smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)OCC ZINC000124564786 187143906 /nfs/dbraw/zinc/14/39/06/187143906.db2.gz BNUNQGWVUNUSOY-CQSZACIVSA-N 2 1 281.400 2.055 10 0 CEAEMP CCOC(C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)OCC ZINC000124564786 187143907 /nfs/dbraw/zinc/14/39/07/187143907.db2.gz BNUNQGWVUNUSOY-CQSZACIVSA-N 2 1 281.400 2.055 10 0 CEAEMP CCc1nn(C)cc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000125523593 187189403 /nfs/dbraw/zinc/18/94/03/187189403.db2.gz QXKYWTPJMLMVNB-DZGCQCFKSA-N 2 1 278.444 2.383 10 0 CEAEMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)[C@H]1C ZINC000725264162 539212685 /nfs/dbraw/zinc/21/26/85/539212685.db2.gz DVYKWJNVEOSJPA-XJFOESAGSA-N 2 1 252.402 2.003 10 0 CEAEMP C[N@H+](Cc1cncc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000621775815 349697788 /nfs/dbraw/zinc/69/77/88/349697788.db2.gz ZOTUJSWWSBLYQT-CYBMUJFWSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1cncc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000621775815 349697791 /nfs/dbraw/zinc/69/77/91/349697791.db2.gz ZOTUJSWWSBLYQT-CYBMUJFWSA-N 2 1 253.777 2.309 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000311659157 344735242 /nfs/dbraw/zinc/73/52/42/344735242.db2.gz NOPHYFBESMBDDB-ZBINZKHDSA-N 2 1 264.344 2.003 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000311659157 344735243 /nfs/dbraw/zinc/73/52/43/344735243.db2.gz NOPHYFBESMBDDB-ZBINZKHDSA-N 2 1 264.344 2.003 10 0 CEAEMP CC(C)c1ccc(C[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399014400 344856197 /nfs/dbraw/zinc/85/61/97/344856197.db2.gz COIOPEGEDHCRTP-UHFFFAOYSA-N 2 1 276.424 2.356 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)C[C@@H](C)n1cc[nH+]c1CC ZINC000085264543 178994891 /nfs/dbraw/zinc/99/48/91/178994891.db2.gz PSBTVLNLMRJZAH-TZMCWYRMSA-N 2 1 253.390 2.147 10 0 CEAEMP CC[C@]1(C)CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000085496402 179082829 /nfs/dbraw/zinc/08/28/29/179082829.db2.gz NNFABEHAWBLIGG-OAHLLOKOSA-N 2 1 264.417 2.044 10 0 CEAEMP CC(C)Cc1nc2c(n1C[C@@H]1CCC[N@@H+](C)C1)CC[NH2+]C2 ZINC000085572755 179097571 /nfs/dbraw/zinc/09/75/71/179097571.db2.gz PCZNTVYKJAQALI-CQSZACIVSA-N 2 1 290.455 2.069 10 0 CEAEMP CCCc1nc2c(n1CC[N@@H+](C)C1CCCC1)CC[NH2+]C2 ZINC000085571691 179096894 /nfs/dbraw/zinc/09/68/94/179096894.db2.gz IOUVULJCUPOEFH-UHFFFAOYSA-N 2 1 290.455 2.356 10 0 CEAEMP CC(C)C[NH+](Cc1cccc(NN)[nH+]1)CC(C)C ZINC000086115808 179233939 /nfs/dbraw/zinc/23/39/39/179233939.db2.gz BRKZJBKQNSEVAC-UHFFFAOYSA-N 2 1 250.390 2.481 10 0 CEAEMP C[NH+](C)CCCC[N@@H+]1CCN[C@H](C2CCCCC2)C1 ZINC000086146702 179238682 /nfs/dbraw/zinc/23/86/82/179238682.db2.gz WYZWHCMNZPKWDZ-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCN[C@H](C2CCCCC2)C1 ZINC000086146702 179238686 /nfs/dbraw/zinc/23/86/86/179238686.db2.gz WYZWHCMNZPKWDZ-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128496932 187374648 /nfs/dbraw/zinc/37/46/48/187374648.db2.gz PZRIMJMREYLXJR-INIZCTEOSA-N 2 1 290.407 2.003 10 0 CEAEMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128496932 187374649 /nfs/dbraw/zinc/37/46/49/187374649.db2.gz PZRIMJMREYLXJR-INIZCTEOSA-N 2 1 290.407 2.003 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171851 179243848 /nfs/dbraw/zinc/24/38/48/179243848.db2.gz JQFLXVCVTCLRTR-NCOADZHNSA-N 2 1 281.488 2.283 10 0 CEAEMP C1CC1[N@H+]1CC[C@@H](N2CC[NH2+][C@@H](C3CCCCC3)C2)C1 ZINC000086145991 179239133 /nfs/dbraw/zinc/23/91/33/179239133.db2.gz GFYDQGPBTCNKRR-IAGOWNOFSA-N 2 1 277.456 2.077 10 0 CEAEMP CC[C@@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086223186 179252007 /nfs/dbraw/zinc/25/20/07/179252007.db2.gz JULHOFGPJNXNKC-NXHRZFHOSA-N 2 1 287.451 2.363 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223121 179252557 /nfs/dbraw/zinc/25/25/57/179252557.db2.gz WYGSVBKYWMXQJS-ZMSDIMECSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@](C)(C3CC3)NC[C@@H]2C)CC1 ZINC000086259142 179258749 /nfs/dbraw/zinc/25/87/49/179258749.db2.gz PQSUMEWGLQZYQA-WMLDXEAASA-N 2 1 279.472 2.181 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)CC1 ZINC000086259142 179258750 /nfs/dbraw/zinc/25/87/50/179258750.db2.gz PQSUMEWGLQZYQA-WMLDXEAASA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260779 179260097 /nfs/dbraw/zinc/26/00/97/179260097.db2.gz UARYKCVBDKFTEL-HUUCEWRRSA-N 2 1 267.461 2.179 10 0 CEAEMP C[N@H+]1CCC[C@@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288917 179264741 /nfs/dbraw/zinc/26/47/41/179264741.db2.gz GHIJUHAMVRKGED-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP CN1CCC[C@@H]([N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288917 179264743 /nfs/dbraw/zinc/26/47/43/179264743.db2.gz GHIJUHAMVRKGED-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP CN1CCC[C@@H]([N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288917 179264745 /nfs/dbraw/zinc/26/47/45/179264745.db2.gz GHIJUHAMVRKGED-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP C[C@H]([C@H]1CCCO1)[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287105 179264933 /nfs/dbraw/zinc/26/49/33/179264933.db2.gz ZJVFJQJVDIADGF-MCIONIFRSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC1(CC)CN(C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086259246 179257499 /nfs/dbraw/zinc/25/74/99/179257499.db2.gz LXLGKFONZYDIKD-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000086293318 179266641 /nfs/dbraw/zinc/26/66/41/179266641.db2.gz CTNONUQHTWWCJL-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP C[NH+](C)CCCCN1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000086293318 179266643 /nfs/dbraw/zinc/26/66/43/179266643.db2.gz CTNONUQHTWWCJL-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086291609 179266864 /nfs/dbraw/zinc/26/68/64/179266864.db2.gz FGUJEBTYRXNOAC-CABCVRRESA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296825 179267982 /nfs/dbraw/zinc/26/79/82/179267982.db2.gz NTUXZXOPSKHQPJ-STQMWFEESA-N 2 1 267.442 2.396 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296825 179267984 /nfs/dbraw/zinc/26/79/84/179267984.db2.gz NTUXZXOPSKHQPJ-STQMWFEESA-N 2 1 267.442 2.396 10 0 CEAEMP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000086293893 179268411 /nfs/dbraw/zinc/26/84/11/179268411.db2.gz LKWMCGZHPCFKKJ-CVEARBPZSA-N 2 1 272.392 2.064 10 0 CEAEMP c1ccc2c(c1)C[C@H](C[N@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000086293893 179268412 /nfs/dbraw/zinc/26/84/12/179268412.db2.gz LKWMCGZHPCFKKJ-CVEARBPZSA-N 2 1 272.392 2.064 10 0 CEAEMP COc1ccc([C@H]2[C@H](C[NH3+])CC[N@@H+]2C)cc1Cl ZINC000086584782 179309441 /nfs/dbraw/zinc/30/94/41/179309441.db2.gz NMHSFPWZQZWGGK-GWCFXTLKSA-N 2 1 254.761 2.300 10 0 CEAEMP COc1ccc([C@H]2[C@H](C[NH3+])CC[N@H+]2C)cc1Cl ZINC000086584782 179309442 /nfs/dbraw/zinc/30/94/42/179309442.db2.gz NMHSFPWZQZWGGK-GWCFXTLKSA-N 2 1 254.761 2.300 10 0 CEAEMP Cc1[nH+]ccn1CCO[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713099 179322615 /nfs/dbraw/zinc/32/26/15/179322615.db2.gz NROKQHFCSLZLRY-GXTWGEPZSA-N 2 1 251.374 2.116 10 0 CEAEMP CC(C)CN(CC(C)C)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819344 179348069 /nfs/dbraw/zinc/34/80/69/179348069.db2.gz PMVJAMRQDSHAIE-MRXNPFEDSA-N 2 1 269.477 2.414 10 0 CEAEMP CC(C)C[NH+](CC(C)C)[C@]1(CN)CCC[N@H+](C)CC1 ZINC000086819344 179348070 /nfs/dbraw/zinc/34/80/70/179348070.db2.gz PMVJAMRQDSHAIE-MRXNPFEDSA-N 2 1 269.477 2.414 10 0 CEAEMP CC(C)C[NH+](CC(C)C)[C@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819344 179348072 /nfs/dbraw/zinc/34/80/72/179348072.db2.gz PMVJAMRQDSHAIE-MRXNPFEDSA-N 2 1 269.477 2.414 10 0 CEAEMP C[NH+](C)C1(CN[C@H]2CCC[N@@H+](C)CC2)CCCCC1 ZINC000086817203 179344619 /nfs/dbraw/zinc/34/46/19/179344619.db2.gz QKXMHQGMQZYDCW-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848642 179356795 /nfs/dbraw/zinc/35/67/95/179356795.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848642 179356797 /nfs/dbraw/zinc/35/67/97/179356797.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848642 179356799 /nfs/dbraw/zinc/35/67/99/179356799.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848642 179356800 /nfs/dbraw/zinc/35/68/00/179356800.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848642 179356802 /nfs/dbraw/zinc/35/68/02/179356802.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC2CC[NH+](C(C)C)CC2)CC1 ZINC000086836806 179351054 /nfs/dbraw/zinc/35/10/54/179351054.db2.gz ZMTFEOQTFABIKN-OAHLLOKOSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000086836806 179351057 /nfs/dbraw/zinc/35/10/57/179351057.db2.gz ZMTFEOQTFABIKN-OAHLLOKOSA-N 3 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000086836806 179351059 /nfs/dbraw/zinc/35/10/59/179351059.db2.gz ZMTFEOQTFABIKN-OAHLLOKOSA-N 3 1 267.461 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836298 179351559 /nfs/dbraw/zinc/35/15/59/179351559.db2.gz NWJXXSYMHHMLRE-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836298 179351560 /nfs/dbraw/zinc/35/15/60/179351560.db2.gz NWJXXSYMHHMLRE-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836298 179351561 /nfs/dbraw/zinc/35/15/61/179351561.db2.gz NWJXXSYMHHMLRE-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836992 179351863 /nfs/dbraw/zinc/35/18/63/179351863.db2.gz HTEVZLVYTRMVDI-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)CC1 ZINC000086837778 179352012 /nfs/dbraw/zinc/35/20/12/179352012.db2.gz DQWMZTQZZODPIZ-HOTGVXAUSA-N 2 1 297.487 2.343 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCCc2c[nH]nc2C)CC1 ZINC000086843819 179352928 /nfs/dbraw/zinc/35/29/28/179352928.db2.gz VECHIAPVTCUARQ-HNNXBMFYSA-N 2 1 264.417 2.115 10 0 CEAEMP CC(C)[C@H](CN(C)C)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842879 179353085 /nfs/dbraw/zinc/35/30/85/179353085.db2.gz BZFFZXPRRGSJGU-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842879 179353087 /nfs/dbraw/zinc/35/30/87/179353087.db2.gz BZFFZXPRRGSJGU-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H](C[NH+](C)C)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842879 179353088 /nfs/dbraw/zinc/35/30/88/179353088.db2.gz BZFFZXPRRGSJGU-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000086842315 179353294 /nfs/dbraw/zinc/35/32/94/179353294.db2.gz SRJSQNZLWDPCTA-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@H](N[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000086842315 179353296 /nfs/dbraw/zinc/35/32/96/179353296.db2.gz SRJSQNZLWDPCTA-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000086842315 179353298 /nfs/dbraw/zinc/35/32/98/179353298.db2.gz SRJSQNZLWDPCTA-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000086842315 179353299 /nfs/dbraw/zinc/35/32/99/179353299.db2.gz SRJSQNZLWDPCTA-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000086842315 179353301 /nfs/dbraw/zinc/35/33/01/179353301.db2.gz SRJSQNZLWDPCTA-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842124 179353827 /nfs/dbraw/zinc/35/38/27/179353827.db2.gz FEIHAOBTFBMJCY-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846274 179354631 /nfs/dbraw/zinc/35/46/31/179354631.db2.gz MJSDICDNMCXQEN-HNNXBMFYSA-N 2 1 253.434 2.066 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846274 179354632 /nfs/dbraw/zinc/35/46/32/179354632.db2.gz MJSDICDNMCXQEN-HNNXBMFYSA-N 2 1 253.434 2.066 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846274 179354635 /nfs/dbraw/zinc/35/46/35/179354635.db2.gz MJSDICDNMCXQEN-HNNXBMFYSA-N 2 1 253.434 2.066 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851081 179359743 /nfs/dbraw/zinc/35/97/43/179359743.db2.gz AQCATMUGYGMCEI-GDBMZVCRSA-N 3 1 267.461 2.309 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851079 179359934 /nfs/dbraw/zinc/35/99/34/179359934.db2.gz AQCATMUGYGMCEI-ZBFHGGJFSA-N 3 1 267.461 2.309 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CC2(O)CCCCC2)CC1 ZINC000087018108 179380371 /nfs/dbraw/zinc/38/03/71/179380371.db2.gz PPWQCICHAGPNFX-AWEZNQCLSA-N 2 1 254.418 2.146 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566058 180005837 /nfs/dbraw/zinc/00/58/37/180005837.db2.gz WEQWSSBVHFYNRC-LXTVHRRPSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000090715012 180029435 /nfs/dbraw/zinc/02/94/35/180029435.db2.gz KEORQOCWMQAURD-LXTVHRRPSA-N 2 1 252.402 2.018 10 0 CEAEMP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000090715012 180029439 /nfs/dbraw/zinc/02/94/39/180029439.db2.gz KEORQOCWMQAURD-LXTVHRRPSA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893528 180055303 /nfs/dbraw/zinc/05/53/03/180055303.db2.gz DBYUWMGQAZEMAV-CJNGLKHVSA-N 2 1 292.398 2.451 10 0 CEAEMP CC[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893528 180055306 /nfs/dbraw/zinc/05/53/06/180055306.db2.gz DBYUWMGQAZEMAV-CJNGLKHVSA-N 2 1 292.398 2.451 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)O2 ZINC000090897792 180057111 /nfs/dbraw/zinc/05/71/11/180057111.db2.gz JKFXVVHYAHRGNL-GDBMZVCRSA-N 2 1 274.408 2.230 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)O2 ZINC000090897793 180057220 /nfs/dbraw/zinc/05/72/20/180057220.db2.gz JKFXVVHYAHRGNL-ZBFHGGJFSA-N 2 1 274.408 2.230 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000090960503 180075533 /nfs/dbraw/zinc/07/55/33/180075533.db2.gz JNOQTSMGAPBOPW-LBPRGKRZSA-N 2 1 281.425 2.138 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000090960503 180075534 /nfs/dbraw/zinc/07/55/34/180075534.db2.gz JNOQTSMGAPBOPW-LBPRGKRZSA-N 2 1 281.425 2.138 10 0 CEAEMP c1[nH]c2ncccc2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091017014 180086884 /nfs/dbraw/zinc/08/68/84/180086884.db2.gz FCHSKCOSKKLJKG-LBPRGKRZSA-N 2 1 270.380 2.137 10 0 CEAEMP CC(C)[NH2+]Cc1cn(Cc2c[nH+]cn2C)c2ncccc12 ZINC000091020424 180087837 /nfs/dbraw/zinc/08/78/37/180087837.db2.gz HEEVDULIZMGHHT-UHFFFAOYSA-N 2 1 283.379 2.316 10 0 CEAEMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019708 180088294 /nfs/dbraw/zinc/08/82/94/180088294.db2.gz ZIKCNQZROGGSMR-CYBMUJFWSA-N 2 1 258.369 2.266 10 0 CEAEMP COC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000091362940 180142452 /nfs/dbraw/zinc/14/24/52/180142452.db2.gz ZIVAAUQBFNDFBB-UGUYLWEFSA-N 2 1 266.429 2.266 10 0 CEAEMP COC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000091362940 180142453 /nfs/dbraw/zinc/14/24/53/180142453.db2.gz ZIVAAUQBFNDFBB-UGUYLWEFSA-N 2 1 266.429 2.266 10 0 CEAEMP CCC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275381 180118780 /nfs/dbraw/zinc/11/87/80/180118780.db2.gz GMNOQZIMECXUNW-IUODEOHRSA-N 2 1 262.401 2.340 10 0 CEAEMP C[N@H+](CCc1ccccc1)CC[C@@H]1CSCC[NH2+]1 ZINC000091292362 180123737 /nfs/dbraw/zinc/12/37/37/180123737.db2.gz NDAKKAVIUWBLFW-OAHLLOKOSA-N 2 1 264.438 2.256 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)CC2CC(O)C2)CCCC1 ZINC000091499232 180174193 /nfs/dbraw/zinc/17/41/93/180174193.db2.gz QWHHSMRASSPTSP-UHFFFAOYSA-N 2 1 282.472 2.495 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000091404606 180146868 /nfs/dbraw/zinc/14/68/68/180146868.db2.gz QHAMLCMGLLNKFM-ZIAGYGMSSA-N 2 1 256.434 2.248 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000091404611 180147611 /nfs/dbraw/zinc/14/76/11/180147611.db2.gz KRRZZQQVMCAAHJ-HUUCEWRRSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@](C)(CC)N(C)C ZINC000091571799 180196205 /nfs/dbraw/zinc/19/62/05/180196205.db2.gz HXEBXYUBJYJXQB-CVEARBPZSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1ccc[nH+]c1N ZINC000091573221 180196224 /nfs/dbraw/zinc/19/62/24/180196224.db2.gz CNDKRFHGYHGBOX-UKRRQHHQSA-N 2 1 265.401 2.078 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1ncnn1C(C)C)[NH2+]C)[NH+]1CCCC1 ZINC000091607026 180204268 /nfs/dbraw/zinc/20/42/68/180204268.db2.gz DRSIPJOFJCNQDP-ZBFHGGJFSA-N 2 1 293.459 2.254 10 0 CEAEMP CC[C@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCCC1 ZINC000091609682 180206014 /nfs/dbraw/zinc/20/60/14/180206014.db2.gz XSKMDPSOOPTRCT-IAGOWNOFSA-N 2 1 290.455 2.449 10 0 CEAEMP COc1ccc(C)cc1C[C@H]([NH3+])C(C)(C)[NH+](C)C ZINC000091528349 180179585 /nfs/dbraw/zinc/17/95/85/180179585.db2.gz HLWZVXJPSHKOJR-AWEZNQCLSA-N 2 1 250.386 2.214 10 0 CEAEMP CCC[NH2+][C@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091717021 180232968 /nfs/dbraw/zinc/23/29/68/180232968.db2.gz MDWLIPFXHLDSEG-CQSZACIVSA-N 2 1 264.417 2.436 10 0 CEAEMP CCC[NH2+][C@H](CC1CCOCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722111 180239628 /nfs/dbraw/zinc/23/96/28/180239628.db2.gz SACBYFHZWWYSOE-BRWVUGGUSA-N 2 1 296.455 2.035 10 0 CEAEMP CCC[NH2+][C@H](CC1CCOCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722111 180239630 /nfs/dbraw/zinc/23/96/30/180239630.db2.gz SACBYFHZWWYSOE-BRWVUGGUSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[NH2+][C@H](CC1CCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721563 180237980 /nfs/dbraw/zinc/23/79/80/180237980.db2.gz BNFQFJCZIKIREB-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[NH2+][C@H](CC1CCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721563 180237981 /nfs/dbraw/zinc/23/79/81/180237981.db2.gz BNFQFJCZIKIREB-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CN2CCC1CC2 ZINC000091851724 180272783 /nfs/dbraw/zinc/27/27/83/180272783.db2.gz XLAMLTYKYYSTMO-UYSNPLJNSA-N 2 1 265.445 2.063 10 0 CEAEMP CCC[N@@H+]([C@@H](C)CC(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852554 180272885 /nfs/dbraw/zinc/27/28/85/180272885.db2.gz JXFGGSOJEZCBQO-HSBZDZAISA-N 2 1 270.417 2.310 10 0 CEAEMP CCC[N@@H+](CC1CCOCC1)C1CCC([NH3+])CC1 ZINC000091851661 180273076 /nfs/dbraw/zinc/27/30/76/180273076.db2.gz ZXDJKQOOXMKVHX-UHFFFAOYSA-N 2 1 254.418 2.395 10 0 CEAEMP CCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850409 180271744 /nfs/dbraw/zinc/27/17/44/180271744.db2.gz GWMIKYRZHIGUKQ-GJROSEKXSA-N 2 1 295.471 2.366 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)NCC(C)C)CC1 ZINC000091870204 180276962 /nfs/dbraw/zinc/27/69/62/180276962.db2.gz XRFZZUABRUMYIK-QQFBHYJXSA-N 2 1 297.487 2.390 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000091870446 180277491 /nfs/dbraw/zinc/27/74/91/180277491.db2.gz RMAUFOAYGAMGIZ-FHERZECASA-N 2 1 295.471 2.240 10 0 CEAEMP CC[NH2+]Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)o1 ZINC000092003529 180304681 /nfs/dbraw/zinc/30/46/81/180304681.db2.gz KRWWJEFCCNDPJW-CVEARBPZSA-N 2 1 291.439 2.366 10 0 CEAEMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092082119 180319851 /nfs/dbraw/zinc/31/98/51/180319851.db2.gz MZKRDAUHQNFREG-XQQFMLRXSA-N 2 1 275.396 2.060 10 0 CEAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092262360 180355167 /nfs/dbraw/zinc/35/51/67/180355167.db2.gz OVVJNPIELDDDAU-STQMWFEESA-N 2 1 275.421 2.351 10 0 CEAEMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300578 180358482 /nfs/dbraw/zinc/35/84/82/180358482.db2.gz LNMFXYCNZVTKFQ-UONOGXRCSA-N 2 1 262.397 2.483 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092324907 180362509 /nfs/dbraw/zinc/36/25/09/180362509.db2.gz QVZTUNMDRCOANQ-OAHLLOKOSA-N 2 1 278.444 2.391 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092324907 180362510 /nfs/dbraw/zinc/36/25/10/180362510.db2.gz QVZTUNMDRCOANQ-OAHLLOKOSA-N 2 1 278.444 2.391 10 0 CEAEMP CCCNc1cc[nH+]c(CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000092419231 180382389 /nfs/dbraw/zinc/38/23/89/180382389.db2.gz LYGZOFOKBKNVSE-UHFFFAOYSA-N 2 1 276.428 2.430 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000092623170 180416849 /nfs/dbraw/zinc/41/68/49/180416849.db2.gz IRORHINOTNDOJQ-IIAWOOMASA-N 2 1 279.428 2.392 10 0 CEAEMP COc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H](C)C2)c(OC)c1 ZINC000109555060 186262521 /nfs/dbraw/zinc/26/25/21/186262521.db2.gz CMFLEFUEEGXQAI-CYBMUJFWSA-N 2 1 278.396 2.135 10 0 CEAEMP COc1ccc(C[N@H+]2CCC[NH2+]C[C@@H](C)C2)c(OC)c1 ZINC000109555060 186262522 /nfs/dbraw/zinc/26/25/22/186262522.db2.gz CMFLEFUEEGXQAI-CYBMUJFWSA-N 2 1 278.396 2.135 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555068 186263202 /nfs/dbraw/zinc/26/32/02/186263202.db2.gz DFGOXAHZKVUVOF-OKILXGFUSA-N 2 1 292.423 2.381 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555068 186263204 /nfs/dbraw/zinc/26/32/04/186263204.db2.gz DFGOXAHZKVUVOF-OKILXGFUSA-N 2 1 292.423 2.381 10 0 CEAEMP CCC[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000110459641 186297097 /nfs/dbraw/zinc/29/70/97/186297097.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 2 1 279.428 2.163 10 0 CEAEMP C[C@H]([NH3+])C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110645183 186308528 /nfs/dbraw/zinc/30/85/28/186308528.db2.gz WBAWXJHIVJHQLY-YJBOKZPZSA-N 2 1 287.451 2.320 10 0 CEAEMP C[C@H]([NH3+])C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110645183 186308530 /nfs/dbraw/zinc/30/85/30/186308530.db2.gz WBAWXJHIVJHQLY-YJBOKZPZSA-N 2 1 287.451 2.320 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)CC2)on1 ZINC000110812636 186326437 /nfs/dbraw/zinc/32/64/37/186326437.db2.gz CCUQSCAFUXKSCM-LBPRGKRZSA-N 2 1 251.374 2.406 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000110977967 186339388 /nfs/dbraw/zinc/33/93/88/186339388.db2.gz PSMZTGQGQLOPKQ-CJNGLKHVSA-N 2 1 279.403 2.017 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC[N@H+]1C ZINC000110710139 186315570 /nfs/dbraw/zinc/31/55/70/186315570.db2.gz OKSVPHYTXRWTFD-ZBFHGGJFSA-N 2 1 279.403 2.160 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(OC)c(CN2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000110713265 186315580 /nfs/dbraw/zinc/31/55/80/186315580.db2.gz QFLYHUWIBKMJOL-UONOGXRCSA-N 2 1 291.439 2.112 10 0 CEAEMP CC[C@@H]1CN(CC(CC)(CC)C[NH2+]C)CC[N@H+]1C ZINC000110746648 186318446 /nfs/dbraw/zinc/31/84/46/186318446.db2.gz HGALBVYCSVUIHS-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@H]1C[N@H+](CC(CC)(CC)C[NH2+]C)CCN1C ZINC000110746648 186318448 /nfs/dbraw/zinc/31/84/48/186318448.db2.gz HGALBVYCSVUIHS-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@H]1C[N@@H+](CC(CC)(CC)C[NH2+]C)CCN1C ZINC000110746648 186318449 /nfs/dbraw/zinc/31/84/49/186318449.db2.gz HGALBVYCSVUIHS-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCN(C[C@@H]2CCCCC[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110745459 186319284 /nfs/dbraw/zinc/31/92/84/186319284.db2.gz DVYONGGJVFYURS-JYJNAYRXSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754704 186320321 /nfs/dbraw/zinc/32/03/21/186320321.db2.gz VGKRXNMHEJPVDN-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@H+]1C ZINC000110753590 186320731 /nfs/dbraw/zinc/32/07/31/186320731.db2.gz CFYRIYSUBRVJBQ-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CCC[NH2+]C[C@@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755114 186321326 /nfs/dbraw/zinc/32/13/26/186321326.db2.gz GVVDLJRRMFVHLG-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CCCc1nc(N2CC[N@@H+](C)C(C)(C)C2)sc1C[NH3+] ZINC000110760348 186322389 /nfs/dbraw/zinc/32/23/89/186322389.db2.gz LGPOEXYYHNNFJB-UHFFFAOYSA-N 2 1 282.457 2.085 10 0 CEAEMP CC[C@@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@H+]1C ZINC000110760233 186322911 /nfs/dbraw/zinc/32/29/11/186322911.db2.gz KBBQACVXTPDVBL-LLVKDONJSA-N 2 1 296.484 2.430 10 0 CEAEMP Cc1nc(N2CC[N@@H+](C)C(C)(C)C2)sc1C[NH2+]C(C)C ZINC000110760369 186323845 /nfs/dbraw/zinc/32/38/45/186323845.db2.gz NGTJQVFOLPSNRT-UHFFFAOYSA-N 2 1 296.484 2.480 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)CCCCC[NH2+]C(C)(C)C ZINC000111150481 186361172 /nfs/dbraw/zinc/36/11/72/186361172.db2.gz OBGWDTHDFMEPDM-UHFFFAOYSA-N 3 1 257.466 2.428 10 0 CEAEMP CN(C)CCC[N@H+](C)CCCCC[NH2+]C(C)(C)C ZINC000111150481 186361174 /nfs/dbraw/zinc/36/11/74/186361174.db2.gz OBGWDTHDFMEPDM-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP CN(C)CCC[N@@H+](C)CCCCC[NH2+]C(C)(C)C ZINC000111150481 186361176 /nfs/dbraw/zinc/36/11/76/186361176.db2.gz OBGWDTHDFMEPDM-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111123154 186354493 /nfs/dbraw/zinc/35/44/93/186354493.db2.gz ZTERCGYKPWHPCR-INIZCTEOSA-N 2 1 286.460 2.140 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CC)CCOCC)o1 ZINC000111123764 186354803 /nfs/dbraw/zinc/35/48/03/186354803.db2.gz MWTCUWLXMQRTBF-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@H+](C)CCN(C)C)c1 ZINC000111149789 186360272 /nfs/dbraw/zinc/36/02/72/186360272.db2.gz RBAUOSIXWXRMRB-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@@H+](C)CCN(C)C)c1 ZINC000111149789 186360274 /nfs/dbraw/zinc/36/02/74/186360274.db2.gz RBAUOSIXWXRMRB-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CC)CCOCC)CCCOC1 ZINC000111329796 186399533 /nfs/dbraw/zinc/39/95/33/186399533.db2.gz URVHJQCGTFGTRT-MRXNPFEDSA-N 2 1 286.460 2.141 10 0 CEAEMP CO[C@@H]1C[N@H+](Cc2cc(C)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630358534 351710747 /nfs/dbraw/zinc/71/07/47/351710747.db2.gz BMYGDTDQNBNWER-JKSUJKDBSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630358534 351710749 /nfs/dbraw/zinc/71/07/49/351710749.db2.gz BMYGDTDQNBNWER-JKSUJKDBSA-N 2 1 262.397 2.242 10 0 CEAEMP C[C@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccccc2)CC[N@H+]1C ZINC000129854480 291084139 /nfs/dbraw/zinc/08/41/39/291084139.db2.gz IXNRRRANGGKUPG-XIRDDKMYSA-N 2 1 275.440 2.362 10 0 CEAEMP CCC[N@H+](CC)CC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248978907 283173354 /nfs/dbraw/zinc/17/33/54/283173354.db2.gz IIRGUVSUXUSJAM-JKSUJKDBSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[N@@H+](CC)CC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248978907 283173356 /nfs/dbraw/zinc/17/33/56/283173356.db2.gz IIRGUVSUXUSJAM-JKSUJKDBSA-N 2 1 298.471 2.282 10 0 CEAEMP [NH3+]C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000041162084 283488000 /nfs/dbraw/zinc/48/80/00/283488000.db2.gz SQCOIZMHXFZHBA-LLVKDONJSA-N 2 1 277.755 2.052 10 0 CEAEMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Br)c1 ZINC000095072267 364332249 /nfs/dbraw/zinc/33/22/49/364332249.db2.gz QDBBYYBANVQLMT-WDEREUQCSA-N 2 1 284.201 2.204 10 0 CEAEMP C[NH+](C)[C@H]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000159181317 366885534 /nfs/dbraw/zinc/88/55/34/366885534.db2.gz OKWSCTRYKFTLLR-KRWDZBQOSA-N 2 1 293.430 2.284 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C=CCCC2)CC1 ZINC000171746267 367608006 /nfs/dbraw/zinc/60/80/06/367608006.db2.gz YWDLMEJQBMBKFW-HOCLYGCPSA-N 2 1 266.429 2.120 10 0 CEAEMP C[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC000182026403 368516594 /nfs/dbraw/zinc/51/65/94/368516594.db2.gz QKQGWDPRNOVQRK-NVXWUHKLSA-N 2 1 276.424 2.128 10 0 CEAEMP C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@H](CN(C)C)C1 ZINC000182026403 368516598 /nfs/dbraw/zinc/51/65/98/368516598.db2.gz QKQGWDPRNOVQRK-NVXWUHKLSA-N 2 1 276.424 2.128 10 0 CEAEMP c1ccc(C[N@H+]2CCCCC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000635023068 369059467 /nfs/dbraw/zinc/05/94/67/369059467.db2.gz RLMADAWTROWQGQ-QZTJIDSGSA-N 2 1 287.451 2.383 10 0 CEAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000358259122 370977745 /nfs/dbraw/zinc/97/77/45/370977745.db2.gz UIZDSTFWNIHYRX-LZWOXQAQSA-N 2 1 268.445 2.248 10 0 CEAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000358259122 370977749 /nfs/dbraw/zinc/97/77/49/370977749.db2.gz UIZDSTFWNIHYRX-LZWOXQAQSA-N 2 1 268.445 2.248 10 0 CEAEMP Cc1ncsc1CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670198 370487818 /nfs/dbraw/zinc/48/78/18/370487818.db2.gz YQIMMLCKKWSHBH-GFCCVEGCSA-N 2 1 253.415 2.068 10 0 CEAEMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1O ZINC000234991202 370553404 /nfs/dbraw/zinc/55/34/04/370553404.db2.gz ZHGAMUNGEIQJHQ-AWEZNQCLSA-N 2 1 290.407 2.365 10 0 CEAEMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246811776 371015777 /nfs/dbraw/zinc/01/57/77/371015777.db2.gz AAGSHQIDJUBZII-KBPBESRZSA-N 2 1 291.395 2.157 10 0 CEAEMP CCOC(=O)[C@H](CC)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246811776 371015780 /nfs/dbraw/zinc/01/57/80/371015780.db2.gz AAGSHQIDJUBZII-KBPBESRZSA-N 2 1 291.395 2.157 10 0 CEAEMP CO[C@@H](C)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000248432187 371194033 /nfs/dbraw/zinc/19/40/33/371194033.db2.gz QGBOSHYIJFGFOQ-UONOGXRCSA-N 2 1 263.385 2.159 10 0 CEAEMP CO[C@@H](C)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000248432187 371194039 /nfs/dbraw/zinc/19/40/39/371194039.db2.gz QGBOSHYIJFGFOQ-UONOGXRCSA-N 2 1 263.385 2.159 10 0 CEAEMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261705939 371706327 /nfs/dbraw/zinc/70/63/27/371706327.db2.gz IYYWYKYXPCFQIV-ARFHVFGLSA-N 2 1 274.408 2.351 10 0 CEAEMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261790676 371734272 /nfs/dbraw/zinc/73/42/72/371734272.db2.gz XRYKCXUINUDMQV-JQFCIGGWSA-N 2 1 290.407 2.133 10 0 CEAEMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261640506 371687875 /nfs/dbraw/zinc/68/78/75/371687875.db2.gz AGMAXEKCMVYKTL-GXTWGEPZSA-N 2 1 290.411 2.126 10 0 CEAEMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261640506 371687885 /nfs/dbraw/zinc/68/78/85/371687885.db2.gz AGMAXEKCMVYKTL-GXTWGEPZSA-N 2 1 290.411 2.126 10 0 CEAEMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261640512 371688502 /nfs/dbraw/zinc/68/85/02/371688502.db2.gz AGMAXEKCMVYKTL-OCCSQVGLSA-N 2 1 290.411 2.126 10 0 CEAEMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261640512 371688511 /nfs/dbraw/zinc/68/85/11/371688511.db2.gz AGMAXEKCMVYKTL-OCCSQVGLSA-N 2 1 290.411 2.126 10 0 CEAEMP Cc1nn(C(C)C)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261970110 371786537 /nfs/dbraw/zinc/78/65/37/371786537.db2.gz QFCLMYYCBDEMHM-HNNXBMFYSA-N 2 1 264.417 2.346 10 0 CEAEMP Cc1nn(C(C)C)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261970110 371786541 /nfs/dbraw/zinc/78/65/41/371786541.db2.gz QFCLMYYCBDEMHM-HNNXBMFYSA-N 2 1 264.417 2.346 10 0 CEAEMP C[N@@H+](CC1CCC(C[NH3+])CC1)C[C@H]1CCCOC1 ZINC000093426438 184674026 /nfs/dbraw/zinc/67/40/26/184674026.db2.gz CCPCIEGCXLMHLW-YMAMQOFZSA-N 2 1 254.418 2.110 10 0 CEAEMP C[C@H](CCC1CC1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000186269865 270249406 /nfs/dbraw/zinc/24/94/06/270249406.db2.gz GOZRDEUDFMQGML-HIFRSBDPSA-N 2 1 254.418 2.002 10 0 CEAEMP CCC[NH2+][C@@H](C)CCCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000094459637 184803940 /nfs/dbraw/zinc/80/39/40/184803940.db2.gz WTSBOPRIFDNJDP-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)C[C@@H](C[NH3+])CC[N@@H+](C)CCOCC1CC1 ZINC000094989970 184910737 /nfs/dbraw/zinc/91/07/37/184910737.db2.gz VIHMVLPBLIUMOP-HNNXBMFYSA-N 2 1 256.434 2.356 10 0 CEAEMP C[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511188 533547516 /nfs/dbraw/zinc/54/75/16/533547516.db2.gz FNOAMRUZERRZRU-LMSBXDPUSA-N 2 1 287.451 2.095 10 0 CEAEMP C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511188 533547519 /nfs/dbraw/zinc/54/75/19/533547519.db2.gz FNOAMRUZERRZRU-LMSBXDPUSA-N 2 1 287.451 2.095 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086819233 135048660 /nfs/dbraw/zinc/04/86/60/135048660.db2.gz YCRIONBOVCRCRS-KRWDZBQOSA-N 2 1 273.424 2.252 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000093068597 135079040 /nfs/dbraw/zinc/07/90/40/135079040.db2.gz NSXMVKVPKOQDGX-HUUCEWRRSA-N 2 1 291.439 2.061 10 0 CEAEMP CCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000168639821 162366993 /nfs/dbraw/zinc/36/69/93/162366993.db2.gz QQTDSRSFUXGIOQ-KBPBESRZSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000175054917 165124187 /nfs/dbraw/zinc/12/41/87/165124187.db2.gz RVVBDSTYCHGDGB-JKSUJKDBSA-N 2 1 265.445 2.031 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000178330335 165232991 /nfs/dbraw/zinc/23/29/91/165232991.db2.gz UVHRQKPMIOSVGS-GFCCVEGCSA-N 2 1 291.317 2.235 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000178330335 165232994 /nfs/dbraw/zinc/23/29/94/165232994.db2.gz UVHRQKPMIOSVGS-GFCCVEGCSA-N 2 1 291.317 2.235 10 0 CEAEMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1C[NH3+] ZINC000020030306 170973873 /nfs/dbraw/zinc/97/38/73/170973873.db2.gz NAEADXAQAZGBHG-UHFFFAOYSA-N 2 1 272.352 2.104 10 0 CEAEMP CCN1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000020128568 171015243 /nfs/dbraw/zinc/01/52/43/171015243.db2.gz HDOHQHSDGVJQQB-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC(NCc2ccccc2C[NH+](C)C)CC1 ZINC000020128568 171015244 /nfs/dbraw/zinc/01/52/44/171015244.db2.gz HDOHQHSDGVJQQB-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000020365739 171164188 /nfs/dbraw/zinc/16/41/88/171164188.db2.gz CDQUXARRIBOTJU-CYBMUJFWSA-N 2 1 271.449 2.001 10 0 CEAEMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000022156349 171362412 /nfs/dbraw/zinc/36/24/12/171362412.db2.gz WZBCGDVEPRKQBZ-OLZOCXBDSA-N 2 1 275.396 2.204 10 0 CEAEMP CN(C1CCCCC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000035221790 172064382 /nfs/dbraw/zinc/06/43/82/172064382.db2.gz SVZNHRNKBUUOCC-XYPWUTKMSA-N 2 1 265.445 2.205 10 0 CEAEMP C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000038041946 174044233 /nfs/dbraw/zinc/04/42/33/174044233.db2.gz IOWMQIOULGGFNY-GVDBMIGSSA-N 2 1 281.488 2.428 10 0 CEAEMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000038041946 174044236 /nfs/dbraw/zinc/04/42/36/174044236.db2.gz IOWMQIOULGGFNY-GVDBMIGSSA-N 3 1 281.488 2.428 10 0 CEAEMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000038041946 174044239 /nfs/dbraw/zinc/04/42/39/174044239.db2.gz IOWMQIOULGGFNY-GVDBMIGSSA-N 3 1 281.488 2.428 10 0 CEAEMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@H+](C)C1 ZINC000040667121 174366135 /nfs/dbraw/zinc/36/61/35/174366135.db2.gz UIGPRUDLOKWPHC-OCCSQVGLSA-N 2 1 276.380 2.235 10 0 CEAEMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@@H+](C)C1 ZINC000040667121 174366136 /nfs/dbraw/zinc/36/61/36/174366136.db2.gz UIGPRUDLOKWPHC-OCCSQVGLSA-N 2 1 276.380 2.235 10 0 CEAEMP CC[N@@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747395 174392477 /nfs/dbraw/zinc/39/24/77/174392477.db2.gz KCJJKXQAQINYOX-YIONKMFJSA-N 2 1 260.381 2.497 10 0 CEAEMP CC[N@H+](Cc1c(C)nn(C)c1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747547 174392771 /nfs/dbraw/zinc/39/27/71/174392771.db2.gz OUKXUNWECVEEEP-YIONKMFJSA-N 2 1 276.428 2.142 10 0 CEAEMP CC[N@@H+](Cc1c(C)nn(C)c1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747547 174392772 /nfs/dbraw/zinc/39/27/72/174392772.db2.gz OUKXUNWECVEEEP-YIONKMFJSA-N 2 1 276.428 2.142 10 0 CEAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390205 175033925 /nfs/dbraw/zinc/03/39/25/175033925.db2.gz FLHYNXJEPPQMFL-AWEZNQCLSA-N 2 1 285.794 2.116 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907415 175123215 /nfs/dbraw/zinc/12/32/15/175123215.db2.gz WLCPKPSGXISEPN-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CCCOC)CCOC ZINC000043971098 175131741 /nfs/dbraw/zinc/13/17/41/175131741.db2.gz TXAWJHPGWJBNPZ-HOTGVXAUSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043971098 175131742 /nfs/dbraw/zinc/13/17/42/175131742.db2.gz TXAWJHPGWJBNPZ-HOTGVXAUSA-N 2 1 286.460 2.282 10 0 CEAEMP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970877 175131999 /nfs/dbraw/zinc/13/19/99/175131999.db2.gz VHBUWDMTJVWJHX-HOTGVXAUSA-N 2 1 286.460 2.282 10 0 CEAEMP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970877 175132000 /nfs/dbraw/zinc/13/20/00/175132000.db2.gz VHBUWDMTJVWJHX-HOTGVXAUSA-N 2 1 286.460 2.282 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272017 175343141 /nfs/dbraw/zinc/34/31/41/175343141.db2.gz ZEUVRHPIVATGHI-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045272017 175343142 /nfs/dbraw/zinc/34/31/42/175343142.db2.gz ZEUVRHPIVATGHI-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045372451 175365030 /nfs/dbraw/zinc/36/50/30/175365030.db2.gz NZINGGDKVCPFBJ-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045382154 175370218 /nfs/dbraw/zinc/37/02/18/175370218.db2.gz GQCGUCSAAIQWHW-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045382154 175370220 /nfs/dbraw/zinc/37/02/20/175370220.db2.gz GQCGUCSAAIQWHW-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045386864 175372906 /nfs/dbraw/zinc/37/29/06/175372906.db2.gz KAJJTHZFPCFMGO-AWEZNQCLSA-N 2 1 258.406 2.169 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045386962 175372993 /nfs/dbraw/zinc/37/29/93/175372993.db2.gz FKMQOKQLQIXMBT-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[C@@H](c1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148693 176044584 /nfs/dbraw/zinc/04/45/84/176044584.db2.gz AEMUPXFFKMFYAE-KRWDZBQOSA-N 2 1 275.440 2.365 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000071150326 176045275 /nfs/dbraw/zinc/04/52/75/176045275.db2.gz KJINDTLDKFCLDQ-UHFFFAOYSA-N 2 1 291.483 2.040 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000071161679 176046864 /nfs/dbraw/zinc/04/68/64/176046864.db2.gz YHGFTGBQXCWXIA-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000071161679 176046866 /nfs/dbraw/zinc/04/68/66/176046866.db2.gz YHGFTGBQXCWXIA-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP CC(C)CC[C@@](C)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188550 176062714 /nfs/dbraw/zinc/06/27/14/176062714.db2.gz SJGLPAXJFNEULY-CABCVRRESA-N 2 1 255.450 2.024 10 0 CEAEMP C[C@@H](c1ccccc1)[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188406 176062851 /nfs/dbraw/zinc/06/28/51/176062851.db2.gz QMWMPRLWQGNLAY-UXLLHSPISA-N 2 1 275.440 2.001 10 0 CEAEMP CCCC(C[NH3+])(CCC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188580 176063564 /nfs/dbraw/zinc/06/35/64/176063564.db2.gz VHCIWPXAYWXDNR-CQSZACIVSA-N 2 1 255.450 2.168 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccccc1C[NH2+]C1CC1 ZINC000071190025 176066011 /nfs/dbraw/zinc/06/60/11/176066011.db2.gz FYELVKRCJKCWKS-AWEZNQCLSA-N 2 1 273.424 2.327 10 0 CEAEMP Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190636 176068407 /nfs/dbraw/zinc/06/84/07/176068407.db2.gz JCXQXWZLTWSLCL-UXLLHSPISA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190636 176068408 /nfs/dbraw/zinc/06/84/08/176068408.db2.gz JCXQXWZLTWSLCL-UXLLHSPISA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190636 176068410 /nfs/dbraw/zinc/06/84/10/176068410.db2.gz JCXQXWZLTWSLCL-UXLLHSPISA-N 2 1 276.424 2.300 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191381 176070613 /nfs/dbraw/zinc/07/06/13/176070613.db2.gz YSZJRHVRDJCJBL-ZACQAIPSSA-N 2 1 281.488 2.428 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000071191668 176071180 /nfs/dbraw/zinc/07/11/80/176071180.db2.gz ZPRFHXMAGCVKHK-OAHLLOKOSA-N 2 1 290.455 2.358 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191846 176072501 /nfs/dbraw/zinc/07/25/01/176072501.db2.gz ZHPQNELROZSATA-HZPDHXFCSA-N 3 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191846 176072502 /nfs/dbraw/zinc/07/25/02/176072502.db2.gz ZHPQNELROZSATA-HZPDHXFCSA-N 3 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191846 176072503 /nfs/dbraw/zinc/07/25/03/176072503.db2.gz ZHPQNELROZSATA-HZPDHXFCSA-N 3 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191846 176072504 /nfs/dbraw/zinc/07/25/04/176072504.db2.gz ZHPQNELROZSATA-HZPDHXFCSA-N 2 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191846 176072505 /nfs/dbraw/zinc/07/25/05/176072505.db2.gz ZHPQNELROZSATA-HZPDHXFCSA-N 2 1 269.477 2.284 10 0 CEAEMP Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192040 176072647 /nfs/dbraw/zinc/07/26/47/176072647.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 2 1 291.439 2.224 10 0 CEAEMP CCC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192072 176073008 /nfs/dbraw/zinc/07/30/08/176073008.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 2 1 293.455 2.471 10 0 CEAEMP CCC(CC)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192309 176073915 /nfs/dbraw/zinc/07/39/15/176073915.db2.gz XHMSNTHOTSETMQ-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1cccc2cccnc21 ZINC000071224735 176089060 /nfs/dbraw/zinc/08/90/60/176089060.db2.gz IPHUIVODHDUYSP-UHFFFAOYSA-N 2 1 273.380 2.032 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250543 176094875 /nfs/dbraw/zinc/09/48/75/176094875.db2.gz AKGBGQSFIGVNTO-IAQYHMDHSA-N 2 1 266.360 2.284 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250543 176094877 /nfs/dbraw/zinc/09/48/77/176094877.db2.gz AKGBGQSFIGVNTO-IAQYHMDHSA-N 2 1 266.360 2.284 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1CCO ZINC000071250002 176095115 /nfs/dbraw/zinc/09/51/15/176095115.db2.gz NRHFOYVLWOFCTB-HNNXBMFYSA-N 2 1 266.360 2.021 10 0 CEAEMP CC(C)[NH+]1CCN(CCCCCC[NH2+]C2CC2)CC1 ZINC000071288086 176110218 /nfs/dbraw/zinc/11/02/18/176110218.db2.gz HJRPNDSPYWAPOQ-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C[N@@H+](C)C[C@@H](C)O ZINC000079672138 177534829 /nfs/dbraw/zinc/53/48/29/177534829.db2.gz ANQONVNAJRUCMM-QLFBSQMISA-N 2 1 270.461 2.494 10 0 CEAEMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000398004122 270355471 /nfs/dbraw/zinc/35/54/71/270355471.db2.gz PMLAXQPBBDPLNT-IAGOWNOFSA-N 2 1 275.440 2.095 10 0 CEAEMP CC(C)[N@@H+]1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713566 519690142 /nfs/dbraw/zinc/69/01/42/519690142.db2.gz QJNDPCPFEIAUEC-UHFFFAOYSA-N 2 1 251.399 2.248 10 0 CEAEMP CC(C)[N@H+]1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713566 519690145 /nfs/dbraw/zinc/69/01/45/519690145.db2.gz QJNDPCPFEIAUEC-UHFFFAOYSA-N 2 1 251.399 2.248 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C)OC(C)(C)C2)O1 ZINC000052543603 519725773 /nfs/dbraw/zinc/72/57/73/519725773.db2.gz VGOLSGUOJOJILS-KFWWJZLASA-N 2 1 284.444 2.031 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)C2CCCC2)CCOCC1 ZINC000052181345 519911838 /nfs/dbraw/zinc/91/18/38/519911838.db2.gz IBYRROFJJCSFLA-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419882 519913595 /nfs/dbraw/zinc/91/35/95/519913595.db2.gz TYCHBLIJYGALGJ-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654635 519912986 /nfs/dbraw/zinc/91/29/86/519912986.db2.gz HEEUAOHSUJBHTB-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC(C)C)C2CC2)O1 ZINC000052515889 519950327 /nfs/dbraw/zinc/95/03/27/519950327.db2.gz NABXDVQJHHTHOJ-GJZGRUSLSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643203 520045120 /nfs/dbraw/zinc/04/51/20/520045120.db2.gz QLZMMVAWAANBQI-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](CC)C1CCCC1)C(N)=O ZINC000068624548 520109576 /nfs/dbraw/zinc/10/95/76/520109576.db2.gz RXYYVUZMNDMGHK-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](CC)C1CCCC1)C(N)=O ZINC000068624548 520109585 /nfs/dbraw/zinc/10/95/85/520109585.db2.gz RXYYVUZMNDMGHK-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647885 520111164 /nfs/dbraw/zinc/11/11/64/520111164.db2.gz DOKDWWPILGQBQB-SQWLQELKSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647885 520111170 /nfs/dbraw/zinc/11/11/70/520111170.db2.gz DOKDWWPILGQBQB-SQWLQELKSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@H](C)CCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000055065139 520172169 /nfs/dbraw/zinc/17/21/69/520172169.db2.gz OTHUSOVLCCPTRX-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1ccc[nH+]c1NN ZINC000052722091 521558313 /nfs/dbraw/zinc/55/83/13/521558313.db2.gz DPVZEXHGALBVSV-UHFFFAOYSA-N 2 1 266.389 2.004 10 0 CEAEMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418934 522018756 /nfs/dbraw/zinc/01/87/56/522018756.db2.gz OCHODRSTKQOICU-HNNXBMFYSA-N 2 1 261.413 2.115 10 0 CEAEMP C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400440247 533938283 /nfs/dbraw/zinc/93/82/83/533938283.db2.gz MFCTZYWUHDVTRK-WMLDXEAASA-N 2 1 284.407 2.019 10 0 CEAEMP CC(C)(C)[NH2+]CC1(C[N@H+]2CCCC[C@@H]2CO)CCOCC1 ZINC000052183598 518753028 /nfs/dbraw/zinc/75/30/28/518753028.db2.gz MEZABOOBXPDZEH-OAHLLOKOSA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(CN2CCC[N@@H+](C)CC2)c1 ZINC000052424160 519727423 /nfs/dbraw/zinc/72/74/23/519727423.db2.gz HGMQHGZFTFCZOI-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCCN(C)CC2)c1 ZINC000052424160 519727424 /nfs/dbraw/zinc/72/74/24/519727424.db2.gz HGMQHGZFTFCZOI-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCCN(C)CC2)c1 ZINC000052424160 519727426 /nfs/dbraw/zinc/72/74/26/519727426.db2.gz HGMQHGZFTFCZOI-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478899 519744958 /nfs/dbraw/zinc/74/49/58/519744958.db2.gz RRELIIMOPYCMGK-IRXDYDNUSA-N 2 1 291.439 2.307 10 0 CEAEMP CCCC1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000050893322 519900955 /nfs/dbraw/zinc/90/09/55/519900955.db2.gz FCAVOAUJUVMTIT-SJPCQFCGSA-N 2 1 279.472 2.453 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCn1ccnc1 ZINC000054601907 519909966 /nfs/dbraw/zinc/90/99/66/519909966.db2.gz AEFNFUMQBVPCAF-MQVJKMGUSA-N 2 1 276.428 2.268 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180688 519912733 /nfs/dbraw/zinc/91/27/33/519912733.db2.gz KHBJBDPUOFUBGE-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccoc2)O1 ZINC000052545677 519935814 /nfs/dbraw/zinc/93/58/14/519935814.db2.gz WVBXNUQGMLLVIA-CABCVRRESA-N 2 1 266.385 2.259 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425382 519953357 /nfs/dbraw/zinc/95/33/57/519953357.db2.gz OMNZAJZTTSXCEZ-JKSUJKDBSA-N 2 1 280.387 2.415 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069262689 519958273 /nfs/dbraw/zinc/95/82/73/519958273.db2.gz XTVZIILEKPBVTC-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419385 519979752 /nfs/dbraw/zinc/97/97/52/519979752.db2.gz NMAPPXIBEYSIDW-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)COC)c(C)o1 ZINC000052511918 519986993 /nfs/dbraw/zinc/98/69/93/519986993.db2.gz AKFREHJBFTVUIS-LLVKDONJSA-N 2 1 254.374 2.164 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000052481874 519995788 /nfs/dbraw/zinc/99/57/88/519995788.db2.gz BIQLZXBAOPLCBE-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1cn(CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000052482555 520012528 /nfs/dbraw/zinc/01/25/28/520012528.db2.gz STGHTZZWOUBURA-HOCLYGCPSA-N 2 1 291.443 2.042 10 0 CEAEMP CC[NH2+]Cc1sc(N2CC[NH+](CC)CC2)nc1C1CC1 ZINC000069146563 520035022 /nfs/dbraw/zinc/03/50/22/520035022.db2.gz NYDGVLQZVUEGGB-UHFFFAOYSA-N 2 1 294.468 2.272 10 0 CEAEMP CC[NH2+][C@@H]1CCCc2nc(N3CC[NH+](CC)CC3)sc21 ZINC000054899368 520119237 /nfs/dbraw/zinc/11/92/37/520119237.db2.gz CWGLYYLBLNVCLK-GFCCVEGCSA-N 2 1 294.468 2.272 10 0 CEAEMP CC[NH2+][C@H](C)CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000061272851 520166119 /nfs/dbraw/zinc/16/61/19/520166119.db2.gz AEHWAMUNOBAXER-CQSZACIVSA-N 2 1 283.460 2.145 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](CCCOC)CCOC ZINC000053859117 520213888 /nfs/dbraw/zinc/21/38/88/520213888.db2.gz JSDLEUMBQABHDQ-CVEARBPZSA-N 2 1 286.460 2.140 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648125 520239611 /nfs/dbraw/zinc/23/96/11/520239611.db2.gz BZUDOFCBFNNCQD-YQQAZPJKSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648125 520239615 /nfs/dbraw/zinc/23/96/15/520239615.db2.gz BZUDOFCBFNNCQD-YQQAZPJKSA-N 2 1 297.487 2.377 10 0 CEAEMP CCCO[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC2)C1 ZINC000052371480 520285245 /nfs/dbraw/zinc/28/52/45/520285245.db2.gz CQZMFHMBGOZPIV-HNNXBMFYSA-N 2 1 254.418 2.410 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])c(C)o2)C1 ZINC000052372177 520318834 /nfs/dbraw/zinc/31/88/34/520318834.db2.gz IUTOXHIUGBWTDB-CYBMUJFWSA-N 2 1 252.358 2.048 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052372148 520526080 /nfs/dbraw/zinc/52/60/80/520526080.db2.gz PCSSBTHPJPZNHU-AWEZNQCLSA-N 2 1 266.385 2.308 10 0 CEAEMP CCN(CC1CC1)[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000069237472 520970471 /nfs/dbraw/zinc/97/04/71/520970471.db2.gz DKXNNTUTDZFWDC-SFHVURJKSA-N 2 1 287.451 2.322 10 0 CEAEMP CCN(CC1CC1)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000069237472 520970478 /nfs/dbraw/zinc/97/04/78/520970478.db2.gz DKXNNTUTDZFWDC-SFHVURJKSA-N 2 1 287.451 2.322 10 0 CEAEMP CC[N@H+](Cc1cccs1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761403 521409509 /nfs/dbraw/zinc/40/95/09/521409509.db2.gz JWNMJUMRVVGMFD-UHFFFAOYSA-N 2 1 274.393 2.449 10 0 CEAEMP CC[N@@H+](Cc1cccs1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761403 521409515 /nfs/dbraw/zinc/40/95/15/521409515.db2.gz JWNMJUMRVVGMFD-UHFFFAOYSA-N 2 1 274.393 2.449 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)CCc2ccccc2N)CC1 ZINC000052918649 521560124 /nfs/dbraw/zinc/56/01/24/521560124.db2.gz IBSXQEBDDCJFAE-UHFFFAOYSA-N 2 1 261.413 2.227 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)CCc2ccccc2N)CC1 ZINC000052918649 521560129 /nfs/dbraw/zinc/56/01/29/521560129.db2.gz IBSXQEBDDCJFAE-UHFFFAOYSA-N 2 1 261.413 2.227 10 0 CEAEMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052422471 521688252 /nfs/dbraw/zinc/68/82/52/521688252.db2.gz HDBRMFOKHMEXIG-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCC[N@H+]1C ZINC000054602504 521953254 /nfs/dbraw/zinc/95/32/54/521953254.db2.gz QDOOODOEOUAFRV-UYTSQGDYSA-N 2 1 265.445 2.076 10 0 CEAEMP C[NH2+]C[C@@H]1Cc2ccccc2CN1c1cc(C)[nH+]c(C)n1 ZINC000053663884 522061043 /nfs/dbraw/zinc/06/10/43/522061043.db2.gz OBGAZRTXPFERPC-INIZCTEOSA-N 2 1 282.391 2.244 10 0 CEAEMP C[NH2+]C[C@H](C)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443450 522070010 /nfs/dbraw/zinc/07/00/10/522070010.db2.gz VYEIBCXXHKYXEY-ZDUSSCGKSA-N 2 1 281.831 2.318 10 0 CEAEMP C[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648205 522522428 /nfs/dbraw/zinc/52/24/28/522522428.db2.gz PQVGRCANEKQHBI-GRDNDAEWSA-N 2 1 297.487 2.377 10 0 CEAEMP C[NH2+][C@](C)(C[C@H](C)[N@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648205 522522440 /nfs/dbraw/zinc/52/24/40/522522440.db2.gz PQVGRCANEKQHBI-GRDNDAEWSA-N 2 1 297.487 2.377 10 0 CEAEMP C[N@@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)CC(C)(C)C ZINC000052570125 522998226 /nfs/dbraw/zinc/99/82/26/522998226.db2.gz LSUFGHNGVRCCIV-UHFFFAOYSA-N 2 1 281.448 2.144 10 0 CEAEMP C[N@H+]1CCCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052424414 523809648 /nfs/dbraw/zinc/80/96/48/523809648.db2.gz YJDAPBBCWZUCQV-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CN1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052424414 523809654 /nfs/dbraw/zinc/80/96/54/523809654.db2.gz YJDAPBBCWZUCQV-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CN1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052424414 523809660 /nfs/dbraw/zinc/80/96/60/523809660.db2.gz YJDAPBBCWZUCQV-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP C[C@@H]1CCC[C@H]([N@@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182632 524389299 /nfs/dbraw/zinc/38/92/99/524389299.db2.gz JPQVVSWRCYRLJK-KGLIPLIRSA-N 2 1 254.418 2.252 10 0 CEAEMP C[C@@H](C[NH3+])CN1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000049254410 524581494 /nfs/dbraw/zinc/58/14/94/524581494.db2.gz GESOYZIEFDWIEA-AWEZNQCLSA-N 2 1 255.450 2.025 10 0 CEAEMP COc1ccc(OCC[N@@H+]2CCC[NH2+][C@H](C(C)C)C2)cc1 ZINC000062707720 524953007 /nfs/dbraw/zinc/95/30/07/524953007.db2.gz ICFGLAGSQQSWQU-KRWDZBQOSA-N 2 1 292.423 2.394 10 0 CEAEMP COc1ccc(OCC[N@H+]2CCC[NH2+][C@H](C(C)C)C2)cc1 ZINC000062707720 524953015 /nfs/dbraw/zinc/95/30/15/524953015.db2.gz ICFGLAGSQQSWQU-KRWDZBQOSA-N 2 1 292.423 2.394 10 0 CEAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCNCCC[NH+](C)C ZINC000053439456 526261376 /nfs/dbraw/zinc/26/13/76/526261376.db2.gz DPJMGMBSNJDQAF-LSDHHAIUSA-N 2 1 255.450 2.038 10 0 CEAEMP Fc1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011820 526327355 /nfs/dbraw/zinc/32/73/55/526327355.db2.gz HQMBUVFCESVKRB-CQSZACIVSA-N 2 1 262.372 2.442 10 0 CEAEMP NC(=[NH2+])c1ccccc1C[NH+]1Cc2ccccc2C1 ZINC000050911412 526824021 /nfs/dbraw/zinc/82/40/21/526824021.db2.gz NDQQKWAFTXDPMV-UHFFFAOYSA-N 2 1 251.333 2.486 10 0 CEAEMP [NH3+]Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000061710180 527260214 /nfs/dbraw/zinc/26/02/14/527260214.db2.gz NPLSTLNNPYDYBV-QGZVFWFLSA-N 2 1 282.387 2.379 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]C2CC2)CCC[N@@H+]1C ZINC000070280885 527659359 /nfs/dbraw/zinc/65/93/59/527659359.db2.gz KMYNSUXEEMWWEH-CJNGLKHVSA-N 2 1 276.428 2.172 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]C2CC2)CCC[N@H+]1C ZINC000070280885 527659362 /nfs/dbraw/zinc/65/93/62/527659362.db2.gz KMYNSUXEEMWWEH-CJNGLKHVSA-N 2 1 276.428 2.172 10 0 CEAEMP C1C[C@H]2CC3(C[C@@H]1[NH2+]2)[NH2+]CC1(CCCCC1)CO3 ZINC000757150011 574510704 /nfs/dbraw/zinc/51/07/04/574510704.db2.gz PUONCKJSKDMEGO-NNQSOWQGSA-N 2 1 250.386 2.167 10 0 CEAEMP CC1CCC(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000261944105 623709724 /nfs/dbraw/zinc/70/97/24/623709724.db2.gz FAWSOFOOWUQWET-GPANFISMSA-N 2 1 295.471 2.132 10 0 CEAEMP CCn1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000169781450 344482639 /nfs/dbraw/zinc/48/26/39/344482639.db2.gz SLHBOWJENUTBKA-INIZCTEOSA-N 2 1 290.455 2.375 10 0 CEAEMP [NH3+]CC[C@@H]([NH3+])c1c(Cl)cnc(Cl)c1Cl ZINC000306565058 344714730 /nfs/dbraw/zinc/71/47/30/344714730.db2.gz FGUMMPGURGQTJP-RXMQYKEDSA-N 2 1 254.548 2.390 10 0 CEAEMP CN(C)c1cc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)ccn1 ZINC000328635907 344757104 /nfs/dbraw/zinc/75/71/04/344757104.db2.gz NULYCWXOXYSTIO-OAHLLOKOSA-N 2 1 299.422 2.039 10 0 CEAEMP CN(C)c1cc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)ccn1 ZINC000328635907 344757107 /nfs/dbraw/zinc/75/71/07/344757107.db2.gz NULYCWXOXYSTIO-OAHLLOKOSA-N 2 1 299.422 2.039 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085510332 179085910 /nfs/dbraw/zinc/08/59/10/179085910.db2.gz LSTCYUHNPPGNTL-JKSUJKDBSA-N 2 1 276.428 2.044 10 0 CEAEMP CCC1(CC)CN(CCn2cc[nH+]c2C)[C@H](C)C[NH2+]1 ZINC000085516789 179087584 /nfs/dbraw/zinc/08/75/84/179087584.db2.gz UKDYELHQVDKGNR-CYBMUJFWSA-N 2 1 264.417 2.044 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1C ZINC000085521076 179088208 /nfs/dbraw/zinc/08/82/08/179088208.db2.gz GQVLHSZKBHAXLV-BLLLJJGKSA-N 2 1 289.423 2.279 10 0 CEAEMP CCc1nc2c(n1CCC[N@H+]1CCCC[C@@H]1C)CC[NH2+]C2 ZINC000085568453 179095163 /nfs/dbraw/zinc/09/51/63/179095163.db2.gz LCRMENUIWBQGBR-AWEZNQCLSA-N 2 1 290.455 2.356 10 0 CEAEMP Cc1nc2c(n1CCC[N@@H+]1CCCC[C@H]1C)CC[NH2+]C2 ZINC000085568463 179095711 /nfs/dbraw/zinc/09/57/11/179095711.db2.gz LUZDVMAZFLUMSK-CYBMUJFWSA-N 2 1 276.428 2.102 10 0 CEAEMP COCCOCC[N@H+]1C[C@@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625552 179106577 /nfs/dbraw/zinc/10/65/77/179106577.db2.gz IWZUXVMDBXJREN-RDJZCZTQSA-N 2 1 298.471 2.282 10 0 CEAEMP CC[N@H+]1CCC[C@H](n2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572793 179098183 /nfs/dbraw/zinc/09/81/83/179098183.db2.gz GZCBLEIYUUTNSS-ZDUSSCGKSA-N 2 1 274.412 2.063 10 0 CEAEMP CCCCOCC[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612531 179103458 /nfs/dbraw/zinc/10/34/58/179103458.db2.gz JYLJLGJFTIEWRX-UHFFFAOYSA-N 2 1 254.418 2.411 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626601 179106432 /nfs/dbraw/zinc/10/64/32/179106432.db2.gz RBUAJFVMVWFMNX-SNPRPXQTSA-N 2 1 252.402 2.018 10 0 CEAEMP CCCCOCC[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626299 179106444 /nfs/dbraw/zinc/10/64/44/179106444.db2.gz INIDHKPLFATZTP-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085800606 179173803 /nfs/dbraw/zinc/17/38/03/179173803.db2.gz ZYWNYLSFWIGZEB-BRWVUGGUSA-N 2 1 274.408 2.070 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085800606 179173804 /nfs/dbraw/zinc/17/38/04/179173804.db2.gz ZYWNYLSFWIGZEB-BRWVUGGUSA-N 2 1 274.408 2.070 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086145774 179238568 /nfs/dbraw/zinc/23/85/68/179238568.db2.gz MWLIFFYIXQJLPX-WBVHZDCISA-N 2 1 279.472 2.182 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086141822 179236638 /nfs/dbraw/zinc/23/66/38/179236638.db2.gz SELLJXXBAFUDGE-FUHWJXTLSA-N 2 1 287.451 2.149 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](CC)CN1 ZINC000086173666 179244587 /nfs/dbraw/zinc/24/45/87/179244587.db2.gz OOWCMJYAVKIZML-BHYGNILZSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CC2CC[NH+](C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086173666 179244589 /nfs/dbraw/zinc/24/45/89/179244589.db2.gz OOWCMJYAVKIZML-BHYGNILZSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086146735 179239831 /nfs/dbraw/zinc/23/98/31/179239831.db2.gz YZGJFQKWKJWJSP-MRXNPFEDSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+](C)CCCC[NH+]1CCN[C@@](C)(C2CC2)C1 ZINC000086146735 179239832 /nfs/dbraw/zinc/23/98/32/179239832.db2.gz YZGJFQKWKJWJSP-MRXNPFEDSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1CCN[C@@](C)(C2CC2)C1 ZINC000086146735 179239833 /nfs/dbraw/zinc/23/98/33/179239833.db2.gz YZGJFQKWKJWJSP-MRXNPFEDSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1CCN[C@@](C)(C2CC2)C1 ZINC000086146735 179239835 /nfs/dbraw/zinc/23/98/35/179239835.db2.gz YZGJFQKWKJWJSP-MRXNPFEDSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1CCN[C@@](C)(C2CC2)C1 ZINC000086146735 179239836 /nfs/dbraw/zinc/23/98/36/179239836.db2.gz YZGJFQKWKJWJSP-MRXNPFEDSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223175 179252575 /nfs/dbraw/zinc/25/25/75/179252575.db2.gz JLGOWXVRPQLKJI-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225411 179253562 /nfs/dbraw/zinc/25/35/62/179253562.db2.gz UHJZKOZGAZMPMA-XHSDSOJGSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CC(C)(C)NC[C@H]2C(C)C)CC1 ZINC000086259154 179258032 /nfs/dbraw/zinc/25/80/32/179258032.db2.gz XPKTXAUSHTVDFB-INIZCTEOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259242 179258151 /nfs/dbraw/zinc/25/81/51/179258151.db2.gz ZCCCPRRITZEIML-PMPSAXMXSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC1(CC)CN([C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000086259632 179259057 /nfs/dbraw/zinc/25/90/57/179259057.db2.gz OERMPARCEUNZFX-DZGCQCFKSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261125 179260140 /nfs/dbraw/zinc/26/01/40/179260140.db2.gz NFFLNLIJHADBFD-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1CCCC[NH+](C)C ZINC000086261125 179260141 /nfs/dbraw/zinc/26/01/41/179260141.db2.gz NFFLNLIJHADBFD-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CCOCCC[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086286244 179264645 /nfs/dbraw/zinc/26/46/45/179264645.db2.gz CMUNDPDDMAAHHV-UHFFFAOYSA-N 2 1 254.418 2.411 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086259252 179257523 /nfs/dbraw/zinc/25/75/23/179257523.db2.gz RPNTYUOCPDMVES-XHSDSOJGSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086293034 179266695 /nfs/dbraw/zinc/26/66/95/179266695.db2.gz HESNLVIXRGHXQR-CVEARBPZSA-N 2 1 281.488 2.427 10 0 CEAEMP Cc1cccc(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086293960 179268017 /nfs/dbraw/zinc/26/80/17/179268017.db2.gz ZVWLABRXHLLOLN-INIZCTEOSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086293960 179268019 /nfs/dbraw/zinc/26/80/19/179268019.db2.gz ZVWLABRXHLLOLN-INIZCTEOSA-N 2 1 259.397 2.354 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293880 179268344 /nfs/dbraw/zinc/26/83/44/179268344.db2.gz ZWKHCECWTPEUHX-FUHWJXTLSA-N 2 1 286.419 2.454 10 0 CEAEMP COCC[C@@H](C)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086300106 179268753 /nfs/dbraw/zinc/26/87/53/179268753.db2.gz LDDZSZCNAWCYDK-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)CN(C(C)C)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819460 179347986 /nfs/dbraw/zinc/34/79/86/179347986.db2.gz PGBPJHLVJHKOIJ-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@H+](C(C)C)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819460 179347988 /nfs/dbraw/zinc/34/79/88/179347988.db2.gz PGBPJHLVJHKOIJ-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@@H+](C(C)C)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819460 179347990 /nfs/dbraw/zinc/34/79/90/179347990.db2.gz PGBPJHLVJHKOIJ-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C(C)C)[C@]1(CN)CCC[N@H+](C)CC1 ZINC000086819460 179347991 /nfs/dbraw/zinc/34/79/91/179347991.db2.gz PGBPJHLVJHKOIJ-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C(C)C)[C@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819460 179347993 /nfs/dbraw/zinc/34/79/93/179347993.db2.gz PGBPJHLVJHKOIJ-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817399 179344716 /nfs/dbraw/zinc/34/47/16/179344716.db2.gz HYKFVYNOZDQZPA-OAHLLOKOSA-N 2 1 286.423 2.419 10 0 CEAEMP CC(C)C[C@H](CN[C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817432 179344888 /nfs/dbraw/zinc/34/48/88/179344888.db2.gz VLRHFEFXGQSLJQ-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)N(C)C ZINC000086817432 179344890 /nfs/dbraw/zinc/34/48/90/179344890.db2.gz VLRHFEFXGQSLJQ-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)N(C)C ZINC000086817432 179344891 /nfs/dbraw/zinc/34/48/91/179344891.db2.gz VLRHFEFXGQSLJQ-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC1CCN([C@@]2(C[NH3+])CCC[N@@H+](CC)CC2)CC1 ZINC000086847576 179356034 /nfs/dbraw/zinc/35/60/34/179356034.db2.gz NHXWQEVBBZGNOE-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835479 179350082 /nfs/dbraw/zinc/35/00/82/179350082.db2.gz OSMAPIUUFDZKTO-NFOMZHRRSA-N 2 1 254.418 2.144 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841697 179352408 /nfs/dbraw/zinc/35/24/08/179352408.db2.gz SEFCLLNDEKZURE-HOTGVXAUSA-N 2 1 295.471 2.240 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841697 179352409 /nfs/dbraw/zinc/35/24/09/179352409.db2.gz SEFCLLNDEKZURE-HOTGVXAUSA-N 2 1 295.471 2.240 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840759 179352537 /nfs/dbraw/zinc/35/25/37/179352537.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@@H](CN[C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086840759 179352538 /nfs/dbraw/zinc/35/25/38/179352538.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@@H](CN[C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086840759 179352540 /nfs/dbraw/zinc/35/25/40/179352540.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840759 179352541 /nfs/dbraw/zinc/35/25/41/179352541.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840759 179352543 /nfs/dbraw/zinc/35/25/43/179352543.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086840759 179352545 /nfs/dbraw/zinc/35/25/45/179352545.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@@H](C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086840759 179352546 /nfs/dbraw/zinc/35/25/46/179352546.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843722 179352937 /nfs/dbraw/zinc/35/29/37/179352937.db2.gz PIRRUXWFCOJITQ-HNNXBMFYSA-N 3 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842241 179353037 /nfs/dbraw/zinc/35/30/37/179353037.db2.gz LLPVZYFVFQGPIW-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845180 179354703 /nfs/dbraw/zinc/35/47/03/179354703.db2.gz SMDHCUUOOGWJAC-GFCCVEGCSA-N 2 1 282.350 2.418 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851251 179359584 /nfs/dbraw/zinc/35/95/84/179359584.db2.gz GNBVOIXOCYNIMY-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851251 179359585 /nfs/dbraw/zinc/35/95/85/179359585.db2.gz GNBVOIXOCYNIMY-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851251 179359587 /nfs/dbraw/zinc/35/95/87/179359587.db2.gz GNBVOIXOCYNIMY-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851251 179359589 /nfs/dbraw/zinc/35/95/89/179359589.db2.gz GNBVOIXOCYNIMY-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851251 179359592 /nfs/dbraw/zinc/35/95/92/179359592.db2.gz GNBVOIXOCYNIMY-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](O)(c2c(C)cc[nH+]c2N)CC1 ZINC000086852744 179360010 /nfs/dbraw/zinc/36/00/10/179360010.db2.gz MLPOOIDEFLMMHK-HNNXBMFYSA-N 2 1 263.385 2.056 10 0 CEAEMP CCC[N@H+]1CCC[C@@](O)(c2c(C)cc[nH+]c2N)CC1 ZINC000086852744 179360013 /nfs/dbraw/zinc/36/00/13/179360013.db2.gz MLPOOIDEFLMMHK-HNNXBMFYSA-N 2 1 263.385 2.056 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])([NH+](CCOC)CCOC)CC1 ZINC000086911323 179367191 /nfs/dbraw/zinc/36/71/91/179367191.db2.gz MXELHALOAFGZNC-HOTGVXAUSA-N 2 1 286.460 2.269 10 0 CEAEMP CCC[C@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952103 179368518 /nfs/dbraw/zinc/36/85/18/179368518.db2.gz PROHLWCQSMQSRC-HOTGVXAUSA-N 2 1 268.445 2.393 10 0 CEAEMP CCC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000087052970 179388707 /nfs/dbraw/zinc/38/87/07/179388707.db2.gz OFZSDTTWDJYZPR-PCKAHOCUSA-N 2 1 268.445 2.249 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CC1(O)CCCCC1 ZINC000087029184 179382357 /nfs/dbraw/zinc/38/23/57/179382357.db2.gz DHSKQJRLQSWZAG-AWEZNQCLSA-N 2 1 254.418 2.146 10 0 CEAEMP CC[NH2+][C@H](CSC(C)C)Cc1c[nH+]ccc1N ZINC000087113477 179395597 /nfs/dbraw/zinc/39/55/97/179395597.db2.gz BCAFAFPZGOVDAA-LBPRGKRZSA-N 2 1 253.415 2.326 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]CC2(O)CCCCCC2)CC1 ZINC000087089126 179393515 /nfs/dbraw/zinc/39/35/15/179393515.db2.gz IQAPJIAUHDPRCS-AWEZNQCLSA-N 2 1 254.418 2.146 10 0 CEAEMP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc(CCO)c1 ZINC000616625515 348538662 /nfs/dbraw/zinc/53/86/62/348538662.db2.gz OWJFIJLPEQMRDI-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc(CCO)c1 ZINC000616625515 348538666 /nfs/dbraw/zinc/53/86/66/348538666.db2.gz OWJFIJLPEQMRDI-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369576 233177615 /nfs/dbraw/zinc/17/76/15/233177615.db2.gz TUTXEYQYSFFBPX-SZMVWBNQSA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369576 233177616 /nfs/dbraw/zinc/17/76/16/233177616.db2.gz TUTXEYQYSFFBPX-SZMVWBNQSA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369576 233177619 /nfs/dbraw/zinc/17/76/19/233177619.db2.gz TUTXEYQYSFFBPX-SZMVWBNQSA-N 3 1 287.451 2.096 10 0 CEAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694403 180025872 /nfs/dbraw/zinc/02/58/72/180025872.db2.gz CPRVCVYHGFCTMK-UKRRQHHQSA-N 2 1 295.471 2.144 10 0 CEAEMP FC(F)(F)CC[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694487 180025939 /nfs/dbraw/zinc/02/59/39/180025939.db2.gz USEMUKDXFMTJDG-LLVKDONJSA-N 2 1 250.308 2.403 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873619 180050064 /nfs/dbraw/zinc/05/00/64/180050064.db2.gz ZZEMARNDIDWPGI-CFVMTHIKSA-N 2 1 260.381 2.049 10 0 CEAEMP c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874333 180050158 /nfs/dbraw/zinc/05/01/58/180050158.db2.gz MBFIDSATWZUCCB-CZUORRHYSA-N 2 1 272.392 2.064 10 0 CEAEMP CC[C@@](C)(C[NH3+])[N@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891791 180053893 /nfs/dbraw/zinc/05/38/93/180053893.db2.gz OPIDMJPLWAXBCL-ZFWWWQNUSA-N 2 1 266.360 2.188 10 0 CEAEMP CC[C@@](C)(C[NH3+])[N@@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891791 180053895 /nfs/dbraw/zinc/05/38/95/180053895.db2.gz OPIDMJPLWAXBCL-ZFWWWQNUSA-N 2 1 266.360 2.188 10 0 CEAEMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892554 180054254 /nfs/dbraw/zinc/05/42/54/180054254.db2.gz BHCDSBNGQNSXOT-WFASDCNBSA-N 2 1 278.371 2.061 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907607 180062477 /nfs/dbraw/zinc/06/24/77/180062477.db2.gz GRDAAVHEMXPIHV-GASCZTMLSA-N 2 1 266.429 2.410 10 0 CEAEMP C[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907607 180062479 /nfs/dbraw/zinc/06/24/79/180062479.db2.gz GRDAAVHEMXPIHV-GASCZTMLSA-N 2 1 266.429 2.410 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090957967 180074580 /nfs/dbraw/zinc/07/45/80/180074580.db2.gz QQNVIVMHCDRADV-PHIMTYICSA-N 2 1 253.415 2.122 10 0 CEAEMP COCC[N@@H+](Cc1csc([C@@H](C)[NH3+])n1)CC(C)C ZINC000090958281 180075159 /nfs/dbraw/zinc/07/51/59/180075159.db2.gz WOKLPZKFLCQNRE-LLVKDONJSA-N 2 1 271.430 2.267 10 0 CEAEMP COCC[N@H+](Cc1csc([C@@H](C)[NH3+])n1)CC(C)C ZINC000090958281 180075160 /nfs/dbraw/zinc/07/51/60/180075160.db2.gz WOKLPZKFLCQNRE-LLVKDONJSA-N 2 1 271.430 2.267 10 0 CEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000091313758 180132970 /nfs/dbraw/zinc/13/29/70/180132970.db2.gz UHQJKSGJTNXXLI-ZDUSSCGKSA-N 2 1 268.788 2.150 10 0 CEAEMP CC(C)n1cncc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000091273055 180118141 /nfs/dbraw/zinc/11/81/41/180118141.db2.gz JNHZVCWGBSYGOK-QWHCGFSZSA-N 2 1 250.390 2.023 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000091273055 180118143 /nfs/dbraw/zinc/11/81/43/180118143.db2.gz JNHZVCWGBSYGOK-QWHCGFSZSA-N 2 1 250.390 2.023 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091395245 180146529 /nfs/dbraw/zinc/14/65/29/180146529.db2.gz MKIPOCOWCDBBIX-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+][C@H](C)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091395245 180146530 /nfs/dbraw/zinc/14/65/30/180146530.db2.gz MKIPOCOWCDBBIX-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000091405060 180147395 /nfs/dbraw/zinc/14/73/95/180147395.db2.gz MKDRXVPXALCJQN-CQSZACIVSA-N 3 1 269.477 2.284 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](N(C)C)C2)cc1 ZINC000091430273 180152778 /nfs/dbraw/zinc/15/27/78/180152778.db2.gz VOCWLNMPUYETAT-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](N(C)C)C2)cc1 ZINC000091430273 180152780 /nfs/dbraw/zinc/15/27/80/180152780.db2.gz VOCWLNMPUYETAT-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)([C@@H](O)c1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091567741 180194611 /nfs/dbraw/zinc/19/46/11/180194611.db2.gz SOFDULMZLYKPAD-AWEZNQCLSA-N 2 1 263.385 2.352 10 0 CEAEMP CCC[NH2+][C@H](Cc1cccnc1N)[C@@](C)(CC)[NH+](C)C ZINC000091571901 180196255 /nfs/dbraw/zinc/19/62/55/180196255.db2.gz SETHQHPQJOAKDT-GDBMZVCRSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1cc(C)nn1C)[NH2+]C)[NH+]1CCCC1 ZINC000091606600 180203932 /nfs/dbraw/zinc/20/39/32/180203932.db2.gz NSJXCMANVPILAE-CVEARBPZSA-N 2 1 278.444 2.124 10 0 CEAEMP CC[C@@](C)([C@H](Cc1ncnn1C(C)C)[NH2+]C)[NH+]1CCCC1 ZINC000091607029 180204071 /nfs/dbraw/zinc/20/40/71/180204071.db2.gz DRSIPJOFJCNQDP-HOCLYGCPSA-N 2 1 293.459 2.254 10 0 CEAEMP CC[C@](C)([C@H](O)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608882 180205469 /nfs/dbraw/zinc/20/54/69/180205469.db2.gz OGLHWLAHVDOTGS-HUUCEWRRSA-N 2 1 263.385 2.352 10 0 CEAEMP CC(C)n1ncnc1C[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000091640806 180213390 /nfs/dbraw/zinc/21/33/90/180213390.db2.gz RMKXPWZWILQKCM-AWEZNQCLSA-N 2 1 291.443 2.137 10 0 CEAEMP [NH3+][C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720716 180235709 /nfs/dbraw/zinc/23/57/09/180235709.db2.gz ABOJJBXGTZELKL-BPLDGKMQSA-N 2 1 298.789 2.212 10 0 CEAEMP Cc1cc(C)cc([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720188 180236739 /nfs/dbraw/zinc/23/67/39/180236739.db2.gz UQWNEAHPXDJJHZ-OAGGEKHMSA-N 2 1 260.381 2.166 10 0 CEAEMP CC[NH2+][C@H](C1CCCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721747 180237395 /nfs/dbraw/zinc/23/73/95/180237395.db2.gz WNKOLWKVWOPPGZ-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[NH2+][C@H](C1CCCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721747 180237396 /nfs/dbraw/zinc/23/73/96/180237396.db2.gz WNKOLWKVWOPPGZ-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](CC1CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722213 180240543 /nfs/dbraw/zinc/24/05/43/180240543.db2.gz ACNVLNUHVYWUAP-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP CCC[NH2+][C@H](CC1CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722213 180240544 /nfs/dbraw/zinc/24/05/44/180240544.db2.gz ACNVLNUHVYWUAP-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP [NH3+][C@@H]1CCCc2sc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722534 180240838 /nfs/dbraw/zinc/24/08/38/180240838.db2.gz MLWSVCNSAONXCH-MXWKQRLJSA-N 2 1 279.409 2.015 10 0 CEAEMP CC[N@@H+](C[C@H]1COc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091850869 180272378 /nfs/dbraw/zinc/27/23/78/180272378.db2.gz NFHRPAGUYVUTGO-NRXISQOPSA-N 2 1 290.407 2.418 10 0 CEAEMP CCCCOC(=O)C[N@@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852446 180273085 /nfs/dbraw/zinc/27/30/85/180273085.db2.gz PYBDPBJPIUHWKU-UHFFFAOYSA-N 2 1 270.417 2.312 10 0 CEAEMP CCN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)C1=CCCCC1 ZINC000091846726 180270204 /nfs/dbraw/zinc/27/02/04/180270204.db2.gz OEXSMDYHSJCLJE-UHFFFAOYSA-N 2 1 293.455 2.495 10 0 CEAEMP CC[N@@H+]([C@@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091849627 180270899 /nfs/dbraw/zinc/27/08/99/180270899.db2.gz YCIVMDALVBOJCU-KOHJWAIASA-N 2 1 276.380 2.418 10 0 CEAEMP CC[N@H+](Cc1csc(NC(C)=O)n1)C1CCC([NH3+])CC1 ZINC000091850748 180271786 /nfs/dbraw/zinc/27/17/86/180271786.db2.gz YBKMPHSAHHITHC-UHFFFAOYSA-N 2 1 296.440 2.193 10 0 CEAEMP CC[N@@H+](Cc1csc(NC(C)=O)n1)C1CCC([NH3+])CC1 ZINC000091850748 180271788 /nfs/dbraw/zinc/27/17/88/180271788.db2.gz YBKMPHSAHHITHC-UHFFFAOYSA-N 2 1 296.440 2.193 10 0 CEAEMP CC[N@@H+](CC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091850847 180271817 /nfs/dbraw/zinc/27/18/17/180271817.db2.gz LGSXEOTUFSICOF-UHFFFAOYSA-N 2 1 281.444 2.027 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871309 180277098 /nfs/dbraw/zinc/27/70/98/180277098.db2.gz BLOHUBINEJNSMM-PCKAHOCUSA-N 3 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871309 180277099 /nfs/dbraw/zinc/27/70/99/180277099.db2.gz BLOHUBINEJNSMM-PCKAHOCUSA-N 3 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871309 180277101 /nfs/dbraw/zinc/27/71/01/180277101.db2.gz BLOHUBINEJNSMM-PCKAHOCUSA-N 3 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@H]([N@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871309 180277102 /nfs/dbraw/zinc/27/71/02/180277102.db2.gz BLOHUBINEJNSMM-PCKAHOCUSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871309 180277103 /nfs/dbraw/zinc/27/71/03/180277103.db2.gz BLOHUBINEJNSMM-PCKAHOCUSA-N 2 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000091870510 180277382 /nfs/dbraw/zinc/27/73/82/180277382.db2.gz DXVAHWFBOJTRRM-CVSAEHQPSA-N 2 1 254.418 2.142 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000091873253 180277963 /nfs/dbraw/zinc/27/79/63/180277963.db2.gz UPHZHUPTDGXHJQ-SLTXQBBLSA-N 2 1 295.471 2.144 10 0 CEAEMP CC[N@@H+](Cc1nc(C)ccc1O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091996057 180302345 /nfs/dbraw/zinc/30/23/45/180302345.db2.gz PDFUNEOPPGTOFT-PBWFPOADSA-N 2 1 275.396 2.201 10 0 CEAEMP CC[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000092003681 180304465 /nfs/dbraw/zinc/30/44/65/180304465.db2.gz AUBPJOFHIKHBSP-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092003681 180304466 /nfs/dbraw/zinc/30/44/66/180304466.db2.gz AUBPJOFHIKHBSP-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092003681 180304467 /nfs/dbraw/zinc/30/44/67/180304467.db2.gz AUBPJOFHIKHBSP-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CCC[NH2+]Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000092003381 180304540 /nfs/dbraw/zinc/30/45/40/180304540.db2.gz HJYJUPDCSUKLOV-WBVHZDCISA-N 2 1 288.439 2.254 10 0 CEAEMP CC(C)[NH2+]Cc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003565 180304615 /nfs/dbraw/zinc/30/46/15/180304615.db2.gz XVGLXINREOBYMU-CVEARBPZSA-N 2 1 291.439 2.446 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088417 180321694 /nfs/dbraw/zinc/32/16/94/180321694.db2.gz IIVNOFBCIMAVRX-XHSDSOJGSA-N 2 1 268.445 2.371 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000092339842 180365181 /nfs/dbraw/zinc/36/51/81/180365181.db2.gz XHPGQVHBYKXFEP-AWEZNQCLSA-N 2 1 278.444 2.247 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000092339842 180365184 /nfs/dbraw/zinc/36/51/84/180365184.db2.gz XHPGQVHBYKXFEP-AWEZNQCLSA-N 2 1 278.444 2.247 10 0 CEAEMP CCCNc1cc[nH+]c(CN2CCC[N@@H+](C)CC2)c1 ZINC000092418058 180381319 /nfs/dbraw/zinc/38/13/19/180381319.db2.gz IOJHUJJOFNOJTM-UHFFFAOYSA-N 2 1 262.401 2.041 10 0 CEAEMP CCNc1ccnc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000092419173 180382462 /nfs/dbraw/zinc/38/24/62/180382462.db2.gz DRIJPBWZSNEDRA-UHFFFAOYSA-N 2 1 276.428 2.287 10 0 CEAEMP CCNc1ccnc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000092419173 180382463 /nfs/dbraw/zinc/38/24/63/180382463.db2.gz DRIJPBWZSNEDRA-UHFFFAOYSA-N 2 1 276.428 2.287 10 0 CEAEMP CCC[NH2+][C@H](C)C[C@H](C)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092627274 180419420 /nfs/dbraw/zinc/41/94/20/180419420.db2.gz VKRMMDGSVKNSKH-ILXRZTDVSA-N 2 1 255.450 2.179 10 0 CEAEMP CN(c1cc(CO)[nH+]c2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000109594725 186265038 /nfs/dbraw/zinc/26/50/38/186265038.db2.gz WQCCMSRLPNUQBC-AWEZNQCLSA-N 2 1 285.391 2.258 10 0 CEAEMP CN(c1cc(CO)[nH+]c2ccccc21)[C@H]1CCC[N@@H+](C)C1 ZINC000109594725 186265040 /nfs/dbraw/zinc/26/50/40/186265040.db2.gz WQCCMSRLPNUQBC-AWEZNQCLSA-N 2 1 285.391 2.258 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000110977834 186338886 /nfs/dbraw/zinc/33/88/86/186338886.db2.gz VSLPBRCLWLATHH-GDBMZVCRSA-N 2 1 279.403 2.160 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705277 186313814 /nfs/dbraw/zinc/31/38/14/186313814.db2.gz RCSQEHZDKKOIHR-SWLSCSKDSA-N 2 1 279.403 2.240 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1cccs1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705131 186314223 /nfs/dbraw/zinc/31/42/23/186314223.db2.gz DIYIAOHSPUBUSE-AAEUAGOBSA-N 2 1 267.442 2.162 10 0 CEAEMP C[NH2+][C@H](CN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)cc1 ZINC000110717128 186315424 /nfs/dbraw/zinc/31/54/24/186315424.db2.gz OPUWLMVDQPJKGI-MRXNPFEDSA-N 2 1 275.440 2.282 10 0 CEAEMP CCOc1ccc([C@@H]([NH3+])CN2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000110714485 186315511 /nfs/dbraw/zinc/31/55/11/186315511.db2.gz CIPGOLBACZYAHN-YOEHRIQHSA-N 2 1 291.439 2.111 10 0 CEAEMP C[C@H](c1ccccc1)[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711751 186315881 /nfs/dbraw/zinc/31/58/81/186315881.db2.gz NSPSFPRERFUEAK-ZBFHGGJFSA-N 2 1 275.440 2.143 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110746819 186319274 /nfs/dbraw/zinc/31/92/74/186319274.db2.gz SMOUGKHKCCYQBY-ARFHVFGLSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110746819 186319275 /nfs/dbraw/zinc/31/92/75/186319275.db2.gz SMOUGKHKCCYQBY-ARFHVFGLSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110746819 186319276 /nfs/dbraw/zinc/31/92/76/186319276.db2.gz SMOUGKHKCCYQBY-ARFHVFGLSA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH2+][C@@H]1CCCc2nc(N3CC[N@@H+](C)C(C)(C)C3)sc21 ZINC000110758790 186320968 /nfs/dbraw/zinc/32/09/68/186320968.db2.gz ISTNAFRUVYCTFH-LLVKDONJSA-N 2 1 294.468 2.270 10 0 CEAEMP C[C@H]([NH2+]CCN1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000110755615 186321376 /nfs/dbraw/zinc/32/13/76/186321376.db2.gz ZFOMQAGTTCPMSX-STQMWFEESA-N 2 1 267.442 2.035 10 0 CEAEMP CC[C@H](C[NH2+]C(C)(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755237 186322030 /nfs/dbraw/zinc/32/20/30/186322030.db2.gz JDAAEVPJGYSKIC-CYBMUJFWSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[NH2+]Cc1sc(N2CC[N@@H+](C)C(C)(C)C2)nc1CC ZINC000110760422 186322501 /nfs/dbraw/zinc/32/25/01/186322501.db2.gz CSHJLUZERNLFQW-UHFFFAOYSA-N 2 1 296.484 2.345 10 0 CEAEMP CCOCC[N@H+](CC)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000111116315 186354009 /nfs/dbraw/zinc/35/40/09/186354009.db2.gz OGPLNHLIRJIOHA-UHFFFAOYSA-N 2 1 276.384 2.046 10 0 CEAEMP CCOCC[N@@H+](CC)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000111116315 186354010 /nfs/dbraw/zinc/35/40/10/186354010.db2.gz OGPLNHLIRJIOHA-UHFFFAOYSA-N 2 1 276.384 2.046 10 0 CEAEMP CCOCC[N@H+](CC)[C@@H](C[NH3+])CCc1ccccc1 ZINC000111117652 186354297 /nfs/dbraw/zinc/35/42/97/186354297.db2.gz PFDWTTRXXWUOLD-MRXNPFEDSA-N 2 1 264.413 2.305 10 0 CEAEMP CCOCC[N@@H+](CC)[C@@H](C[NH3+])CCc1ccccc1 ZINC000111117652 186354298 /nfs/dbraw/zinc/35/42/98/186354298.db2.gz PFDWTTRXXWUOLD-MRXNPFEDSA-N 2 1 264.413 2.305 10 0 CEAEMP C[N@@H+](C[C@H]1CCCOC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111171478 186365260 /nfs/dbraw/zinc/36/52/60/186365260.db2.gz RRKSDEICSHNDRD-CYBMUJFWSA-N 2 1 254.418 2.123 10 0 CEAEMP COc1ccc(C[N@H+](C)C[C@]2(C[NH3+])CCCOC2)cc1F ZINC000111323327 186397074 /nfs/dbraw/zinc/39/70/74/186397074.db2.gz DTIBRRYZXGSKML-MRXNPFEDSA-N 2 1 296.386 2.022 10 0 CEAEMP COc1ccc(C[N@@H+](C)C[C@]2(C[NH3+])CCCOC2)cc1F ZINC000111323327 186397076 /nfs/dbraw/zinc/39/70/76/186397076.db2.gz DTIBRRYZXGSKML-MRXNPFEDSA-N 2 1 296.386 2.022 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000111322145 186397952 /nfs/dbraw/zinc/39/79/52/186397952.db2.gz CVTKFUTYNSQKOF-CABCVRRESA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H]2CCCO)CCCOC1 ZINC000111328867 186399492 /nfs/dbraw/zinc/39/94/92/186399492.db2.gz GWGRWUUWOSJOIY-IAGOWNOFSA-N 2 1 298.471 2.020 10 0 CEAEMP CC(C)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562380 351415508 /nfs/dbraw/zinc/41/55/08/351415508.db2.gz MOJMMNJIPIFHKS-DCAQKATOSA-N 2 1 252.324 2.490 10 0 CEAEMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@](C)(O)c1ccccc1 ZINC000152411255 188016502 /nfs/dbraw/zinc/01/65/02/188016502.db2.gz YFWCJKSZOHIJMY-WBVHZDCISA-N 2 1 276.424 2.168 10 0 CEAEMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@](C)(O)c1ccccc1 ZINC000152411255 188016503 /nfs/dbraw/zinc/01/65/03/188016503.db2.gz YFWCJKSZOHIJMY-WBVHZDCISA-N 2 1 276.424 2.168 10 0 CEAEMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@](C)(O)c1ccccc1 ZINC000152411255 188016504 /nfs/dbraw/zinc/01/65/04/188016504.db2.gz YFWCJKSZOHIJMY-WBVHZDCISA-N 2 1 276.424 2.168 10 0 CEAEMP c1cc(CN2CC[N@H+]3CCCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000252814517 540008721 /nfs/dbraw/zinc/00/87/21/540008721.db2.gz TYGNCEGFCRBGOZ-KRWDZBQOSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc(C[N@@H+]2CCN3CCCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000252814517 540008723 /nfs/dbraw/zinc/00/87/23/540008723.db2.gz TYGNCEGFCRBGOZ-KRWDZBQOSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc(C[N@H+]2CCN3CCCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000252814517 540008726 /nfs/dbraw/zinc/00/87/26/540008726.db2.gz TYGNCEGFCRBGOZ-KRWDZBQOSA-N 2 1 285.435 2.002 10 0 CEAEMP C[C@@H](CC1CCCC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679038237 541208810 /nfs/dbraw/zinc/20/88/10/541208810.db2.gz HJMFHYHBMJYUNB-ZDUSSCGKSA-N 2 1 254.418 2.002 10 0 CEAEMP CCC(CC)[C@H](C[NH2+]C1CCC([NH3+])CC1)[NH+](C)C ZINC000094075615 364250502 /nfs/dbraw/zinc/25/05/02/364250502.db2.gz KQDQGMYNDWBYHL-NRXISQOPSA-N 3 1 255.450 2.212 10 0 CEAEMP CCCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000117880178 365129981 /nfs/dbraw/zinc/12/99/81/365129981.db2.gz LAZHBOUASUAFLF-CQSZACIVSA-N 2 1 256.434 2.201 10 0 CEAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC000275579963 193079385 /nfs/dbraw/zinc/07/93/85/193079385.db2.gz OYAHDFXFSSINLR-CQSZACIVSA-N 2 1 299.374 2.007 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631837631 367577577 /nfs/dbraw/zinc/57/75/77/367577577.db2.gz VISJGSYZZWGELQ-DOMZBBRYSA-N 2 1 255.365 2.261 10 0 CEAEMP COCCCC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195284052 370122857 /nfs/dbraw/zinc/12/28/57/370122857.db2.gz UBDAKXVRIIUSPG-KRWDZBQOSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284052 370122864 /nfs/dbraw/zinc/12/28/64/370122864.db2.gz UBDAKXVRIIUSPG-KRWDZBQOSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284052 370122869 /nfs/dbraw/zinc/12/28/69/370122869.db2.gz UBDAKXVRIIUSPG-KRWDZBQOSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284052 370122873 /nfs/dbraw/zinc/12/28/73/370122873.db2.gz UBDAKXVRIIUSPG-KRWDZBQOSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195284052 370122878 /nfs/dbraw/zinc/12/28/78/370122878.db2.gz UBDAKXVRIIUSPG-KRWDZBQOSA-N 2 1 291.439 2.262 10 0 CEAEMP C[N@@H+](CCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000231668199 370486195 /nfs/dbraw/zinc/48/61/95/370486195.db2.gz DQTASGHLQNZSIU-INIZCTEOSA-N 2 1 274.408 2.238 10 0 CEAEMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccccc2)CC[N@H+]1C ZINC000247970010 371152123 /nfs/dbraw/zinc/15/21/23/371152123.db2.gz IXNRRRANGGKUPG-DJIMGWMZSA-N 2 1 275.440 2.362 10 0 CEAEMP OC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000257183837 371604845 /nfs/dbraw/zinc/60/48/45/371604845.db2.gz SJXXRRJFVYVZSF-AWEZNQCLSA-N 2 1 294.826 2.134 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000261792274 371734423 /nfs/dbraw/zinc/73/44/23/371734423.db2.gz GHFVTQIKRMWCOM-KCQAQPDRSA-N 2 1 278.371 2.394 10 0 CEAEMP Cc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261834275 371745342 /nfs/dbraw/zinc/74/53/42/371745342.db2.gz TYKNSUMXNDIOAU-WBVHZDCISA-N 2 1 285.391 2.466 10 0 CEAEMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000261874575 371757263 /nfs/dbraw/zinc/75/72/63/371757263.db2.gz DODBKRHGPSAUGD-ZNMIVQPWSA-N 2 1 266.429 2.313 10 0 CEAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261981240 371788503 /nfs/dbraw/zinc/78/85/03/371788503.db2.gz RQCZQRRPMCQUSG-CWVYHPPDSA-N 2 1 266.429 2.312 10 0 CEAEMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000262317732 371851201 /nfs/dbraw/zinc/85/12/01/371851201.db2.gz DTMNUNLPDWFBFX-IIAWOOMASA-N 2 1 291.439 2.129 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643454025 373125408 /nfs/dbraw/zinc/12/54/08/373125408.db2.gz BBKPMNRGVDEUBE-KWBADKCTSA-N 2 1 251.374 2.330 10 0 CEAEMP CC[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280640141 375269821 /nfs/dbraw/zinc/26/98/21/375269821.db2.gz ZKRQDYUVAICEAQ-FGTMMUONSA-N 2 1 288.435 2.211 10 0 CEAEMP CC[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280640141 375269828 /nfs/dbraw/zinc/26/98/28/375269828.db2.gz ZKRQDYUVAICEAQ-FGTMMUONSA-N 2 1 288.435 2.211 10 0 CEAEMP CC[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280640141 375269834 /nfs/dbraw/zinc/26/98/34/375269834.db2.gz ZKRQDYUVAICEAQ-FGTMMUONSA-N 2 1 288.435 2.211 10 0 CEAEMP COCC[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1Cl ZINC000094272871 135085955 /nfs/dbraw/zinc/08/59/55/135085955.db2.gz YNCPLBAGUGLWFB-LBPRGKRZSA-N 2 1 283.803 2.330 10 0 CEAEMP Cn1cc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)cn1 ZINC000383291584 395184841 /nfs/dbraw/zinc/18/48/41/395184841.db2.gz LFNZOTPBWHHOGS-INIZCTEOSA-N 2 1 276.428 2.337 10 0 CEAEMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396637472 395218380 /nfs/dbraw/zinc/21/83/80/395218380.db2.gz NZXBMLBZYOCYHY-GZBFAFLISA-N 2 1 262.397 2.356 10 0 CEAEMP CC[NH+](CC)CCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000191469289 153175508 /nfs/dbraw/zinc/17/55/08/153175508.db2.gz LGDRLBLZBGUUKG-UHFFFAOYSA-N 2 1 264.417 2.321 10 0 CEAEMP C[C@@H]([NH3+])[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159906096 162319312 /nfs/dbraw/zinc/31/93/12/162319312.db2.gz ZGCPWYIPXRGDJC-ZJUUUORDSA-N 2 1 284.201 2.408 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000165116765 162342096 /nfs/dbraw/zinc/34/20/96/162342096.db2.gz SJWCYIMAOIUFED-OAGGEKHMSA-N 2 1 295.471 2.132 10 0 CEAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217719 171079646 /nfs/dbraw/zinc/07/96/46/171079646.db2.gz CBYXFOQSWRYYQD-HUUCEWRRSA-N 2 1 255.450 2.168 10 0 CEAEMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000020247183 171100303 /nfs/dbraw/zinc/10/03/03/171100303.db2.gz ILULMJNNQCXWFW-ZDUSSCGKSA-N 2 1 255.365 2.406 10 0 CEAEMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@@H]1C ZINC000022154132 171361174 /nfs/dbraw/zinc/36/11/74/171361174.db2.gz VCGWWUYFTUGTGK-STQMWFEESA-N 2 1 275.396 2.347 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037167002 173001170 /nfs/dbraw/zinc/00/11/70/173001170.db2.gz AGRSAGDYOYJRKT-VIYLOZMYSA-N 2 1 267.461 2.178 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037167002 173001172 /nfs/dbraw/zinc/00/11/72/173001172.db2.gz AGRSAGDYOYJRKT-VIYLOZMYSA-N 2 1 267.461 2.178 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037167002 173001175 /nfs/dbraw/zinc/00/11/75/173001175.db2.gz AGRSAGDYOYJRKT-VIYLOZMYSA-N 2 1 267.461 2.178 10 0 CEAEMP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000037221294 173040078 /nfs/dbraw/zinc/04/00/78/173040078.db2.gz GBANVVFNLYCVKY-HOCLYGCPSA-N 3 1 269.477 2.283 10 0 CEAEMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000040667115 174366158 /nfs/dbraw/zinc/36/61/58/174366158.db2.gz UIGPRUDLOKWPHC-GXTWGEPZSA-N 2 1 276.380 2.235 10 0 CEAEMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@@H+](C)C1 ZINC000040667115 174366160 /nfs/dbraw/zinc/36/61/60/174366160.db2.gz UIGPRUDLOKWPHC-GXTWGEPZSA-N 2 1 276.380 2.235 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccc(O)cc1)C2 ZINC000040734721 174389340 /nfs/dbraw/zinc/38/93/40/174389340.db2.gz LRPSLVRYFJWNHV-GOOCMWNKSA-N 2 1 260.381 2.150 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2ccnc2)cc1 ZINC000040750309 174394867 /nfs/dbraw/zinc/39/48/67/174394867.db2.gz WBKXMNYIYXDUPE-ZXFUBFMLSA-N 2 1 282.391 2.326 10 0 CEAEMP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818564 175114096 /nfs/dbraw/zinc/11/40/96/175114096.db2.gz APBRFWDMSNIVBF-ZWKOTPCHSA-N 2 1 287.451 2.290 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043901834 175122209 /nfs/dbraw/zinc/12/22/09/175122209.db2.gz LESLVFHJMCGILG-HOTGVXAUSA-N 2 1 261.413 2.477 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901834 175122210 /nfs/dbraw/zinc/12/22/10/175122210.db2.gz LESLVFHJMCGILG-HOTGVXAUSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970966 175132044 /nfs/dbraw/zinc/13/20/44/175132044.db2.gz PHVISCQNQQALPJ-OAGGEKHMSA-N 2 1 286.460 2.138 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970966 175132045 /nfs/dbraw/zinc/13/20/45/175132045.db2.gz PHVISCQNQQALPJ-OAGGEKHMSA-N 2 1 286.460 2.138 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CC[C@@H](C)[NH2+]C[C@@H](C)C2)C1 ZINC000045136759 175314210 /nfs/dbraw/zinc/31/42/10/175314210.db2.gz ZHVKZMNCSVMJLS-OAGGEKHMSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[N@@H+]1CC[C@@H](C[NH+]2CC[C@@H](C)[NH2+]C[C@@H](C)C2)C1 ZINC000045136759 175314212 /nfs/dbraw/zinc/31/42/12/175314212.db2.gz ZHVKZMNCSVMJLS-OAGGEKHMSA-N 3 1 267.461 2.037 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH+]2CC[C@@H](C)[NH2+]C[C@@H](C)C2)C1 ZINC000045136759 175314214 /nfs/dbraw/zinc/31/42/14/175314214.db2.gz ZHVKZMNCSVMJLS-OAGGEKHMSA-N 3 1 267.461 2.037 10 0 CEAEMP CC(C)[NH+]1CC[C@@H](C[N@@H+]2CC[C@@H](C)[NH2+]C[C@@H](C)C2)C1 ZINC000045136759 175314215 /nfs/dbraw/zinc/31/42/15/175314215.db2.gz ZHVKZMNCSVMJLS-OAGGEKHMSA-N 3 1 267.461 2.037 10 0 CEAEMP CC(C)[NH+]1CC[C@@H](C[N@H+]2CC[C@@H](C)[NH2+]C[C@@H](C)C2)C1 ZINC000045136759 175314216 /nfs/dbraw/zinc/31/42/16/175314216.db2.gz ZHVKZMNCSVMJLS-OAGGEKHMSA-N 3 1 267.461 2.037 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H](C)C1)C(N)=O ZINC000045377215 175367150 /nfs/dbraw/zinc/36/71/50/175367150.db2.gz PXOZJBYUUGAOAO-ZBFHGGJFSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045382172 175369611 /nfs/dbraw/zinc/36/96/11/175369611.db2.gz ZIDYOBTZGCAHBS-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045382172 175369613 /nfs/dbraw/zinc/36/96/13/175369613.db2.gz ZIDYOBTZGCAHBS-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP COC(=O)[C@@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381035 175370308 /nfs/dbraw/zinc/37/03/08/175370308.db2.gz DAORWEPAYICZPH-OAHLLOKOSA-N 2 1 272.433 2.284 10 0 CEAEMP COC(=O)[C@@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381035 175370309 /nfs/dbraw/zinc/37/03/09/175370309.db2.gz DAORWEPAYICZPH-OAHLLOKOSA-N 2 1 272.433 2.284 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C ZINC000045384846 175371793 /nfs/dbraw/zinc/37/17/93/175371793.db2.gz GURVWOSPBREASL-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C ZINC000045384846 175371795 /nfs/dbraw/zinc/37/17/95/175371795.db2.gz GURVWOSPBREASL-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045387996 175373799 /nfs/dbraw/zinc/37/37/99/175373799.db2.gz NBIDKSLPNNIUFY-OAHLLOKOSA-N 2 1 271.449 2.132 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390679 175374844 /nfs/dbraw/zinc/37/48/44/175374844.db2.gz QGXHSPDXNSNMRS-MRXNPFEDSA-N 2 1 281.444 2.027 10 0 CEAEMP CCC(CC)[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045391418 175375129 /nfs/dbraw/zinc/37/51/29/175375129.db2.gz OVNOVQSWVZNVBN-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(CC)[N@@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045391418 175375130 /nfs/dbraw/zinc/37/51/30/175375130.db2.gz OVNOVQSWVZNVBN-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393010 175375732 /nfs/dbraw/zinc/37/57/32/175375732.db2.gz UYYYBGYZBFAPGV-WFASDCNBSA-N 2 1 270.417 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393010 175375733 /nfs/dbraw/zinc/37/57/33/175375733.db2.gz UYYYBGYZBFAPGV-WFASDCNBSA-N 2 1 270.417 2.038 10 0 CEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148946 176044654 /nfs/dbraw/zinc/04/46/54/176044654.db2.gz KKMRDXFNGYJLRE-LSDHHAIUSA-N 2 1 267.461 2.038 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000071188078 176061150 /nfs/dbraw/zinc/06/11/50/176061150.db2.gz WIHSVILRDFNKRT-WFASDCNBSA-N 2 1 281.831 2.223 10 0 CEAEMP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071187916 176062150 /nfs/dbraw/zinc/06/21/50/176062150.db2.gz AHKUXAKTXWDQHC-GZBFAFLISA-N 2 1 281.469 2.328 10 0 CEAEMP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)c2c[nH+]ccc21 ZINC000071188496 176062910 /nfs/dbraw/zinc/06/29/10/176062910.db2.gz LJAKVBPUNBMEGD-LBPRGKRZSA-N 2 1 270.380 2.205 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(N)c2c[nH+]ccc21 ZINC000071188496 176062911 /nfs/dbraw/zinc/06/29/11/176062911.db2.gz LJAKVBPUNBMEGD-LBPRGKRZSA-N 2 1 270.380 2.205 10 0 CEAEMP CCC[C@H]1CC[C@@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190582 176067213 /nfs/dbraw/zinc/06/72/13/176067213.db2.gz DBCAKVYFWDOSGU-ZJIFWQFVSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190582 176067214 /nfs/dbraw/zinc/06/72/14/176067214.db2.gz DBCAKVYFWDOSGU-ZJIFWQFVSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190582 176067215 /nfs/dbraw/zinc/06/72/15/176067215.db2.gz DBCAKVYFWDOSGU-ZJIFWQFVSA-N 2 1 268.445 2.200 10 0 CEAEMP CC[C@@](C)(C[NH2+]C(C)C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191482 176069645 /nfs/dbraw/zinc/06/96/45/176069645.db2.gz IALNHECVYJLSRI-CVEARBPZSA-N 2 1 269.477 2.284 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191399 176070405 /nfs/dbraw/zinc/07/04/05/176070405.db2.gz OYVKOTMVUPMOHS-ZACQAIPSSA-N 2 1 281.488 2.428 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccnn2C)C1 ZINC000071333315 176126155 /nfs/dbraw/zinc/12/61/55/176126155.db2.gz ZHUYSAGUVCPVNP-ZIAGYGMSSA-N 2 1 264.417 2.020 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccnn2C)C1 ZINC000071333315 176126157 /nfs/dbraw/zinc/12/61/57/176126157.db2.gz ZHUYSAGUVCPVNP-ZIAGYGMSSA-N 2 1 264.417 2.020 10 0 CEAEMP c1cc(CCNc2ccc(C[C@@H]3CC[NH2+]C3)c[nH+]2)ccn1 ZINC000072366214 176381226 /nfs/dbraw/zinc/38/12/26/176381226.db2.gz PMJQQMXLQXMYEE-INIZCTEOSA-N 2 1 282.391 2.283 10 0 CEAEMP Brc1c[nH+]ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261593415 273476967 /nfs/dbraw/zinc/47/69/67/273476967.db2.gz WUKDELZQTXVSNA-GXSJLCMTSA-N 2 1 282.185 2.032 10 0 CEAEMP CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151142201 277216276 /nfs/dbraw/zinc/21/62/76/277216276.db2.gz GTWIVWFVWIMDBV-JKSUJKDBSA-N 2 1 298.471 2.113 10 0 CEAEMP Brc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258948216 280528332 /nfs/dbraw/zinc/52/83/32/280528332.db2.gz QXRKSQRORHCCCR-SNVBAGLBSA-N 2 1 269.186 2.148 10 0 CEAEMP Cc1ccc2[nH+]ccc(NC[C@@H]3C[N@H+](C)CCO3)c2c1 ZINC000185561467 281171673 /nfs/dbraw/zinc/17/16/73/281171673.db2.gz IGHWSBDICWJOII-CYBMUJFWSA-N 2 1 271.364 2.286 10 0 CEAEMP Cc1ccc2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCO3)c2c1 ZINC000185561467 281171675 /nfs/dbraw/zinc/17/16/75/281171675.db2.gz IGHWSBDICWJOII-CYBMUJFWSA-N 2 1 271.364 2.286 10 0 CEAEMP C[C@H](O)C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000123821358 290148744 /nfs/dbraw/zinc/14/87/44/290148744.db2.gz SMBYAGABOUNUMB-LSDHHAIUSA-N 2 1 254.418 2.098 10 0 CEAEMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219032 314253803 /nfs/dbraw/zinc/25/38/03/314253803.db2.gz UUAIHGDLDFVKIB-OAGGEKHMSA-N 3 1 267.461 2.086 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)CC2CC2)CCOCC1 ZINC000052182152 519719960 /nfs/dbraw/zinc/71/99/60/519719960.db2.gz ODEXIHTZYNNQHC-UHFFFAOYSA-N 2 1 254.418 2.123 10 0 CEAEMP CCCC1CCN([C@]2(C[NH3+])CC[N@H+](C(C)C)C2)CC1 ZINC000050893249 519903279 /nfs/dbraw/zinc/90/32/79/519903279.db2.gz LDPNCCZGLWDUHA-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@@H](C)CC)on1 ZINC000052547323 519945320 /nfs/dbraw/zinc/94/53/20/519945320.db2.gz WSCVNMRJRYFBNE-ZDUSSCGKSA-N 2 1 283.416 2.421 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630339 520044443 /nfs/dbraw/zinc/04/44/43/520044443.db2.gz LORLQKBXZOZNHX-XEZPLFJOSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630339 520044449 /nfs/dbraw/zinc/04/44/49/520044449.db2.gz LORLQKBXZOZNHX-XEZPLFJOSA-N 2 1 285.476 2.375 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635783 520139915 /nfs/dbraw/zinc/13/99/15/520139915.db2.gz RQTQPYZGSQNCMA-NHIYQJMISA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635783 520139924 /nfs/dbraw/zinc/13/99/24/520139924.db2.gz RQTQPYZGSQNCMA-NHIYQJMISA-N 2 1 283.460 2.129 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])oc2C)C1 ZINC000052372229 520318966 /nfs/dbraw/zinc/31/89/66/520318966.db2.gz AYSLZTGOFDQCPA-CYBMUJFWSA-N 2 1 252.358 2.048 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]CC(C)C)C1 ZINC000052372117 520320138 /nfs/dbraw/zinc/32/01/38/520320138.db2.gz AQRBCESKARMKKX-LSDHHAIUSA-N 2 1 256.434 2.369 10 0 CEAEMP CCO[C@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052372266 520526704 /nfs/dbraw/zinc/52/67/04/520526704.db2.gz LQDYTDUIVYABMZ-ZFWWWQNUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1cc(C[NH3+])c(C)o1 ZINC000052547303 522092609 /nfs/dbraw/zinc/09/26/09/522092609.db2.gz MIMTXQYDRJOPTJ-LLVKDONJSA-N 2 1 254.374 2.294 10 0 CEAEMP CC(C)(C)[NH2+]CCCCCN1CC[NH+](C2CC2)CC1 ZINC000052371377 518755246 /nfs/dbraw/zinc/75/52/46/518755246.db2.gz UIRDPOXZFWCRCT-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)(C)[NH2+]C[C@]1(C[N@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763315 518762747 /nfs/dbraw/zinc/76/27/47/518762747.db2.gz DUPCWDOCPHMLLL-WBVHZDCISA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763385 519743002 /nfs/dbraw/zinc/74/30/02/519743002.db2.gz JJEXTNUGBKRHDW-OAHLLOKOSA-N 2 1 270.461 2.495 10 0 CEAEMP CC(C)C[NH2+]CC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000068690230 519743340 /nfs/dbraw/zinc/74/33/40/519743340.db2.gz OJAYIPPVGPHVAM-UHFFFAOYSA-N 2 1 291.443 2.005 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480100 519743538 /nfs/dbraw/zinc/74/35/38/519743538.db2.gz RSMISRDHJDCELM-INIZCTEOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069311271 519746000 /nfs/dbraw/zinc/74/60/00/519746000.db2.gz GATVMERHEVJXSE-CQSZACIVSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)O1 ZINC000052479537 519746404 /nfs/dbraw/zinc/74/64/04/519746404.db2.gz PPRFEBRMZUDHPK-SJORKVTESA-N 2 1 291.439 2.307 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](CC(C)C)C(C)C)nn1 ZINC000052572602 519748099 /nfs/dbraw/zinc/74/80/99/519748099.db2.gz HKGNSNJMCOKSGT-UHFFFAOYSA-N 2 1 295.475 2.390 10 0 CEAEMP CCC[NH+]1CCC([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049195267 519847039 /nfs/dbraw/zinc/84/70/39/519847039.db2.gz WTEPHXYEJKKDJW-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CCCC1CC[NH+](CCC[C@](C)([NH3+])C(=O)OC)CC1 ZINC000050905756 519900719 /nfs/dbraw/zinc/90/07/19/519900719.db2.gz FXKCAANBPNTPAL-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC[N@@H+](CC)C1 ZINC000054602139 519910161 /nfs/dbraw/zinc/91/01/61/519910161.db2.gz QGZXUENHSSYQRO-MGNMYUMUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181436 519911954 /nfs/dbraw/zinc/91/19/54/519911954.db2.gz ONJNPPQPNFQOGW-CQSZACIVSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CCc2ccncc2)O1 ZINC000052483148 519925554 /nfs/dbraw/zinc/92/55/54/519925554.db2.gz ZIMLLTGVLDHPGN-DLBZAZTESA-N 2 1 291.439 2.103 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CC)Cc2ccncc2)O1 ZINC000052515070 519979717 /nfs/dbraw/zinc/97/97/17/519979717.db2.gz ZZASOWSJBWCSAO-HZPDHXFCSA-N 2 1 277.412 2.061 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CCOC)[C@H](C)COC)cc1 ZINC000052572426 519995367 /nfs/dbraw/zinc/99/53/67/519995367.db2.gz SEDBFOAGSPLCSP-OAHLLOKOSA-N 2 1 294.439 2.279 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)COC)cc1 ZINC000052511847 519995390 /nfs/dbraw/zinc/99/53/90/519995390.db2.gz KBSWDXKOUGAPAV-ZDUSSCGKSA-N 2 1 250.386 2.263 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)[C@H](C)COC)c1 ZINC000052511405 520003254 /nfs/dbraw/zinc/00/32/54/520003254.db2.gz DTFUQKRDHRUPIB-CYBMUJFWSA-N 2 1 250.386 2.263 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476741 520008511 /nfs/dbraw/zinc/00/85/11/520008511.db2.gz RAXIKXOUYQFQPJ-KBPBESRZSA-N 2 1 262.397 2.405 10 0 CEAEMP CCC[NH2+][C@H](C)[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000068689905 520064048 /nfs/dbraw/zinc/06/40/48/520064048.db2.gz IYFOKJGICOKEFX-KGLIPLIRSA-N 2 1 291.443 2.147 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068647978 520111601 /nfs/dbraw/zinc/11/16/01/520111601.db2.gz JBDIKEAHAATLBT-CXAGYDPISA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711878 520189425 /nfs/dbraw/zinc/18/94/25/520189425.db2.gz BQGAYBILRLYXRO-GOEBONIOSA-N 2 1 262.397 2.102 10 0 CEAEMP CC[NH2+][C@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711878 520189434 /nfs/dbraw/zinc/18/94/34/520189434.db2.gz BQGAYBILRLYXRO-GOEBONIOSA-N 2 1 262.397 2.102 10 0 CEAEMP CC[NH2+][C@H]1CCCc2nc(N3CCC[N@@H+](C)CC3)sc21 ZINC000054899118 520216085 /nfs/dbraw/zinc/21/60/85/520216085.db2.gz DNPXSBPBTRETPK-LBPRGKRZSA-N 2 1 294.468 2.272 10 0 CEAEMP CCCOc1ccc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)cc1 ZINC000052919928 520417955 /nfs/dbraw/zinc/41/79/55/520417955.db2.gz CDGFPXSQRAUPSI-QGZVFWFLSA-N 2 1 291.439 2.113 10 0 CEAEMP CC[NH+](CC)C[C@H](C)NCC[C@@H]1CCCC[N@H+]1C ZINC000052206270 520734711 /nfs/dbraw/zinc/73/47/11/520734711.db2.gz YOKBOLQQXFNSOU-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763309 520908883 /nfs/dbraw/zinc/90/88/83/520908883.db2.gz MRVUCFNKLCWGLA-CABCVRRESA-N 2 1 256.434 2.249 10 0 CEAEMP CCCC[C@](CC)(C[NH3+])N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000069380857 521253173 /nfs/dbraw/zinc/25/31/73/521253173.db2.gz RLADSAXDBBFTQW-HUUCEWRRSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC1(C)CC[NH+]([C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000068645271 521678240 /nfs/dbraw/zinc/67/82/40/521678240.db2.gz LPJGSSNGDKEBLU-CXAGYDPISA-N 2 1 295.471 2.273 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCCN(C)CC1 ZINC000052424321 522101634 /nfs/dbraw/zinc/10/16/34/522101634.db2.gz YQWCGWUGHIYJAS-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1CN1CCC[N@H+](C)CC1 ZINC000052424321 522101641 /nfs/dbraw/zinc/10/16/41/522101641.db2.gz YQWCGWUGHIYJAS-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1CN1CCC[N@@H+](C)CC1 ZINC000052424321 522101647 /nfs/dbraw/zinc/10/16/47/522101647.db2.gz YQWCGWUGHIYJAS-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP CN(C)c1nc(N(CCC[NH3+])C2CCCCC2)cc[nH+]1 ZINC000068689996 522360787 /nfs/dbraw/zinc/36/07/87/522360787.db2.gz NAHLULMDZDKIFS-UHFFFAOYSA-N 2 1 277.416 2.031 10 0 CEAEMP CCc1nc(N2CC[NH+](CC)CC2)sc1C[NH2+]C(C)C ZINC000054994836 522386591 /nfs/dbraw/zinc/38/65/91/522386591.db2.gz IRUXRVWBDDJOJR-UHFFFAOYSA-N 2 1 296.484 2.345 10 0 CEAEMP CC[C@@H]([NH3+])Cc1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000054741574 522645283 /nfs/dbraw/zinc/64/52/83/522645283.db2.gz FOEZKZQLSBBHSV-CQSZACIVSA-N 2 1 288.395 2.232 10 0 CEAEMP C[N@@H+](CCCCC[NH2+]C1CC1)CCc1ccncc1 ZINC000052483135 522731250 /nfs/dbraw/zinc/73/12/50/522731250.db2.gz FIMOADOGZXJESX-UHFFFAOYSA-N 2 1 261.413 2.478 10 0 CEAEMP COC[C@H]1CC[N@@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000069375143 522843882 /nfs/dbraw/zinc/84/38/82/522843882.db2.gz ATOMNZQITOXQIB-HIFPTAJRSA-N 2 1 294.361 2.405 10 0 CEAEMP COC[C@H]1CC[N@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000069375143 522843890 /nfs/dbraw/zinc/84/38/90/522843890.db2.gz ATOMNZQITOXQIB-HIFPTAJRSA-N 2 1 294.361 2.405 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052346360 523227164 /nfs/dbraw/zinc/22/71/64/523227164.db2.gz QBEVSVZHWVIKQR-ZIAGYGMSSA-N 2 1 268.788 2.278 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H](C)CCC[NH2+]C(C)C ZINC000052543281 523259280 /nfs/dbraw/zinc/25/92/80/523259280.db2.gz QGZWOTUUDZVWJQ-HNNXBMFYSA-N 2 1 274.449 2.138 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197579 523342212 /nfs/dbraw/zinc/34/22/12/523342212.db2.gz BPDCJLWHLSGCLL-HOTGVXAUSA-N 2 1 298.471 2.281 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197579 523342215 /nfs/dbraw/zinc/34/22/15/523342215.db2.gz BPDCJLWHLSGCLL-HOTGVXAUSA-N 2 1 298.471 2.281 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])ccc1OC ZINC000050125089 523507753 /nfs/dbraw/zinc/50/77/53/523507753.db2.gz CVHGNSRTOSCYPZ-SWLSCSKDSA-N 2 1 278.396 2.153 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])ccc1OC ZINC000050125089 523507761 /nfs/dbraw/zinc/50/77/61/523507761.db2.gz CVHGNSRTOSCYPZ-SWLSCSKDSA-N 2 1 278.396 2.153 10 0 CEAEMP COCC[N@@H+](Cc1ccoc1C[NH2+]C(C)C)[C@H](C)COC ZINC000052572351 523771138 /nfs/dbraw/zinc/77/11/38/523771138.db2.gz RNOVSTURMPAPLO-CQSZACIVSA-N 2 1 298.427 2.261 10 0 CEAEMP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC000049147232 524927206 /nfs/dbraw/zinc/92/72/06/524927206.db2.gz WOPQHZLLCQGFLF-ZFWWWQNUSA-N 2 1 258.365 2.370 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503347 526768412 /nfs/dbraw/zinc/76/84/12/526768412.db2.gz YWJRVQHRQRMEKU-UHFFFAOYSA-N 2 1 267.417 2.066 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503347 526768418 /nfs/dbraw/zinc/76/84/18/526768418.db2.gz YWJRVQHRQRMEKU-UHFFFAOYSA-N 2 1 267.417 2.066 10 0 CEAEMP Cc1oc(C[NH+]2CCN(c3ccccc3)CC2)cc1C[NH3+] ZINC000052417311 526770604 /nfs/dbraw/zinc/77/06/04/526770604.db2.gz SANRTDUBUGRALG-UHFFFAOYSA-N 2 1 285.391 2.369 10 0 CEAEMP Cc1oc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1C[NH3+] ZINC000052573113 526771608 /nfs/dbraw/zinc/77/16/08/526771608.db2.gz NLYNRUUFKMTBMV-LSDHHAIUSA-N 2 1 264.369 2.190 10 0 CEAEMP Cc1oc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1C[NH3+] ZINC000052573113 526771613 /nfs/dbraw/zinc/77/16/13/526771613.db2.gz NLYNRUUFKMTBMV-LSDHHAIUSA-N 2 1 264.369 2.190 10 0 CEAEMP [NH3+]CCC[N@@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000049310708 527178929 /nfs/dbraw/zinc/17/89/29/527178929.db2.gz AKFUQGDFVHEIMG-UHFFFAOYSA-N 2 1 268.323 2.159 10 0 CEAEMP [NH3+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@H]3CCCC[C@H]32)O1 ZINC000052482568 527239242 /nfs/dbraw/zinc/23/92/42/527239242.db2.gz CEJLHOJJERHEMC-APIJFGDWSA-N 2 1 252.402 2.147 10 0 CEAEMP [NH3+]Cc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000069401486 527254543 /nfs/dbraw/zinc/25/45/43/527254543.db2.gz VMMVNAFACNNRSV-JKSUJKDBSA-N 2 1 278.371 2.428 10 0 CEAEMP [NH3+]Cc1ccc(F)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000069401486 527254550 /nfs/dbraw/zinc/25/45/50/527254550.db2.gz VMMVNAFACNNRSV-JKSUJKDBSA-N 2 1 278.371 2.428 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000068704654 527425946 /nfs/dbraw/zinc/42/59/46/527425946.db2.gz VPVJEPQESRRMAY-INIZCTEOSA-N 2 1 290.455 2.434 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C(C)C)[NH2+]CC12CCCC2 ZINC000068704652 527426758 /nfs/dbraw/zinc/42/67/58/527426758.db2.gz VPVJEPQESRRMAY-MRXNPFEDSA-N 2 1 290.455 2.434 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052576198 527443178 /nfs/dbraw/zinc/44/31/78/527443178.db2.gz XUGAFPVISGMWQJ-STQMWFEESA-N 2 1 251.374 2.127 10 0 CEAEMP CC[NH2+]Cc1cc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccn1 ZINC000094443300 535478615 /nfs/dbraw/zinc/47/86/15/535478615.db2.gz SDAIFYAHFGANHX-YOEHRIQHSA-N 2 1 288.439 2.254 10 0 CEAEMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262011598 629435936 /nfs/dbraw/zinc/43/59/36/629435936.db2.gz VPMZDPPLVPKRSD-ZACQAIPSSA-N 2 1 274.408 2.242 10 0 CEAEMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000096947337 185136653 /nfs/dbraw/zinc/13/66/53/185136653.db2.gz PMVFAIGKUCMDTQ-IRXDYDNUSA-N 2 1 267.376 2.398 10 0 CEAEMP CC(C)NC(=O)CC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403557 179053215 /nfs/dbraw/zinc/05/32/15/179053215.db2.gz PHIUYMMMCPLZOJ-MRXNPFEDSA-N 2 1 295.471 2.145 10 0 CEAEMP CC(C)[N@H+](C)CCCCNc1cc[nH+]c(N(C)C)n1 ZINC000085431598 179060153 /nfs/dbraw/zinc/06/01/53/179060153.db2.gz APQQQEIIMKLYNR-UHFFFAOYSA-N 2 1 265.405 2.075 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNc1cc[nH+]c(N(C)C)n1 ZINC000085431598 179060156 /nfs/dbraw/zinc/06/01/56/179060156.db2.gz APQQQEIIMKLYNR-UHFFFAOYSA-N 2 1 265.405 2.075 10 0 CEAEMP CC[C@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(CC)C[NH2+]1 ZINC000085474483 179078596 /nfs/dbraw/zinc/07/85/96/179078596.db2.gz PZAMFHXWJALXEM-GJZGRUSLSA-N 2 1 264.417 2.044 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085620433 179105601 /nfs/dbraw/zinc/10/56/01/179105601.db2.gz SYOMWRBOJJZKGW-MNOVXSKESA-N 2 1 268.323 2.028 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000085810298 179177357 /nfs/dbraw/zinc/17/73/57/179177357.db2.gz NOWVNCFNVKVNKQ-XQQFMLRXSA-N 2 1 275.396 2.345 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC000086145705 179238505 /nfs/dbraw/zinc/23/85/05/179238505.db2.gz FHAVKFHROABFPD-HNNXBMFYSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+]1CCC(CN2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086145705 179238507 /nfs/dbraw/zinc/23/85/07/179238507.db2.gz FHAVKFHROABFPD-HNNXBMFYSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086143083 179237473 /nfs/dbraw/zinc/23/74/73/179237473.db2.gz PEMWAVNRQTVVTM-ZWKOTPCHSA-N 2 1 287.451 2.291 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086146541 179238367 /nfs/dbraw/zinc/23/83/67/179238367.db2.gz SYEOVLQVNIEKDI-GJZGRUSLSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086173728 179244761 /nfs/dbraw/zinc/24/47/61/179244761.db2.gz AFLHUGRBBIJFPQ-IXDOHACOSA-N 2 1 281.488 2.283 10 0 CEAEMP C[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086172097 179244862 /nfs/dbraw/zinc/24/48/62/179244862.db2.gz XLAQOGSEGPKNAC-OIISXLGYSA-N 2 1 273.424 2.116 10 0 CEAEMP C[C@H]1CN[C@H](Cc2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086174300 179245650 /nfs/dbraw/zinc/24/56/50/179245650.db2.gz ULKGADNLNFBVNH-FUHWJXTLSA-N 2 1 289.467 2.233 10 0 CEAEMP C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCCC[NH+](C)C ZINC000086174300 179245651 /nfs/dbraw/zinc/24/56/51/179245651.db2.gz ULKGADNLNFBVNH-FUHWJXTLSA-N 2 1 289.467 2.233 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146568 179238901 /nfs/dbraw/zinc/23/89/01/179238901.db2.gz PDSJBLLTBCWNEN-JKSUJKDBSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223102 179251192 /nfs/dbraw/zinc/25/11/92/179251192.db2.gz OKKXXQPCBDAVJH-RBSFLKMASA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@]1(C)CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259210 179257666 /nfs/dbraw/zinc/25/76/66/179257666.db2.gz BBDKCWVJMMOAJQ-IKGGRYGDSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(C)(C)C)NC[C@@H]2C)CC1 ZINC000086259177 179258025 /nfs/dbraw/zinc/25/80/25/179258025.db2.gz DTDQEYVQGOFGJC-GOEBONIOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086259177 179258027 /nfs/dbraw/zinc/25/80/27/179258027.db2.gz DTDQEYVQGOFGJC-GOEBONIOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1CN[C@H](C2CC2)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086259157 179258159 /nfs/dbraw/zinc/25/81/59/179258159.db2.gz FJDUOXKXZZCJMJ-SJORKVTESA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CC1CC[NH+](CC)CC1 ZINC000086259157 179258160 /nfs/dbraw/zinc/25/81/60/179258160.db2.gz FJDUOXKXZZCJMJ-SJORKVTESA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261097 179260236 /nfs/dbraw/zinc/26/02/36/179260236.db2.gz OWUYBXWUKYNHCL-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@@H]1CN(CCCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086261097 179260238 /nfs/dbraw/zinc/26/02/38/179260238.db2.gz OWUYBXWUKYNHCL-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287085 179264360 /nfs/dbraw/zinc/26/43/60/179264360.db2.gz GFMRCZKLCPPUPS-AJNGGQMLSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287088 179264833 /nfs/dbraw/zinc/26/48/33/179264833.db2.gz YFWWJWLWBDMBJF-ZNMIVQPWSA-N 2 1 254.418 2.264 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288186 179264904 /nfs/dbraw/zinc/26/49/04/179264904.db2.gz RTFQFRBTWGMDAH-INIZCTEOSA-N 2 1 259.397 2.088 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086258995 179256543 /nfs/dbraw/zinc/25/65/43/179256543.db2.gz LPDYRJAWIIYSAG-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1CN[C@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258973 179256747 /nfs/dbraw/zinc/25/67/47/179256747.db2.gz JQOWBEIKTRDVAT-QAPCUYQASA-N 2 1 287.451 2.363 10 0 CEAEMP C[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259228 179257588 /nfs/dbraw/zinc/25/75/88/179257588.db2.gz ZPMGSGHRVSPUFL-JKSUJKDBSA-N 2 1 279.472 2.325 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CCC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086293032 179266337 /nfs/dbraw/zinc/26/63/37/179266337.db2.gz SDULZPVDRKKBQG-DOTOQJQBSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292982 179266501 /nfs/dbraw/zinc/26/65/01/179266501.db2.gz VFWWJQAFVIRVKE-IXDOHACOSA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCCN[C@@H](c3ccccc3)C2)CC1 ZINC000086291474 179266941 /nfs/dbraw/zinc/26/69/41/179266941.db2.gz DLNQFVHYSHCBRC-GOSISDBHSA-N 2 1 287.451 2.365 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293360 179268150 /nfs/dbraw/zinc/26/81/50/179268150.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293360 179268153 /nfs/dbraw/zinc/26/81/53/179268153.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293360 179268155 /nfs/dbraw/zinc/26/81/55/179268155.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1CN(CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293360 179268157 /nfs/dbraw/zinc/26/81/57/179268157.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1CN(CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293360 179268158 /nfs/dbraw/zinc/26/81/58/179268158.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@@]1(C2CC2)C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296852 179268403 /nfs/dbraw/zinc/26/84/03/179268403.db2.gz AGKCPJITSWIORM-AWEZNQCLSA-N 2 1 265.426 2.150 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296852 179268404 /nfs/dbraw/zinc/26/84/04/179268404.db2.gz AGKCPJITSWIORM-AWEZNQCLSA-N 2 1 265.426 2.150 10 0 CEAEMP Cc1[nH+]ccn1CCO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713101 179322869 /nfs/dbraw/zinc/32/28/69/179322869.db2.gz NROKQHFCSLZLRY-TZMCWYRMSA-N 2 1 251.374 2.116 10 0 CEAEMP COc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086817081 179344315 /nfs/dbraw/zinc/34/43/15/179344315.db2.gz CLCVWFKZMRKVGG-HNNXBMFYSA-N 2 1 262.397 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccc(C)o2)CC1 ZINC000086846957 179356545 /nfs/dbraw/zinc/35/65/45/179356545.db2.gz VSZLDEUFOZLYII-INIZCTEOSA-N 2 1 279.428 2.223 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847534 179356555 /nfs/dbraw/zinc/35/65/55/179356555.db2.gz YHLHKIXGBSWFHT-HNNXBMFYSA-N 2 1 285.501 2.017 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836702 179351026 /nfs/dbraw/zinc/35/10/26/179351026.db2.gz GGWIIWWGSYUUET-HOTGVXAUSA-N 2 1 284.444 2.036 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836406 179351243 /nfs/dbraw/zinc/35/12/43/179351243.db2.gz OKWFNLGEBPRBNC-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836406 179351246 /nfs/dbraw/zinc/35/12/46/179351246.db2.gz OKWFNLGEBPRBNC-MRXNPFEDSA-N 3 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836406 179351247 /nfs/dbraw/zinc/35/12/47/179351247.db2.gz OKWFNLGEBPRBNC-MRXNPFEDSA-N 3 1 267.461 2.325 10 0 CEAEMP CC(C)[C@H](CN(C)C)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842884 179352619 /nfs/dbraw/zinc/35/26/19/179352619.db2.gz BZFFZXPRRGSJGU-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H](C[NH+](C)C)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842884 179352621 /nfs/dbraw/zinc/35/26/21/179352621.db2.gz BZFFZXPRRGSJGU-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H](C[NH+](C)C)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842884 179352623 /nfs/dbraw/zinc/35/26/23/179352623.db2.gz BZFFZXPRRGSJGU-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840484 179353650 /nfs/dbraw/zinc/35/36/50/179353650.db2.gz UNZPMYASGDISJK-LSDHHAIUSA-N 2 1 264.417 2.126 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2scnc2C)CC1 ZINC000086844868 179355500 /nfs/dbraw/zinc/35/55/00/179355500.db2.gz LHQRLSCGJPTFJF-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2scnc2C)CC1 ZINC000086844868 179355502 /nfs/dbraw/zinc/35/55/02/179355502.db2.gz LHQRLSCGJPTFJF-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851077 179359924 /nfs/dbraw/zinc/35/99/24/179359924.db2.gz JKAVJNHGKGSZKX-GDBMZVCRSA-N 3 1 267.461 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849654 179358493 /nfs/dbraw/zinc/35/84/93/179358493.db2.gz ZIGBMEURGPHNBJ-MRXNPFEDSA-N 2 1 281.444 2.029 10 0 CEAEMP C1C[NH2+][C@H]([C@@H]2CCC[N@H+]([C@@H]3CCCOCC3)C2)C1 ZINC000086876800 179365493 /nfs/dbraw/zinc/36/54/93/179365493.db2.gz RZEWNOUJWJJPTC-KFWWJZLASA-N 2 1 252.402 2.020 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000086910563 179366861 /nfs/dbraw/zinc/36/68/61/179366861.db2.gz UFVSHQNKMRSUEL-CVEARBPZSA-N 2 1 267.461 2.312 10 0 CEAEMP CC1(C)CCC[C@@](C[NH3+])([N@H+]2CCCOCC2)CC1 ZINC000086913258 179366934 /nfs/dbraw/zinc/36/69/34/179366934.db2.gz QWVFTYWJIZSSTO-OAHLLOKOSA-N 2 1 254.418 2.397 10 0 CEAEMP CCC(O)(CC)C[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000087015076 179380186 /nfs/dbraw/zinc/38/01/86/179380186.db2.gz HLIXJTHETJOICW-AWEZNQCLSA-N 2 1 256.434 2.390 10 0 CEAEMP COc1ccc([C@@H]2[C@@H](C[NH3+])CC[N@@H+]2C2CC2)cc1F ZINC000086994952 179376071 /nfs/dbraw/zinc/37/60/71/179376071.db2.gz POAADTGAXKWGIQ-IAQYHMDHSA-N 2 1 264.344 2.318 10 0 CEAEMP COc1ccc([C@@H]2[C@@H](C[NH3+])CC[N@H+]2C2CC2)cc1F ZINC000086994952 179376073 /nfs/dbraw/zinc/37/60/73/179376073.db2.gz POAADTGAXKWGIQ-IAQYHMDHSA-N 2 1 264.344 2.318 10 0 CEAEMP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087088926 179393595 /nfs/dbraw/zinc/39/35/95/179393595.db2.gz XXWPKYGJJNNMPL-HUUCEWRRSA-N 2 1 268.445 2.392 10 0 CEAEMP COc1ccccc1OCC[N@H+]1CCC[C@@H]1CCC[NH3+] ZINC000088415224 179595394 /nfs/dbraw/zinc/59/53/94/179595394.db2.gz BGSPUXAZWWGVFI-AWEZNQCLSA-N 2 1 278.396 2.277 10 0 CEAEMP C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342605 233176792 /nfs/dbraw/zinc/17/67/92/233176792.db2.gz JDXFSBWLHGIFLG-RYQLBKOJSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342605 233176795 /nfs/dbraw/zinc/17/67/95/233176795.db2.gz JDXFSBWLHGIFLG-RYQLBKOJSA-N 2 1 287.451 2.239 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccccc1OC ZINC000090566336 180005489 /nfs/dbraw/zinc/00/54/89/180005489.db2.gz TXKITIUIIAFRRV-JKSUJKDBSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccccc1OC ZINC000090566336 180005491 /nfs/dbraw/zinc/00/54/91/180005491.db2.gz TXKITIUIIAFRRV-JKSUJKDBSA-N 2 1 292.423 2.142 10 0 CEAEMP CC(C)[N@H+](Cc1ccccc1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606318 180011500 /nfs/dbraw/zinc/01/15/00/180011500.db2.gz NKRYCWAGBOULFQ-JKSUJKDBSA-N 2 1 262.397 2.261 10 0 CEAEMP CC(C)[N@@H+](Cc1ccccc1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606318 180011503 /nfs/dbraw/zinc/01/15/03/180011503.db2.gz NKRYCWAGBOULFQ-JKSUJKDBSA-N 2 1 262.397 2.261 10 0 CEAEMP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000090694209 180026263 /nfs/dbraw/zinc/02/62/63/180026263.db2.gz SAPQWOCOVGVSBJ-OAHLLOKOSA-N 2 1 295.471 2.099 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[N@H+](CCc2cscn2)C1 ZINC000104441279 186002906 /nfs/dbraw/zinc/00/29/06/186002906.db2.gz YMILBFXBPRRJAQ-GFCCVEGCSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000104441279 186002908 /nfs/dbraw/zinc/00/29/08/186002908.db2.gz YMILBFXBPRRJAQ-GFCCVEGCSA-N 2 1 267.442 2.396 10 0 CEAEMP CCC[N@H+](C[C@H]1Cc2ccccc2O1)C(C)(C)C[NH3+] ZINC000090874042 180050259 /nfs/dbraw/zinc/05/02/59/180050259.db2.gz HNAYYVGFIALRSL-CQSZACIVSA-N 2 1 262.397 2.439 10 0 CEAEMP CCC[N@@H+](C[C@H]1Cc2ccccc2O1)C(C)(C)C[NH3+] ZINC000090874042 180050260 /nfs/dbraw/zinc/05/02/60/180050260.db2.gz HNAYYVGFIALRSL-CQSZACIVSA-N 2 1 262.397 2.439 10 0 CEAEMP CC[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CC[NH2+]CC1 ZINC000090894266 180056322 /nfs/dbraw/zinc/05/63/22/180056322.db2.gz ACQHMYQYXLZFFZ-OAHLLOKOSA-N 2 1 278.371 2.203 10 0 CEAEMP CC[C@@H]1C[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896191 180057538 /nfs/dbraw/zinc/05/75/38/180057538.db2.gz IDNGQCITIVHOCW-CABCVRRESA-N 2 1 278.371 2.203 10 0 CEAEMP CC[C@@H]1C[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896191 180057540 /nfs/dbraw/zinc/05/75/40/180057540.db2.gz IDNGQCITIVHOCW-CABCVRRESA-N 2 1 278.371 2.203 10 0 CEAEMP CC[N@@H+](C[C@@H]1Cc2cc(C)ccc2O1)C1CC[NH2+]CC1 ZINC000090900039 180058788 /nfs/dbraw/zinc/05/87/88/180058788.db2.gz SBEHAPYMBZNSSL-INIZCTEOSA-N 2 1 274.408 2.372 10 0 CEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900385 180058823 /nfs/dbraw/zinc/05/88/23/180058823.db2.gz KDCNIAFZFINWMM-YYIAUSFCSA-N 2 1 286.419 2.228 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900116 180059040 /nfs/dbraw/zinc/05/90/40/180059040.db2.gz PPKAXCSICBSBIM-RISCZKNCSA-N 2 1 280.799 2.185 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907812 180061947 /nfs/dbraw/zinc/06/19/47/180061947.db2.gz BAGHYOSXSXIFOM-SOUVJXGZSA-N 2 1 254.418 2.264 10 0 CEAEMP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C[NH2+]C2CC2)c1 ZINC000090907958 180062105 /nfs/dbraw/zinc/06/21/05/180062105.db2.gz HJTCUQGBLOKJNZ-CALCHBBNSA-N 2 1 272.392 2.302 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C[NH2+]C2CC2)c1 ZINC000090907958 180062106 /nfs/dbraw/zinc/06/21/06/180062106.db2.gz HJTCUQGBLOKJNZ-CALCHBBNSA-N 2 1 272.392 2.302 10 0 CEAEMP CC(C)[N@H+]1CCO[C@@H](Cn2cc(C[NH3+])c3ccccc32)C1 ZINC000090994992 180082705 /nfs/dbraw/zinc/08/27/05/180082705.db2.gz GECZJQQSYGLDQJ-OAHLLOKOSA-N 2 1 287.407 2.209 10 0 CEAEMP C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)[C@@H]1C[NH2+]CCO1 ZINC000091313709 180132510 /nfs/dbraw/zinc/13/25/10/180132510.db2.gz UVOLOQKWPMZGDW-RBSFLKMASA-N 2 1 252.402 2.020 10 0 CEAEMP CCC[NH2+]C[C@](C)(CCC)C[N@@H+](C)CC1CC(O)C1 ZINC000091498658 180173786 /nfs/dbraw/zinc/17/37/86/180173786.db2.gz VOPYQZOAAOZDDB-GPANFISMSA-N 2 1 270.461 2.495 10 0 CEAEMP CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091498834 180174115 /nfs/dbraw/zinc/17/41/15/180174115.db2.gz CGNFCXIMUYEBBZ-KNIAUWFNSA-N 2 1 282.472 2.494 10 0 CEAEMP CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091498836 180174124 /nfs/dbraw/zinc/17/41/24/180174124.db2.gz CGNFCXIMUYEBBZ-GRAKBVBRSA-N 2 1 282.472 2.494 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000091404605 180147511 /nfs/dbraw/zinc/14/75/11/180147511.db2.gz QHAMLCMGLLNKFM-UONOGXRCSA-N 2 1 256.434 2.248 10 0 CEAEMP CC[C@@](C)([C@H](Cc1ccccn1)[NH2+]C)[NH+]1CCCC1 ZINC000091606060 180203809 /nfs/dbraw/zinc/20/38/09/180203809.db2.gz LXNADALMEJNUMT-HOTGVXAUSA-N 2 1 261.413 2.477 10 0 CEAEMP CCc1cc(C[C@H]([NH3+])C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640676 180213437 /nfs/dbraw/zinc/21/34/37/180213437.db2.gz ZJCOBOSIMGTKMJ-INIZCTEOSA-N 2 1 290.455 2.261 10 0 CEAEMP Cc1cc2c(n1C[C@H]1C[N@H+](C)CCO1)CC(C)(C)C[C@@H]2[NH3+] ZINC000091679131 180226390 /nfs/dbraw/zinc/22/63/90/180226390.db2.gz FUDAYPGHCYZUEK-HIFRSBDPSA-N 2 1 291.439 2.099 10 0 CEAEMP Cc1cc2c(n1C[C@H]1C[N@@H+](C)CCO1)CC(C)(C)C[C@@H]2[NH3+] ZINC000091679131 180226393 /nfs/dbraw/zinc/22/63/93/180226393.db2.gz FUDAYPGHCYZUEK-HIFRSBDPSA-N 2 1 291.439 2.099 10 0 CEAEMP C[NH2+][C@H](CCCc1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721483 180237671 /nfs/dbraw/zinc/23/76/71/180237671.db2.gz ZYSVHDLMHPNNOE-KZNAEPCWSA-N 2 1 288.435 2.461 10 0 CEAEMP C[NH2+][C@H](CCCc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721483 180237673 /nfs/dbraw/zinc/23/76/73/180237673.db2.gz ZYSVHDLMHPNNOE-KZNAEPCWSA-N 2 1 288.435 2.461 10 0 CEAEMP C[NH2+][C@H](C)c1sc([C@H]2C[N@H+]3CCC[C@@H]3CO2)nc1C ZINC000091722415 180240372 /nfs/dbraw/zinc/24/03/72/180240372.db2.gz ZVPPVAMOIFYNMU-YUSALJHKSA-N 2 1 281.425 2.268 10 0 CEAEMP CCC[N@@H+](CC(=O)N1CCCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091852387 180273033 /nfs/dbraw/zinc/27/30/33/180273033.db2.gz GZHSKWMACSCCHW-FHERZECASA-N 2 1 295.471 2.369 10 0 CEAEMP C[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CCC([NH3+])CC1 ZINC000091847640 180271221 /nfs/dbraw/zinc/27/12/21/180271221.db2.gz DDYSSKQKELTBCB-YMAMQOFZSA-N 2 1 278.371 2.331 10 0 CEAEMP CC[N@@H+](CCC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091850637 180271720 /nfs/dbraw/zinc/27/17/20/180271720.db2.gz PNBHPTDCDFYZGR-UHFFFAOYSA-N 2 1 295.471 2.417 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)Cc2cc(C)nn2C)CC1 ZINC000091870199 180277459 /nfs/dbraw/zinc/27/74/59/180277459.db2.gz UTNBCBHNRSCSOW-UHFFFAOYSA-N 2 1 278.444 2.471 10 0 CEAEMP CC[C@@H]([NH3+])c1ccccc1OC[C@@H]1C[N@H+](CC)CCO1 ZINC000092050980 180312051 /nfs/dbraw/zinc/31/20/51/180312051.db2.gz VXPATPZEECWHQZ-DZGCQCFKSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@@H]([NH3+])c1ccccc1OC[C@@H]1C[N@@H+](CC)CCO1 ZINC000092050980 180312053 /nfs/dbraw/zinc/31/20/53/180312053.db2.gz VXPATPZEECWHQZ-DZGCQCFKSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[N@H+]1CCO[C@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092060237 180314852 /nfs/dbraw/zinc/31/48/52/180314852.db2.gz KBOSHVHRCOUQNO-HNNXBMFYSA-N 2 1 279.428 2.097 10 0 CEAEMP CC[C@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000092060617 180314970 /nfs/dbraw/zinc/31/49/70/180314970.db2.gz KLDMKASWMCFKLX-RDJZCZTQSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092060617 180314972 /nfs/dbraw/zinc/31/49/72/180314972.db2.gz KLDMKASWMCFKLX-RDJZCZTQSA-N 2 1 292.423 2.066 10 0 CEAEMP CC(C)[NH2+]Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003325 180304530 /nfs/dbraw/zinc/30/45/30/180304530.db2.gz VZAFYSVMCLNJLX-CVEARBPZSA-N 2 1 288.439 2.253 10 0 CEAEMP CCC[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000092004694 180305826 /nfs/dbraw/zinc/30/58/26/180305826.db2.gz ORKBPGDYOYATOQ-OLZOCXBDSA-N 2 1 294.468 2.316 10 0 CEAEMP C[C@H]1C[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C[C@H]1C ZINC000092088348 180321154 /nfs/dbraw/zinc/32/11/54/180321154.db2.gz VYXXIAPWQPJECQ-OKILXGFUSA-N 2 1 266.429 2.123 10 0 CEAEMP C[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092242494 180351811 /nfs/dbraw/zinc/35/18/11/180351811.db2.gz ZBEAQLGFGWVCJN-AWEZNQCLSA-N 2 1 262.422 2.387 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298012 180358660 /nfs/dbraw/zinc/35/86/60/180358660.db2.gz PCIWJSDOXUMQIJ-BFHYXJOUSA-N 2 1 260.381 2.222 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CC[N@H+]1C ZINC000107899640 186196166 /nfs/dbraw/zinc/19/61/66/186196166.db2.gz RLCDJJIBZCCTIX-CABCVRRESA-N 2 1 281.831 2.366 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CC[N@H+]1C ZINC000107899643 186196439 /nfs/dbraw/zinc/19/64/39/186196439.db2.gz RLCDJJIBZCCTIX-GJZGRUSLSA-N 2 1 281.831 2.366 10 0 CEAEMP Clc1ccc2c(NC[C@@H]3COCC[NH2+]3)cc[nH+]c2c1 ZINC000236051213 539803396 /nfs/dbraw/zinc/80/33/96/539803396.db2.gz UHWAJQKULJJXNA-LLVKDONJSA-N 2 1 277.755 2.289 10 0 CEAEMP CC[N@H+]1CC[C@@H](Cn2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629659 186307689 /nfs/dbraw/zinc/30/76/89/186307689.db2.gz SYDFNHBPXXBVCX-SNVBAGLBSA-N 2 1 292.358 2.108 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1Cn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629262 186307725 /nfs/dbraw/zinc/30/77/25/186307725.db2.gz GRVDDSBYJDBHAF-SNVBAGLBSA-N 2 1 292.358 2.251 10 0 CEAEMP CCCN(CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000110945677 186335589 /nfs/dbraw/zinc/33/55/89/186335589.db2.gz OGLRRFPEIQEULA-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705026 186314038 /nfs/dbraw/zinc/31/40/38/186314038.db2.gz SAJYCYXCMQBRRW-TZMCWYRMSA-N 2 1 265.401 2.084 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716912 186315599 /nfs/dbraw/zinc/31/55/99/186315599.db2.gz WWRUKEHXXASRDA-ILXRZTDVSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716615 186316014 /nfs/dbraw/zinc/31/60/14/186316014.db2.gz GIUHMODRFGMGJH-IRXDYDNUSA-N 2 1 287.451 2.288 10 0 CEAEMP Cc1cc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000110711668 186316283 /nfs/dbraw/zinc/31/62/83/186316283.db2.gz UNIOWTUPNOEMDN-OAHLLOKOSA-N 2 1 279.403 2.160 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])[C@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716413 186316774 /nfs/dbraw/zinc/31/67/74/186316774.db2.gz ITWLNTWQYGAOBM-HOCLYGCPSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000110757571 186320206 /nfs/dbraw/zinc/32/02/06/186320206.db2.gz XVJNWPAKUYRJKC-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@@H](CC[NH2+]C(C)(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755303 186320533 /nfs/dbraw/zinc/32/05/33/186320533.db2.gz LRWAVEBEYQBXCQ-ZDUSSCGKSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)C[NH2+]Cc1coc(CN2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000110751141 186321011 /nfs/dbraw/zinc/32/10/11/186321011.db2.gz CFSXHFKCUOJBME-AWEZNQCLSA-N 2 1 279.428 2.161 10 0 CEAEMP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757969 186322035 /nfs/dbraw/zinc/32/20/35/186322035.db2.gz VEYBTLFNJSWPOB-ZIAGYGMSSA-N 2 1 255.450 2.179 10 0 CEAEMP CCC[NH2+]C[C@@](C)(CC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747261 186322125 /nfs/dbraw/zinc/32/21/25/186322125.db2.gz XXDZXIZSKKTLJP-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CCOCC[N@@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000111123140 186354522 /nfs/dbraw/zinc/35/45/22/186354522.db2.gz MSQUNFZAGXAYFU-UHFFFAOYSA-N 2 1 286.460 2.140 10 0 CEAEMP CCc1ccc([C@@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143900 186358982 /nfs/dbraw/zinc/35/89/82/186358982.db2.gz QDFHJQFRUCUHAW-INIZCTEOSA-N 2 1 264.413 2.166 10 0 CEAEMP CCc1ccc([C@@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143900 186358983 /nfs/dbraw/zinc/35/89/83/186358983.db2.gz QDFHJQFRUCUHAW-INIZCTEOSA-N 2 1 264.413 2.166 10 0 CEAEMP C[N@H+](CC[NH2+]C1CCCCC1)CC1CCOCC1 ZINC000111176819 186364606 /nfs/dbraw/zinc/36/46/06/186364606.db2.gz CDYKHXXXRBYCJN-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[N@@H+](CC[NH2+]C1CCCCC1)CC1CCOCC1 ZINC000111176819 186364607 /nfs/dbraw/zinc/36/46/07/186364607.db2.gz CDYKHXXXRBYCJN-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[N@@H+](CCC[NH2+]C1CCCC1)C[C@@H]1CCCOC1 ZINC000111176473 186364715 /nfs/dbraw/zinc/36/47/15/186364715.db2.gz POOAYKFIFWHDEE-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)C[C@@H]2CCCOC2)CCOCC1 ZINC000111172019 186364868 /nfs/dbraw/zinc/36/48/68/186364868.db2.gz AOFOFVRYXVYBKU-INIZCTEOSA-N 2 1 298.471 2.141 10 0 CEAEMP C[N@H+](Cc1occc1C[NH2+]C1CC1)CC1CCOCC1 ZINC000111175599 186364944 /nfs/dbraw/zinc/36/49/44/186364944.db2.gz SFLNOUGENSSEFW-UHFFFAOYSA-N 2 1 278.396 2.390 10 0 CEAEMP C[N@H+](CC[NH2+]CCc1cccs1)CC1CCOCC1 ZINC000111176802 186365055 /nfs/dbraw/zinc/36/50/55/186365055.db2.gz VORPQQWITRUJFH-UHFFFAOYSA-N 2 1 282.453 2.239 10 0 CEAEMP C[N@@H+](CC[NH2+]CCc1cccs1)CC1CCOCC1 ZINC000111176802 186365057 /nfs/dbraw/zinc/36/50/57/186365057.db2.gz VORPQQWITRUJFH-UHFFFAOYSA-N 2 1 282.453 2.239 10 0 CEAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171742 186366020 /nfs/dbraw/zinc/36/60/20/186366020.db2.gz BNQBTMKJYYITSY-KKUMJFAQSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CC)C[C@@H]2CCCO2)CCCOC1 ZINC000111326596 186398185 /nfs/dbraw/zinc/39/81/85/186398185.db2.gz SXIPAXPURJCIPC-DLBZAZTESA-N 2 1 298.471 2.284 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CC)[C@@H](C)COC)CCCOC1 ZINC000111326373 186398390 /nfs/dbraw/zinc/39/83/90/186398390.db2.gz DUHIWNLJJYJAFX-JKSUJKDBSA-N 2 1 286.460 2.140 10 0 CEAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562381 351415399 /nfs/dbraw/zinc/41/53/99/351415399.db2.gz MOJMMNJIPIFHKS-GARJFASQSA-N 2 1 252.324 2.490 10 0 CEAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(c1cc[nH+]cc1Br)C2 ZINC000630540161 351777994 /nfs/dbraw/zinc/77/79/94/351777994.db2.gz UWTVAQPIVLCEQY-BETUJISGSA-N 2 1 296.212 2.280 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000092634180 539827423 /nfs/dbraw/zinc/82/74/23/539827423.db2.gz RYOPFKOBUZDLIO-OAHLLOKOSA-N 2 1 290.411 2.093 10 0 CEAEMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[C@H]1O ZINC000383175964 540167534 /nfs/dbraw/zinc/16/75/34/540167534.db2.gz FZEDIOHTJHSETA-KZNAEPCWSA-N 2 1 288.435 2.354 10 0 CEAEMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@H]1O ZINC000383175964 540167536 /nfs/dbraw/zinc/16/75/36/540167536.db2.gz FZEDIOHTJHSETA-KZNAEPCWSA-N 2 1 288.435 2.354 10 0 CEAEMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@H]1O ZINC000383175964 540167538 /nfs/dbraw/zinc/16/75/38/540167538.db2.gz FZEDIOHTJHSETA-KZNAEPCWSA-N 2 1 288.435 2.354 10 0 CEAEMP [NH3+]C[C@]12CCC[C@H]1CN(c1cc[nH+]cc1Cl)C2 ZINC000383518300 540182012 /nfs/dbraw/zinc/18/20/12/540182012.db2.gz HUNYVWDWQSTZNI-GWCFXTLKSA-N 2 1 251.761 2.300 10 0 CEAEMP c1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680145310 541371490 /nfs/dbraw/zinc/37/14/90/541371490.db2.gz NUFJRHYRQLGBAE-OKZBNKHCSA-N 2 1 296.418 2.410 10 0 CEAEMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843663 367585552 /nfs/dbraw/zinc/58/55/52/367585552.db2.gz RIOZBCJQKNCGAH-CABCVRRESA-N 2 1 262.397 2.209 10 0 CEAEMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000174732440 368061143 /nfs/dbraw/zinc/06/11/43/368061143.db2.gz SJHZBMAITTVDSP-ZIAGYGMSSA-N 2 1 285.391 2.126 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000181655715 368479924 /nfs/dbraw/zinc/47/99/24/368479924.db2.gz ZRAXFRVIMSXOKE-OWCLPIDISA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181655715 368479928 /nfs/dbraw/zinc/47/99/28/368479928.db2.gz ZRAXFRVIMSXOKE-OWCLPIDISA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181655715 368479930 /nfs/dbraw/zinc/47/99/30/368479930.db2.gz ZRAXFRVIMSXOKE-OWCLPIDISA-N 2 1 267.461 2.179 10 0 CEAEMP CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000220360745 370231936 /nfs/dbraw/zinc/23/19/36/370231936.db2.gz AGXLLQHNNQSFJH-ZWKOTPCHSA-N 2 1 287.451 2.192 10 0 CEAEMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239448 371381065 /nfs/dbraw/zinc/38/10/65/371381065.db2.gz HCXWHWKMMJJCEV-YLFCFFPRSA-N 2 1 279.472 2.371 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239448 371381070 /nfs/dbraw/zinc/38/10/70/371381070.db2.gz HCXWHWKMMJJCEV-YLFCFFPRSA-N 2 1 279.472 2.371 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]12 ZINC000261607311 371675136 /nfs/dbraw/zinc/67/51/36/371675136.db2.gz RRCBDNXCLZXDLL-GVDBMIGSSA-N 2 1 256.393 2.344 10 0 CEAEMP CCc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)[nH+]1 ZINC000261584729 371662007 /nfs/dbraw/zinc/66/20/07/371662007.db2.gz HYSOQWZVNLAYRJ-FUNVUKJBSA-N 2 1 260.385 2.067 10 0 CEAEMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cncc(F)c1 ZINC000361121367 371663263 /nfs/dbraw/zinc/66/32/63/371663263.db2.gz VMTXCASNDAHXTE-RISCZKNCSA-N 2 1 251.349 2.356 10 0 CEAEMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cncc(F)c1 ZINC000361121367 371663271 /nfs/dbraw/zinc/66/32/71/371663271.db2.gz VMTXCASNDAHXTE-RISCZKNCSA-N 2 1 251.349 2.356 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@H]12 ZINC000261789393 371732063 /nfs/dbraw/zinc/73/20/63/371732063.db2.gz QHXPBIVYRXKXIJ-HRCADAONSA-N 2 1 267.376 2.404 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822987 371743556 /nfs/dbraw/zinc/74/35/56/371743556.db2.gz ILSWYHPKGUPKSV-IMJJTQAJSA-N 2 1 276.449 2.414 10 0 CEAEMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000262043101 371808999 /nfs/dbraw/zinc/80/89/99/371808999.db2.gz YPTFEGFGEMUAQW-HRCADAONSA-N 2 1 288.439 2.095 10 0 CEAEMP CC(C)c1nc([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043254 371810907 /nfs/dbraw/zinc/81/09/07/371810907.db2.gz PJPVCZISTDEIMJ-XJKSGUPXSA-N 2 1 292.427 2.372 10 0 CEAEMP CC(C)c1nc([C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043254 371810917 /nfs/dbraw/zinc/81/09/17/371810917.db2.gz PJPVCZISTDEIMJ-XJKSGUPXSA-N 2 1 292.427 2.372 10 0 CEAEMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000262043104 371811516 /nfs/dbraw/zinc/81/15/16/371811516.db2.gz YPTFEGFGEMUAQW-XHSDSOJGSA-N 2 1 288.439 2.095 10 0 CEAEMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262083954 371821789 /nfs/dbraw/zinc/82/17/89/371821789.db2.gz FRWBSQMJWAAHFE-HRCADAONSA-N 2 1 274.408 2.351 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C[NH2+]CC(C)C ZINC000092675597 184620704 /nfs/dbraw/zinc/62/07/04/184620704.db2.gz XCOOTXKHEYWICG-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@@](C)(C[NH2+]C(C)(C)C)C[N@@H+](C)CC(C)(C)O ZINC000092983164 184640968 /nfs/dbraw/zinc/64/09/68/184640968.db2.gz CQNOYEJPLJWXBJ-HNNXBMFYSA-N 2 1 258.450 2.494 10 0 CEAEMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400707356 532985843 /nfs/dbraw/zinc/98/58/43/532985843.db2.gz LHYITHGBGGIEJL-RWMBFGLXSA-N 2 1 278.396 2.352 10 0 CEAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093784341 184720785 /nfs/dbraw/zinc/72/07/85/184720785.db2.gz WCPBONUYEQYDAE-UKRRQHHQSA-N 2 1 263.385 2.044 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094457578 184803337 /nfs/dbraw/zinc/80/33/37/184803337.db2.gz OWEUSCWBMSEZQR-IXDOHACOSA-N 2 1 291.414 2.384 10 0 CEAEMP CCCC[C@@](CC)(C[NH3+])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094458935 184804100 /nfs/dbraw/zinc/80/41/00/184804100.db2.gz OJHOBRUGCXKZBE-CABCVRRESA-N 2 1 253.434 2.064 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000094458828 184804331 /nfs/dbraw/zinc/80/43/31/184804331.db2.gz QCSKKDKYEJAHDR-WBVHZDCISA-N 2 1 273.424 2.083 10 0 CEAEMP CCC(C)(C)[NH2+]C[C@H](C)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094467447 184806125 /nfs/dbraw/zinc/80/61/25/184806125.db2.gz WTSFULTWGKUAEN-KKUMJFAQSA-N 2 1 267.461 2.322 10 0 CEAEMP C[N@@H+](CC1(O)CC[NH2+]CC1)C1CCC(C)(C)CC1 ZINC000094859773 184882750 /nfs/dbraw/zinc/88/27/50/184882750.db2.gz UCZPVTOOKCDXHM-UHFFFAOYSA-N 2 1 254.418 2.002 10 0 CEAEMP C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000093068598 135078784 /nfs/dbraw/zinc/07/87/84/135078784.db2.gz NSXMVKVPKOQDGX-GJZGRUSLSA-N 2 1 291.439 2.061 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381719050 395176468 /nfs/dbraw/zinc/17/64/68/395176468.db2.gz RHXFGIHSIBUOPW-CHWSQXEVSA-N 2 1 258.356 2.497 10 0 CEAEMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396563251 395216410 /nfs/dbraw/zinc/21/64/10/395216410.db2.gz IVQXBWZRNWTRJC-XUJVJEKNSA-N 2 1 250.361 2.487 10 0 CEAEMP Brc1c[nH+]ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000159924381 162318778 /nfs/dbraw/zinc/31/87/78/162318778.db2.gz GDRUUQQKKZKFIY-ZJUUUORDSA-N 2 1 282.185 2.175 10 0 CEAEMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000020247185 171100339 /nfs/dbraw/zinc/10/03/39/171100339.db2.gz ILULMJNNQCXWFW-CYBMUJFWSA-N 2 1 255.365 2.406 10 0 CEAEMP CC(C)[NH+]1CCC([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032592 174028906 /nfs/dbraw/zinc/02/89/06/174028906.db2.gz XYWZZJDDRPIHPA-UHFFFAOYSA-N 2 1 273.424 2.500 10 0 CEAEMP CC(C)[NH+]1CCC([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032592 174028907 /nfs/dbraw/zinc/02/89/07/174028907.db2.gz XYWZZJDDRPIHPA-UHFFFAOYSA-N 2 1 273.424 2.500 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096061 174110150 /nfs/dbraw/zinc/11/01/50/174110150.db2.gz FNDXPXKJFUFAFQ-ILXRZTDVSA-N 2 1 254.418 2.266 10 0 CEAEMP Cc1cc(C)c(C[NH3+])c(OCC[C@H]2CCC[N@@H+]2C)n1 ZINC000040509814 174303891 /nfs/dbraw/zinc/30/38/91/174303891.db2.gz DPIVPUTXYAVXMA-CYBMUJFWSA-N 2 1 263.385 2.020 10 0 CEAEMP CCC[N@H+](CC(=O)NC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748465 174393355 /nfs/dbraw/zinc/39/33/55/174393355.db2.gz HOUGIOUFPLDENJ-XYPWUTKMSA-N 2 1 293.455 2.040 10 0 CEAEMP CCC[N@@H+](CC(=O)NC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748465 174393356 /nfs/dbraw/zinc/39/33/56/174393356.db2.gz HOUGIOUFPLDENJ-XYPWUTKMSA-N 2 1 293.455 2.040 10 0 CEAEMP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000043810849 175110507 /nfs/dbraw/zinc/11/05/07/175110507.db2.gz HHPJOUHMRSURNW-HNNXBMFYSA-N 2 1 287.407 2.331 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900045 175122077 /nfs/dbraw/zinc/12/20/77/175122077.db2.gz QJIISSCGMZMPJZ-XUWVNRHRSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900045 175122078 /nfs/dbraw/zinc/12/20/78/175122078.db2.gz QJIISSCGMZMPJZ-XUWVNRHRSA-N 2 1 266.429 2.266 10 0 CEAEMP CC(C)C[NH+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045273863 175344447 /nfs/dbraw/zinc/34/44/47/175344447.db2.gz BKALRXSELLPVFK-MRXNPFEDSA-N 2 1 285.476 2.233 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277432 175347502 /nfs/dbraw/zinc/34/75/02/175347502.db2.gz OPMICMRMIHBOII-NVXWUHKLSA-N 2 1 295.471 2.273 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277432 175347503 /nfs/dbraw/zinc/34/75/03/175347503.db2.gz OPMICMRMIHBOII-NVXWUHKLSA-N 2 1 295.471 2.273 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281683 175353022 /nfs/dbraw/zinc/35/30/22/175353022.db2.gz LLQXGIGEYKZPOP-MRXNPFEDSA-N 2 1 283.460 2.131 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000045281683 175353023 /nfs/dbraw/zinc/35/30/23/175353023.db2.gz LLQXGIGEYKZPOP-MRXNPFEDSA-N 2 1 283.460 2.131 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)CC ZINC000045381254 175370285 /nfs/dbraw/zinc/37/02/85/175370285.db2.gz FKIIPIQWXGTDSW-JSGCOSHPSA-N 2 1 258.406 2.168 10 0 CEAEMP CCC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385988 175372467 /nfs/dbraw/zinc/37/24/67/175372467.db2.gz CDTOCMNXAGGEAU-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385988 175372469 /nfs/dbraw/zinc/37/24/69/175372469.db2.gz CDTOCMNXAGGEAU-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[C@@H](CC[NH3+])[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC000070988413 176018443 /nfs/dbraw/zinc/01/84/43/176018443.db2.gz HXOPOMRYCVBNAN-RDJZCZTQSA-N 2 1 275.440 2.493 10 0 CEAEMP CCc1ccc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071148926 176044393 /nfs/dbraw/zinc/04/43/93/176044393.db2.gz QHEAELSEUCQKEN-OAHLLOKOSA-N 2 1 275.440 2.147 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000071162184 176046635 /nfs/dbraw/zinc/04/66/35/176046635.db2.gz DHQFBXYTKKXONO-ZACQAIPSSA-N 2 1 279.472 2.454 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1c(C[NH3+])cnc2ccccc21 ZINC000071187564 176061012 /nfs/dbraw/zinc/06/10/12/176061012.db2.gz HQIRLIAFEOCGSW-ZDUSSCGKSA-N 3 1 284.407 2.081 10 0 CEAEMP C[NH2+]Cc1c(Cl)cccc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071190004 176065723 /nfs/dbraw/zinc/06/57/23/176065723.db2.gz ZHNBSDQNDRWCFP-LBPRGKRZSA-N 2 1 281.831 2.447 10 0 CEAEMP CC[C@](C)(C[NH2+]C(C)C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191483 176070110 /nfs/dbraw/zinc/07/01/10/176070110.db2.gz IALNHECVYJLSRI-HZPDHXFCSA-N 2 1 269.477 2.284 10 0 CEAEMP CC[NH2+][C@H]1CCCN(CCCC[N@@H+](C)C(C)C)C1 ZINC000071200752 176077621 /nfs/dbraw/zinc/07/76/21/176077621.db2.gz WZGPIMSTIURANC-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])[C@@H]1CCSC1 ZINC000071267654 176101345 /nfs/dbraw/zinc/10/13/45/176101345.db2.gz BPOZIFBMLKINAA-LLVKDONJSA-N 2 1 267.373 2.047 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071290060 176110787 /nfs/dbraw/zinc/11/07/87/176110787.db2.gz IHXUWZLIHZAWBM-HNNXBMFYSA-N 3 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071290060 176110789 /nfs/dbraw/zinc/11/07/89/176110789.db2.gz IHXUWZLIHZAWBM-HNNXBMFYSA-N 3 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071290060 176110790 /nfs/dbraw/zinc/11/07/90/176110790.db2.gz IHXUWZLIHZAWBM-HNNXBMFYSA-N 3 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071290060 176110791 /nfs/dbraw/zinc/11/07/91/176110791.db2.gz IHXUWZLIHZAWBM-HNNXBMFYSA-N 2 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071290060 176110792 /nfs/dbraw/zinc/11/07/92/176110792.db2.gz IHXUWZLIHZAWBM-HNNXBMFYSA-N 2 1 255.450 2.040 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccc1C ZINC000071345268 176131617 /nfs/dbraw/zinc/13/16/17/176131617.db2.gz HKECEYCBLWIEBM-GOOCMWNKSA-N 2 1 259.397 2.495 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccc1C ZINC000071345268 176131618 /nfs/dbraw/zinc/13/16/18/176131618.db2.gz HKECEYCBLWIEBM-GOOCMWNKSA-N 2 1 259.397 2.495 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1cc[nH+]c1C ZINC000071346524 176131848 /nfs/dbraw/zinc/13/18/48/176131848.db2.gz CEZQDYNXXHJGTI-HUUCEWRRSA-N 2 1 278.444 2.290 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CCn2cc[nH+]c2C)[C@H](C2CC2)C[NH2+]1 ZINC000071355313 176136552 /nfs/dbraw/zinc/13/65/52/176136552.db2.gz ZWHBQPWNOAUGRB-JQFCIGGWSA-N 2 1 290.455 2.290 10 0 CEAEMP CCc1cc(N(C)CC[C@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000133623754 419432671 /nfs/dbraw/zinc/43/26/71/419432671.db2.gz DGRDUKMVZTZGGI-ZDUSSCGKSA-N 2 1 250.390 2.157 10 0 CEAEMP CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862880 276068923 /nfs/dbraw/zinc/06/89/23/276068923.db2.gz YUQDCRSMFWBYQA-QGZVFWFLSA-N 2 1 276.424 2.384 10 0 CEAEMP CC[NH2+][C@H](CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091395 276271098 /nfs/dbraw/zinc/27/10/98/276271098.db2.gz BEJKLPBYVVOBGV-DLBZAZTESA-N 2 1 276.424 2.259 10 0 CEAEMP CCC[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000134961066 280033840 /nfs/dbraw/zinc/03/38/40/280033840.db2.gz LESZEEYYOSRWGN-INIZCTEOSA-N 2 1 297.487 2.488 10 0 CEAEMP COc1cccc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000133526275 295314675 /nfs/dbraw/zinc/31/46/75/295314675.db2.gz KIJGKXHYORIQLE-DOTOQJQBSA-N 2 1 291.439 2.030 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CCN(C[C@@H]2CCCC[N@H+]2C)C1 ZINC000053033683 519745957 /nfs/dbraw/zinc/74/59/57/519745957.db2.gz UVYFTBCTXJFQPQ-CVEARBPZSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@@H](C)COC)c(C)o1 ZINC000052572445 519987312 /nfs/dbraw/zinc/98/73/12/519987312.db2.gz UYWSSUCZBYEBMS-ZDUSSCGKSA-N 2 1 298.427 2.181 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@H+]1CCCSCC1 ZINC000052371028 520009631 /nfs/dbraw/zinc/00/96/31/520009631.db2.gz ITBDPZYQZBLSLB-UHFFFAOYSA-N 2 1 254.399 2.328 10 0 CEAEMP CC[N@@H+](Cc1ccccc1C[NH2+]C)[C@H](C)COC ZINC000052505076 521379627 /nfs/dbraw/zinc/37/96/27/521379627.db2.gz QGJYIKLTNLBKDP-CYBMUJFWSA-N 2 1 250.386 2.263 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1CCCC[NH2+]C(C)(C)C ZINC000061654688 521838937 /nfs/dbraw/zinc/83/89/37/521838937.db2.gz VLMZGAGOJDQUKK-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH2+]C[C@@H](OCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000052673727 522035693 /nfs/dbraw/zinc/03/56/93/522035693.db2.gz QZDZXFNMBNIVLH-HZPDHXFCSA-N 2 1 262.397 2.448 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482372 522059189 /nfs/dbraw/zinc/05/91/89/522059189.db2.gz BGUQYOPTEXMASA-FZKCQIBNSA-N 2 1 266.429 2.266 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000052453722 522160427 /nfs/dbraw/zinc/16/04/27/522160427.db2.gz WILHUPBKHCIUNB-LLVKDONJSA-N 2 1 254.399 2.245 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480094 519721341 /nfs/dbraw/zinc/72/13/41/519721341.db2.gz CAEMJIQVIWFJHZ-HNNXBMFYSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478887 519723936 /nfs/dbraw/zinc/72/39/36/519723936.db2.gz XKBQPXJAYNDKAS-JKSUJKDBSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673643 519724091 /nfs/dbraw/zinc/72/40/91/519724091.db2.gz GMKDMHJULCUCKY-JYJNAYRXSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647857 519740077 /nfs/dbraw/zinc/74/00/77/519740077.db2.gz TXRZKQPRQQIICA-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647857 519740079 /nfs/dbraw/zinc/74/00/79/519740079.db2.gz TXRZKQPRQQIICA-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)[C@@H]2CCSC2)O1 ZINC000052453610 519746370 /nfs/dbraw/zinc/74/63/70/519746370.db2.gz RHEVCHAKYNLSPB-RBSFLKMASA-N 2 1 286.485 2.217 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCO1 ZINC000054603172 519908547 /nfs/dbraw/zinc/90/85/47/519908547.db2.gz JIYYRWGAQVAXBI-DKUMPPAJSA-N 2 1 252.402 2.160 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccnc1 ZINC000054628353 519910912 /nfs/dbraw/zinc/91/09/12/519910912.db2.gz ULNYYGNVIXGAAF-MQVJKMGUSA-N 2 1 259.397 2.229 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503364 519920201 /nfs/dbraw/zinc/92/02/01/519920201.db2.gz GSCRADBHXAUUII-HNNXBMFYSA-N 2 1 257.466 2.284 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CCOC)[C@H](C)COC ZINC000052572317 519960509 /nfs/dbraw/zinc/96/05/09/519960509.db2.gz UZMRZJLWYKLLJJ-CQSZACIVSA-N 2 1 298.427 2.263 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2OC)O1 ZINC000052542307 519977321 /nfs/dbraw/zinc/97/73/21/519977321.db2.gz JLTCPMZODCJXHM-CVEARBPZSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCCOC)CCOC)c(C)o1 ZINC000052543316 519988749 /nfs/dbraw/zinc/98/87/49/519988749.db2.gz YKYVUXROUKPLGV-UHFFFAOYSA-N 2 1 298.427 2.182 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000052481770 520004314 /nfs/dbraw/zinc/00/43/14/520004314.db2.gz JYWRRLVLLWWDHW-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000053874150 520020786 /nfs/dbraw/zinc/02/07/86/520020786.db2.gz ATEVCEWFBCCJJF-QLFBSQMISA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+]Cc1sc(N(C)[C@H]2CCC[N@@H+](C)C2)nc1CC ZINC000054998302 520033433 /nfs/dbraw/zinc/03/34/33/520033433.db2.gz WBXPTFYPZFDTTA-LBPRGKRZSA-N 2 1 296.484 2.345 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653661 520214599 /nfs/dbraw/zinc/21/45/99/520214599.db2.gz IACGPFGETOZFRR-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653661 520214605 /nfs/dbraw/zinc/21/46/05/520214605.db2.gz IACGPFGETOZFRR-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](Cc1cccs1)C(C)C ZINC000062739734 520309426 /nfs/dbraw/zinc/30/94/26/520309426.db2.gz AEFYOCPGKRWJJF-LBPRGKRZSA-N 2 1 256.415 2.322 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH2+]CC)CC1 ZINC000061296622 520397760 /nfs/dbraw/zinc/39/77/60/520397760.db2.gz BYPFZPXCNUQYEB-UHFFFAOYSA-N 2 1 297.487 2.345 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052372314 520528364 /nfs/dbraw/zinc/52/83/64/520528364.db2.gz VESKINPBPNDMLD-AWEZNQCLSA-N 2 1 266.385 2.308 10 0 CEAEMP CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069237276 520968452 /nfs/dbraw/zinc/96/84/52/520968452.db2.gz JHMGIJFVGAGHJG-GFCCVEGCSA-N 2 1 275.396 2.204 10 0 CEAEMP CC[N@@H+](CCCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049313062 521036945 /nfs/dbraw/zinc/03/69/45/521036945.db2.gz CBDWWVIZCGXUCW-UHFFFAOYSA-N 2 1 268.323 2.029 10 0 CEAEMP CCC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000062940407 521212992 /nfs/dbraw/zinc/21/29/92/521212992.db2.gz RURGGXGUQWTQEM-YLFCFFPRSA-N 2 1 279.472 2.453 10 0 CEAEMP CC[N@H+](Cc1ccc(C[NH2+]C)cc1)C[C@@H]1CCCO1 ZINC000052511008 521306171 /nfs/dbraw/zinc/30/61/71/521306171.db2.gz XEMOFJBZIFFDRM-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[N@H+](Cc1ccccc1C[NH2+]C)C[C@@H]1CCCO1 ZINC000052511102 521380778 /nfs/dbraw/zinc/38/07/78/521380778.db2.gz CSXMYOZDZKVKID-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CCCc1nc(N2CC[NH+](C3CC3)CC2)sc1C[NH2+]C ZINC000055002263 521532805 /nfs/dbraw/zinc/53/28/05/521532805.db2.gz XZUCGQPAMUGWNV-UHFFFAOYSA-N 2 1 294.468 2.099 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000061644711 521841316 /nfs/dbraw/zinc/84/13/16/521841316.db2.gz ZTATYVNBMAKGMM-GJZGRUSLSA-N 2 1 274.412 2.080 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000061644711 521841324 /nfs/dbraw/zinc/84/13/24/521841324.db2.gz ZTATYVNBMAKGMM-GJZGRUSLSA-N 2 1 274.412 2.080 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000061654546 521871085 /nfs/dbraw/zinc/87/10/85/521871085.db2.gz NJCALVLOYQTVCK-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH+](C)C[C@H]1CCCN1Cc1ccccc1C[NH2+]C1CC1 ZINC000061654546 521871094 /nfs/dbraw/zinc/87/10/94/521871094.db2.gz NJCALVLOYQTVCK-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccncc1 ZINC000054602165 521952852 /nfs/dbraw/zinc/95/28/52/521952852.db2.gz SONFOGZQPDOQSV-MQVJKMGUSA-N 2 1 259.397 2.229 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(O)cc1 ZINC000054628691 521955718 /nfs/dbraw/zinc/95/57/18/521955718.db2.gz VGKMVDDYGHKAMF-GOOCMWNKSA-N 2 1 260.381 2.150 10 0 CEAEMP C[NH2+]C[C@@](C)(C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763411 522064143 /nfs/dbraw/zinc/06/41/43/522064143.db2.gz RSGUUWNNKVQXPX-MSOLQXFVSA-N 2 1 290.451 2.401 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183561 522093289 /nfs/dbraw/zinc/09/32/89/522093289.db2.gz LXMOCCPMNQMHLU-OAHLLOKOSA-N 2 1 298.471 2.282 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000052507705 522134211 /nfs/dbraw/zinc/13/42/11/522134211.db2.gz ACHZZLWDUUQVSL-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543842 522134354 /nfs/dbraw/zinc/13/43/54/522134354.db2.gz TVKAEKURORICEU-LSDHHAIUSA-N 2 1 260.381 2.269 10 0 CEAEMP C[NH2+]Cc1sc(N2CC[NH+](C3CC3)CC2)nc1C1CC1 ZINC000069181764 522166357 /nfs/dbraw/zinc/16/63/57/522166357.db2.gz WCVSYYPZYLJKSG-UHFFFAOYSA-N 2 1 292.452 2.024 10 0 CEAEMP CC[C@H]1CCC[N@@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052479780 523087977 /nfs/dbraw/zinc/08/79/77/523087977.db2.gz QVKSVVHLQSMFMG-AWEZNQCLSA-N 2 1 293.459 2.288 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@H](C)CCC[NH2+]CC(C)C ZINC000052543286 523257699 /nfs/dbraw/zinc/25/76/99/523257699.db2.gz FFUMBNUGCJWDKQ-MRXNPFEDSA-N 2 1 288.476 2.386 10 0 CEAEMP CC[C@@H]1CN(c2nc(C3CC3)c(C[NH2+]C)s2)CC[N@H+]1C ZINC000069182959 523473300 /nfs/dbraw/zinc/47/33/00/523473300.db2.gz VSKWKKOIFOYQTD-GFCCVEGCSA-N 2 1 294.468 2.270 10 0 CEAEMP C[N@@H+](Cc1occc1C[NH2+]C1CC1)C1CCOCC1 ZINC000052481151 523616334 /nfs/dbraw/zinc/61/63/34/523616334.db2.gz DPBZGVIJZQZXJB-UHFFFAOYSA-N 2 1 264.369 2.142 10 0 CEAEMP COCC[N@@H+](C[C@H](C)C[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545309 523733234 /nfs/dbraw/zinc/73/32/34/523733234.db2.gz MPBJGBGGWSNTHN-KGLIPLIRSA-N 2 1 256.434 2.367 10 0 CEAEMP C[N@H+]1CCCN(Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052424207 523807992 /nfs/dbraw/zinc/80/79/92/523807992.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 2 1 273.380 2.029 10 0 CEAEMP CC[C@H](C)C[N@H+]1CCCN([C@@H](CC)CC[NH3+])CC1 ZINC000050424216 523881665 /nfs/dbraw/zinc/88/16/65/523881665.db2.gz CHZVYGKOEVRFKO-GJZGRUSLSA-N 2 1 255.450 2.168 10 0 CEAEMP CN1CC[NH+](Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052379507 523911728 /nfs/dbraw/zinc/91/17/28/523911728.db2.gz XBDRMFXLMWTIMZ-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP COc1ccc(C[N@@H+](C)Cc2cccnc2C[NH3+])cc1 ZINC000061656675 524006144 /nfs/dbraw/zinc/00/61/44/524006144.db2.gz VUEQSZORXOVDDW-UHFFFAOYSA-N 2 1 271.364 2.181 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052378862 524111786 /nfs/dbraw/zinc/11/17/86/524111786.db2.gz ANWFPBVTIWYHBM-CYBMUJFWSA-N 2 1 279.432 2.041 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)[C@@H]1C ZINC000052373370 524230841 /nfs/dbraw/zinc/23/08/41/524230841.db2.gz BPRCDKRINVEVBH-ZIAGYGMSSA-N 2 1 293.459 2.287 10 0 CEAEMP Cc1cccc(N2CC[NH+](Cc3occc3C[NH3+])CC2)c1 ZINC000052418937 524558285 /nfs/dbraw/zinc/55/82/85/524558285.db2.gz MPTSVZCIJSOFQY-UHFFFAOYSA-N 2 1 285.391 2.369 10 0 CEAEMP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[NH+]1CCCCCCC1 ZINC000068617426 524630400 /nfs/dbraw/zinc/63/04/00/524630400.db2.gz JFONVAIXRIMPIC-CZUORRHYSA-N 2 1 281.444 2.027 10 0 CEAEMP Cc1oc(C[N@@H+](C)C[C@H]2CCCCO2)cc1C[NH3+] ZINC000052507346 526770121 /nfs/dbraw/zinc/77/01/21/526770121.db2.gz DUXCKRRLNIZTKF-CYBMUJFWSA-N 2 1 252.358 2.048 10 0 CEAEMP NC(=[NH2+])c1ncccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000061658389 526825014 /nfs/dbraw/zinc/82/50/14/526825014.db2.gz NKXYQJMINMZZHQ-CQSZACIVSA-N 2 1 280.375 2.355 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052182760 527163699 /nfs/dbraw/zinc/16/36/99/527163699.db2.gz QKDLQEBTOQMOLH-OAHLLOKOSA-N 2 1 266.429 2.397 10 0 CEAEMP Cc1[nH+]cn(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593723 527462645 /nfs/dbraw/zinc/46/26/45/527462645.db2.gz YXZWUPSHNJGJOU-KGLIPLIRSA-N 2 1 265.401 2.436 10 0 CEAEMP FC(F)(F)COCCC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049564876 527669754 /nfs/dbraw/zinc/66/97/54/527669754.db2.gz KNEOVGOKDHNALW-RYUDHWBXSA-N 2 1 280.334 2.172 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@@H]12 ZINC000261582287 628941555 /nfs/dbraw/zinc/94/15/55/628941555.db2.gz RDELJZMNDFDFHX-GAJTVXKRSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]12 ZINC000261582287 628941557 /nfs/dbraw/zinc/94/15/57/628941557.db2.gz RDELJZMNDFDFHX-GAJTVXKRSA-N 2 1 252.308 2.134 10 0 CEAEMP C[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412804 539030968 /nfs/dbraw/zinc/03/09/68/539030968.db2.gz HBLSKSBLZIPFTE-WOFIAXNJSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394412804 539030969 /nfs/dbraw/zinc/03/09/69/539030969.db2.gz HBLSKSBLZIPFTE-WOFIAXNJSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394412804 539030970 /nfs/dbraw/zinc/03/09/70/539030970.db2.gz HBLSKSBLZIPFTE-WOFIAXNJSA-N 2 1 266.429 2.095 10 0 CEAEMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)[C@@H]1C ZINC000725264163 539212532 /nfs/dbraw/zinc/21/25/32/539212532.db2.gz DVYKWJNVEOSJPA-YIYPIFLZSA-N 2 1 252.402 2.003 10 0 CEAEMP CC(C)(C)OC(=O)c1cccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])c1 ZINC000725270906 539215184 /nfs/dbraw/zinc/21/51/84/539215184.db2.gz UYFYCCKTDJMKPO-UONOGXRCSA-N 2 1 276.380 2.046 10 0 CEAEMP C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])C[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307637303 344723853 /nfs/dbraw/zinc/72/38/53/344723853.db2.gz WRLXYLZYLLOXFD-ATLSCFEFSA-N 2 1 287.451 2.461 10 0 CEAEMP CCC[C@H]1C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000085469566 179074884 /nfs/dbraw/zinc/07/48/84/179074884.db2.gz PCTTUXRLJPLZNQ-AWEZNQCLSA-N 2 1 264.417 2.044 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572823 179098578 /nfs/dbraw/zinc/09/85/78/179098578.db2.gz YYDFDCNBNCQDBU-CYBMUJFWSA-N 2 1 290.455 2.311 10 0 CEAEMP C[N@H+]1CC[C@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085607095 179101586 /nfs/dbraw/zinc/10/15/86/179101586.db2.gz ICLLHNOCNDJQIJ-ZDUSSCGKSA-N 2 1 274.412 2.063 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623238 179105071 /nfs/dbraw/zinc/10/50/71/179105071.db2.gz CWACPWVOOMSQJW-KBPBESRZSA-N 2 1 252.402 2.162 10 0 CEAEMP Cc1nccn1CC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623229 179106063 /nfs/dbraw/zinc/10/60/63/179106063.db2.gz XCFDSGGPGNPPOM-AWEZNQCLSA-N 2 1 276.428 2.188 10 0 CEAEMP CC[NH2+][C@@H](C)[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000111716620 136563790 /nfs/dbraw/zinc/56/37/90/136563790.db2.gz XEZGSTYMVICGIL-GXTWGEPZSA-N 2 1 262.401 2.308 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000086145820 179238593 /nfs/dbraw/zinc/23/85/93/179238593.db2.gz WYSKYIXBHULPOW-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP C[C@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173832 179244295 /nfs/dbraw/zinc/24/42/95/179244295.db2.gz NAUXHTDBOATSHJ-QGTPRVQTSA-N 2 1 285.435 2.258 10 0 CEAEMP C[C@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086172098 179244405 /nfs/dbraw/zinc/24/44/05/179244405.db2.gz XLAQOGSEGPKNAC-UAGQMJEPSA-N 2 1 273.424 2.116 10 0 CEAEMP C[C@H]1C[N@@H+](CCCC[NH+](C)C)[C@H](c2ccccc2)CN1 ZINC000086174282 179245371 /nfs/dbraw/zinc/24/53/71/179245371.db2.gz UYIQENLLVUPAOZ-RDJZCZTQSA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@H]1CN(CCCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086174282 179245373 /nfs/dbraw/zinc/24/53/73/179245373.db2.gz UYIQENLLVUPAOZ-RDJZCZTQSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086174169 179245942 /nfs/dbraw/zinc/24/59/42/179245942.db2.gz UURGXJOOHOPTBW-ZACQAIPSSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259256 179258089 /nfs/dbraw/zinc/25/80/89/179258089.db2.gz LHOSADJYZMMTKL-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259604 179258275 /nfs/dbraw/zinc/25/82/75/179258275.db2.gz AFYUEYGOKHSYPI-IMJJTQAJSA-N 2 1 279.472 2.322 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259225 179258601 /nfs/dbraw/zinc/25/86/01/179258601.db2.gz OLRRCYQUADKSIX-OIISXLGYSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086260755 179260431 /nfs/dbraw/zinc/26/04/31/179260431.db2.gz KJYSALDPMHIMRG-ZACQAIPSSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)CCC[NH2+]1 ZINC000086269445 179262260 /nfs/dbraw/zinc/26/22/60/179262260.db2.gz AIIJNTHNQMZTCZ-OAHLLOKOSA-N 2 1 262.397 2.312 10 0 CEAEMP CC[C@H]1C[N@H+](CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285652 179263445 /nfs/dbraw/zinc/26/34/45/179263445.db2.gz QIMAVIDUIRDBOD-HNNXBMFYSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@H]1C[N@@H+](CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285652 179263446 /nfs/dbraw/zinc/26/34/46/179263446.db2.gz QIMAVIDUIRDBOD-HNNXBMFYSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086288678 179264194 /nfs/dbraw/zinc/26/41/94/179264194.db2.gz QHUMDRGROZEDIB-CABCVRRESA-N 2 1 267.461 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086289424 179264916 /nfs/dbraw/zinc/26/49/16/179264916.db2.gz UDQVSOHCKHEPTN-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258991 179256611 /nfs/dbraw/zinc/25/66/11/179256611.db2.gz KIDSLTRTDYUILB-MSOLQXFVSA-N 2 1 293.499 2.427 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293883 179267321 /nfs/dbraw/zinc/26/73/21/179267321.db2.gz ZWKHCECWTPEUHX-WMZOPIPTSA-N 2 1 286.419 2.454 10 0 CEAEMP Cc1cccnc1C[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086297394 179267883 /nfs/dbraw/zinc/26/78/83/179267883.db2.gz XFQDRPGIVIQOHR-INIZCTEOSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1cccnc1C[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086297394 179267884 /nfs/dbraw/zinc/26/78/84/179267884.db2.gz XFQDRPGIVIQOHR-INIZCTEOSA-N 2 1 259.397 2.354 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317354 179269953 /nfs/dbraw/zinc/26/99/53/179269953.db2.gz VSZPLXYSJSYTRQ-BBRMVZONSA-N 2 1 255.365 2.447 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317354 179269954 /nfs/dbraw/zinc/26/99/54/179269954.db2.gz VSZPLXYSJSYTRQ-BBRMVZONSA-N 2 1 255.365 2.447 10 0 CEAEMP C[C@H](CNC1=[NH+]C[C@@H](C)CS1)[NH+]1CCCCC1 ZINC000086633173 179314822 /nfs/dbraw/zinc/31/48/22/179314822.db2.gz MQTVXRKQYOXNHN-VXGBXAGGSA-N 2 1 255.431 2.189 10 0 CEAEMP COc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086817082 179344868 /nfs/dbraw/zinc/34/48/68/179344868.db2.gz CLCVWFKZMRKVGG-OAHLLOKOSA-N 2 1 262.397 2.312 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C)CC1 ZINC000086847367 179356659 /nfs/dbraw/zinc/35/66/59/179356659.db2.gz WFMHOUJJZMEHII-LSDHHAIUSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(CC(C)C)C2CC2)CC1 ZINC000086848076 179356772 /nfs/dbraw/zinc/35/67/72/179356772.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](CC(C)C)C2CC2)CC1 ZINC000086848076 179356775 /nfs/dbraw/zinc/35/67/75/179356775.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](CC(C)C)C2CC2)CC1 ZINC000086848076 179356777 /nfs/dbraw/zinc/35/67/77/179356777.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+](CC(C)C)C2CC2)CC1 ZINC000086848076 179356778 /nfs/dbraw/zinc/35/67/78/179356778.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](CC(C)C)C2CC2)CC1 ZINC000086848076 179356780 /nfs/dbraw/zinc/35/67/80/179356780.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP C[N@H+]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086833509 179349832 /nfs/dbraw/zinc/34/98/32/179349832.db2.gz JHLUUDIQEWEIIA-HNNXBMFYSA-N 2 1 259.397 2.081 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000086840389 179351282 /nfs/dbraw/zinc/35/12/82/179351282.db2.gz HZDXCMZGWILONL-OAHLLOKOSA-N 2 1 295.471 2.097 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840335 179351344 /nfs/dbraw/zinc/35/13/44/179351344.db2.gz AHVJIPSJLXYKBQ-OAHLLOKOSA-N 2 1 279.472 2.466 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840335 179351346 /nfs/dbraw/zinc/35/13/46/179351346.db2.gz AHVJIPSJLXYKBQ-OAHLLOKOSA-N 2 1 279.472 2.466 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840335 179351347 /nfs/dbraw/zinc/35/13/47/179351347.db2.gz AHVJIPSJLXYKBQ-OAHLLOKOSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840928 179352782 /nfs/dbraw/zinc/35/27/82/179352782.db2.gz NUDNULNALDYOEY-MRXNPFEDSA-N 2 1 261.413 2.478 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842893 179352792 /nfs/dbraw/zinc/35/27/92/179352792.db2.gz TXARZUFEXHGWKK-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@@H+]1CCC[C@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842893 179352794 /nfs/dbraw/zinc/35/27/94/179352794.db2.gz TXARZUFEXHGWKK-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842893 179352796 /nfs/dbraw/zinc/35/27/96/179352796.db2.gz TXARZUFEXHGWKK-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2c[nH]nc2C)CC1 ZINC000086841968 179353212 /nfs/dbraw/zinc/35/32/12/179353212.db2.gz RGTYJTMMBSNQFB-CQSZACIVSA-N 2 1 250.390 2.072 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2c[nH]nc2C)CC1 ZINC000086841968 179353214 /nfs/dbraw/zinc/35/32/14/179353214.db2.gz RGTYJTMMBSNQFB-CQSZACIVSA-N 2 1 250.390 2.072 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCc3sccc3C2)CC1 ZINC000086846313 179354934 /nfs/dbraw/zinc/35/49/34/179354934.db2.gz IJOZLKAYOUDTHD-INIZCTEOSA-N 2 1 293.480 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCCC(=O)OCC)CC1 ZINC000086845745 179355445 /nfs/dbraw/zinc/35/54/45/179355445.db2.gz PJHKRZOVWRMSON-AWEZNQCLSA-N 2 1 270.417 2.184 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cscn2)CC1 ZINC000086845131 179355477 /nfs/dbraw/zinc/35/54/77/179355477.db2.gz NVRRTJDBBBVHTF-GFCCVEGCSA-N 2 1 253.415 2.150 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000086844733 179355596 /nfs/dbraw/zinc/35/55/96/179355596.db2.gz QLCTXYZLYIQQMW-HOTGVXAUSA-N 2 1 262.397 2.184 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000086844733 179355598 /nfs/dbraw/zinc/35/55/98/179355598.db2.gz QLCTXYZLYIQQMW-HOTGVXAUSA-N 2 1 262.397 2.184 10 0 CEAEMP CCC[N@H+]1CCC[C@@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086852815 179359080 /nfs/dbraw/zinc/35/90/80/179359080.db2.gz CEEBRIVTPNUDCJ-GJZGRUSLSA-N 2 1 254.418 2.146 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000086890949 179365986 /nfs/dbraw/zinc/36/59/86/179365986.db2.gz WLESKRAOAQFERQ-QLFBSQMISA-N 2 1 254.418 2.395 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000086891418 179366019 /nfs/dbraw/zinc/36/60/19/179366019.db2.gz PPJKADDOCRUZCF-BZUAXINKSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994895 179375848 /nfs/dbraw/zinc/37/58/48/179375848.db2.gz LMZNHDJRNZBURM-FZMZJTMJSA-N 2 1 252.333 2.176 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994895 179375850 /nfs/dbraw/zinc/37/58/50/179375850.db2.gz LMZNHDJRNZBURM-FZMZJTMJSA-N 2 1 252.333 2.176 10 0 CEAEMP CC1CCC(O)(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000087045873 179388358 /nfs/dbraw/zinc/38/83/58/179388358.db2.gz KISXMMLNJZMIHR-SLTAFYQDSA-N 2 1 254.418 2.002 10 0 CEAEMP CC[C@@H](C)SC[C@@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000087135881 179397030 /nfs/dbraw/zinc/39/70/30/179397030.db2.gz SNGNJQYZMHSWKZ-ZYHUDNBSSA-N 2 1 253.415 2.326 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000090567254 180006655 /nfs/dbraw/zinc/00/66/55/180006655.db2.gz URDUYAOJVGLPIZ-YPMHNXCESA-N 2 1 294.361 2.275 10 0 CEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875336 180050630 /nfs/dbraw/zinc/05/06/30/180050630.db2.gz JRJMFLKFDWVOHM-IPYPFGDCSA-N 2 1 260.381 2.049 10 0 CEAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892553 180054074 /nfs/dbraw/zinc/05/40/74/180054074.db2.gz BHCDSBNGQNSXOT-DOMZBBRYSA-N 2 1 278.371 2.061 10 0 CEAEMP [NH3+]CCC[C@H]1CCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895434 180056280 /nfs/dbraw/zinc/05/62/80/180056280.db2.gz JWDJGGBRNPZEMA-GJZGRUSLSA-N 2 1 278.371 2.333 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903685 180060278 /nfs/dbraw/zinc/06/02/78/180060278.db2.gz NRIHCBQEPNRKOO-RISCZKNCSA-N 2 1 280.799 2.185 10 0 CEAEMP C[C@@H]1CCCCC[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958710 180074450 /nfs/dbraw/zinc/07/44/50/180074450.db2.gz XHTKXPOFDKZKIH-LLVKDONJSA-N 2 1 253.415 2.409 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2sccc2N)C1 ZINC000090960381 180075418 /nfs/dbraw/zinc/07/54/18/180075418.db2.gz AXBZZJDWWLNVRB-LLVKDONJSA-N 2 1 253.415 2.150 10 0 CEAEMP CC(=O)Nc1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000090960991 180076494 /nfs/dbraw/zinc/07/64/94/180076494.db2.gz STSGBDCXZUKCSZ-UHFFFAOYSA-N 2 1 277.412 2.322 10 0 CEAEMP Cn1c[nH+]cc1Cn1cc(C[NH2+]C2CC2)c2cccnc21 ZINC000091020819 180088205 /nfs/dbraw/zinc/08/82/05/180088205.db2.gz ANESTUPWCLJMKV-UHFFFAOYSA-N 2 1 281.363 2.070 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)CC2CC(O)C2)CCCCC1 ZINC000091490749 180169554 /nfs/dbraw/zinc/16/95/54/180169554.db2.gz PETVHMBUOQEQKN-UHFFFAOYSA-N 2 1 268.445 2.249 10 0 CEAEMP CCC(CC)(C[NH2+]C(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091499467 180173934 /nfs/dbraw/zinc/17/39/34/180173934.db2.gz VHBWKUWRGDIIIZ-UHFFFAOYSA-N 2 1 270.461 2.494 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000091430271 180152674 /nfs/dbraw/zinc/15/26/74/180152674.db2.gz OBNDZVZXMCBFNT-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000091430271 180152676 /nfs/dbraw/zinc/15/26/76/180152676.db2.gz OBNDZVZXMCBFNT-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[C@](C)([C@H](Cc1ccn(C(C)C)n1)[NH2+]C)[NH+](C)C ZINC000091570795 180195789 /nfs/dbraw/zinc/19/57/89/180195789.db2.gz CEUVTGNZCHGPPS-LSDHHAIUSA-N 2 1 266.433 2.325 10 0 CEAEMP CCN(CC)[C@@](C)(CC)[C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000091599124 180202713 /nfs/dbraw/zinc/20/27/13/180202713.db2.gz ATAHKMMZECLDBV-ZBFHGGJFSA-N 2 1 278.444 2.305 10 0 CEAEMP CCCn1ncnc1C[C@H]([NH2+]C)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091606869 180204637 /nfs/dbraw/zinc/20/46/37/180204637.db2.gz RYKOOCJYUZPBTO-GOEBONIOSA-N 2 1 293.459 2.083 10 0 CEAEMP Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)[nH]c12 ZINC000091644627 180214742 /nfs/dbraw/zinc/21/47/42/180214742.db2.gz LECGQFVKSDGIFZ-CQSZACIVSA-N 2 1 299.418 2.458 10 0 CEAEMP Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCC[C@@H]([NH3+])CC3)[nH]c12 ZINC000091644627 180214743 /nfs/dbraw/zinc/21/47/43/180214743.db2.gz LECGQFVKSDGIFZ-CQSZACIVSA-N 2 1 299.418 2.458 10 0 CEAEMP Cc1cccc([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000091720659 180235378 /nfs/dbraw/zinc/23/53/78/180235378.db2.gz NOIYTHHQMXOFBE-BMFZPTHFSA-N 2 1 260.381 2.166 10 0 CEAEMP Cc1cccc([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000091720659 180235379 /nfs/dbraw/zinc/23/53/79/180235379.db2.gz NOIYTHHQMXOFBE-BMFZPTHFSA-N 2 1 260.381 2.166 10 0 CEAEMP C[NH2+][C@H](CC1CCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720920 180236203 /nfs/dbraw/zinc/23/62/03/180236203.db2.gz ZHYNHASXTKXQSJ-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP C[NH2+][C@H](CC1CCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720920 180236207 /nfs/dbraw/zinc/23/62/07/180236207.db2.gz ZHYNHASXTKXQSJ-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP C[NH2+][C@@H]1CCCc2sc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722538 180240796 /nfs/dbraw/zinc/24/07/96/180240796.db2.gz HWZCTRHRJPKFKX-UTUOFQBUSA-N 2 1 293.436 2.276 10 0 CEAEMP CCC[NH2+]Cc1sc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723138 180241490 /nfs/dbraw/zinc/24/14/90/180241490.db2.gz PJMZBHANTBIVBA-OLZOCXBDSA-N 2 1 295.452 2.487 10 0 CEAEMP CCC(CC)NC(=O)[C@H](C)[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091851011 180272417 /nfs/dbraw/zinc/27/24/17/180272417.db2.gz RIAFSDAKTHTGRI-OPFPJEHXSA-N 2 1 283.460 2.272 10 0 CEAEMP C[N@@H+]([C@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091843754 180269167 /nfs/dbraw/zinc/26/91/67/180269167.db2.gz HOFHJGYEYRFIAK-MGULZYLOSA-N 2 1 262.353 2.027 10 0 CEAEMP CC[N@@H+]([C@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091850090 180271779 /nfs/dbraw/zinc/27/17/79/180271779.db2.gz JNAPDAAJQDLPNG-LMWSTFAQSA-N 2 1 250.390 2.073 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091870563 180276882 /nfs/dbraw/zinc/27/68/82/180276882.db2.gz GMXULRMLHLCJPK-QQFBHYJXSA-N 2 1 295.471 2.240 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H](C)c2cn(C)nc2C)CC1 ZINC000091871292 180276940 /nfs/dbraw/zinc/27/69/40/180276940.db2.gz HXJLRJHWLMLOFQ-HSBZDZAISA-N 2 1 264.417 2.252 10 0 CEAEMP CC[C@@H]([NH3+])c1ccccc1OC[C@H]1C[N@H+](CC)CCO1 ZINC000092050982 180311952 /nfs/dbraw/zinc/31/19/52/180311952.db2.gz VXPATPZEECWHQZ-UKRRQHHQSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@@H]([NH3+])c1ccccc1OC[C@H]1C[N@@H+](CC)CCO1 ZINC000092050982 180311954 /nfs/dbraw/zinc/31/19/54/180311954.db2.gz VXPATPZEECWHQZ-UKRRQHHQSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@@H]([NH3+])Cc1cccc(OC[C@H]2C[N@H+](CC)CCO2)c1 ZINC000092060668 180315294 /nfs/dbraw/zinc/31/52/94/180315294.db2.gz YOOJVCRPVNRIDS-NVXWUHKLSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@@H]([NH3+])Cc1cccc(OC[C@H]2C[N@@H+](CC)CCO2)c1 ZINC000092060668 180315296 /nfs/dbraw/zinc/31/52/96/180315296.db2.gz YOOJVCRPVNRIDS-NVXWUHKLSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@@H]([NH3+])Cc1ccc(OC[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000092060620 180315700 /nfs/dbraw/zinc/31/57/00/180315700.db2.gz KLDMKASWMCFKLX-NVXWUHKLSA-N 2 1 292.423 2.066 10 0 CEAEMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996217 180301754 /nfs/dbraw/zinc/30/17/54/180301754.db2.gz ZOZGXGWBIPMCGJ-TZMCWYRMSA-N 2 1 263.385 2.045 10 0 CEAEMP CC[C@@H]([NH3+])Cc1ccc(OC[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092060620 180315702 /nfs/dbraw/zinc/31/57/02/180315702.db2.gz KLDMKASWMCFKLX-NVXWUHKLSA-N 2 1 292.423 2.066 10 0 CEAEMP CCC[NH2+]Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003345 180304374 /nfs/dbraw/zinc/30/43/74/180304374.db2.gz VRWZYNKIBVEPBQ-CVEARBPZSA-N 2 1 288.439 2.254 10 0 CEAEMP CC[NH2+]Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003887 180304671 /nfs/dbraw/zinc/30/46/71/180304671.db2.gz HXYMNACQSWVBRF-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000092003887 180304672 /nfs/dbraw/zinc/30/46/72/180304672.db2.gz HXYMNACQSWVBRF-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000092003887 180304673 /nfs/dbraw/zinc/30/46/73/180304673.db2.gz HXYMNACQSWVBRF-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000092060618 180315607 /nfs/dbraw/zinc/31/56/07/180315607.db2.gz KLDMKASWMCFKLX-WBVHZDCISA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092060618 180315608 /nfs/dbraw/zinc/31/56/08/180315608.db2.gz KLDMKASWMCFKLX-WBVHZDCISA-N 2 1 292.423 2.066 10 0 CEAEMP C[C@H]1C[N@@H+](CCCC(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000092082048 180319940 /nfs/dbraw/zinc/31/99/40/180319940.db2.gz JMNXXPZEOATMSG-OKILXGFUSA-N 2 1 289.423 2.452 10 0 CEAEMP C[N@@H+](Cc1cccc(Cl)n1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092366907 180369249 /nfs/dbraw/zinc/36/92/49/180369249.db2.gz ZUNAABOWFYBDTR-ZYHUDNBSSA-N 2 1 253.777 2.294 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2)CC[N@H+]1C ZINC000107906984 186197239 /nfs/dbraw/zinc/19/72/39/186197239.db2.gz YXYRBVBYUXMPCO-CVEARBPZSA-N 2 1 261.413 2.021 10 0 CEAEMP Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000108945679 186237392 /nfs/dbraw/zinc/23/73/92/186237392.db2.gz JYPYIIHMWONLJS-CYBMUJFWSA-N 2 1 271.364 2.286 10 0 CEAEMP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000108945679 186237394 /nfs/dbraw/zinc/23/73/94/186237394.db2.gz JYPYIIHMWONLJS-CYBMUJFWSA-N 2 1 271.364 2.286 10 0 CEAEMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000109603706 186266652 /nfs/dbraw/zinc/26/66/52/186266652.db2.gz JWINACLOKWVNFM-CQSZACIVSA-N 2 1 294.370 2.060 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](C)CC1CCCC1 ZINC000110841214 186328057 /nfs/dbraw/zinc/32/80/57/186328057.db2.gz CKBUGZLLJWOTOH-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000110926424 186334044 /nfs/dbraw/zinc/33/40/44/186334044.db2.gz YYNBQKSWHOOWKA-ZWKOTPCHSA-N 2 1 287.451 2.335 10 0 CEAEMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000110936615 186334962 /nfs/dbraw/zinc/33/49/62/186334962.db2.gz VMNQQSFZQQCBFM-QZTJIDSGSA-N 2 1 287.451 2.335 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)s2)CC[N@@H+]1C ZINC000110701624 186314548 /nfs/dbraw/zinc/31/45/48/186314548.db2.gz ASWBHIFNJYXZTK-ZJUUUORDSA-N 2 1 273.833 2.037 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)s2)CC[N@H+]1C ZINC000110701624 186314549 /nfs/dbraw/zinc/31/45/49/186314549.db2.gz ASWBHIFNJYXZTK-ZJUUUORDSA-N 2 1 273.833 2.037 10 0 CEAEMP COc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704701 186314672 /nfs/dbraw/zinc/31/46/72/186314672.db2.gz VDKHMLKETKHVBN-BBRMVZONSA-N 2 1 291.439 2.110 10 0 CEAEMP Cc1cc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c(C)s1 ZINC000110711424 186315380 /nfs/dbraw/zinc/31/53/80/186315380.db2.gz SUJWYNGZGAAXHF-CQSZACIVSA-N 2 1 281.469 2.391 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)C[C@@H]1C ZINC000110708697 186316681 /nfs/dbraw/zinc/31/66/81/186316681.db2.gz HUHXECVPSYMULR-BBRMVZONSA-N 2 1 279.403 2.160 10 0 CEAEMP CC[C@H]1C[N@@H+](CCCCC[NH2+]C(C)C)CCN1C ZINC000110753798 186320604 /nfs/dbraw/zinc/32/06/04/186320604.db2.gz XLALXLPHIRJJOE-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN(CCCCC[NH2+]C(C)C)CC[N@@H+]1C ZINC000110753798 186320605 /nfs/dbraw/zinc/32/06/05/186320605.db2.gz XLALXLPHIRJJOE-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN(CCCCC[NH2+]C(C)C)CC[N@H+]1C ZINC000110753798 186320606 /nfs/dbraw/zinc/32/06/06/186320606.db2.gz XLALXLPHIRJJOE-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@H+]1C ZINC000110760236 186323274 /nfs/dbraw/zinc/32/32/74/186323274.db2.gz KBBQACVXTPDVBL-NSHDSACASA-N 2 1 296.484 2.430 10 0 CEAEMP CCCc1nc(N2CC[N@@H+](C)C(C)(C)C2)sc1C[NH2+]C ZINC000110760445 186323661 /nfs/dbraw/zinc/32/36/61/186323661.db2.gz IGNKHXAWEIIQET-UHFFFAOYSA-N 2 1 296.484 2.345 10 0 CEAEMP CCOCC[N@@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000111124047 186355076 /nfs/dbraw/zinc/35/50/76/186355076.db2.gz IAKLTACBJGCDDA-UHFFFAOYSA-N 2 1 280.412 2.143 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+]2CCc3sccc3C2)CCCOC1 ZINC000111323973 186396913 /nfs/dbraw/zinc/39/69/13/186396913.db2.gz JQJZWEFNECQJJQ-HNNXBMFYSA-N 2 1 280.437 2.122 10 0 CEAEMP C[NH2+]C[C@]1(C[N@H+]2CCc3sccc3C2)CCCOC1 ZINC000111323973 186396914 /nfs/dbraw/zinc/39/69/14/186396914.db2.gz JQJZWEFNECQJJQ-HNNXBMFYSA-N 2 1 280.437 2.122 10 0 CEAEMP CC(C)C[NH2+]C[C@@]1(C[N@@H+](C)C2CC2)CCCOC1 ZINC000111324705 186399252 /nfs/dbraw/zinc/39/92/52/186399252.db2.gz KVQUUSPWSNBNFQ-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP Cc1cccc(C[N@H+](C)C[C@@]2(C[NH3+])CCCOC2)c1 ZINC000111328775 186399916 /nfs/dbraw/zinc/39/99/16/186399916.db2.gz WZBVZAINFVMZFZ-INIZCTEOSA-N 2 1 262.397 2.182 10 0 CEAEMP C[NH2+][C@@H](C)C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000111708236 186448606 /nfs/dbraw/zinc/44/86/06/186448606.db2.gz FOCGEIVHSWUBBQ-LBPRGKRZSA-N 2 1 293.386 2.084 10 0 CEAEMP CCCCOC(=O)CN1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000155230468 188192277 /nfs/dbraw/zinc/19/22/77/188192277.db2.gz RIONBSJFGILFBN-CQSZACIVSA-N 2 1 293.411 2.426 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000156562991 540008769 /nfs/dbraw/zinc/00/87/69/540008769.db2.gz DBJJWRDKWQYAKZ-ZUZCIYMTSA-N 2 1 291.782 2.441 10 0 CEAEMP CCO[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000405316047 540134339 /nfs/dbraw/zinc/13/43/39/540134339.db2.gz WUFYWTKKLIJVBG-JHJVBQTASA-N 2 1 276.371 2.108 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCCCO)C2)[nH+]1 ZINC000151110108 366621302 /nfs/dbraw/zinc/62/13/02/366621302.db2.gz NGQGEBPRNKYFDF-OAHLLOKOSA-N 2 1 277.412 2.286 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCCCO)C2)[nH+]1 ZINC000151110108 366621305 /nfs/dbraw/zinc/62/13/05/366621305.db2.gz NGQGEBPRNKYFDF-OAHLLOKOSA-N 2 1 277.412 2.286 10 0 CEAEMP Cc1c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cnn1C ZINC000093649203 364208898 /nfs/dbraw/zinc/20/88/98/364208898.db2.gz XVPTZPLRYODTFR-CYBMUJFWSA-N 2 1 264.417 2.083 10 0 CEAEMP Cc1c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cnn1C ZINC000093649203 364208901 /nfs/dbraw/zinc/20/89/01/364208901.db2.gz XVPTZPLRYODTFR-CYBMUJFWSA-N 2 1 264.417 2.083 10 0 CEAEMP C[N@@H+](CCC[NH2+]C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000094074291 364250458 /nfs/dbraw/zinc/25/04/58/364250458.db2.gz MZTZTVWTOXHGLE-UHFFFAOYSA-N 3 1 275.440 2.368 10 0 CEAEMP CN(CCC[NH2+]C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000094074291 364250465 /nfs/dbraw/zinc/25/04/65/364250465.db2.gz MZTZTVWTOXHGLE-UHFFFAOYSA-N 2 1 275.440 2.368 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000159147965 366881674 /nfs/dbraw/zinc/88/16/74/366881674.db2.gz ZKBDYEQKFMNABB-HZPDHXFCSA-N 2 1 278.444 2.372 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000159147965 366881677 /nfs/dbraw/zinc/88/16/77/366881677.db2.gz ZKBDYEQKFMNABB-HZPDHXFCSA-N 2 1 278.444 2.372 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631838585 367578410 /nfs/dbraw/zinc/57/84/10/367578410.db2.gz QTGAPVJSWHOFAL-PWSUYJOCSA-N 2 1 268.788 2.375 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631838585 367578416 /nfs/dbraw/zinc/57/84/16/367578416.db2.gz QTGAPVJSWHOFAL-PWSUYJOCSA-N 2 1 268.788 2.375 10 0 CEAEMP C[C@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631838849 367579332 /nfs/dbraw/zinc/57/93/32/367579332.db2.gz WDJCWRDVLLRQJD-GOEBONIOSA-N 2 1 262.397 2.120 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000631843076 367585056 /nfs/dbraw/zinc/58/50/56/367585056.db2.gz JDOLHCJQPWLNSV-CMPLNLGQSA-N 2 1 296.798 2.138 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000631843076 367585062 /nfs/dbraw/zinc/58/50/62/367585062.db2.gz JDOLHCJQPWLNSV-CMPLNLGQSA-N 2 1 296.798 2.138 10 0 CEAEMP Cc1cnc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)o1 ZINC000173779079 367943370 /nfs/dbraw/zinc/94/33/70/367943370.db2.gz DZWDSZNJTWDTFO-ZDUSSCGKSA-N 2 1 272.352 2.312 10 0 CEAEMP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000231460810 370480844 /nfs/dbraw/zinc/48/08/44/370480844.db2.gz TTWDDLBIFVEJNP-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000231460810 370480850 /nfs/dbraw/zinc/48/08/50/370480850.db2.gz TTWDDLBIFVEJNP-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000250610033 371387686 /nfs/dbraw/zinc/38/76/86/371387686.db2.gz MJFONJPBMDTOLK-JKSUJKDBSA-N 2 1 262.397 2.184 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000250610033 371387694 /nfs/dbraw/zinc/38/76/94/371387694.db2.gz MJFONJPBMDTOLK-JKSUJKDBSA-N 2 1 262.397 2.184 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261588178 371665439 /nfs/dbraw/zinc/66/54/39/371665439.db2.gz KAWQKENHNMRJPA-CWRNSKLLSA-N 2 1 260.381 2.254 10 0 CEAEMP C[C@@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000261549254 371643991 /nfs/dbraw/zinc/64/39/91/371643991.db2.gz OKYAYGMRFVEIPI-KBAYOESNSA-N 2 1 287.451 2.381 10 0 CEAEMP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549254 371643993 /nfs/dbraw/zinc/64/39/93/371643993.db2.gz OKYAYGMRFVEIPI-KBAYOESNSA-N 2 1 287.451 2.381 10 0 CEAEMP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261853740 371751299 /nfs/dbraw/zinc/75/12/99/371751299.db2.gz BKWWGTLIJHZSTQ-XHSDSOJGSA-N 2 1 266.429 2.313 10 0 CEAEMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261960126 371786454 /nfs/dbraw/zinc/78/64/54/371786454.db2.gz PMUHKJYYFPTJSA-BFHYXJOUSA-N 2 1 295.452 2.007 10 0 CEAEMP CC(C)Oc1ncccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643471820 373141766 /nfs/dbraw/zinc/14/17/66/373141766.db2.gz DMWLRJRWBPPPBX-ZIAGYGMSSA-N 2 1 277.412 2.347 10 0 CEAEMP CCOCC[N@H+]1CCN(c2cc[nH+]c(C)c2)C[C@@H]1CC ZINC000274320572 373878079 /nfs/dbraw/zinc/87/80/79/373878079.db2.gz CQJFMKNLZIDOGC-HNNXBMFYSA-N 2 1 277.412 2.327 10 0 CEAEMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc3C2)C[C@@]1(C)C[NH3+] ZINC000388553627 375292879 /nfs/dbraw/zinc/29/28/79/375292879.db2.gz WQWILFUKFIPSMH-KBRIMQKVSA-N 2 1 258.409 2.461 10 0 CEAEMP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH2+]CC2)CCC1 ZINC000386803955 375266292 /nfs/dbraw/zinc/26/62/92/375266292.db2.gz CFEAICBTXKZPDV-UHFFFAOYSA-N 2 1 287.451 2.383 10 0 CEAEMP CN(Cc1ccccc1)C1(C[NH2+]C2CC[NH2+]CC2)CCC1 ZINC000386803955 375266301 /nfs/dbraw/zinc/26/63/01/375266301.db2.gz CFEAICBTXKZPDV-UHFFFAOYSA-N 2 1 287.451 2.383 10 0 CEAEMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000520793838 379503989 /nfs/dbraw/zinc/50/39/89/379503989.db2.gz LMRGSNMODHOYFS-DOTOQJQBSA-N 2 1 275.440 2.096 10 0 CEAEMP CC1(C)CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC(C)(C)[NH2+]1 ZINC000093210383 184655913 /nfs/dbraw/zinc/65/59/13/184655913.db2.gz BHVCIDCRAGOYIX-VXGBXAGGSA-N 3 1 253.434 2.155 10 0 CEAEMP CC[NH2+][C@@]1(CO)CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000093784056 184721768 /nfs/dbraw/zinc/72/17/68/184721768.db2.gz CGYSSEITXIIQBE-HIFRSBDPSA-N 2 1 265.401 2.462 10 0 CEAEMP C[NH2+][C@H]1COC[C@H]1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000094859485 184883174 /nfs/dbraw/zinc/88/31/74/184883174.db2.gz AWMJJHOICVVVEG-OCCSQVGLSA-N 2 1 254.418 2.121 10 0 CEAEMP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000301635526 394463524 /nfs/dbraw/zinc/46/35/24/394463524.db2.gz DXRZOIZSIGBWSC-DLBZAZTESA-N 2 1 283.375 2.062 10 0 CEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000247337529 394529492 /nfs/dbraw/zinc/52/94/92/394529492.db2.gz NIOYDKZMOLYKFX-PMPSAXMXSA-N 2 1 295.471 2.096 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000328347150 394552229 /nfs/dbraw/zinc/55/22/29/394552229.db2.gz MGKJZAWSOGTLJX-ZACQAIPSSA-N 2 1 274.408 2.230 10 0 CEAEMP CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262033287 394612427 /nfs/dbraw/zinc/61/24/27/394612427.db2.gz XSQRWLALOGRNEL-RCCFBDPRSA-N 2 1 288.435 2.496 10 0 CEAEMP CO[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189698 395161658 /nfs/dbraw/zinc/16/16/58/395161658.db2.gz IHIAWLZKSJYLFI-JKSUJKDBSA-N 2 1 262.397 2.448 10 0 CEAEMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262006938 300072539 /nfs/dbraw/zinc/07/25/39/300072539.db2.gz VDZPDLVTHHUNIR-OXGONZEZSA-N 2 1 266.429 2.312 10 0 CEAEMP Brc1c[nH+]ccc1N[C@H]1CCC[NH2+]C1 ZINC000159900103 162319091 /nfs/dbraw/zinc/31/90/91/162319091.db2.gz DBQMUQOVDRKXRI-QMMMGPOBSA-N 2 1 256.147 2.008 10 0 CEAEMP C[C@H]1CCCN(c2cc[nH+]cc2Br)[C@@H]1C[NH3+] ZINC000159906526 162320607 /nfs/dbraw/zinc/32/06/07/162320607.db2.gz UQRGNOCUEZNRJZ-JOYOIKCWSA-N 2 1 284.201 2.408 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)NCCC[NH+](C)C)C1 ZINC000037210226 173033045 /nfs/dbraw/zinc/03/30/45/173033045.db2.gz QYLUWPAVVBVCJP-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC[NH+](C)C)C1 ZINC000037210226 173033048 /nfs/dbraw/zinc/03/30/48/173033048.db2.gz QYLUWPAVVBVCJP-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC[NH+](C)C)C1 ZINC000037210226 173033051 /nfs/dbraw/zinc/03/30/51/173033051.db2.gz QYLUWPAVVBVCJP-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)C[C@@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221707 173041911 /nfs/dbraw/zinc/04/19/11/173041911.db2.gz XAWYRTURERWXRS-OAGGEKHMSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000037221707 173041914 /nfs/dbraw/zinc/04/19/14/173041914.db2.gz XAWYRTURERWXRS-OAGGEKHMSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000037221707 173041917 /nfs/dbraw/zinc/04/19/17/173041917.db2.gz XAWYRTURERWXRS-OAGGEKHMSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)Oc1cccc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1 ZINC000040640965 174364485 /nfs/dbraw/zinc/36/44/85/174364485.db2.gz KADQUTRUBBJRDB-KRWDZBQOSA-N 2 1 291.439 2.111 10 0 CEAEMP CCOCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040769201 174399683 /nfs/dbraw/zinc/39/96/83/174399683.db2.gz MAROXCKMZSHWPL-YIONKMFJSA-N 2 1 254.418 2.121 10 0 CEAEMP CCOCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040769201 174399685 /nfs/dbraw/zinc/39/96/85/174399685.db2.gz MAROXCKMZSHWPL-YIONKMFJSA-N 2 1 254.418 2.121 10 0 CEAEMP Cc1cccc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000042395383 174708679 /nfs/dbraw/zinc/70/86/79/174708679.db2.gz XYCJDKVXGXYGTH-UHFFFAOYSA-N 2 1 274.408 2.451 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810132 175109784 /nfs/dbraw/zinc/10/97/84/175109784.db2.gz VPEGWCBXVVDMCA-ZNMIVQPWSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810132 175109786 /nfs/dbraw/zinc/10/97/86/175109786.db2.gz VPEGWCBXVVDMCA-ZNMIVQPWSA-N 2 1 282.428 2.135 10 0 CEAEMP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818566 175114150 /nfs/dbraw/zinc/11/41/50/175114150.db2.gz APBRFWDMSNIVBF-ROUUACIJSA-N 2 1 287.451 2.290 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)C(C)C)OCCO2 ZINC000043883149 175116102 /nfs/dbraw/zinc/11/61/02/175116102.db2.gz RJWWRHPEQDFIRY-GJZGRUSLSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)C(C)C)OCCO2 ZINC000043883149 175116103 /nfs/dbraw/zinc/11/61/03/175116103.db2.gz RJWWRHPEQDFIRY-GJZGRUSLSA-N 2 1 284.444 2.381 10 0 CEAEMP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@@H+](C)CCOC ZINC000043915646 175124823 /nfs/dbraw/zinc/12/48/23/175124823.db2.gz XQIJIFQAVBCNDJ-ZDUSSCGKSA-N 2 1 280.412 2.444 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000045172731 175321459 /nfs/dbraw/zinc/32/14/59/175321459.db2.gz PYMBWAJMJHEGDQ-FZMZJTMJSA-N 2 1 264.417 2.029 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000045172731 175321461 /nfs/dbraw/zinc/32/14/61/175321461.db2.gz PYMBWAJMJHEGDQ-FZMZJTMJSA-N 2 1 264.417 2.029 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045172124 175321849 /nfs/dbraw/zinc/32/18/49/175321849.db2.gz BXYRLEODUXWIOC-IUODEOHRSA-N 2 1 278.444 2.418 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045172124 175321850 /nfs/dbraw/zinc/32/18/50/175321850.db2.gz BXYRLEODUXWIOC-IUODEOHRSA-N 2 1 278.444 2.418 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272164 175343244 /nfs/dbraw/zinc/34/32/44/175343244.db2.gz LZYFQMIMMMBDCT-ZMSDIMECSA-N 2 1 295.471 2.132 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272164 175343246 /nfs/dbraw/zinc/34/32/46/175343246.db2.gz LZYFQMIMMMBDCT-ZMSDIMECSA-N 2 1 295.471 2.132 10 0 CEAEMP C[C@@](CC[N@@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(N)=O ZINC000045277436 175347217 /nfs/dbraw/zinc/34/72/17/175347217.db2.gz PAKGERMMIJTHTD-WBVHZDCISA-N 2 1 293.455 2.027 10 0 CEAEMP C[C@@](CC[N@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(N)=O ZINC000045277436 175347218 /nfs/dbraw/zinc/34/72/18/175347218.db2.gz PAKGERMMIJTHTD-WBVHZDCISA-N 2 1 293.455 2.027 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384159 175370644 /nfs/dbraw/zinc/37/06/44/175370644.db2.gz WYEIHFLHMHJENA-HOCLYGCPSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383376 175371119 /nfs/dbraw/zinc/37/11/19/175371119.db2.gz LXZXYYMFGYYWRW-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383376 175371120 /nfs/dbraw/zinc/37/11/20/175371120.db2.gz LXZXYYMFGYYWRW-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@H+](CCC[C@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385992 175372215 /nfs/dbraw/zinc/37/22/15/175372215.db2.gz UTRPXNNWVRGDMV-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385992 175372217 /nfs/dbraw/zinc/37/22/17/175372217.db2.gz UTRPXNNWVRGDMV-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045386883 175372609 /nfs/dbraw/zinc/37/26/09/175372609.db2.gz QUMUTCSJVIFPCL-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045386883 175372610 /nfs/dbraw/zinc/37/26/10/175372610.db2.gz QUMUTCSJVIFPCL-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)C[C@@H](C)CC ZINC000045388622 175373820 /nfs/dbraw/zinc/37/38/20/175373820.db2.gz GDRQRZKGTFGXBA-JSGCOSHPSA-N 2 1 258.406 2.025 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393014 175375669 /nfs/dbraw/zinc/37/56/69/175375669.db2.gz UYYYBGYZBFAPGV-SWLSCSKDSA-N 2 1 270.417 2.038 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393014 175375671 /nfs/dbraw/zinc/37/56/71/175375671.db2.gz UYYYBGYZBFAPGV-SWLSCSKDSA-N 2 1 270.417 2.038 10 0 CEAEMP c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071090729 176031615 /nfs/dbraw/zinc/03/16/15/176031615.db2.gz NXFSQECFJVEKRN-KSSFIOAISA-N 2 1 286.419 2.374 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000071124744 176035180 /nfs/dbraw/zinc/03/51/80/176035180.db2.gz FLYTVIGXTXNBTF-BRWVUGGUSA-N 2 1 279.472 2.454 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000071188493 176062667 /nfs/dbraw/zinc/06/26/67/176062667.db2.gz MQPXXONSEYCVPG-RISCZKNCSA-N 2 1 299.821 2.362 10 0 CEAEMP CCC[C@@]1(CN(C)C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]C1 ZINC000071190953 176067444 /nfs/dbraw/zinc/06/74/44/176067444.db2.gz GWXAJOMWRAKSMP-HZPDHXFCSA-N 2 1 267.461 2.040 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191378 176070597 /nfs/dbraw/zinc/07/05/97/176070597.db2.gz KGFLDFOJWAAJTR-OWCLPIDISA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191858 176071549 /nfs/dbraw/zinc/07/15/49/176071549.db2.gz UMZWYLSQHZJYNF-HNNXBMFYSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191858 176071550 /nfs/dbraw/zinc/07/15/50/176071550.db2.gz UMZWYLSQHZJYNF-HNNXBMFYSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191858 176071552 /nfs/dbraw/zinc/07/15/52/176071552.db2.gz UMZWYLSQHZJYNF-HNNXBMFYSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191858 176071554 /nfs/dbraw/zinc/07/15/54/176071554.db2.gz UMZWYLSQHZJYNF-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191858 176071556 /nfs/dbraw/zinc/07/15/56/176071556.db2.gz UMZWYLSQHZJYNF-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP C[NH2+][C@H](C)c1sc(N(C)C[C@@H]2CC[N@@H+](C)C2)nc1C ZINC000071192494 176074566 /nfs/dbraw/zinc/07/45/66/176074566.db2.gz DHTQTFLPWFRAFL-ZYHUDNBSSA-N 2 1 282.457 2.120 10 0 CEAEMP C[C@H]([NH3+])c1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071193055 176075584 /nfs/dbraw/zinc/07/55/84/176075584.db2.gz SEMXLSUOOFLKOU-QWHCGFSZSA-N 2 1 290.411 2.122 10 0 CEAEMP CC(C)C[NH2+]CCCCCC[N@@H+](C)CCN(C)C ZINC000071290138 176110733 /nfs/dbraw/zinc/11/07/33/176110733.db2.gz DEVMTLRZQXKENZ-UHFFFAOYSA-N 2 1 257.466 2.286 10 0 CEAEMP CC(C)C[NH2+]CCCCCCN(C)CC[NH+](C)C ZINC000071290138 176110735 /nfs/dbraw/zinc/11/07/35/176110735.db2.gz DEVMTLRZQXKENZ-UHFFFAOYSA-N 2 1 257.466 2.286 10 0 CEAEMP C[N@@H+](CCNC1=[NH+]C(C)(C)CS1)C1CCCC1 ZINC000071377723 176143002 /nfs/dbraw/zinc/14/30/02/176143002.db2.gz VFHWVJADVQAIIU-UHFFFAOYSA-N 2 1 255.431 2.332 10 0 CEAEMP O[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424335017 271047385 /nfs/dbraw/zinc/04/73/85/271047385.db2.gz WGDMJXCMZQWAJA-PYWTVGQWSA-N 2 1 286.419 2.295 10 0 CEAEMP COCC[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000174735325 274031160 /nfs/dbraw/zinc/03/11/60/274031160.db2.gz RXYFWVLPQIJLLS-CQSZACIVSA-N 2 1 285.391 2.392 10 0 CEAEMP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261971515 277142440 /nfs/dbraw/zinc/14/24/40/277142440.db2.gz QPXZSIZSCQVZNL-MCIONIFRSA-N 2 1 254.418 2.169 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400767030 278284194 /nfs/dbraw/zinc/28/41/94/278284194.db2.gz ZIFSOCWJOPTZAH-YQQAZPJKSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400767030 278284195 /nfs/dbraw/zinc/28/41/95/278284195.db2.gz ZIFSOCWJOPTZAH-YQQAZPJKSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000124259729 290125074 /nfs/dbraw/zinc/12/50/74/290125074.db2.gz OVRYNKHTZIVBCE-HOTGVXAUSA-N 2 1 268.445 2.488 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]12 ZINC000261588649 295321262 /nfs/dbraw/zinc/32/12/62/295321262.db2.gz VVCVOOPZBVQQKM-UMSGYPCISA-N 2 1 258.356 2.481 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182199 519742714 /nfs/dbraw/zinc/74/27/14/519742714.db2.gz CGHVENYWUJIVPX-OAHLLOKOSA-N 2 1 268.445 2.371 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2CC)O1 ZINC000052375339 519924722 /nfs/dbraw/zinc/92/47/22/519924722.db2.gz GXJSFYMCAIORJI-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH2+]CC)CC1 ZINC000061266044 520398005 /nfs/dbraw/zinc/39/80/05/520398005.db2.gz RYLKDFODONEJMB-HNNXBMFYSA-N 2 1 297.487 2.203 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)CCCc1ccccc1 ZINC000062740942 520516147 /nfs/dbraw/zinc/51/61/47/520516147.db2.gz RMBZGWZOIZGQFU-INIZCTEOSA-N 2 1 264.413 2.305 10 0 CEAEMP CC[N@@H+](C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052452239 521229926 /nfs/dbraw/zinc/22/99/26/521229926.db2.gz SXWFHEYXQVECFI-KGLIPLIRSA-N 2 1 254.418 2.406 10 0 CEAEMP CC[N@H+](Cc1cc(C[NH3+])oc1C)C[C@H]1CCCO1 ZINC000052510885 521289656 /nfs/dbraw/zinc/28/96/56/521289656.db2.gz UEPDORQWTFUOKQ-CYBMUJFWSA-N 2 1 252.358 2.048 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCN2CCCCC2)C1 ZINC000049574775 521626245 /nfs/dbraw/zinc/62/62/45/521626245.db2.gz AWQODOAGEKOPEV-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP C1C[NH2+][C@@H]([C@H]2CCC[N@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590657 518580331 /nfs/dbraw/zinc/58/03/31/518580331.db2.gz KVAOPPYOWDZIGK-BFHYXJOUSA-N 2 1 254.443 2.346 10 0 CEAEMP CC(C)[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCSC2)on1 ZINC000052453309 519726098 /nfs/dbraw/zinc/72/60/98/519726098.db2.gz ZDKSLHQDDDJZHN-GFCCVEGCSA-N 2 1 269.414 2.110 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643311 519739875 /nfs/dbraw/zinc/73/98/75/519739875.db2.gz BUERWKKNFCEHML-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+]CCCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654650 519911870 /nfs/dbraw/zinc/91/18/70/519911870.db2.gz BHBDQGWRRLYXLS-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000052181011 519913466 /nfs/dbraw/zinc/91/34/66/519913466.db2.gz PNBBDLUEMXBHMQ-UHFFFAOYSA-N 2 1 288.435 2.451 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](CCOC)CC(C)C)on1 ZINC000052508559 519945721 /nfs/dbraw/zinc/94/57/21/519945721.db2.gz HSRHKZYYISHQRK-UHFFFAOYSA-N 2 1 283.416 2.279 10 0 CEAEMP CCC[NH2+]Cc1cc(CN2CCC[N@@H+](C)CC2)c(C)o1 ZINC000052424396 519945899 /nfs/dbraw/zinc/94/58/99/519945899.db2.gz BWIGNUPCYKLMHA-UHFFFAOYSA-N 2 1 279.428 2.225 10 0 CEAEMP CCC[NH2+]Cc1ccc(OCC[N@@H+](C)CCOC)cc1 ZINC000052572859 519952475 /nfs/dbraw/zinc/95/24/75/519952475.db2.gz PMVBTPBMTQRUOR-UHFFFAOYSA-N 2 1 280.412 2.143 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+]1CCO[C@H](C)C1 ZINC000052382477 519955938 /nfs/dbraw/zinc/95/59/38/519955938.db2.gz NNGALUNHSJCOLT-OAHLLOKOSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@H+]1CCO[C@H](C)C1 ZINC000052382477 519955945 /nfs/dbraw/zinc/95/59/45/519955945.db2.gz NNGALUNHSJCOLT-OAHLLOKOSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+]Cc1coc(C[N@@H+](C)[C@H](C)COC)c1 ZINC000052511760 519966158 /nfs/dbraw/zinc/96/61/58/519966158.db2.gz VAIPGRNCIMQICY-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+]Cc1occc1COCC[C@@H]1CCC[N@H+]1C ZINC000052673279 520029363 /nfs/dbraw/zinc/02/93/63/520029363.db2.gz JRSCXZNMURDGBE-AWEZNQCLSA-N 2 1 266.385 2.390 10 0 CEAEMP CC[NH2+][C@H](C)CCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078747 520172738 /nfs/dbraw/zinc/17/27/38/520172738.db2.gz JVSNFUSXQRAIOE-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062740959 520308895 /nfs/dbraw/zinc/30/88/95/520308895.db2.gz CQEGHMIFFXKQON-RRFJBIMHSA-N 2 1 254.418 2.252 10 0 CEAEMP CC[NH+](CC)C[C@@H](C)NCC[C@@H]1CCCC[N@H+]1C ZINC000052206269 520719537 /nfs/dbraw/zinc/71/95/37/520719537.db2.gz YOKBOLQQXFNSOU-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CCN(CC1CC1)[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000069237473 520966043 /nfs/dbraw/zinc/96/60/43/520966043.db2.gz DKXNNTUTDZFWDC-GOSISDBHSA-N 2 1 287.451 2.322 10 0 CEAEMP CCN(CC1CC1)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000069237473 520966052 /nfs/dbraw/zinc/96/60/52/520966052.db2.gz DKXNNTUTDZFWDC-GOSISDBHSA-N 2 1 287.451 2.322 10 0 CEAEMP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239486 521043540 /nfs/dbraw/zinc/04/35/40/521043540.db2.gz OHKBHSQWDLXYCQ-MRXNPFEDSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239486 521043547 /nfs/dbraw/zinc/04/35/47/521043547.db2.gz OHKBHSQWDLXYCQ-MRXNPFEDSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[N@H+](CCOC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052542702 521133774 /nfs/dbraw/zinc/13/37/74/521133774.db2.gz FHBDCCIZFFIILU-UHFFFAOYSA-N 2 1 269.389 2.031 10 0 CEAEMP CC[N@@H+](CCOC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052542702 521133781 /nfs/dbraw/zinc/13/37/81/521133781.db2.gz FHBDCCIZFFIILU-UHFFFAOYSA-N 2 1 269.389 2.031 10 0 CEAEMP CC[N@@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)CC(C)C ZINC000052449739 521184758 /nfs/dbraw/zinc/18/47/58/521184758.db2.gz KPNHYTDHZRAGRA-UHFFFAOYSA-N 2 1 281.448 2.144 10 0 CEAEMP CCC(CC)(C[NH2+]CC(C)C)C[N@H+]1CC[C@@H](O)C1 ZINC000061711754 521439873 /nfs/dbraw/zinc/43/98/73/521439873.db2.gz YFBYLZJTXNIAHM-CQSZACIVSA-N 2 1 256.434 2.105 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)NCC[NH+]2CCCCC2)C1 ZINC000049574775 521626238 /nfs/dbraw/zinc/62/62/38/521626238.db2.gz AWQODOAGEKOPEV-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCN2CCCCC2)C1 ZINC000049574775 521626244 /nfs/dbraw/zinc/62/62/44/521626244.db2.gz AWQODOAGEKOPEV-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1CCCC[NH2+]C(C)(C)C ZINC000061654687 521865301 /nfs/dbraw/zinc/86/53/01/521865301.db2.gz VLMZGAGOJDQUKK-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000052181035 521966478 /nfs/dbraw/zinc/96/64/78/521966478.db2.gz ORRCMYJFAVMHQF-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2F)O1 ZINC000052541463 522058049 /nfs/dbraw/zinc/05/80/49/522058049.db2.gz LQSSPBVMBLLQOG-KBPBESRZSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCCSCC2)oc1C ZINC000052371034 522107922 /nfs/dbraw/zinc/10/79/22/522107922.db2.gz JFWXDNIAXPXXJB-UHFFFAOYSA-N 2 1 254.399 2.246 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540243 522133641 /nfs/dbraw/zinc/13/36/41/522133641.db2.gz KCFHTHUBUPQJIX-IRXDYDNUSA-N 2 1 290.407 2.038 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540243 522133649 /nfs/dbraw/zinc/13/36/49/522133649.db2.gz KCFHTHUBUPQJIX-IRXDYDNUSA-N 2 1 290.407 2.038 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@@H+](CCOC)CC(C)C ZINC000052508491 522140664 /nfs/dbraw/zinc/14/06/64/522140664.db2.gz XQGKVIVOMYOWQY-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP C[NH2+][C@@H]1CCc2c1cccc2OCCn1cc[nH+]c1C ZINC000062798909 522397208 /nfs/dbraw/zinc/39/72/08/522397208.db2.gz MROPXUNOMNQUII-OAHLLOKOSA-N 2 1 271.364 2.477 10 0 CEAEMP COCCC[N@@H+](C)Cc1cc(C[NH2+]C2CC2)c(C)o1 ZINC000062036034 523229959 /nfs/dbraw/zinc/22/99/59/523229959.db2.gz CRMGEVZBAAVRMM-UHFFFAOYSA-N 2 1 266.385 2.308 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570960 523342645 /nfs/dbraw/zinc/34/26/45/523342645.db2.gz WEAPWMZFXXWEQD-GWCFXTLKSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570960 523342652 /nfs/dbraw/zinc/34/26/52/523342652.db2.gz WEAPWMZFXXWEQD-GWCFXTLKSA-N 2 1 252.358 2.046 10 0 CEAEMP COCC[N@@H+](CCCC[NH2+]C(C)(C)C)[C@H](C)COC ZINC000052572259 523693503 /nfs/dbraw/zinc/69/35/03/523693503.db2.gz ZPVLCSNUUOJFEO-CQSZACIVSA-N 2 1 274.449 2.138 10 0 CEAEMP COCC[N@@H+](CCC[C@@H]1CCC[NH2+]1)[C@@H](C)C1CC1 ZINC000052764534 523695227 /nfs/dbraw/zinc/69/52/27/523695227.db2.gz MTKMLPDGBWCUBK-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP COCC[NH+](CCOC)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052571450 523718896 /nfs/dbraw/zinc/71/88/96/523718896.db2.gz TUWOTWUVIBNSCU-UHFFFAOYSA-N 2 1 298.427 2.120 10 0 CEAEMP CC[C@H](C)[NH+]1CCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000055083321 523947474 /nfs/dbraw/zinc/94/74/74/523947474.db2.gz LPMLMBAEUIZTLK-ZDUSSCGKSA-N 2 1 266.433 2.260 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083448 523953415 /nfs/dbraw/zinc/95/34/15/523953415.db2.gz XOYRHOMWNZZQSV-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[C@H](C)N1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064175 523959756 /nfs/dbraw/zinc/95/97/56/523959756.db2.gz ABWNVHQQXNHJNM-XHSDSOJGSA-N 2 1 267.461 2.310 10 0 CEAEMP C[NH+](C)CCCNCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000053428787 524056746 /nfs/dbraw/zinc/05/67/46/524056746.db2.gz VOPZHJQNTSKWOT-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP Cc1ccc(C)c(C[N@H+]2CCCN(CCC[NH3+])CC2)c1 ZINC000049256659 524100623 /nfs/dbraw/zinc/10/06/23/524100623.db2.gz ASLJGUKTJAUOSX-UHFFFAOYSA-N 2 1 275.440 2.160 10 0 CEAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183500 524130750 /nfs/dbraw/zinc/13/07/50/524130750.db2.gz HZMNEFLKSCZROB-KGLIPLIRSA-N 2 1 254.418 2.252 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571669 524459287 /nfs/dbraw/zinc/45/92/87/524459287.db2.gz SMUHCJFLPHMJDK-AWEZNQCLSA-N 2 1 267.461 2.323 10 0 CEAEMP C[C@H]1C[NH2+]C[C@H](C)C[NH+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675053 524697908 /nfs/dbraw/zinc/69/79/08/524697908.db2.gz RGHYAVZCXJPTQK-STQMWFEESA-N 2 1 276.380 2.093 10 0 CEAEMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)n1C ZINC000052790415 524757596 /nfs/dbraw/zinc/75/75/96/524757596.db2.gz PCWSSZWJGAFPKB-HNNXBMFYSA-N 2 1 263.429 2.462 10 0 CEAEMP COc1cccc(C[N@H+](C)Cc2ccoc2C[NH3+])c1 ZINC000052372921 525912373 /nfs/dbraw/zinc/91/23/73/525912373.db2.gz VHBYZTMRIKSUET-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP COc1cccc(C[N@@H+](C)Cc2ccoc2C[NH3+])c1 ZINC000052372921 525912378 /nfs/dbraw/zinc/91/23/78/525912378.db2.gz VHBYZTMRIKSUET-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180701 526244953 /nfs/dbraw/zinc/24/49/53/526244953.db2.gz AUGKCSHAXLVDBX-AWEZNQCLSA-N 2 1 266.429 2.410 10 0 CEAEMP Cc1nc(C[N@H+](C)CCC[C@H]2CCC[NH2+]2)cs1 ZINC000052764679 526840137 /nfs/dbraw/zinc/84/01/37/526840137.db2.gz NCOPTURRRIHIEL-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP Cc1nc(C[N@@H+](C)CCC[C@H]2CCC[NH2+]2)cs1 ZINC000052764679 526840140 /nfs/dbraw/zinc/84/01/40/526840140.db2.gz NCOPTURRRIHIEL-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP [NH3+]C[C@@H](c1cc2ccccc2o1)N1CC[NH+](C2CC2)CC1 ZINC000068811526 527205563 /nfs/dbraw/zinc/20/55/63/527205563.db2.gz MCZKJBFNIGPPCV-HNNXBMFYSA-N 2 1 285.391 2.213 10 0 CEAEMP [NH3+]C[C@]1(N2CCC3(CCCCC3)CC2)C[NH+]2CCC1CC2 ZINC000061818846 527242915 /nfs/dbraw/zinc/24/29/15/527242915.db2.gz ZQYVBOVABJHQJY-SFHVURJKSA-N 2 1 291.483 2.456 10 0 CEAEMP [NH3+]Cc1ccnc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000061702136 527261827 /nfs/dbraw/zinc/26/18/27/527261827.db2.gz VBKLMPPGRAPACZ-INIZCTEOSA-N 2 1 283.375 2.194 10 0 CEAEMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309822833 627905962 /nfs/dbraw/zinc/90/59/62/627905962.db2.gz AMPWUNSJLMZQHD-VGAPYMQISA-N 2 1 288.435 2.256 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@@H]12 ZINC000312652275 628360509 /nfs/dbraw/zinc/36/05/09/628360509.db2.gz FXGZAMIRLUZIPB-IAOVAPTHSA-N 2 1 267.376 2.404 10 0 CEAEMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261564032 628939110 /nfs/dbraw/zinc/93/91/10/628939110.db2.gz CEUMRPKTQCSROY-HIFRSBDPSA-N 2 1 262.397 2.255 10 0 CEAEMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262011595 629435975 /nfs/dbraw/zinc/43/59/75/629435975.db2.gz VPMZDPPLVPKRSD-BRWVUGGUSA-N 2 1 274.408 2.242 10 0 CEAEMP C[N@H+](Cc1ccc(Br)cn1)[C@H]1CCC[NH2+]CC1 ZINC000231456196 639854251 /nfs/dbraw/zinc/85/42/51/639854251.db2.gz QTGXBTHIDREIPJ-ZDUSSCGKSA-N 2 1 298.228 2.418 10 0 CEAEMP C[N@@H+](Cc1ccc(Br)cn1)[C@H]1CCC[NH2+]CC1 ZINC000231456196 639854257 /nfs/dbraw/zinc/85/42/57/639854257.db2.gz QTGXBTHIDREIPJ-ZDUSSCGKSA-N 2 1 298.228 2.418 10 0 CEAEMP C[N@@H+]([C@@H]1C[C@@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264545 539212891 /nfs/dbraw/zinc/21/28/91/539212891.db2.gz URQOCWJRGDULTF-ZIAGYGMSSA-N 2 1 252.402 2.147 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947853 365769928 /nfs/dbraw/zinc/76/99/28/365769928.db2.gz SCRXJASFXNLERZ-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947853 365769932 /nfs/dbraw/zinc/76/99/32/365769932.db2.gz SCRXJASFXNLERZ-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947853 365769939 /nfs/dbraw/zinc/76/99/39/365769939.db2.gz SCRXJASFXNLERZ-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@H](CCCC[NH3+])Nc1cc[nH+]cc1Br ZINC000336711770 365776501 /nfs/dbraw/zinc/77/65/01/365776501.db2.gz UQFSPLRUEIPWKI-SECBINFHSA-N 2 1 272.190 2.195 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000311659153 344735344 /nfs/dbraw/zinc/73/53/44/344735344.db2.gz NOPHYFBESMBDDB-VZJVUDMVSA-N 2 1 264.344 2.003 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000311659153 344735345 /nfs/dbraw/zinc/73/53/45/344735345.db2.gz NOPHYFBESMBDDB-VZJVUDMVSA-N 2 1 264.344 2.003 10 0 CEAEMP CCCC[N@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000085300825 179010058 /nfs/dbraw/zinc/01/00/58/179010058.db2.gz SCFNNAHZMXXVDM-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP CCCC[N@@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000085300825 179010061 /nfs/dbraw/zinc/01/00/61/179010061.db2.gz SCFNNAHZMXXVDM-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP C[C@@H]([N@H+](C)C[C@@](O)(C[NH3+])c1ccccc1)C(C)(C)C ZINC000085300710 179010354 /nfs/dbraw/zinc/01/03/54/179010354.db2.gz LESWKKDJTKZQQT-CJNGLKHVSA-N 2 1 264.413 2.199 10 0 CEAEMP C[C@@H]([N@@H+](C)C[C@@](O)(C[NH3+])c1ccccc1)C(C)(C)C ZINC000085300710 179010356 /nfs/dbraw/zinc/01/03/56/179010356.db2.gz LESWKKDJTKZQQT-CJNGLKHVSA-N 2 1 264.413 2.199 10 0 CEAEMP C([C@@H]1CCOC1)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610592 179101018 /nfs/dbraw/zinc/10/10/18/179101018.db2.gz SZOIZTXTTPCGFX-AWEZNQCLSA-N 2 1 252.402 2.021 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085608431 179101919 /nfs/dbraw/zinc/10/19/19/179101919.db2.gz ULBRYAHZIQYDKS-GFCCVEGCSA-N 2 1 282.350 2.275 10 0 CEAEMP CCn1cc(C[N@@H+]2CC3(CCCC3)[NH2+]CC[C@H]2C)cn1 ZINC000085623303 179105056 /nfs/dbraw/zinc/10/50/56/179105056.db2.gz YPOQVJXQNYPBMI-CQSZACIVSA-N 2 1 276.428 2.400 10 0 CEAEMP CCn1cc(C[N@H+]2CC3(CCCC3)[NH2+]CC[C@H]2C)cn1 ZINC000085623303 179105058 /nfs/dbraw/zinc/10/50/58/179105058.db2.gz YPOQVJXQNYPBMI-CQSZACIVSA-N 2 1 276.428 2.400 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1[C@@H]1CCOC1 ZINC000085621002 179105193 /nfs/dbraw/zinc/10/51/93/179105193.db2.gz UVKLIGOQNKZWPG-ZIAGYGMSSA-N 2 1 252.402 2.162 10 0 CEAEMP COCCC[N@H+]1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085620801 179105398 /nfs/dbraw/zinc/10/53/98/179105398.db2.gz NASAVQJDTVRVKR-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP COCCOCC[N@H+]1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085621077 179106170 /nfs/dbraw/zinc/10/61/70/179106170.db2.gz YBOMFIRHFHUUBL-OAHLLOKOSA-N 2 1 284.444 2.036 10 0 CEAEMP CC[NH+]1CCC([NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675103 179112037 /nfs/dbraw/zinc/11/20/37/179112037.db2.gz YWSASQBWGXZFNO-ILXRZTDVSA-N 2 1 266.429 2.264 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146728 179239911 /nfs/dbraw/zinc/23/99/11/179239911.db2.gz SCSPVQFDTUHOGS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146728 179239912 /nfs/dbraw/zinc/23/99/12/179239912.db2.gz SCSPVQFDTUHOGS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146728 179239914 /nfs/dbraw/zinc/23/99/14/179239914.db2.gz SCSPVQFDTUHOGS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146728 179239915 /nfs/dbraw/zinc/23/99/15/179239915.db2.gz SCSPVQFDTUHOGS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146728 179239917 /nfs/dbraw/zinc/23/99/17/179239917.db2.gz SCSPVQFDTUHOGS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CN[C@@H](C)C[N@H+]1CCCC[NH+](C)C(C)C ZINC000086174320 179245803 /nfs/dbraw/zinc/24/58/03/179245803.db2.gz DHLDPFQEXONBIR-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1CN[C@@H](C)C[NH+]1CCCC[N@H+](C)C(C)C ZINC000086174320 179245804 /nfs/dbraw/zinc/24/58/04/179245804.db2.gz DHLDPFQEXONBIR-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1CN[C@@H](C)C[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086174320 179245806 /nfs/dbraw/zinc/24/58/06/179245806.db2.gz DHLDPFQEXONBIR-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C)CN1CCCC[N@H+](C)C(C)C ZINC000086174320 179245808 /nfs/dbraw/zinc/24/58/08/179245808.db2.gz DHLDPFQEXONBIR-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C)CN1CCCC[N@@H+](C)C(C)C ZINC000086174320 179245810 /nfs/dbraw/zinc/24/58/10/179245810.db2.gz DHLDPFQEXONBIR-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223063 179250716 /nfs/dbraw/zinc/25/07/16/179250716.db2.gz NFJAGYOXHOXUAL-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225427 179253033 /nfs/dbraw/zinc/25/30/33/179253033.db2.gz OLQHGCGNAQBOII-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225426 179253702 /nfs/dbraw/zinc/25/37/02/179253702.db2.gz OLQHGCGNAQBOII-GJZGRUSLSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223933 179253764 /nfs/dbraw/zinc/25/37/64/179253764.db2.gz KZPNNPRXHGHIEK-LSDHHAIUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259300 179257975 /nfs/dbraw/zinc/25/79/75/179257975.db2.gz CZUCADLXLOOXHZ-YESZJQIVSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259603 179258084 /nfs/dbraw/zinc/25/80/84/179258084.db2.gz AFYUEYGOKHSYPI-BMFZPTHFSA-N 2 1 279.472 2.322 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259220 179258323 /nfs/dbraw/zinc/25/83/23/179258323.db2.gz MYPFLPHGAWYLNW-OWCLPIDISA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259203 179258632 /nfs/dbraw/zinc/25/86/32/179258632.db2.gz YMFFJVNNIPVYDS-OIISXLGYSA-N 2 1 279.472 2.181 10 0 CEAEMP CCC[C@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259672 179259077 /nfs/dbraw/zinc/25/90/77/179259077.db2.gz SSNWKCDGMDBQNV-UAGQMJEPSA-N 2 1 279.472 2.322 10 0 CEAEMP Fc1ccc(CC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000086285662 179263328 /nfs/dbraw/zinc/26/33/28/179263328.db2.gz VFJVQUJCXQQTGY-INIZCTEOSA-N 2 1 262.372 2.442 10 0 CEAEMP CC[C@H](C)[C@H]1CN([C@@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086289414 179264185 /nfs/dbraw/zinc/26/41/85/179264185.db2.gz JZKGDSOYSJTQFV-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)C[C@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287089 179264382 /nfs/dbraw/zinc/26/43/82/179264382.db2.gz YFWWJWLWBDMBJF-KKUMJFAQSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[C@H]1CN[C@H](C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259019 179256557 /nfs/dbraw/zinc/25/65/57/179256557.db2.gz IYEQVBQQYLOIAR-DLBZAZTESA-N 2 1 279.472 2.037 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086259067 179257292 /nfs/dbraw/zinc/25/72/92/179257292.db2.gz ZEKUCDVUGLFAGP-GOEBONIOSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086259067 179257293 /nfs/dbraw/zinc/25/72/93/179257293.db2.gz ZEKUCDVUGLFAGP-GOEBONIOSA-N 2 1 267.461 2.037 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291556 179266320 /nfs/dbraw/zinc/26/63/20/179266320.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 2 1 279.472 2.326 10 0 CEAEMP COCCCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086291742 179266787 /nfs/dbraw/zinc/26/67/87/179266787.db2.gz UTXXFUNTWXJOHP-KRWDZBQOSA-N 2 1 276.424 2.320 10 0 CEAEMP C[C@]1(C2CC2)C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295874 179267508 /nfs/dbraw/zinc/26/75/08/179267508.db2.gz IBGORZMOGQXKQY-QGZVFWFLSA-N 2 1 288.391 2.379 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295874 179267510 /nfs/dbraw/zinc/26/75/10/179267510.db2.gz IBGORZMOGQXKQY-QGZVFWFLSA-N 2 1 288.391 2.379 10 0 CEAEMP CCC[C@H]1C[N@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296769 179267908 /nfs/dbraw/zinc/26/79/08/179267908.db2.gz FWUZZIFLBWAZMM-ZDUSSCGKSA-N 2 1 267.442 2.458 10 0 CEAEMP CCC[C@H]1C[N@@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296769 179267910 /nfs/dbraw/zinc/26/79/10/179267910.db2.gz FWUZZIFLBWAZMM-ZDUSSCGKSA-N 2 1 267.442 2.458 10 0 CEAEMP Cc1csc(CC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)n1 ZINC000086296797 179268120 /nfs/dbraw/zinc/26/81/20/179268120.db2.gz SQHIRVHYEKZZGH-CYBMUJFWSA-N 2 1 265.426 2.068 10 0 CEAEMP Cc1csc(CC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)n1 ZINC000086296797 179268122 /nfs/dbraw/zinc/26/81/22/179268122.db2.gz SQHIRVHYEKZZGH-CYBMUJFWSA-N 2 1 265.426 2.068 10 0 CEAEMP CCC[C@@H](COC)[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086299574 179268936 /nfs/dbraw/zinc/26/89/36/179268936.db2.gz XJANCCZWQRFXND-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+][C@H]1CCCc2sc(N(C)[C@@H]3CCC[N@@H+](C)C3)nc21 ZINC000086443087 179293472 /nfs/dbraw/zinc/29/34/72/179293472.db2.gz ZEPFILAZKXIPHG-NEPJUHHUSA-N 2 1 294.468 2.270 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)[C@H]1Cc2ccccc21 ZINC000086488959 179302677 /nfs/dbraw/zinc/30/26/77/179302677.db2.gz GHKRXBXVWRKJHS-GOEBONIOSA-N 2 1 253.349 2.134 10 0 CEAEMP C[C@H]1CCC[C@]1(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000086677176 179319623 /nfs/dbraw/zinc/31/96/23/179319623.db2.gz UQYFLFSAVWRVSZ-DOTOQJQBSA-N 2 1 279.472 2.312 10 0 CEAEMP C[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818835 179347976 /nfs/dbraw/zinc/34/79/76/179347976.db2.gz NEKOTMUPEZYDDP-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818835 179347978 /nfs/dbraw/zinc/34/79/78/179347978.db2.gz NEKOTMUPEZYDDP-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818835 179347979 /nfs/dbraw/zinc/34/79/79/179347979.db2.gz NEKOTMUPEZYDDP-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC1(C)CCN([C@@]2(C[NH3+])CCC[N@@H+](C)CC2)CC1 ZINC000086819593 179348654 /nfs/dbraw/zinc/34/86/54/179348654.db2.gz QUIIKUVEWMENRP-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[N@H+]1CCC[C@@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086833511 179349215 /nfs/dbraw/zinc/34/92/15/179349215.db2.gz JHLUUDIQEWEIIA-OAHLLOKOSA-N 2 1 259.397 2.081 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846922 179356172 /nfs/dbraw/zinc/35/61/72/179356172.db2.gz IUAGEFUZBDVQSP-CABCVRRESA-N 2 1 285.501 2.016 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848215 179356737 /nfs/dbraw/zinc/35/67/37/179356737.db2.gz KARYFSUSINTHAQ-OAHLLOKOSA-N 2 1 296.484 2.168 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847125 179357068 /nfs/dbraw/zinc/35/70/68/179357068.db2.gz RJFGHBCDVSBMJR-KRWDZBQOSA-N 2 1 290.455 2.105 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCC[C@H](OCC)C2)CC1 ZINC000086848059 179357325 /nfs/dbraw/zinc/35/73/25/179357325.db2.gz ASJRPOKMUDREDW-IRXDYDNUSA-N 2 1 297.487 2.081 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NCC[NH+](CC)CC)CC1 ZINC000086835491 179350342 /nfs/dbraw/zinc/35/03/42/179350342.db2.gz SBUWSRCMFBRLNO-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837644 179351335 /nfs/dbraw/zinc/35/13/35/179351335.db2.gz SMHMMYPNOWKXBV-INIZCTEOSA-N 2 1 289.423 2.140 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837644 179351338 /nfs/dbraw/zinc/35/13/38/179351338.db2.gz SMHMMYPNOWKXBV-INIZCTEOSA-N 2 1 289.423 2.140 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836984 179351685 /nfs/dbraw/zinc/35/16/85/179351685.db2.gz AEXAANOFRNLABO-KKUMJFAQSA-N 2 1 254.418 2.406 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840471 179353495 /nfs/dbraw/zinc/35/34/95/179353495.db2.gz OZFLDHDCMMMJCJ-LSDHHAIUSA-N 2 1 264.417 2.124 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846444 179355183 /nfs/dbraw/zinc/35/51/83/179355183.db2.gz LLRIEALQGBKQCV-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC1(C)CCC[C@](C[NH3+])([N@H+]2CCCOCC2)CC1 ZINC000086913261 179367036 /nfs/dbraw/zinc/36/70/36/179367036.db2.gz QWVFTYWJIZSSTO-HNNXBMFYSA-N 2 1 254.418 2.397 10 0 CEAEMP COc1ccc([C@H]2[C@H](C[NH3+])CC[N@@H+]2C2CC2)cc1F ZINC000086994949 179376293 /nfs/dbraw/zinc/37/62/93/179376293.db2.gz POAADTGAXKWGIQ-NHYWBVRUSA-N 2 1 264.344 2.318 10 0 CEAEMP COc1ccc([C@H]2[C@H](C[NH3+])CC[N@H+]2C2CC2)cc1F ZINC000086994949 179376295 /nfs/dbraw/zinc/37/62/95/179376295.db2.gz POAADTGAXKWGIQ-NHYWBVRUSA-N 2 1 264.344 2.318 10 0 CEAEMP CCCSC[C@@H](Cc1c[nH+]ccc1N)[NH2+]CC ZINC000087107755 179395525 /nfs/dbraw/zinc/39/55/25/179395525.db2.gz GFTMJFWOYORPGZ-GFCCVEGCSA-N 2 1 253.415 2.328 10 0 CEAEMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753360 233180901 /nfs/dbraw/zinc/18/09/01/233180901.db2.gz WGVJDUNCFSRJLO-CGTJXYLNSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753360 233180904 /nfs/dbraw/zinc/18/09/04/233180904.db2.gz WGVJDUNCFSRJLO-CGTJXYLNSA-N 2 1 287.451 2.239 10 0 CEAEMP CCCC[N@@H+](C[C@H]1COC[C@@H]1[NH2+]CCC)C1CC1 ZINC000090566429 180005396 /nfs/dbraw/zinc/00/53/96/180005396.db2.gz WBXLSOAEWYEGLK-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1cccc(OC)c1 ZINC000090566332 180005705 /nfs/dbraw/zinc/00/57/05/180005705.db2.gz TUTOQDSEZLGBFF-DOTOQJQBSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1cccc(OC)c1 ZINC000090566332 180005708 /nfs/dbraw/zinc/00/57/08/180005708.db2.gz TUTOQDSEZLGBFF-DOTOQJQBSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+](CC(C)C)C(C)C ZINC000090566553 180006789 /nfs/dbraw/zinc/00/67/89/180006789.db2.gz DVTZMSGUCOIBGH-GJZGRUSLSA-N 2 1 256.434 2.367 10 0 CEAEMP C(C[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694363 180025789 /nfs/dbraw/zinc/02/57/89/180025789.db2.gz AOQGULRRAAPJAQ-HZPDHXFCSA-N 2 1 266.429 2.410 10 0 CEAEMP FC(F)(F)COCC[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694587 180026396 /nfs/dbraw/zinc/02/63/96/180026396.db2.gz PPOOGNOSTVSLFG-LBPRGKRZSA-N 2 1 280.334 2.029 10 0 CEAEMP CC1(C)C[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896187 180056705 /nfs/dbraw/zinc/05/67/05/180056705.db2.gz GHQXNRKCXHZDSH-AWEZNQCLSA-N 2 1 278.371 2.203 10 0 CEAEMP CC1(C)C[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896187 180056708 /nfs/dbraw/zinc/05/67/08/180056708.db2.gz GHQXNRKCXHZDSH-AWEZNQCLSA-N 2 1 278.371 2.203 10 0 CEAEMP CC(C)[N@H+]1CCO[C@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000091004115 180084006 /nfs/dbraw/zinc/08/40/06/180084006.db2.gz TWFRVFWKHBQQGR-MRXNPFEDSA-N 2 1 293.455 2.485 10 0 CEAEMP CC(C)[C@H]1CCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314290 180133738 /nfs/dbraw/zinc/13/37/38/180133738.db2.gz MKHAYGXJIZIFHW-LSDHHAIUSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000091432948 180153630 /nfs/dbraw/zinc/15/36/30/180153630.db2.gz GSCIKABSFLEOMM-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091432948 180153631 /nfs/dbraw/zinc/15/36/31/180153631.db2.gz GSCIKABSFLEOMM-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490576 180170078 /nfs/dbraw/zinc/17/00/78/180170078.db2.gz KTDKLRVGNSNMMB-JYVUQVBGSA-N 2 1 268.445 2.103 10 0 CEAEMP C[N@H+](CC[C@@H]([NH3+])c1ccccc1Cl)CC1CC(O)C1 ZINC000091499045 180173814 /nfs/dbraw/zinc/17/38/14/180173814.db2.gz AZHCELIFEJZIJP-KOHJWAIASA-N 2 1 282.815 2.433 10 0 CEAEMP C[N@@H+](CC[C@@H]([NH3+])c1ccccc1Cl)CC1CC(O)C1 ZINC000091499045 180173815 /nfs/dbraw/zinc/17/38/15/180173815.db2.gz AZHCELIFEJZIJP-KOHJWAIASA-N 2 1 282.815 2.433 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CC[N@H+](C)CC2CC(O)C2)cc1 ZINC000091499029 180174146 /nfs/dbraw/zinc/17/41/46/180174146.db2.gz ZPOQSUAERJLEGO-BCLQGDPASA-N 2 1 262.397 2.088 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000091405059 180147354 /nfs/dbraw/zinc/14/73/54/180147354.db2.gz MKDRXVPXALCJQN-AWEZNQCLSA-N 3 1 269.477 2.284 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cc(C)nn1C)[C@](C)(CC)[NH+](C)C ZINC000091572050 180196288 /nfs/dbraw/zinc/19/62/88/180196288.db2.gz FTWQNKQJQSYQHM-HOTGVXAUSA-N 2 1 280.460 2.370 10 0 CEAEMP CCN(CC)[C@](C)(CC)[C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000091599126 180202518 /nfs/dbraw/zinc/20/25/18/180202518.db2.gz ATAHKMMZECLDBV-GDBMZVCRSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[C@@](C)([C@H]([NH3+])Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609297 180205337 /nfs/dbraw/zinc/20/53/37/180205337.db2.gz OIEWWWQZPLNBCI-CVEARBPZSA-N 2 1 278.444 2.253 10 0 CEAEMP C[NH2+][C@H](CC[C@H]1CCCO1)C(C)(C)[NH+]1CCCC1 ZINC000091534553 180181596 /nfs/dbraw/zinc/18/15/96/180181596.db2.gz BCACUXIIJDDZTR-ZIAGYGMSSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)[NH+]1CCCC1 ZINC000091536187 180181944 /nfs/dbraw/zinc/18/19/44/180181944.db2.gz XDIHXRRPKJYJKG-HNNXBMFYSA-N 2 1 278.444 2.205 10 0 CEAEMP [NH3+][C@H](c1cccc2cnccc21)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720688 180234905 /nfs/dbraw/zinc/23/49/05/180234905.db2.gz RMHSRVXCZRPDHM-KBRIMQKVSA-N 2 1 283.375 2.098 10 0 CEAEMP [NH3+][C@H](Cc1ccccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720640 180235214 /nfs/dbraw/zinc/23/52/14/180235214.db2.gz HLVNLKODHUAOMH-BPLDGKMQSA-N 2 1 280.799 2.073 10 0 CEAEMP [NH3+][C@@H]1CCCc2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722451 180239883 /nfs/dbraw/zinc/23/98/83/180239883.db2.gz WLGYZKBEYYDTNR-CKYFFXLPSA-N 2 1 279.409 2.015 10 0 CEAEMP CC[NH2+][C@H](CCc1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722011 180240117 /nfs/dbraw/zinc/24/01/17/180240117.db2.gz QKEBSKRPJARDBM-KZNAEPCWSA-N 2 1 288.435 2.461 10 0 CEAEMP CC[NH2+][C@H](CCc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722011 180240119 /nfs/dbraw/zinc/24/01/19/180240119.db2.gz QKEBSKRPJARDBM-KZNAEPCWSA-N 2 1 288.435 2.461 10 0 CEAEMP CCC[NH2+][C@H](CC[C@@H]1CCCO1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722153 180240244 /nfs/dbraw/zinc/24/02/44/180240244.db2.gz JFBLPOWJMQJKIY-TWMKSMIVSA-N 2 1 296.455 2.177 10 0 CEAEMP CCC[NH2+][C@H](CC[C@@H]1CCCO1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722153 180240247 /nfs/dbraw/zinc/24/02/47/180240247.db2.gz JFBLPOWJMQJKIY-TWMKSMIVSA-N 2 1 296.455 2.177 10 0 CEAEMP CCC[N@@H+](Cc1cc(C)no1)C1CCC([NH3+])CC1 ZINC000091852348 180272850 /nfs/dbraw/zinc/27/28/50/180272850.db2.gz PBWFWQVTMKNPCJ-UHFFFAOYSA-N 2 1 251.374 2.465 10 0 CEAEMP CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C1CCC([NH3+])CC1 ZINC000091850906 180271796 /nfs/dbraw/zinc/27/17/96/180271796.db2.gz SNCCLQLMEKSOPL-HSBZDZAISA-N 2 1 283.460 2.272 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000091870542 180277040 /nfs/dbraw/zinc/27/70/40/180277040.db2.gz DXSYUXNNDPWIMD-CVSAEHQPSA-N 2 1 254.418 2.406 10 0 CEAEMP CCCCNC(=O)[C@H](C)[N@@H+](C)C1CCC([NH2+]CC)CC1 ZINC000091870349 180277252 /nfs/dbraw/zinc/27/72/52/180277252.db2.gz BKUWPWHMRPWAOJ-NFOMZHRRSA-N 2 1 283.460 2.144 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CCC(=O)NC2CCCCC2)CC1 ZINC000091872695 180277995 /nfs/dbraw/zinc/27/79/95/180277995.db2.gz FZIQJEJLCYFUGM-UHFFFAOYSA-N 2 1 295.471 2.288 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000091873076 180278277 /nfs/dbraw/zinc/27/82/77/180278277.db2.gz WNXUTSMGUSBFKJ-UHFFFAOYSA-N 2 1 289.423 2.112 10 0 CEAEMP C[C@H]1C[N@@H+](C[C@]2(C[NH2+]C3CC3)CCCOC2)C[C@H]1C ZINC000092088414 180321475 /nfs/dbraw/zinc/32/14/75/180321475.db2.gz JZDVTFBWRPEQPA-IJEWVQPXSA-N 2 1 266.429 2.123 10 0 CEAEMP C[C@H]1C[N@H+](CC[NH2+]CCc2ccsc2)C[C@H]1C ZINC000092089559 180321616 /nfs/dbraw/zinc/32/16/16/180321616.db2.gz XQLNEJLOGNSTOC-BETUJISGSA-N 2 1 252.427 2.468 10 0 CEAEMP C[C@H]1C[N@@H+](CC[NH2+]CCc2ccsc2)C[C@H]1C ZINC000092089559 180321619 /nfs/dbraw/zinc/32/16/19/180321619.db2.gz XQLNEJLOGNSTOC-BETUJISGSA-N 2 1 252.427 2.468 10 0 CEAEMP CC[C@@H]1C[N@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307401 180360522 /nfs/dbraw/zinc/36/05/22/180360522.db2.gz ICIJICXUKRXHAW-ZIAGYGMSSA-N 2 1 260.381 2.237 10 0 CEAEMP CC[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307401 180360525 /nfs/dbraw/zinc/36/05/25/180360525.db2.gz ICIJICXUKRXHAW-ZIAGYGMSSA-N 2 1 260.381 2.237 10 0 CEAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCN(Cc2cccc(C)n2)CC1 ZINC000092427842 180382993 /nfs/dbraw/zinc/38/29/93/180382993.db2.gz USBGUUFIGALCNS-KRWDZBQOSA-N 2 1 290.455 2.025 10 0 CEAEMP CC[C@@H](CC[NH3+])N1CCC[N@H+](Cc2cccc(C)n2)CC1 ZINC000092427842 180382995 /nfs/dbraw/zinc/38/29/95/180382995.db2.gz USBGUUFIGALCNS-KRWDZBQOSA-N 2 1 290.455 2.025 10 0 CEAEMP CC[C@@H](CC[NH3+])N1CCC[N@@H+](Cc2cccc(C)n2)CC1 ZINC000092427842 180382999 /nfs/dbraw/zinc/38/29/99/180382999.db2.gz USBGUUFIGALCNS-KRWDZBQOSA-N 2 1 290.455 2.025 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CCCC1)[NH2+]C ZINC000110840993 186328208 /nfs/dbraw/zinc/32/82/08/186328208.db2.gz LFRNIUCJEXTWKR-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)CC1CCCC1)[NH2+]C ZINC000110840993 186328210 /nfs/dbraw/zinc/32/82/10/186328210.db2.gz LFRNIUCJEXTWKR-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704891 186314102 /nfs/dbraw/zinc/31/41/02/186314102.db2.gz AAGLLTQWMCKJQV-OAHLLOKOSA-N 2 1 261.413 2.021 10 0 CEAEMP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110704800 186314355 /nfs/dbraw/zinc/31/43/55/186314355.db2.gz XVDGCGFPXWUZNT-TZMCWYRMSA-N 2 1 265.401 2.002 10 0 CEAEMP C[N@H+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1(C)C ZINC000110716298 186315502 /nfs/dbraw/zinc/31/55/02/186315502.db2.gz YCDMOZKYADAVFD-CVEARBPZSA-N 2 1 273.424 2.027 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2C)C[C@@H]1C ZINC000110709641 186315809 /nfs/dbraw/zinc/31/58/09/186315809.db2.gz NYQJLOIRMUKPRC-RDJZCZTQSA-N 2 1 275.440 2.329 10 0 CEAEMP CCOc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110712186 186316434 /nfs/dbraw/zinc/31/64/34/186316434.db2.gz QOLBPZZCDPMWCX-INIZCTEOSA-N 2 1 291.439 2.111 10 0 CEAEMP C[C@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC[N@H+]1C ZINC000110751129 186319841 /nfs/dbraw/zinc/31/98/41/186319841.db2.gz NCQJPIMUXUHREL-ZDUSSCGKSA-N 2 1 279.428 2.304 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110751068 186320785 /nfs/dbraw/zinc/32/07/85/186320785.db2.gz BOLPNUCQPKGUOZ-GFCCVEGCSA-N 2 1 273.380 2.027 10 0 CEAEMP C[C@@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@@H+]1C ZINC000110751068 186320787 /nfs/dbraw/zinc/32/07/87/186320787.db2.gz BOLPNUCQPKGUOZ-GFCCVEGCSA-N 2 1 273.380 2.027 10 0 CEAEMP C[C@@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@H+]1C ZINC000110751068 186320788 /nfs/dbraw/zinc/32/07/88/186320788.db2.gz BOLPNUCQPKGUOZ-GFCCVEGCSA-N 2 1 273.380 2.027 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC000110757511 186320930 /nfs/dbraw/zinc/32/09/30/186320930.db2.gz GIFOHONEDZZHHE-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747001 186321722 /nfs/dbraw/zinc/32/17/22/186321722.db2.gz JBEMBINIQDSQCH-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747001 186321724 /nfs/dbraw/zinc/32/17/24/186321724.db2.gz JBEMBINIQDSQCH-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747001 186321726 /nfs/dbraw/zinc/32/17/26/186321726.db2.gz JBEMBINIQDSQCH-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[C@]1(CN2CC[N@@H+](C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763025 186323288 /nfs/dbraw/zinc/32/32/88/186323288.db2.gz CLWXMBSBLDRPJB-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[C@]1(C[N@@H+]2CCN(C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763025 186323289 /nfs/dbraw/zinc/32/32/89/186323289.db2.gz CLWXMBSBLDRPJB-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[C@]1(C[N@H+]2CCN(C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763025 186323291 /nfs/dbraw/zinc/32/32/91/186323291.db2.gz CLWXMBSBLDRPJB-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@H]([NH3+])c1ccc(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110770461 186323795 /nfs/dbraw/zinc/32/37/95/186323795.db2.gz PGJFDFHRTWVKSJ-LBPRGKRZSA-N 2 1 290.411 2.264 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111328760 186399357 /nfs/dbraw/zinc/39/93/57/186399357.db2.gz XZRQWJYOKRBVQA-HNNXBMFYSA-N 2 1 266.360 2.013 10 0 CEAEMP CC[C@@H]1CCCC[C@@H]1[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000111743854 186452854 /nfs/dbraw/zinc/45/28/54/186452854.db2.gz SDNSZMYBLMOGFG-CVEARBPZSA-N 2 1 267.461 2.312 10 0 CEAEMP CO[C@@H]1C[N@H+](Cc2c(C)cccc2C)[C@](C)(C[NH3+])C1 ZINC000630361690 351712134 /nfs/dbraw/zinc/71/21/34/351712134.db2.gz VEWBPDCSVNPKHN-HOCLYGCPSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@@H]1C[N@@H+](Cc2c(C)cccc2C)[C@](C)(C[NH3+])C1 ZINC000630361690 351712139 /nfs/dbraw/zinc/71/21/39/351712139.db2.gz VEWBPDCSVNPKHN-HOCLYGCPSA-N 2 1 262.397 2.242 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000631839227 367579513 /nfs/dbraw/zinc/57/95/13/367579513.db2.gz CCXJLSBKJLWIIE-GXTWGEPZSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000631839227 367579515 /nfs/dbraw/zinc/57/95/15/367579515.db2.gz CCXJLSBKJLWIIE-GXTWGEPZSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000631838273 367576176 /nfs/dbraw/zinc/57/61/76/367576176.db2.gz LJHIRDQQAOKYMX-MNOVXSKESA-N 2 1 261.394 2.323 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000631838273 367576178 /nfs/dbraw/zinc/57/61/78/367576178.db2.gz LJHIRDQQAOKYMX-MNOVXSKESA-N 2 1 261.394 2.323 10 0 CEAEMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982161 /nfs/dbraw/zinc/98/21/61/370982161.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 3 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982171 /nfs/dbraw/zinc/98/21/71/370982171.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190478129 369628043 /nfs/dbraw/zinc/62/80/43/369628043.db2.gz NAIOTRMRDAVQKF-INIZCTEOSA-N 2 1 261.413 2.491 10 0 CEAEMP Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000231454774 370479431 /nfs/dbraw/zinc/47/94/31/370479431.db2.gz YCRPWVNNVIGNRV-GFCCVEGCSA-N 2 1 253.415 2.334 10 0 CEAEMP Cc1nc(C)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000231454774 370479437 /nfs/dbraw/zinc/47/94/37/370479437.db2.gz YCRPWVNNVIGNRV-GFCCVEGCSA-N 2 1 253.415 2.334 10 0 CEAEMP COc1ccccc1OCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670707 370487619 /nfs/dbraw/zinc/48/76/19/370487619.db2.gz KDQUHZCKHNQIPI-CQSZACIVSA-N 2 1 278.396 2.148 10 0 CEAEMP COC[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000247707402 371137789 /nfs/dbraw/zinc/13/77/89/371137789.db2.gz ZHBULTBXOIHZPV-ZIAGYGMSSA-N 2 1 263.385 2.159 10 0 CEAEMP COC[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000247707402 371137793 /nfs/dbraw/zinc/13/77/93/371137793.db2.gz ZHBULTBXOIHZPV-ZIAGYGMSSA-N 2 1 263.385 2.159 10 0 CEAEMP COC[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000247707402 371137796 /nfs/dbraw/zinc/13/77/96/371137796.db2.gz ZHBULTBXOIHZPV-ZIAGYGMSSA-N 2 1 263.385 2.159 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570535 371338639 /nfs/dbraw/zinc/33/86/39/371338639.db2.gz OEAPCVKAMAFOJO-ARFHVFGLSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570535 371338644 /nfs/dbraw/zinc/33/86/44/371338644.db2.gz OEAPCVKAMAFOJO-ARFHVFGLSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570535 371338652 /nfs/dbraw/zinc/33/86/52/371338652.db2.gz OEAPCVKAMAFOJO-ARFHVFGLSA-N 2 1 294.464 2.240 10 0 CEAEMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261992521 371791691 /nfs/dbraw/zinc/79/16/91/371791691.db2.gz SNWONGOSOPJNCS-HNNXBMFYSA-N 2 1 276.428 2.112 10 0 CEAEMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261992521 371791701 /nfs/dbraw/zinc/79/17/01/371791701.db2.gz SNWONGOSOPJNCS-HNNXBMFYSA-N 2 1 276.428 2.112 10 0 CEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000641818043 372764442 /nfs/dbraw/zinc/76/44/42/372764442.db2.gz CEWVLRWYLLQUJM-HZSPNIEDSA-N 2 1 252.402 2.005 10 0 CEAEMP CCc1nc(N(C)CC[C@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000310641407 376630648 /nfs/dbraw/zinc/63/06/48/376630648.db2.gz CINTVSXYFVJJDT-LBPRGKRZSA-N 2 1 250.390 2.157 10 0 CEAEMP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]Cc1cccc2c1OCO2 ZINC000093486463 184683040 /nfs/dbraw/zinc/68/30/40/184683040.db2.gz LKGCTUXIQQAQCE-OCCSQVGLSA-N 2 1 276.380 2.426 10 0 CEAEMP CC[N@H+](CC(=O)Nc1cccc(F)c1)CC1CC[NH2+]CC1 ZINC000094025088 184750753 /nfs/dbraw/zinc/75/07/53/184750753.db2.gz IHIRQLWABCWQOH-UHFFFAOYSA-N 2 1 293.386 2.086 10 0 CEAEMP C[N@@H+](CCOCC1CC1)[C@@H](CC[NH3+])c1ccccc1 ZINC000094984090 184909967 /nfs/dbraw/zinc/90/99/67/184909967.db2.gz CBPIAZNUTIASJK-INIZCTEOSA-N 2 1 262.397 2.435 10 0 CEAEMP CCc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc(C)[nH+]1 ZINC000088760569 135057071 /nfs/dbraw/zinc/05/70/71/135057071.db2.gz UDQDVRUMPLCTFN-HIFRSBDPSA-N 2 1 274.412 2.316 10 0 CEAEMP C[C@@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957723 135078292 /nfs/dbraw/zinc/07/82/92/135078292.db2.gz LDDFOMIKJXNFFY-UONOGXRCSA-N 2 1 293.842 2.460 10 0 CEAEMP C[C@@H]([NH3+])c1ccccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439684 135087999 /nfs/dbraw/zinc/08/79/99/135087999.db2.gz UBQRHBAILNJCCB-ZIAGYGMSSA-N 2 1 259.397 2.381 10 0 CEAEMP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2ccccc2[nH+]1 ZINC000301635529 394463564 /nfs/dbraw/zinc/46/35/64/394463564.db2.gz DXRZOIZSIGBWSC-SJORKVTESA-N 2 1 283.375 2.062 10 0 CEAEMP C[C@@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000306778923 394518088 /nfs/dbraw/zinc/51/80/88/394518088.db2.gz SMQPPMIXJOBFIE-YFHUEUNASA-N 2 1 287.451 2.332 10 0 CEAEMP CC(C)[NH2+]CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381047267 395171256 /nfs/dbraw/zinc/17/12/56/395171256.db2.gz FZSJEQROZTYOSV-HNNXBMFYSA-N 2 1 291.439 2.011 10 0 CEAEMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414588 395251837 /nfs/dbraw/zinc/25/18/37/395251837.db2.gz VADMUNJMIUQYEA-MXSMSXNCSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414588 395251838 /nfs/dbraw/zinc/25/18/38/395251838.db2.gz VADMUNJMIUQYEA-MXSMSXNCSA-N 2 1 287.451 2.237 10 0 CEAEMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396637471 395217719 /nfs/dbraw/zinc/21/77/19/395217719.db2.gz NZXBMLBZYOCYHY-GUTXKFCHSA-N 2 1 262.397 2.356 10 0 CEAEMP C[C@H]1CCN(c2cc[nH+]cc2Br)C[C@@H]1C[NH3+] ZINC000167684804 162359640 /nfs/dbraw/zinc/35/96/40/162359640.db2.gz SZPUPLIZUZPEBH-UWVGGRQHSA-N 2 1 284.201 2.265 10 0 CEAEMP CC(C)[NH+]1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000020137676 171025105 /nfs/dbraw/zinc/02/51/05/171025105.db2.gz GHRQUKZGYMCVQU-HNNXBMFYSA-N 2 1 290.407 2.289 10 0 CEAEMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000040667117 174366311 /nfs/dbraw/zinc/36/63/11/174366311.db2.gz UIGPRUDLOKWPHC-TZMCWYRMSA-N 2 1 276.380 2.235 10 0 CEAEMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@@H+](C)C1 ZINC000040667117 174366313 /nfs/dbraw/zinc/36/63/13/174366313.db2.gz UIGPRUDLOKWPHC-TZMCWYRMSA-N 2 1 276.380 2.235 10 0 CEAEMP C[C@H]1CCC[C@@](C[NH2+][C@@H]2CN3CCC2CC3)([NH+](C)C)C1 ZINC000040668651 174367467 /nfs/dbraw/zinc/36/74/67/174367467.db2.gz FFAJFPSYCMKZQP-USXIJHARSA-N 2 1 279.472 2.181 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000309743092 414855512 /nfs/dbraw/zinc/85/55/12/414855512.db2.gz SPWOPCYVMWSNLU-QGZVFWFLSA-N 3 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000309743092 414855521 /nfs/dbraw/zinc/85/55/21/414855521.db2.gz SPWOPCYVMWSNLU-QGZVFWFLSA-N 3 1 287.451 2.240 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](CC)CC1 ZINC000043363781 175024235 /nfs/dbraw/zinc/02/42/35/175024235.db2.gz URGKFIYPMPKOBH-HIFRSBDPSA-N 2 1 265.401 2.004 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](CCCOC)CCOC ZINC000043971102 175131726 /nfs/dbraw/zinc/13/17/26/175131726.db2.gz TXAWJHPGWJBNPZ-JKSUJKDBSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CCCOC)CCOC ZINC000043971102 175131727 /nfs/dbraw/zinc/13/17/27/175131727.db2.gz TXAWJHPGWJBNPZ-JKSUJKDBSA-N 2 1 286.460 2.282 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000044808429 175257199 /nfs/dbraw/zinc/25/71/99/175257199.db2.gz AGSUPGFOOBWJBA-CQSZACIVSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[C@H]1CSC(NC[C@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000045136107 175313350 /nfs/dbraw/zinc/31/33/50/175313350.db2.gz FSDHSVFNMKMBTR-NEPJUHHUSA-N 2 1 255.431 2.188 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375923 175366709 /nfs/dbraw/zinc/36/67/09/175366709.db2.gz DTSPFIYUBPKMQY-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381823 175369605 /nfs/dbraw/zinc/36/96/05/175369605.db2.gz MMRRVBLDLIKNTK-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381823 175369606 /nfs/dbraw/zinc/36/96/06/175369606.db2.gz MMRRVBLDLIKNTK-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)CC(C)C ZINC000045380829 175369691 /nfs/dbraw/zinc/36/96/91/175369691.db2.gz BLEDUQVYGBKOBD-CQSZACIVSA-N 2 1 258.406 2.025 10 0 CEAEMP CCC[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045382159 175370404 /nfs/dbraw/zinc/37/04/04/175370404.db2.gz GQCGUCSAAIQWHW-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045382159 175370406 /nfs/dbraw/zinc/37/04/06/175370406.db2.gz GQCGUCSAAIQWHW-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](CC)C(C)C ZINC000045383622 175370791 /nfs/dbraw/zinc/37/07/91/175370791.db2.gz NYTYTDAGXIFASR-AWEZNQCLSA-N 2 1 258.406 2.168 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385528 175372020 /nfs/dbraw/zinc/37/20/20/175372020.db2.gz DSHJPGYGFZLTLV-DZGCQCFKSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045387421 175373296 /nfs/dbraw/zinc/37/32/96/175373296.db2.gz OQPZPAIEBULYKS-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045387421 175373298 /nfs/dbraw/zinc/37/32/98/175373298.db2.gz OQPZPAIEBULYKS-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393055 175375568 /nfs/dbraw/zinc/37/55/68/175375568.db2.gz ZIODZYQQAJIGKP-BBRMVZONSA-N 2 1 284.444 2.427 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393055 175375569 /nfs/dbraw/zinc/37/55/69/175375569.db2.gz ZIODZYQQAJIGKP-BBRMVZONSA-N 2 1 284.444 2.427 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392137 175375592 /nfs/dbraw/zinc/37/55/92/175375592.db2.gz JOSDRYWWPUOITL-DZGCQCFKSA-N 2 1 272.433 2.284 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392137 175375593 /nfs/dbraw/zinc/37/55/93/175375593.db2.gz JOSDRYWWPUOITL-DZGCQCFKSA-N 2 1 272.433 2.284 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045392906 175375872 /nfs/dbraw/zinc/37/58/72/175375872.db2.gz MXUHGVSZWVHJDI-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@H]1CCCN(CCC[N@H+]2CCCC[C@@H]2C)C1=O ZINC000071037914 176026649 /nfs/dbraw/zinc/02/66/49/176026649.db2.gz FQCQHGLOITZQDP-HOTGVXAUSA-N 2 1 295.471 2.242 10 0 CEAEMP [NH3+]CCC[N@H+](C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071044751 176029774 /nfs/dbraw/zinc/02/97/74/176029774.db2.gz DALLTXMRSLJKBO-INIZCTEOSA-N 2 1 260.381 2.114 10 0 CEAEMP [NH3+]CCC[N@@H+](C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071044751 176029775 /nfs/dbraw/zinc/02/97/75/176029775.db2.gz DALLTXMRSLJKBO-INIZCTEOSA-N 2 1 260.381 2.114 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+](CCCOC)CCOC)C1 ZINC000071124063 176034964 /nfs/dbraw/zinc/03/49/64/176034964.db2.gz TUXQLLNNEBOSBD-JKSUJKDBSA-N 2 1 286.460 2.269 10 0 CEAEMP CC[C@H](c1ccc(C)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148621 176044368 /nfs/dbraw/zinc/04/43/68/176044368.db2.gz VIWMLIVZOABWOC-QGZVFWFLSA-N 2 1 275.440 2.283 10 0 CEAEMP CC[C@@H]1CCC[C@H]([N@@H+](CCOC)CCC(N)=[NH2+])C1 ZINC000071149874 176045002 /nfs/dbraw/zinc/04/50/02/176045002.db2.gz KCLXJUHSDJZLQS-OLZOCXBDSA-N 2 1 255.406 2.230 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071187976 176061926 /nfs/dbraw/zinc/06/19/26/176061926.db2.gz AQSSEPRIXDAHRB-HZSPNIEDSA-N 2 1 255.450 2.022 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188116 176063142 /nfs/dbraw/zinc/06/31/42/176063142.db2.gz QQXUANWICXTBTG-COXVUDFISA-N 2 1 293.430 2.488 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188716 176063731 /nfs/dbraw/zinc/06/37/31/176063731.db2.gz DSIPWUJWJTTXJP-ZMSDIMECSA-N 2 1 275.440 2.267 10 0 CEAEMP CCC[NH2+][C@H](CCC)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188929 176063973 /nfs/dbraw/zinc/06/39/73/176063973.db2.gz OTWGNIQPQOFXFI-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@@H](CC)[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189034 176064273 /nfs/dbraw/zinc/06/42/73/176064273.db2.gz XJVYHMZVWPYBHQ-ZNMIVQPWSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[C@H]1CC[C@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190580 176067031 /nfs/dbraw/zinc/06/70/31/176067031.db2.gz DBCAKVYFWDOSGU-JJXSEGSLSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190580 176067032 /nfs/dbraw/zinc/06/70/32/176067032.db2.gz DBCAKVYFWDOSGU-JJXSEGSLSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190580 176067034 /nfs/dbraw/zinc/06/70/34/176067034.db2.gz DBCAKVYFWDOSGU-JJXSEGSLSA-N 2 1 268.445 2.200 10 0 CEAEMP CCCNc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cn1 ZINC000071191127 176068348 /nfs/dbraw/zinc/06/83/48/176068348.db2.gz PPZVRMHRNHMBOG-HNNXBMFYSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cn1 ZINC000071191127 176068349 /nfs/dbraw/zinc/06/83/49/176068349.db2.gz PPZVRMHRNHMBOG-HNNXBMFYSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000071191127 176068350 /nfs/dbraw/zinc/06/83/50/176068350.db2.gz PPZVRMHRNHMBOG-HNNXBMFYSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000071191127 176068351 /nfs/dbraw/zinc/06/83/51/176068351.db2.gz PPZVRMHRNHMBOG-HNNXBMFYSA-N 2 1 276.428 2.287 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191320 176069324 /nfs/dbraw/zinc/06/93/24/176069324.db2.gz INVKYCJNFPLHOU-QBPKDAKJSA-N 2 1 281.488 2.284 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1cccc(C[NH2+]C(C)(C)C)n1 ZINC000071191783 176071582 /nfs/dbraw/zinc/07/15/82/176071582.db2.gz VMXLTDKMZCUQPE-AWEZNQCLSA-N 2 1 290.455 2.358 10 0 CEAEMP CCC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000071191946 176072090 /nfs/dbraw/zinc/07/20/90/176072090.db2.gz VTQIQELNGKPSOZ-OAHLLOKOSA-N 2 1 293.455 2.471 10 0 CEAEMP CCC[NH2+]Cc1coc(CN(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191827 176072867 /nfs/dbraw/zinc/07/28/67/176072867.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 2 1 279.428 2.163 10 0 CEAEMP Cc1cccc(NCC[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071192430 176073097 /nfs/dbraw/zinc/07/30/97/176073097.db2.gz FHLSYMRPQFLMOE-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1cccc(NCC[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071192430 176073098 /nfs/dbraw/zinc/07/30/98/176073098.db2.gz FHLSYMRPQFLMOE-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1cccc(NCC[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071192430 176073099 /nfs/dbraw/zinc/07/30/99/176073099.db2.gz FHLSYMRPQFLMOE-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP COCC[N@H+](CCC[NH3+])Cc1ccc2ccccc2n1 ZINC000071224730 176089105 /nfs/dbraw/zinc/08/91/05/176089105.db2.gz SPCXBYQGCYMLRU-UHFFFAOYSA-N 2 1 273.380 2.032 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1ccc2ccccc2n1 ZINC000071224730 176089106 /nfs/dbraw/zinc/08/91/06/176089106.db2.gz SPCXBYQGCYMLRU-UHFFFAOYSA-N 2 1 273.380 2.032 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@@H+](CCO)C1CCCC1 ZINC000071263472 176097021 /nfs/dbraw/zinc/09/70/21/176097021.db2.gz JXTGRLPQDJHXBZ-UHFFFAOYSA-N 2 1 266.360 2.021 10 0 CEAEMP [NH2+]=C1c2cc(F)ccc2CN1[C@H]1CC[N@H+](C2CC2)C1 ZINC000071269059 176102852 /nfs/dbraw/zinc/10/28/52/176102852.db2.gz USVHJYDSJBBNMA-ZDUSSCGKSA-N 2 1 259.328 2.203 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071290059 176110375 /nfs/dbraw/zinc/11/03/75/176110375.db2.gz CTECDLGAXAIACL-MRXNPFEDSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071290059 176110377 /nfs/dbraw/zinc/11/03/77/176110377.db2.gz CTECDLGAXAIACL-MRXNPFEDSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071290059 176110379 /nfs/dbraw/zinc/11/03/79/176110379.db2.gz CTECDLGAXAIACL-MRXNPFEDSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+](C)C[C@H]1CCN(C)C1 ZINC000071290059 176110380 /nfs/dbraw/zinc/11/03/80/176110380.db2.gz CTECDLGAXAIACL-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000071290059 176110382 /nfs/dbraw/zinc/11/03/82/176110382.db2.gz CTECDLGAXAIACL-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)[C@H]1CCCN(C)C1 ZINC000071289783 176110634 /nfs/dbraw/zinc/11/06/34/176110634.db2.gz BKKMSZOXZDMHJE-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCOC(=O)CCCCC[N@@H+](CC)C1CC[NH2+]CC1 ZINC000071293036 176111168 /nfs/dbraw/zinc/11/11/68/176111168.db2.gz FIOLXIYXQDVAJN-UHFFFAOYSA-N 2 1 270.417 2.184 10 0 CEAEMP CC(C)n1c(C[NH3+])nnc1SCC[C@@H]1CCCC[N@H+]1C ZINC000071374448 176139506 /nfs/dbraw/zinc/13/95/06/176139506.db2.gz CIBUIJJEYTVJMR-LBPRGKRZSA-N 2 1 297.472 2.284 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@@H+](C)C1CCCC1 ZINC000071379324 176143458 /nfs/dbraw/zinc/14/34/58/176143458.db2.gz NETBHICNVUPEET-ZXFUBFMLSA-N 2 1 279.472 2.466 10 0 CEAEMP C[NH+](C)C1CC[NH+](CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401722 176153866 /nfs/dbraw/zinc/15/38/66/176153866.db2.gz XRNLYAADNNOPHS-QGZVFWFLSA-N 3 1 275.440 2.493 10 0 CEAEMP C[C@@H]1CCN(c2cc[nH+]cc2Br)[C@@H](C[NH3+])C1 ZINC000235371103 287605244 /nfs/dbraw/zinc/60/52/44/287605244.db2.gz FFOQUDGIMWXKTA-NXEZZACHSA-N 2 1 284.201 2.408 10 0 CEAEMP COC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249248996 280389643 /nfs/dbraw/zinc/38/96/43/280389643.db2.gz BSCBMAFMAABVDO-RDJZCZTQSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249248996 280389645 /nfs/dbraw/zinc/38/96/45/280389645.db2.gz BSCBMAFMAABVDO-RDJZCZTQSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249248996 280389647 /nfs/dbraw/zinc/38/96/47/280389647.db2.gz BSCBMAFMAABVDO-RDJZCZTQSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249248996 280389650 /nfs/dbraw/zinc/38/96/50/280389650.db2.gz BSCBMAFMAABVDO-RDJZCZTQSA-N 2 1 291.439 2.118 10 0 CEAEMP CC(C)[NH2+]Cc1cc(COCC[C@H]2CCC[N@H+]2C)on1 ZINC000052673346 519726041 /nfs/dbraw/zinc/72/60/41/519726041.db2.gz NNVXXHVJSWJKHE-CQSZACIVSA-N 2 1 281.400 2.174 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)CC2CC2)CCOCC1 ZINC000052182150 519909549 /nfs/dbraw/zinc/90/95/49/519909549.db2.gz UDMQIVNNFJCOGH-UHFFFAOYSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CCC)CCN(C)C ZINC000052544233 519913452 /nfs/dbraw/zinc/91/34/52/519913452.db2.gz MZRDXRNBHDFQPB-OAHLLOKOSA-N 2 1 257.466 2.428 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2C)O1 ZINC000052379021 519926968 /nfs/dbraw/zinc/92/69/68/519926968.db2.gz OLJZCHXBBOXSPP-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCCC[C@@H]1CCO ZINC000053863729 520215322 /nfs/dbraw/zinc/21/53/22/520215322.db2.gz XOFHIBSPCOVRRT-ZNMIVQPWSA-N 2 1 254.418 2.002 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](Cc1cccs1)C1CC1 ZINC000062741069 520307734 /nfs/dbraw/zinc/30/77/34/520307734.db2.gz JSFMBLNQGDMWFS-CYBMUJFWSA-N 2 1 268.426 2.466 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1cccnc1C[NH3+] ZINC000061656836 521559980 /nfs/dbraw/zinc/55/99/80/521559980.db2.gz ODCDCCIBNPQZQH-UHFFFAOYSA-N 2 1 265.401 2.177 10 0 CEAEMP C[NH2+]CC1(C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000051209801 521971084 /nfs/dbraw/zinc/97/10/84/521971084.db2.gz OEBYOZCVXUQPGP-ZIAGYGMSSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1C ZINC000052543658 522159823 /nfs/dbraw/zinc/15/98/23/522159823.db2.gz CQLQHLDFMQTLKP-GFCCVEGCSA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1oc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1C ZINC000052543658 522159829 /nfs/dbraw/zinc/15/98/29/522159829.db2.gz CQLQHLDFMQTLKP-GFCCVEGCSA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1C ZINC000052543657 522160350 /nfs/dbraw/zinc/16/03/50/522160350.db2.gz CQLQHLDFMQTLKP-LBPRGKRZSA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1oc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1C ZINC000052543657 522160363 /nfs/dbraw/zinc/16/03/63/522160363.db2.gz CQLQHLDFMQTLKP-LBPRGKRZSA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](CCO)C1CCCCC1 ZINC000053859167 522490127 /nfs/dbraw/zinc/49/01/27/522490127.db2.gz JNYRHDYDBNARTJ-ZBFHGGJFSA-N 2 1 268.445 2.392 10 0 CEAEMP CC(C)=CCN1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000049554235 519427303 /nfs/dbraw/zinc/42/73/03/519427303.db2.gz AOZNTAHYOAKSDY-OAHLLOKOSA-N 2 1 267.461 2.347 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CCC[C@H]2CCCO)CCOCC1 ZINC000052763425 519719749 /nfs/dbraw/zinc/71/97/49/519719749.db2.gz DPTRAKUBEYEVNK-INIZCTEOSA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)[NH2+]C[C@H](c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000052424436 519724664 /nfs/dbraw/zinc/72/46/64/519724664.db2.gz WEKZYJLHAOCEJS-QGZVFWFLSA-N 2 1 275.440 2.363 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1OCC[N@H+]1CCCOCC1 ZINC000061935806 519727654 /nfs/dbraw/zinc/72/76/54/519727654.db2.gz TYODYOVZCYARCV-UHFFFAOYSA-N 2 1 292.423 2.286 10 0 CEAEMP CC(C)[NH2+]Cc1cnc(N(C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000054905572 519728700 /nfs/dbraw/zinc/72/87/00/519728700.db2.gz DULWJPLHPKNVJR-GFCCVEGCSA-N 2 1 282.457 2.172 10 0 CEAEMP CC(C)[NH2+]Cc1occc1C[NH+]1CCSCC1 ZINC000052425566 519730382 /nfs/dbraw/zinc/73/03/82/519730382.db2.gz FTRPFXDLUYFQSL-UHFFFAOYSA-N 2 1 254.399 2.326 10 0 CEAEMP CCCN1CCC([N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC)C3)CC1 ZINC000054628832 519844977 /nfs/dbraw/zinc/84/49/77/519844977.db2.gz KPOPSHDOFGHSRG-ZXFUBFMLSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC)C3)CC1 ZINC000054628832 519844978 /nfs/dbraw/zinc/84/49/78/519844978.db2.gz KPOPSHDOFGHSRG-ZXFUBFMLSA-N 3 1 279.472 2.466 10 0 CEAEMP CCC[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC)C3)CC1 ZINC000054628832 519844979 /nfs/dbraw/zinc/84/49/79/519844979.db2.gz KPOPSHDOFGHSRG-ZXFUBFMLSA-N 3 1 279.472 2.466 10 0 CEAEMP CCC[NH+]1CCC(N2[C@@H]3CC[C@H]2CC([NH2+]CC)C3)CC1 ZINC000054628832 519844980 /nfs/dbraw/zinc/84/49/80/519844980.db2.gz KPOPSHDOFGHSRG-ZXFUBFMLSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049553839 519847614 /nfs/dbraw/zinc/84/76/14/519847614.db2.gz BNSUAOJHMNJGPA-GJZGRUSLSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)COCC ZINC000054629582 519908728 /nfs/dbraw/zinc/90/87/28/519908728.db2.gz KAIBOZDUWYGHLW-AVOUXACISA-N 2 1 254.418 2.406 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)C[C@@H]2CCCCO2)CCOCC1 ZINC000052182383 519909804 /nfs/dbraw/zinc/90/98/04/519909804.db2.gz MCCLVCMJIAJXDA-INIZCTEOSA-N 2 1 298.471 2.284 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593702 519940955 /nfs/dbraw/zinc/94/09/55/519940955.db2.gz GLQBWLQZJNPZBS-ZIAGYGMSSA-N 2 1 251.374 2.047 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccoc2C)O1 ZINC000052346600 519953964 /nfs/dbraw/zinc/95/39/64/519953964.db2.gz OVUFMGIVEWNQGY-LSDHHAIUSA-N 2 1 266.385 2.177 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416593 519980488 /nfs/dbraw/zinc/98/04/88/519980488.db2.gz WQULCUMJCYVVCC-KGLIPLIRSA-N 2 1 280.437 2.263 10 0 CEAEMP CCC[NH2+][C@@H](C)C1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000068689912 519984128 /nfs/dbraw/zinc/98/41/28/519984128.db2.gz LTYXNGKWAPQXGZ-ZDUSSCGKSA-N 2 1 291.443 2.147 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCCOC)CCOC)oc1C ZINC000052543235 519988352 /nfs/dbraw/zinc/98/83/52/519988352.db2.gz JHSRXOORKGORLJ-UHFFFAOYSA-N 2 1 298.427 2.182 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)COC)oc1C ZINC000052511466 519988776 /nfs/dbraw/zinc/98/87/76/519988776.db2.gz JEONLJRIPZMZTF-NSHDSACASA-N 2 1 254.374 2.164 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CN(C)C ZINC000061654540 520006830 /nfs/dbraw/zinc/00/68/30/520006830.db2.gz NYNDJLOFJFTHBL-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654540 520006836 /nfs/dbraw/zinc/00/68/36/520006836.db2.gz NYNDJLOFJFTHBL-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[NH+]1CCN(C2CC2)CC1 ZINC000052371418 520008182 /nfs/dbraw/zinc/00/81/82/520008182.db2.gz IVILCFYWXBLPJJ-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CC[NH2+]Cc1occc1CN1CCC(C[NH+](C)C)CC1 ZINC000052515320 520030487 /nfs/dbraw/zinc/03/04/87/520030487.db2.gz RLXBMOMZAVHHNM-UHFFFAOYSA-N 2 1 279.428 2.163 10 0 CEAEMP CC[NH2+][C@@H](C)c1sc(N2CC[NH+](CC)CC2)nc1C ZINC000054899327 520082680 /nfs/dbraw/zinc/08/26/80/520082680.db2.gz IFEXUFWXEAFNFX-NSHDSACASA-N 2 1 282.457 2.264 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000054560566 520122832 /nfs/dbraw/zinc/12/28/32/520122832.db2.gz SHSFZTOHFMOJOV-ZMSDIMECSA-N 2 1 282.472 2.494 10 0 CEAEMP CC[NH2+][C@@H]1COc2cc(OCCn3cc[nH+]c3C)ccc21 ZINC000062804561 520123652 /nfs/dbraw/zinc/12/36/52/520123652.db2.gz ZFNUFXIBXHMYPW-OAHLLOKOSA-N 2 1 287.363 2.314 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000054560320 520219205 /nfs/dbraw/zinc/21/92/05/520219205.db2.gz LYLZDKCRXVEJHH-HZMVEIRTSA-N 2 1 282.472 2.494 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000062739655 520518343 /nfs/dbraw/zinc/51/83/43/520518343.db2.gz UIPWGIXWYGFUNZ-CYBMUJFWSA-N 2 1 256.777 2.136 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000062739655 520518350 /nfs/dbraw/zinc/51/83/50/520518350.db2.gz UIPWGIXWYGFUNZ-CYBMUJFWSA-N 2 1 256.777 2.136 10 0 CEAEMP CCCC[N@@H+](CCO)[C@H](CC[NH3+])c1ccccc1 ZINC000055016761 520525641 /nfs/dbraw/zinc/52/56/41/520525641.db2.gz BEBBGRKNOAOXSW-OAHLLOKOSA-N 2 1 250.386 2.171 10 0 CEAEMP CCCC[N@@H+](CCn1cc(C[NH2+]C2CC2)nn1)[C@@H](C)CC ZINC000052372715 520540562 /nfs/dbraw/zinc/54/05/62/520540562.db2.gz SRORSFSVOBLNMQ-AWEZNQCLSA-N 2 1 293.459 2.431 10 0 CEAEMP CC[N@@H+](C[C@H]1CCCO1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182547 521269144 /nfs/dbraw/zinc/26/91/44/521269144.db2.gz VWZHOFYDAZQDPH-MRXNPFEDSA-N 2 1 298.471 2.282 10 0 CEAEMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052422540 521689239 /nfs/dbraw/zinc/68/92/39/521689239.db2.gz CAQMTJVPPSQOCH-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CC[C@@H](C)[N@@H+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052451268 522086612 /nfs/dbraw/zinc/08/66/12/522086612.db2.gz HVCBZRVCTDOCDE-CQSZACIVSA-N 2 1 281.448 2.144 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425381 522094405 /nfs/dbraw/zinc/09/44/05/522094405.db2.gz GXITTYJDEJBNGY-CABCVRRESA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573085 522141526 /nfs/dbraw/zinc/14/15/26/522141526.db2.gz HJDXZLCUNVHDJU-UONOGXRCSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573085 522141529 /nfs/dbraw/zinc/14/15/29/522141529.db2.gz HJDXZLCUNVHDJU-UONOGXRCSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+][C@H](C)C[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000068654197 522440823 /nfs/dbraw/zinc/44/08/23/522440823.db2.gz ZLYYXXHVOSKNEC-HUUCEWRRSA-N 2 1 291.439 2.204 10 0 CEAEMP C[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccncc1 ZINC000050952805 522728291 /nfs/dbraw/zinc/72/82/91/522728291.db2.gz WHYZYDGRJFAWAR-UHFFFAOYSA-N 2 1 261.413 2.336 10 0 CEAEMP CC[C@@H]1CCCC[N@H+]1CC1(C[NH2+]C)CCOCC1 ZINC000052181311 523167531 /nfs/dbraw/zinc/16/75/31/523167531.db2.gz RXJLNZOXCMOZHB-CQSZACIVSA-N 2 1 254.418 2.267 10 0 CEAEMP COCC[N@@H+](CCCC[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572257 523693146 /nfs/dbraw/zinc/69/31/46/523693146.db2.gz ZPVLCSNUUOJFEO-AWEZNQCLSA-N 2 1 274.449 2.138 10 0 CEAEMP COCC[N@@H+](C[C@@H](C)C[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545310 523730642 /nfs/dbraw/zinc/73/06/42/523730642.db2.gz MPBJGBGGWSNTHN-KBPBESRZSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1ccoc1C[NH2+]C ZINC000052547308 523938614 /nfs/dbraw/zinc/93/86/14/523938614.db2.gz UDIJHLGTIVLSSW-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP C[C@H](CCC[NH3+])O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702321 524140337 /nfs/dbraw/zinc/14/03/37/524140337.db2.gz VFBMAOARNFMFBO-ZBFHGGJFSA-N 2 1 262.397 2.405 10 0 CEAEMP c1cc(C[N@H+](CCN2CCC[NH2+]CC2)C2CC2)cs1 ZINC000061275308 526420639 /nfs/dbraw/zinc/42/06/39/526420639.db2.gz FUIWNRGCSJDHMB-UHFFFAOYSA-N 2 1 279.453 2.008 10 0 CEAEMP NC(=[NH2+])C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000055023435 526816624 /nfs/dbraw/zinc/81/66/24/526816624.db2.gz FMAZOJZVQXMZJE-CABCVRRESA-N 2 1 275.396 2.291 10 0 CEAEMP [NH3+]CC[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CCO ZINC000055015178 527192761 /nfs/dbraw/zinc/19/27/61/527192761.db2.gz VIXORDFLZPMNGK-HZPDHXFCSA-N 2 1 262.397 2.313 10 0 CEAEMP [NH3+]Cc1coc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000052417124 527263239 /nfs/dbraw/zinc/26/32/39/527263239.db2.gz WEXZGPLRYBANEQ-UHFFFAOYSA-N 2 1 285.391 2.056 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC[NH2+]C[C@@]1(C)c1ccccc1 ZINC000068696569 527427378 /nfs/dbraw/zinc/42/73/78/527427378.db2.gz GDHSGUWNFROLBN-KRWDZBQOSA-N 2 1 284.407 2.012 10 0 CEAEMP CC(C)[C@H]1[NH2+][C@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142702 574510238 /nfs/dbraw/zinc/51/02/38/574510238.db2.gz DGASPWYKVFWDAY-UKRRQHHQSA-N 2 1 254.418 2.469 10 0 CEAEMP CC(C)[C@@H]1O[C@@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149756 574510684 /nfs/dbraw/zinc/51/06/84/574510684.db2.gz OSVDQWZTDITUQA-DZGCQCFKSA-N 2 1 254.418 2.469 10 0 CEAEMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)c(C)c1 ZINC000399111247 628776247 /nfs/dbraw/zinc/77/62/47/628776247.db2.gz ZITWFNKIGYTHCK-OAHLLOKOSA-N 2 1 276.424 2.411 10 0 CEAEMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399157156 628781398 /nfs/dbraw/zinc/78/13/98/628781398.db2.gz DIULONDVVJAKEL-HIFRSBDPSA-N 2 1 254.418 2.002 10 0 CEAEMP Cc1cc(C)cc([C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000133474313 652630911 /nfs/dbraw/zinc/63/09/11/652630911.db2.gz DNNNZGSERCMJKH-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1cc(C)cc([C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000133474313 652630912 /nfs/dbraw/zinc/63/09/12/652630912.db2.gz DNNNZGSERCMJKH-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1cc(C)cc([C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000133474313 652630913 /nfs/dbraw/zinc/63/09/13/652630913.db2.gz DNNNZGSERCMJKH-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1cc(C)cc([C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000133474313 652630914 /nfs/dbraw/zinc/63/09/14/652630914.db2.gz DNNNZGSERCMJKH-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP CC(C)CCN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000096889381 185123775 /nfs/dbraw/zinc/12/37/75/185123775.db2.gz IABAVGNKDHOCFA-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP [NH3+]C[C@@H]1CCO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096949611 185139302 /nfs/dbraw/zinc/13/93/02/185139302.db2.gz OESZXCWZYXXBBP-CVEARBPZSA-N 2 1 260.381 2.016 10 0 CEAEMP CCOC[C@@H](C)n1c[nH+]cc1C1(C)CC[NH2+]CC1 ZINC000097019304 185152804 /nfs/dbraw/zinc/15/28/04/185152804.db2.gz UOFUMGAZOSDXDL-GFCCVEGCSA-N 2 1 251.374 2.122 10 0 CEAEMP C[N@H+](Cc1cncc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000621775816 349698686 /nfs/dbraw/zinc/69/86/86/349698686.db2.gz ZOTUJSWWSBLYQT-ZDUSSCGKSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1cncc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000621775816 349698689 /nfs/dbraw/zinc/69/86/89/349698689.db2.gz ZOTUJSWWSBLYQT-ZDUSSCGKSA-N 2 1 253.777 2.309 10 0 CEAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCCO2)cc1 ZINC000399636635 539267587 /nfs/dbraw/zinc/26/75/87/539267587.db2.gz XBCQXOWTSLHHSJ-KTGAGVNESA-N 2 1 286.419 2.276 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCCO2)cc1 ZINC000399636635 539267588 /nfs/dbraw/zinc/26/75/88/539267588.db2.gz XBCQXOWTSLHHSJ-KTGAGVNESA-N 2 1 286.419 2.276 10 0 CEAEMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@](C)(O)c1ccccc1 ZINC000328628023 344756674 /nfs/dbraw/zinc/75/66/74/344756674.db2.gz GUKVZQXAUGKBDP-QAPCUYQASA-N 2 1 299.418 2.285 10 0 CEAEMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@](C)(O)c1ccccc1 ZINC000328628023 344756677 /nfs/dbraw/zinc/75/66/77/344756677.db2.gz GUKVZQXAUGKBDP-QAPCUYQASA-N 2 1 299.418 2.285 10 0 CEAEMP COc1cccc([C@@]23CC[N@@H+](C)[C@@H](C[C@H]([NH3+])C2)C3)c1 ZINC000584624858 344968340 /nfs/dbraw/zinc/96/83/40/344968340.db2.gz FSEJGVIGKUJPSS-DZKIICNBSA-N 2 1 260.381 2.148 10 0 CEAEMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000085385124 179046351 /nfs/dbraw/zinc/04/63/51/179046351.db2.gz NPVVDROYLMREOO-MJBXVCDLSA-N 2 1 254.418 2.121 10 0 CEAEMP CC[C@@H](C)NC(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403756 179052880 /nfs/dbraw/zinc/05/28/80/179052880.db2.gz KOCASBNMSVJRLO-GDBMZVCRSA-N 2 1 295.471 2.145 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085529401 179091509 /nfs/dbraw/zinc/09/15/09/179091509.db2.gz QDWNIWPZFLYPTC-IRXDYDNUSA-N 2 1 288.439 2.044 10 0 CEAEMP CC[N@H+]1CC[C@@H](Cn2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085570478 179096315 /nfs/dbraw/zinc/09/63/15/179096315.db2.gz ADXIHXZZGASULY-CQSZACIVSA-N 2 1 290.455 2.069 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626733 179106724 /nfs/dbraw/zinc/10/67/24/179106724.db2.gz ONYIYUGTBSCRGM-WCQYABFASA-N 2 1 294.361 2.418 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626610 179106941 /nfs/dbraw/zinc/10/69/41/179106941.db2.gz RBUAJFVMVWFMNX-AEGPPILISA-N 2 1 252.402 2.018 10 0 CEAEMP C([C@H]1CCCO1)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610452 179101886 /nfs/dbraw/zinc/10/18/86/179101886.db2.gz OFLVFTFIFHUWTJ-CQSZACIVSA-N 2 1 252.402 2.164 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1Cc1cnn(C)c1 ZINC000085624768 179107451 /nfs/dbraw/zinc/10/74/51/179107451.db2.gz WZWXVVWBWCFGCJ-GXTWGEPZSA-N 2 1 264.417 2.019 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1Cc1cnn(C)c1 ZINC000085624768 179107452 /nfs/dbraw/zinc/10/74/52/179107452.db2.gz WZWXVVWBWCFGCJ-GXTWGEPZSA-N 2 1 264.417 2.019 10 0 CEAEMP CC[C@@](C[NH3+])(C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000086120697 179234934 /nfs/dbraw/zinc/23/49/34/179234934.db2.gz STPMSMRDZVLOJE-QGZVFWFLSA-N 2 1 279.472 2.312 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086171837 179243739 /nfs/dbraw/zinc/24/37/39/179243739.db2.gz ZWDJAZIYFMYXLL-GVDBMIGSSA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086173733 179245105 /nfs/dbraw/zinc/24/51/05/179245105.db2.gz SNJHGDNDPGEULX-PMPSAXMXSA-N 2 1 267.461 2.179 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177560 179247173 /nfs/dbraw/zinc/24/71/73/179247173.db2.gz GDUUOQJGNZUUEL-DLBZAZTESA-N 2 1 273.424 2.117 10 0 CEAEMP CC(C)[C@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146720 179238935 /nfs/dbraw/zinc/23/89/35/179238935.db2.gz NMSASDWPCUKWEC-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146720 179238937 /nfs/dbraw/zinc/23/89/37/179238937.db2.gz NMSASDWPCUKWEC-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146720 179238938 /nfs/dbraw/zinc/23/89/38/179238938.db2.gz NMSASDWPCUKWEC-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146720 179238940 /nfs/dbraw/zinc/23/89/40/179238940.db2.gz NMSASDWPCUKWEC-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146720 179238941 /nfs/dbraw/zinc/23/89/41/179238941.db2.gz NMSASDWPCUKWEC-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[C@@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223070 179251052 /nfs/dbraw/zinc/25/10/52/179251052.db2.gz DDUXYZJLJWAJPA-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223171 179252026 /nfs/dbraw/zinc/25/20/26/179252026.db2.gz HZQHXSJMIQOMLJ-IKGGRYGDSA-N 2 1 281.488 2.283 10 0 CEAEMP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259328 179258710 /nfs/dbraw/zinc/25/87/10/179258710.db2.gz LYEBKUSILAMSFB-LSDHHAIUSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@H]1CNC2(CCCCC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261066 179259976 /nfs/dbraw/zinc/25/99/76/179259976.db2.gz CPKURCLLXUMZLE-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@H]1C[NH2+]C2(CCCCC2)CN1CCCC[NH+](C)C ZINC000086261066 179259977 /nfs/dbraw/zinc/25/99/77/179259977.db2.gz CPKURCLLXUMZLE-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@H]1CNC2(CCCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259026 179257180 /nfs/dbraw/zinc/25/71/80/179257180.db2.gz FVWWWXMTTKHTNE-HNNXBMFYSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1C[NH2+]C2(CCCCC2)CN1CC1CC[NH+](C)CC1 ZINC000086259026 179257181 /nfs/dbraw/zinc/25/71/81/179257181.db2.gz FVWWWXMTTKHTNE-HNNXBMFYSA-N 2 1 279.472 2.325 10 0 CEAEMP C(C[N@H+]1CCC[NH2+]C2(CCCC2)C1)[C@H]1CCCO1 ZINC000086291390 179265721 /nfs/dbraw/zinc/26/57/21/179265721.db2.gz OAGYJDZZHQFJNF-CQSZACIVSA-N 2 1 252.402 2.164 10 0 CEAEMP CO[C@@H]1CCC[C@H]1[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293538 179267294 /nfs/dbraw/zinc/26/72/94/179267294.db2.gz GDVFXJXNYGERHL-ZIAGYGMSSA-N 2 1 252.402 2.162 10 0 CEAEMP CCC[C@@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296839 179267783 /nfs/dbraw/zinc/26/77/83/179267783.db2.gz KBCGYRPYFWGGFS-GFCCVEGCSA-N 2 1 253.415 2.150 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296839 179267784 /nfs/dbraw/zinc/26/77/84/179267784.db2.gz KBCGYRPYFWGGFS-GFCCVEGCSA-N 2 1 253.415 2.150 10 0 CEAEMP Cc1csc(CC[N@@H+]2CCC[NH2+]C(C)(C)C2)n1 ZINC000086296741 179268214 /nfs/dbraw/zinc/26/82/14/179268214.db2.gz PWSBPHUKQDFCQE-UHFFFAOYSA-N 2 1 253.415 2.068 10 0 CEAEMP Cc1csc(CC[N@H+]2CCC[NH2+]C(C)(C)C2)n1 ZINC000086296741 179268216 /nfs/dbraw/zinc/26/82/16/179268216.db2.gz PWSBPHUKQDFCQE-UHFFFAOYSA-N 2 1 253.415 2.068 10 0 CEAEMP CCC1(CC)C[N@H+]([C@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293600 179268349 /nfs/dbraw/zinc/26/83/49/179268349.db2.gz PHDBOCQQZVTNPJ-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP CN(C1CCCCC1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819219 179348077 /nfs/dbraw/zinc/34/80/77/179348077.db2.gz LDSOKWDZEOAZQV-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP C[N@H+]1CCC[C@@](CN)([NH+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348440 /nfs/dbraw/zinc/34/84/40/179348440.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 2 1 279.472 2.454 10 0 CEAEMP C[NH+]1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348442 /nfs/dbraw/zinc/34/84/42/179348442.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 2 1 279.472 2.454 10 0 CEAEMP C[NH+]1CCC[C@@](CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348444 /nfs/dbraw/zinc/34/84/44/179348444.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 2 1 279.472 2.454 10 0 CEAEMP C[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348447 /nfs/dbraw/zinc/34/84/47/179348447.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 2 1 279.472 2.454 10 0 CEAEMP C[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348448 /nfs/dbraw/zinc/34/84/48/179348448.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 2 1 279.472 2.454 10 0 CEAEMP CCCCN(C1CC1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819414 179348669 /nfs/dbraw/zinc/34/86/69/179348669.db2.gz HKFCCGQBRHQORZ-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818815 179346893 /nfs/dbraw/zinc/34/68/93/179346893.db2.gz PPFQJQYCHDGICC-GJZGRUSLSA-N 2 1 260.381 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C(C)C)CC1 ZINC000086848123 179357142 /nfs/dbraw/zinc/35/71/42/179357142.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](CC2CC2)C(C)C)CC1 ZINC000086848123 179357145 /nfs/dbraw/zinc/35/71/45/179357145.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](CC2CC2)C(C)C)CC1 ZINC000086848123 179357146 /nfs/dbraw/zinc/35/71/46/179357146.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+](CC2CC2)C(C)C)CC1 ZINC000086848123 179357150 /nfs/dbraw/zinc/35/71/50/179357150.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+](CC2CC2)C(C)C)CC1 ZINC000086848123 179357151 /nfs/dbraw/zinc/35/71/51/179357151.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847545 179357373 /nfs/dbraw/zinc/35/73/73/179357373.db2.gz HDEJBHKYADYWPQ-HNNXBMFYSA-N 2 1 285.501 2.019 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837645 179351601 /nfs/dbraw/zinc/35/16/01/179351601.db2.gz SMHMMYPNOWKXBV-MRXNPFEDSA-N 2 1 289.423 2.140 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837645 179351603 /nfs/dbraw/zinc/35/16/03/179351603.db2.gz SMHMMYPNOWKXBV-MRXNPFEDSA-N 2 1 289.423 2.140 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCCCn2ccnc2)CC1 ZINC000086843672 179352511 /nfs/dbraw/zinc/35/25/11/179352511.db2.gz RPRUEDGXKOCLKR-HNNXBMFYSA-N 2 1 264.417 2.127 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848958 179357793 /nfs/dbraw/zinc/35/77/93/179357793.db2.gz NVFSTXXYLBCYTH-INIZCTEOSA-N 2 1 265.445 2.064 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845052 179354929 /nfs/dbraw/zinc/35/49/29/179354929.db2.gz WCDHYLKIGRVDGJ-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP CCCN(C(C)C)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846776 179355656 /nfs/dbraw/zinc/35/56/56/179355656.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@H+](C(C)C)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846776 179355657 /nfs/dbraw/zinc/35/56/57/179355657.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@@H+](C(C)C)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846776 179355658 /nfs/dbraw/zinc/35/56/58/179355658.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[NH+](C(C)C)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846776 179355659 /nfs/dbraw/zinc/35/56/59/179355659.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[NH+](C(C)C)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846776 179355660 /nfs/dbraw/zinc/35/56/60/179355660.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851233 179359236 /nfs/dbraw/zinc/35/92/36/179359236.db2.gz SMQULMAHDPYRIE-INIZCTEOSA-N 3 1 267.461 2.310 10 0 CEAEMP CC[C@@H]1CN([C@@H]2CCC[N@@H+](CC)CC2)[C@@H](CC)C[NH2+]1 ZINC000086851262 179359244 /nfs/dbraw/zinc/35/92/44/179359244.db2.gz GXDFPIOHEXNJNR-OWCLPIDISA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCCOCC2)CC1 ZINC000086913253 179366998 /nfs/dbraw/zinc/36/69/98/179366998.db2.gz DQMXTCKYTONDAO-CABCVRRESA-N 2 1 254.418 2.397 10 0 CEAEMP COCC[NH+](CCOC)[C@@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086911330 179367199 /nfs/dbraw/zinc/36/71/99/179367199.db2.gz MTTZKAKWQYOGBR-INIZCTEOSA-N 2 1 286.460 2.269 10 0 CEAEMP CCC1CCC(O)(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000087061564 179389501 /nfs/dbraw/zinc/38/95/01/179389501.db2.gz ZUPWTUYLRCNBLW-HWOWSKLDSA-N 2 1 268.445 2.392 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566573 180006278 /nfs/dbraw/zinc/00/62/78/180006278.db2.gz OHLXFIMDKJQNKN-ZBFHGGJFSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566871 180006395 /nfs/dbraw/zinc/00/63/95/180006395.db2.gz JIPPIQXTLXRTNW-ROUUACIJSA-N 2 1 288.435 2.449 10 0 CEAEMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693654 180026280 /nfs/dbraw/zinc/02/62/80/180026280.db2.gz VNQPXUFMYZIESF-RBSFLKMASA-N 2 1 252.402 2.020 10 0 CEAEMP C[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)Cc1scnc1C ZINC000104449401 186006312 /nfs/dbraw/zinc/00/63/12/186006312.db2.gz PKWSWUKKBILUKD-NEPJUHHUSA-N 2 1 253.415 2.271 10 0 CEAEMP C[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)Cc1scnc1C ZINC000104449401 186006314 /nfs/dbraw/zinc/00/63/14/186006314.db2.gz PKWSWUKKBILUKD-NEPJUHHUSA-N 2 1 253.415 2.271 10 0 CEAEMP C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)[C@@H](C)CC[NH2+]1 ZINC000090878327 180051801 /nfs/dbraw/zinc/05/18/01/180051801.db2.gz KTKOLIGSHUZENX-IPYPFGDCSA-N 2 1 260.381 2.062 10 0 CEAEMP C[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O2)[C@@H](C)CC[NH2+]1 ZINC000090878327 180051802 /nfs/dbraw/zinc/05/18/02/180051802.db2.gz KTKOLIGSHUZENX-IPYPFGDCSA-N 2 1 260.381 2.062 10 0 CEAEMP CCC[C@@H](CC[NH3+])CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908691 180062158 /nfs/dbraw/zinc/06/21/58/180062158.db2.gz LXSHMIPONXBFFD-KFWWJZLASA-N 2 1 254.418 2.395 10 0 CEAEMP CCC[NH2+]Cc1cccn1C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000090996096 180083392 /nfs/dbraw/zinc/08/33/92/180083392.db2.gz FLZNUQZIQNWXHQ-INIZCTEOSA-N 2 1 279.428 2.097 10 0 CEAEMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019727 180087934 /nfs/dbraw/zinc/08/79/34/180087934.db2.gz AFFWBZNKHDRQOG-LBPRGKRZSA-N 2 1 258.369 2.124 10 0 CEAEMP CCCC1CC[NH+]([C@@H](CN)CC(=O)NC(C)(C)C)CC1 ZINC000091321534 180134702 /nfs/dbraw/zinc/13/47/02/180134702.db2.gz AWKNDBFWTNIOPB-CQSZACIVSA-N 2 1 283.460 2.131 10 0 CEAEMP C[N@H+](C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCOCC1 ZINC000091362333 180141894 /nfs/dbraw/zinc/14/18/94/180141894.db2.gz BICFIACZUSLSPQ-DZKIICNBSA-N 2 1 266.429 2.408 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCOCC1 ZINC000091362333 180141895 /nfs/dbraw/zinc/14/18/95/180141895.db2.gz BICFIACZUSLSPQ-DZKIICNBSA-N 2 1 266.429 2.408 10 0 CEAEMP CC(C)n1cncc1C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091273117 180118219 /nfs/dbraw/zinc/11/82/19/180118219.db2.gz DHMQTTYPTJANSV-HIFRSBDPSA-N 2 1 264.417 2.413 10 0 CEAEMP CC(C)n1cncc1C[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091273117 180118220 /nfs/dbraw/zinc/11/82/20/180118220.db2.gz DHMQTTYPTJANSV-HIFRSBDPSA-N 2 1 264.417 2.413 10 0 CEAEMP CCC[NH2+]C[C@](C)(CC)C[N@@H+](C)CC1CC(O)C1 ZINC000091490739 180169844 /nfs/dbraw/zinc/16/98/44/180169844.db2.gz ZFFOQCHWUBQDJM-NRXISQOPSA-N 2 1 256.434 2.105 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CC[N@H+](C)CC2CC(O)C2)cc1 ZINC000091499028 180173961 /nfs/dbraw/zinc/17/39/61/180173961.db2.gz ZPOQSUAERJLEGO-AVVWSFFYSA-N 2 1 262.397 2.088 10 0 CEAEMP C[NH2+][C@H](C)C(C)(C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000091404840 180147392 /nfs/dbraw/zinc/14/73/92/180147392.db2.gz FJRPYZWSAIPLGI-OAHLLOKOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@](C)(CC)[NH+](C)C ZINC000091570972 180195885 /nfs/dbraw/zinc/19/58/85/180195885.db2.gz ZTTPRWIYUFAGNK-ZBFHGGJFSA-N 2 1 295.475 2.185 10 0 CEAEMP CC[C@@](C)([C@H](Cc1cnn(C)c1)[NH2+]C)[NH+]1CCCCC1 ZINC000091609699 180205323 /nfs/dbraw/zinc/20/53/23/180205323.db2.gz RIIBHZPKSFRXFL-HOTGVXAUSA-N 2 1 278.444 2.205 10 0 CEAEMP C[NH2+][C@@H](Cc1cccc(OC)c1)C(C)(C)[NH+](C)C ZINC000091528779 180180953 /nfs/dbraw/zinc/18/09/53/180180953.db2.gz ZJJHRZCXXBZOPH-AWEZNQCLSA-N 2 1 250.386 2.166 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cccnc1N)C1([NH+](C)C)CCCC1 ZINC000091638337 180212163 /nfs/dbraw/zinc/21/21/63/180212163.db2.gz WOBJVVXIEURCBD-HNNXBMFYSA-N 2 1 290.455 2.449 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C1(N(C)C)CCCCCC1 ZINC000091654426 180217407 /nfs/dbraw/zinc/21/74/07/180217407.db2.gz XSAOEHGFTGSASR-INIZCTEOSA-N 2 1 290.455 2.449 10 0 CEAEMP CC1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091666166 180222136 /nfs/dbraw/zinc/22/21/36/180222136.db2.gz OKVUJQAYCWVBLD-QDIHITRGSA-N 2 1 266.429 2.266 10 0 CEAEMP CC1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091666166 180222137 /nfs/dbraw/zinc/22/21/37/180222137.db2.gz OKVUJQAYCWVBLD-QDIHITRGSA-N 2 1 266.429 2.266 10 0 CEAEMP Cc1ccc(C)c(C[C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720587 180236282 /nfs/dbraw/zinc/23/62/82/180236282.db2.gz JILSWROLSNWTIM-IXDOHACOSA-N 2 1 274.408 2.036 10 0 CEAEMP CCCCC[C@H]([NH2+]CC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721736 180238772 /nfs/dbraw/zinc/23/87/72/180238772.db2.gz ASFMYIZFDJSNCU-ILXRZTDVSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCCC[C@H]([NH2+]CC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721736 180238774 /nfs/dbraw/zinc/23/87/74/180238774.db2.gz ASFMYIZFDJSNCU-ILXRZTDVSA-N 2 1 254.418 2.408 10 0 CEAEMP CCc1cc(C[N@H+](CC)C2CCC([NH3+])CC2)n(C)n1 ZINC000091850791 180272437 /nfs/dbraw/zinc/27/24/37/180272437.db2.gz JGYWDRHQIJXKCL-UHFFFAOYSA-N 2 1 264.417 2.074 10 0 CEAEMP CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850827 180272553 /nfs/dbraw/zinc/27/25/53/180272553.db2.gz AYUJUUOHWRQQNR-PJPHBNEVSA-N 2 1 295.471 2.368 10 0 CEAEMP C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000091844301 180268766 /nfs/dbraw/zinc/26/87/66/180268766.db2.gz DVOHYTFZTDTWML-DAWZGUTISA-N 2 1 287.451 2.463 10 0 CEAEMP CC[N@@H+](Cc1ccc(C(=O)OC)o1)C1CCC([NH3+])CC1 ZINC000091850930 180271713 /nfs/dbraw/zinc/27/17/13/180271713.db2.gz RAXFFPLDQFTUGL-UHFFFAOYSA-N 2 1 280.368 2.158 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)Cc2cccc(OC)n2)CC1 ZINC000091870268 180277166 /nfs/dbraw/zinc/27/71/66/180277166.db2.gz SZRGKLNNNOTKEI-UHFFFAOYSA-N 2 1 277.412 2.443 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000091870580 180277408 /nfs/dbraw/zinc/27/74/08/180277408.db2.gz VKHKEQZHEGUIDQ-NRXISQOPSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@@H]([NH2+]C)c1ccc(OC[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000092051173 180312891 /nfs/dbraw/zinc/31/28/91/180312891.db2.gz YVJHKSJFJCBEIL-IAGOWNOFSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[C@@H]([NH2+]C)c1ccc(OC[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092051173 180312892 /nfs/dbraw/zinc/31/28/92/180312892.db2.gz YVJHKSJFJCBEIL-IAGOWNOFSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[NH2+]Cc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003571 180304299 /nfs/dbraw/zinc/30/42/99/180304299.db2.gz OWPPMGAZHZEWSE-CABCVRRESA-N 2 1 277.412 2.058 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+]1C[C@H](C)[C@H](C)C1)OCCO2 ZINC000092084315 180320295 /nfs/dbraw/zinc/32/02/95/180320295.db2.gz WYTRFDLDGPXIFE-QXSJWSMHSA-N 2 1 296.455 2.238 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC2=[NH+][C@@H](C(C)C)CS2)C1 ZINC000092402329 180377554 /nfs/dbraw/zinc/37/75/54/180377554.db2.gz YUJFFHPFXLEFAJ-NWDGAFQWSA-N 2 1 255.431 2.188 10 0 CEAEMP CCCNc1cc[nH+]c(CN(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092419004 180382574 /nfs/dbraw/zinc/38/25/74/180382574.db2.gz WIJRATVHUIIXIN-INIZCTEOSA-N 2 1 276.428 2.430 10 0 CEAEMP Cc1ccnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)c1 ZINC000108272536 186210083 /nfs/dbraw/zinc/21/00/83/186210083.db2.gz UEGLEDPCAGEOKB-QGZVFWFLSA-N 2 1 297.402 2.073 10 0 CEAEMP CN(CC[NH+]1CCCC1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594772 186265208 /nfs/dbraw/zinc/26/52/08/186265208.db2.gz NKQFCGOAJFAQGG-UHFFFAOYSA-N 2 1 285.391 2.259 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000109603747 186267997 /nfs/dbraw/zinc/26/79/97/186267997.db2.gz LTDIKSBDTPQELM-HOTGVXAUSA-N 2 1 290.407 2.352 10 0 CEAEMP CC[N@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629822 186307204 /nfs/dbraw/zinc/30/72/04/186307204.db2.gz LLWDSRUPHCKGHG-SNVBAGLBSA-N 2 1 292.358 2.423 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CC1CCCC1)C(N)=O ZINC000110841000 186328478 /nfs/dbraw/zinc/32/84/78/186328478.db2.gz FXFZLCUGAWXHFO-MRXNPFEDSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CC[N@H+]1C ZINC000110977983 186338641 /nfs/dbraw/zinc/33/86/41/186338641.db2.gz HLFXULZMTMKNTM-HOCLYGCPSA-N 2 1 279.403 2.160 10 0 CEAEMP COc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000110711642 186315280 /nfs/dbraw/zinc/31/52/80/186315280.db2.gz AVQFIQNSARUIET-OAHLLOKOSA-N 2 1 291.439 2.029 10 0 CEAEMP CCC[NH2+][C@@H](CC)[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717316 186315375 /nfs/dbraw/zinc/31/53/75/186315375.db2.gz LOPSNTGOPZMZNJ-KBPBESRZSA-N 2 1 255.450 2.179 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@@H+](C)[C@H](CC)C1 ZINC000110724193 186317914 /nfs/dbraw/zinc/31/79/14/186317914.db2.gz NQWPIAHAHMEMER-CQSZACIVSA-N 2 1 283.460 2.084 10 0 CEAEMP CC[C@H]1CN(CC(C)(C)C[NH2+]C(C)C)CC[N@H+]1C ZINC000110746627 186319228 /nfs/dbraw/zinc/31/92/28/186319228.db2.gz NHIPKCVYWSBELY-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC(C)(C)[NH2+]C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757911 186319657 /nfs/dbraw/zinc/31/96/57/186319657.db2.gz MHKMCSAHSQSDBY-CYBMUJFWSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)C[NH2+]CC[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755314 186320028 /nfs/dbraw/zinc/32/00/28/186320028.db2.gz MPDWEBPQKNGCJV-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[NH2+]CC[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755313 186320068 /nfs/dbraw/zinc/32/00/68/186320068.db2.gz MPDWEBPQKNGCJV-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747003 186321079 /nfs/dbraw/zinc/32/10/79/186321079.db2.gz JBEMBINIQDSQCH-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747003 186321081 /nfs/dbraw/zinc/32/10/81/186321081.db2.gz JBEMBINIQDSQCH-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747003 186321082 /nfs/dbraw/zinc/32/10/82/186321082.db2.gz JBEMBINIQDSQCH-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@H]1CN(Cc2occc2C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110751543 186321982 /nfs/dbraw/zinc/32/19/82/186321982.db2.gz UWWVNWJJJDSMEX-ZDUSSCGKSA-N 2 1 279.428 2.304 10 0 CEAEMP C[N@H+](Cc1cc(C[NH3+])ccc1F)CC1CCOCC1 ZINC000111157339 186362982 /nfs/dbraw/zinc/36/29/82/186362982.db2.gz BVFQMVWNFRVGPO-UHFFFAOYSA-N 2 1 266.360 2.143 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000111322143 186396894 /nfs/dbraw/zinc/39/68/94/186396894.db2.gz CVTKFUTYNSQKOF-GJZGRUSLSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324261 186397626 /nfs/dbraw/zinc/39/76/26/186397626.db2.gz WEWIEUBFTCIZQY-GOSISDBHSA-N 2 1 288.435 2.451 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324261 186397629 /nfs/dbraw/zinc/39/76/29/186397629.db2.gz WEWIEUBFTCIZQY-GOSISDBHSA-N 2 1 288.435 2.451 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)C2CCCCC2)CCCOC1 ZINC000111324312 186397784 /nfs/dbraw/zinc/39/77/84/186397784.db2.gz ABEWWWVGWIPUHI-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccccc2C)CC[N@H+]1C ZINC000111237355 186373141 /nfs/dbraw/zinc/37/31/41/186373141.db2.gz ZNVDKBYNSNNWRB-HOCLYGCPSA-N 2 1 261.413 2.021 10 0 CEAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562382 351416188 /nfs/dbraw/zinc/41/61/88/351416188.db2.gz MOJMMNJIPIFHKS-HBNTYKKESA-N 2 1 252.324 2.490 10 0 CEAEMP Cc1cc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630530162 351774046 /nfs/dbraw/zinc/77/40/46/351774046.db2.gz ZCRBMVPBBXIHKJ-MNOVXSKESA-N 2 1 288.317 2.057 10 0 CEAEMP CC(=O)Nc1cccc(C2=CC[N@@H+](CCC[NH3+])CC2)c1 ZINC000148144368 366580380 /nfs/dbraw/zinc/58/03/80/366580380.db2.gz CUZDKRSUWAJCQW-UHFFFAOYSA-N 2 1 273.380 2.083 10 0 CEAEMP Cc1cccc2c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc[nH+]c12 ZINC000301715306 201156249 /nfs/dbraw/zinc/15/62/49/201156249.db2.gz MPEQNAIMFDYMNF-HOTGVXAUSA-N 2 1 283.375 2.062 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000092634183 364093446 /nfs/dbraw/zinc/09/34/46/364093446.db2.gz HGICVNISVBAADP-HNNXBMFYSA-N 2 1 290.411 2.093 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000159147814 366882038 /nfs/dbraw/zinc/88/20/38/366882038.db2.gz ZKBDYEQKFMNABB-JKSUJKDBSA-N 2 1 278.444 2.372 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000159147814 366882045 /nfs/dbraw/zinc/88/20/45/366882045.db2.gz ZKBDYEQKFMNABB-JKSUJKDBSA-N 2 1 278.444 2.372 10 0 CEAEMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000174732449 368061934 /nfs/dbraw/zinc/06/19/34/368061934.db2.gz SJHZBMAITTVDSP-UONOGXRCSA-N 2 1 285.391 2.126 10 0 CEAEMP CCC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000190242623 369607872 /nfs/dbraw/zinc/60/78/72/369607872.db2.gz FOYMGMWTLYYURT-AWEZNQCLSA-N 2 1 275.396 2.493 10 0 CEAEMP CCC(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000190242623 369607874 /nfs/dbraw/zinc/60/78/74/369607874.db2.gz FOYMGMWTLYYURT-AWEZNQCLSA-N 2 1 275.396 2.493 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227798514 370384734 /nfs/dbraw/zinc/38/47/34/370384734.db2.gz FRGZZLIOAJEFFD-HZPDHXFCSA-N 2 1 295.471 2.084 10 0 CEAEMP COc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1OC ZINC000231464142 370481103 /nfs/dbraw/zinc/48/11/03/370481103.db2.gz DDGKDWHZGFASOV-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1OC ZINC000231464142 370481108 /nfs/dbraw/zinc/48/11/08/370481108.db2.gz DDGKDWHZGFASOV-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668370 370485965 /nfs/dbraw/zinc/48/59/65/370485965.db2.gz SUXJFKBLJKIOHZ-OAHLLOKOSA-N 2 1 275.396 2.089 10 0 CEAEMP C[N@@H+](CCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231668195 370486292 /nfs/dbraw/zinc/48/62/92/370486292.db2.gz DQTASGHLQNZSIU-MRXNPFEDSA-N 2 1 274.408 2.238 10 0 CEAEMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1F ZINC000261992589 371792316 /nfs/dbraw/zinc/79/23/16/371792316.db2.gz SXXGTOFARKUFDO-OIISXLGYSA-N 2 1 292.398 2.381 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccnn3-c3ccccc3)C[C@H]12 ZINC000261821310 371742178 /nfs/dbraw/zinc/74/21/78/371742178.db2.gz IKVMPMFLYWFRIL-RRQGHBQHSA-N 2 1 282.391 2.041 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@H]12 ZINC000261821310 371742184 /nfs/dbraw/zinc/74/21/84/371742184.db2.gz IKVMPMFLYWFRIL-RRQGHBQHSA-N 2 1 282.391 2.041 10 0 CEAEMP C[C@@H]1C[C@H]1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262029395 371803539 /nfs/dbraw/zinc/80/35/39/371803539.db2.gz XAFVLDDHMUZTSN-ILXRZTDVSA-N 2 1 288.439 2.020 10 0 CEAEMP C[C@]1(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039513 371809210 /nfs/dbraw/zinc/80/92/10/371809210.db2.gz OZDDWCYYIAWCKK-CJNGLKHVSA-N 2 1 290.411 2.126 10 0 CEAEMP C[C@]1(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039513 371809215 /nfs/dbraw/zinc/80/92/15/371809215.db2.gz OZDDWCYYIAWCKK-CJNGLKHVSA-N 2 1 290.411 2.126 10 0 CEAEMP COc1ccc([C@@H](C)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262044576 371811087 /nfs/dbraw/zinc/81/10/87/371811087.db2.gz PNWHHDZNPQQOIH-YOEHRIQHSA-N 2 1 274.408 2.484 10 0 CEAEMP [NH3+]C[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1c1ccccc1 ZINC000641799852 372742105 /nfs/dbraw/zinc/74/21/05/372742105.db2.gz SRCHWCQNZBGALB-HIFRSBDPSA-N 2 1 273.405 2.317 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1c1ccccc1 ZINC000641799852 372742112 /nfs/dbraw/zinc/74/21/12/372742112.db2.gz SRCHWCQNZBGALB-HIFRSBDPSA-N 2 1 273.405 2.317 10 0 CEAEMP C[C@@H]1CN(c2cc[nH+]cc2Br)C[C@@]1(C)C[NH3+] ZINC000309216880 376589256 /nfs/dbraw/zinc/58/92/56/376589256.db2.gz VTJRRXJKEFWHID-BXKDBHETSA-N 2 1 284.201 2.265 10 0 CEAEMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345228 197305787 /nfs/dbraw/zinc/30/57/87/197305787.db2.gz JXQCRCLSWQFZKE-DYVFJYSZSA-N 2 1 276.424 2.355 10 0 CEAEMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289345228 197305789 /nfs/dbraw/zinc/30/57/89/197305789.db2.gz JXQCRCLSWQFZKE-DYVFJYSZSA-N 2 1 276.424 2.355 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000132037467 285268812 /nfs/dbraw/zinc/26/88/12/285268812.db2.gz JYYMZFJPKPVCIS-VBNZEHGJSA-N 2 1 259.397 2.205 10 0 CEAEMP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](C)CCC(C)C ZINC000093617906 184696577 /nfs/dbraw/zinc/69/65/77/184696577.db2.gz PKRFIWQIXHUFSV-HOTGVXAUSA-N 2 1 270.461 2.495 10 0 CEAEMP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@@H+](C)CCC(C)C ZINC000093617905 184696735 /nfs/dbraw/zinc/69/67/35/184696735.db2.gz PKRFIWQIXHUFSV-HZPDHXFCSA-N 2 1 270.461 2.495 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@@H](N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000094439380 184799705 /nfs/dbraw/zinc/79/97/05/184799705.db2.gz YZZBFUOIZMKGNY-BZUAXINKSA-N 2 1 265.445 2.077 10 0 CEAEMP C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000093068622 135078871 /nfs/dbraw/zinc/07/88/71/135078871.db2.gz JNAOWJRRXDHMAB-GJZGRUSLSA-N 2 1 291.439 2.061 10 0 CEAEMP c1ccc2c(c1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422767381 394769759 /nfs/dbraw/zinc/76/97/59/394769759.db2.gz QYUSMSYFKOODRX-RLCAUIQDSA-N 2 1 258.365 2.383 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CCCCCCC1)C2 ZINC000020524109 171237281 /nfs/dbraw/zinc/23/72/81/171237281.db2.gz MJLCHIXIXMUGAZ-XYPWUTKMSA-N 2 1 265.445 2.207 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)NCCC[NH+]2CCCC2)C1 ZINC000037220932 173039302 /nfs/dbraw/zinc/03/93/02/173039302.db2.gz UFJDXRYPPVBFDC-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC[NH+]2CCCC2)C1 ZINC000037220932 173039305 /nfs/dbraw/zinc/03/93/05/173039305.db2.gz UFJDXRYPPVBFDC-HZPDHXFCSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC[NH+]2CCCC2)C1 ZINC000037220932 173039306 /nfs/dbraw/zinc/03/93/06/173039306.db2.gz UFJDXRYPPVBFDC-HZPDHXFCSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000037221293 173040515 /nfs/dbraw/zinc/04/05/15/173040515.db2.gz GBANVVFNLYCVKY-ZBFHGGJFSA-N 3 1 269.477 2.283 10 0 CEAEMP C[NH+](C)C1CC[NH+]([C@@H]2CNc3ccccc3C2)CC1 ZINC000037761147 173688212 /nfs/dbraw/zinc/68/82/12/173688212.db2.gz OMHVZGCIVNYWIM-HNNXBMFYSA-N 2 1 259.397 2.049 10 0 CEAEMP CCCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043222 174049648 /nfs/dbraw/zinc/04/96/48/174049648.db2.gz BQAGNTVHVKUTRV-HOCLYGCPSA-N 2 1 295.471 2.288 10 0 CEAEMP CCCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043222 174049650 /nfs/dbraw/zinc/04/96/50/174049650.db2.gz BQAGNTVHVKUTRV-HOCLYGCPSA-N 2 1 295.471 2.288 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000040593371 174347629 /nfs/dbraw/zinc/34/76/29/174347629.db2.gz DEYUVOUQGMRMBN-RHSMWYFYSA-N 2 1 258.409 2.475 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)C[C@@H]12 ZINC000312675134 414865961 /nfs/dbraw/zinc/86/59/61/414865961.db2.gz JRDDHWROQHMFOG-OCVGTWLNSA-N 2 1 272.392 2.222 10 0 CEAEMP C[NH2+][C@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073294 175302828 /nfs/dbraw/zinc/30/28/28/175302828.db2.gz MBYNEDQKLHTXTI-ZNMIVQPWSA-N 2 1 252.402 2.018 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[NH+](C)C)c1C ZINC000045167685 175319181 /nfs/dbraw/zinc/31/91/81/175319181.db2.gz XLDRCJVDEHMOSO-LLVKDONJSA-N 2 1 252.406 2.122 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000045168323 175319516 /nfs/dbraw/zinc/31/95/16/175319516.db2.gz BCZQZNBYTSYTND-LBPRGKRZSA-N 2 1 264.417 2.173 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000045172570 175321970 /nfs/dbraw/zinc/32/19/70/175321970.db2.gz MAEXBJMECXHDKF-QWRGUYRKSA-N 2 1 252.406 2.028 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277429 175347682 /nfs/dbraw/zinc/34/76/82/175347682.db2.gz BGICBNCZEUVLSF-NVXWUHKLSA-N 2 1 295.471 2.275 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277429 175347684 /nfs/dbraw/zinc/34/76/84/175347684.db2.gz BGICBNCZEUVLSF-NVXWUHKLSA-N 2 1 295.471 2.275 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCCC[NH+]1CCCCCCC1 ZINC000045371387 175364320 /nfs/dbraw/zinc/36/43/20/175364320.db2.gz REBUQAYKDOWDJJ-OAHLLOKOSA-N 2 1 270.417 2.313 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045372448 175364982 /nfs/dbraw/zinc/36/49/82/175364982.db2.gz NZINGGDKVCPFBJ-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375935 175366561 /nfs/dbraw/zinc/36/65/61/175366561.db2.gz SEZOXGYWADXUOQ-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C ZINC000045377967 175367862 /nfs/dbraw/zinc/36/78/62/175367862.db2.gz RTVMBGZJTASKOV-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C ZINC000045377967 175367863 /nfs/dbraw/zinc/36/78/63/175367863.db2.gz RTVMBGZJTASKOV-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C ZINC000045380847 175369878 /nfs/dbraw/zinc/36/98/78/175369878.db2.gz WBDLHYGHTXGDDS-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C ZINC000045380847 175369879 /nfs/dbraw/zinc/36/98/79/175369879.db2.gz WBDLHYGHTXGDDS-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](CC)CC(C)C ZINC000045381667 175370118 /nfs/dbraw/zinc/37/01/18/175370118.db2.gz PPFNNOGGCQLEJN-HNNXBMFYSA-N 2 1 272.433 2.415 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045381002 175370410 /nfs/dbraw/zinc/37/04/10/175370410.db2.gz IMBDXLBCMYJXDT-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045381002 175370412 /nfs/dbraw/zinc/37/04/12/175370412.db2.gz IMBDXLBCMYJXDT-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CCC)C1CC1)C(N)=O ZINC000045387474 175372977 /nfs/dbraw/zinc/37/29/77/175372977.db2.gz AJPLCGPGLJUPAW-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[N@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045387122 175373303 /nfs/dbraw/zinc/37/33/03/175373303.db2.gz AXJSWRRUSDFUIZ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045387122 175373305 /nfs/dbraw/zinc/37/33/05/175373305.db2.gz AXJSWRRUSDFUIZ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045388195 175374245 /nfs/dbraw/zinc/37/42/45/175374245.db2.gz JFKFLSDRFLLXEU-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045393000 175375762 /nfs/dbraw/zinc/37/57/62/175375762.db2.gz UBPMBXLSXPCBDP-WFASDCNBSA-N 2 1 270.417 2.038 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045393000 175375764 /nfs/dbraw/zinc/37/57/64/175375764.db2.gz UBPMBXLSXPCBDP-WFASDCNBSA-N 2 1 270.417 2.038 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)CCC)C(N)=O ZINC000045394775 175376026 /nfs/dbraw/zinc/37/60/26/175376026.db2.gz MJTLJWXEYGDXGY-ZFWWWQNUSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC1CC1)C(=O)OC ZINC000045419967 175378269 /nfs/dbraw/zinc/37/82/69/175378269.db2.gz UZOMDPBZGLQVLD-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CC1CC1)C(=O)OC ZINC000045419967 175378270 /nfs/dbraw/zinc/37/82/70/175378270.db2.gz UZOMDPBZGLQVLD-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124168 176035483 /nfs/dbraw/zinc/03/54/83/176035483.db2.gz MESIQKMBIZHTJN-JYJNAYRXSA-N 2 1 286.460 2.267 10 0 CEAEMP CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071188364 176062706 /nfs/dbraw/zinc/06/27/06/176062706.db2.gz UCPMWAWXWQIMKD-TZMCWYRMSA-N 2 1 281.469 2.194 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188111 176063192 /nfs/dbraw/zinc/06/31/92/176063192.db2.gz XZXUBOSTVLIFFA-IOASZLSFSA-N 2 1 279.403 2.098 10 0 CEAEMP CCc1ccc([C@H](CN(C)C[C@@H]2CC[N@@H+](C)C2)[NH2+]C)cc1 ZINC000071188879 176063716 /nfs/dbraw/zinc/06/37/16/176063716.db2.gz YCODJUBLXKOXHE-AEFFLSMTSA-N 2 1 289.467 2.393 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071188696 176063981 /nfs/dbraw/zinc/06/39/81/176063981.db2.gz UKPQMUWWKCLIGK-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189004 176064859 /nfs/dbraw/zinc/06/48/59/176064859.db2.gz SHDZSXLJPIVJBK-LVQVYYBASA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@@H](C[NH2+]Cc1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192300 176073838 /nfs/dbraw/zinc/07/38/38/176073838.db2.gz DIDVEWUSXFDSOR-UONOGXRCSA-N 2 1 281.469 2.110 10 0 CEAEMP CCCC[C@H](CC)C[N@@H+](CCOC)CCC(N)=[NH2+] ZINC000071229036 176091372 /nfs/dbraw/zinc/09/13/72/176091372.db2.gz KUHQGWZRETZIFH-ZDUSSCGKSA-N 2 1 257.422 2.477 10 0 CEAEMP CC[N@@H+](Cc1ccc(F)cc1C[NH3+])[C@H](C)COC ZINC000071263532 176096712 /nfs/dbraw/zinc/09/67/12/176096712.db2.gz YEUNFPXOTJVILG-LLVKDONJSA-N 2 1 254.349 2.141 10 0 CEAEMP COCC[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])CC(C)C ZINC000071267853 176101777 /nfs/dbraw/zinc/10/17/77/176101777.db2.gz SEPVEQHHZHWTPC-UHFFFAOYSA-N 2 1 281.375 2.214 10 0 CEAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1nccn1C ZINC000071273427 176105053 /nfs/dbraw/zinc/10/50/53/176105053.db2.gz KAMSARUIZHRWAP-MZBDJJRSSA-N 2 1 276.428 2.019 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1nccn1C ZINC000071273427 176105055 /nfs/dbraw/zinc/10/50/55/176105055.db2.gz KAMSARUIZHRWAP-MZBDJJRSSA-N 2 1 276.428 2.019 10 0 CEAEMP C[NH2+]CCCCCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000071289707 176110203 /nfs/dbraw/zinc/11/02/03/176110203.db2.gz QKBPWEZFMKGCGP-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCCCCC[NH2+]C)CC1 ZINC000071289793 176110463 /nfs/dbraw/zinc/11/04/63/176110463.db2.gz JBERNBRDPODAHH-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](CCOC)[C@H](C)COC ZINC000071289733 176110778 /nfs/dbraw/zinc/11/07/78/176110778.db2.gz SIZJDCXFACIBSX-OAHLLOKOSA-N 2 1 274.449 2.140 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1CCn1cc[nH+]c1C ZINC000071358319 176138025 /nfs/dbraw/zinc/13/80/25/176138025.db2.gz BHVZGVJCTDUZJE-HNNXBMFYSA-N 2 1 276.428 2.188 10 0 CEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000261557573 278242276 /nfs/dbraw/zinc/24/22/76/278242276.db2.gz XMCRTDJXMPLETH-DOTOQJQBSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261557573 278242277 /nfs/dbraw/zinc/24/22/77/278242277.db2.gz XMCRTDJXMPLETH-DOTOQJQBSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000124260193 290144535 /nfs/dbraw/zinc/14/45/35/290144535.db2.gz OVRYNKHTZIVBCE-JKSUJKDBSA-N 2 1 268.445 2.488 10 0 CEAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219033 314253478 /nfs/dbraw/zinc/25/34/78/314253478.db2.gz UUAIHGDLDFVKIB-OWCLPIDISA-N 3 1 267.461 2.086 10 0 CEAEMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219034 314253846 /nfs/dbraw/zinc/25/38/46/314253846.db2.gz UUAIHGDLDFVKIB-PMPSAXMXSA-N 3 1 267.461 2.086 10 0 CEAEMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000581005708 322361357 /nfs/dbraw/zinc/36/13/57/322361357.db2.gz CVMUHJQPUZCQND-CVEARBPZSA-N 3 1 267.461 2.086 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540313 519720709 /nfs/dbraw/zinc/72/07/09/519720709.db2.gz RUPKBFZZPBALFU-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511045 519927217 /nfs/dbraw/zinc/92/72/17/519927217.db2.gz UXHSDDSQMQUECK-HRCADAONSA-N 2 1 284.444 2.035 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456351 519950348 /nfs/dbraw/zinc/95/03/48/519950348.db2.gz BVKVGVLMPYIJGR-STQMWFEESA-N 2 1 268.426 2.337 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CC)CCOC ZINC000052542663 519960191 /nfs/dbraw/zinc/96/01/91/519960191.db2.gz ZXARIFHXBPTAHN-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CC)CCOC)c(C)o1 ZINC000052542794 519986477 /nfs/dbraw/zinc/98/64/77/519986477.db2.gz IRNSERZNKODKPX-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP CC[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc1CC ZINC000054998301 520032955 /nfs/dbraw/zinc/03/29/55/520032955.db2.gz WBXPTFYPZFDTTA-GFCCVEGCSA-N 2 1 296.484 2.345 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630337 520110154 /nfs/dbraw/zinc/11/01/54/520110154.db2.gz LORLQKBXZOZNHX-DVOMOZLQSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630337 520110159 /nfs/dbraw/zinc/11/01/59/520110159.db2.gz LORLQKBXZOZNHX-DVOMOZLQSA-N 2 1 285.476 2.375 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H]2CCCO)CCCCC1 ZINC000052763401 521969108 /nfs/dbraw/zinc/96/91/08/521969108.db2.gz IYNCUDKUNFENBA-OAHLLOKOSA-N 2 1 268.445 2.393 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479264 519723577 /nfs/dbraw/zinc/72/35/77/519723577.db2.gz ISKMJSLRWQIXHL-QEJZJMRPSA-N 2 1 254.418 2.262 10 0 CEAEMP CC(C)[NH2+]C[C@H](C(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515158 519724298 /nfs/dbraw/zinc/72/42/98/519724298.db2.gz CLDLSLDEYBFEFI-MRXNPFEDSA-N 3 1 269.477 2.283 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068647043 519735953 /nfs/dbraw/zinc/73/59/53/519735953.db2.gz LHLQFXLSEVCJBR-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068647043 519735954 /nfs/dbraw/zinc/73/59/54/519735954.db2.gz LHLQFXLSEVCJBR-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc(N(C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000054905586 519748410 /nfs/dbraw/zinc/74/84/10/519748410.db2.gz BWGAGBYEGYBZTN-CYBMUJFWSA-N 2 1 296.484 2.419 10 0 CEAEMP CC(C)[C@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@H+]1C ZINC000052205965 519814501 /nfs/dbraw/zinc/81/45/01/519814501.db2.gz RIQSVBVMTPUGLX-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205965 519814502 /nfs/dbraw/zinc/81/45/02/519814502.db2.gz RIQSVBVMTPUGLX-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052205965 519814503 /nfs/dbraw/zinc/81/45/03/519814503.db2.gz RIQSVBVMTPUGLX-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553828 519853412 /nfs/dbraw/zinc/85/34/12/519853412.db2.gz XFRBTMPTTWEHHT-XHSDSOJGSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553828 519853413 /nfs/dbraw/zinc/85/34/13/519853413.db2.gz XFRBTMPTTWEHHT-XHSDSOJGSA-N 3 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553828 519853415 /nfs/dbraw/zinc/85/34/15/519853415.db2.gz XFRBTMPTTWEHHT-XHSDSOJGSA-N 3 1 269.477 2.427 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763422 519910921 /nfs/dbraw/zinc/91/09/21/519910921.db2.gz JCGTYNNPWPYLOG-MRXNPFEDSA-N 2 1 298.471 2.020 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2F)O1 ZINC000052541465 519952519 /nfs/dbraw/zinc/95/25/19/519952519.db2.gz BLWPUWHVKPVCEF-LSDHHAIUSA-N 2 1 280.387 2.415 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(OC)c2)O1 ZINC000052372966 519976890 /nfs/dbraw/zinc/97/68/90/519976890.db2.gz IAXSECKVRLTCER-SJORKVTESA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](CCOC)[C@@H](C)COC)c1 ZINC000052572308 520003371 /nfs/dbraw/zinc/00/33/71/520003371.db2.gz IDSAREJBJLDUCG-HNNXBMFYSA-N 2 1 294.439 2.279 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCOCC1(C)C ZINC000052546211 520007838 /nfs/dbraw/zinc/00/78/38/520007838.db2.gz KHOKPNBHSHYKKI-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570972 520030570 /nfs/dbraw/zinc/03/05/70/520030570.db2.gz RNHAPQBXOTYROK-JSGCOSHPSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570972 520030579 /nfs/dbraw/zinc/03/05/79/520030579.db2.gz RNHAPQBXOTYROK-JSGCOSHPSA-N 2 1 266.385 2.388 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1ccc(CC)cc1 ZINC000062739588 520518109 /nfs/dbraw/zinc/51/81/09/520518109.db2.gz KHVMMBJWIPQJAT-OAHLLOKOSA-N 2 1 250.386 2.045 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052372360 520526668 /nfs/dbraw/zinc/52/66/68/520526668.db2.gz UXSLCVXYJMNLAS-ZDUSSCGKSA-N 2 1 266.385 2.308 10 0 CEAEMP CCC[C@@H]([NH2+]C)[C@H](CC)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940554 520769303 /nfs/dbraw/zinc/76/93/03/520769303.db2.gz YHIWOIKEUYWPCH-OAGGEKHMSA-N 2 1 267.461 2.323 10 0 CEAEMP CCCC[C@](CC)(C[NH3+])[N@@H+](CCOC)[C@@H](C)COC ZINC000069380468 521252439 /nfs/dbraw/zinc/25/24/39/521252439.db2.gz FWFSYTHZWYJKJP-LSDHHAIUSA-N 2 1 274.449 2.267 10 0 CEAEMP CC[N@@H+](Cc1ccc(C[NH2+]C)cc1)[C@@H](C)COC ZINC000052504989 521305554 /nfs/dbraw/zinc/30/55/54/521305554.db2.gz ILNLJGBRAJJHLR-ZDUSSCGKSA-N 2 1 250.386 2.263 10 0 CEAEMP CCN1CCC([N@H+](C)[C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544085 521566727 /nfs/dbraw/zinc/56/67/27/521566727.db2.gz XERSEJRSUQGTKP-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CCN1CCC([N@@H+](C)[C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544085 521566731 /nfs/dbraw/zinc/56/67/31/521566731.db2.gz XERSEJRSUQGTKP-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CCN1CC[NH+](Cc2cccc(C[NH2+]C(C)C)c2)CC1 ZINC000052422289 521689133 /nfs/dbraw/zinc/68/91/33/521689133.db2.gz IJHLHBMQYRYRPR-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP COCC[C@@H]([NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052810636 521831381 /nfs/dbraw/zinc/83/13/81/521831381.db2.gz SJUWBPJBKBLTOB-QGZVFWFLSA-N 2 1 276.424 2.305 10 0 CEAEMP C[NH2+]CC1(C[N@H+](C)Cc2ccc(F)cc2)CCOCC1 ZINC000052198203 521965013 /nfs/dbraw/zinc/96/50/13/521965013.db2.gz UEXIVQONPBRVFT-UHFFFAOYSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccc(F)cc2)CCOCC1 ZINC000052198203 521965017 /nfs/dbraw/zinc/96/50/17/521965017.db2.gz UEXIVQONPBRVFT-UHFFFAOYSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccccc2C)CCOCC1 ZINC000052183543 521966370 /nfs/dbraw/zinc/96/63/70/521966370.db2.gz AAJNLYFPOCUDRY-UHFFFAOYSA-N 2 1 276.424 2.443 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)O1 ZINC000052546892 522092712 /nfs/dbraw/zinc/09/27/12/522092712.db2.gz VEMNVCRUAZEMJU-LJISPDSOSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@@H+](CCOC)[C@H](C)C1CC1 ZINC000052545326 522138750 /nfs/dbraw/zinc/13/87/50/522138750.db2.gz HHRIRPCOCWPQHL-GFCCVEGCSA-N 2 1 266.385 2.246 10 0 CEAEMP CN(C)c1nc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)cc[nH+]1 ZINC000068690255 522362160 /nfs/dbraw/zinc/36/21/60/522362160.db2.gz KMVAWGMZPGPURW-CYBMUJFWSA-N 2 1 291.443 2.147 10 0 CEAEMP CN(C)c1nc(N2CCC(C[NH2+]C(C)(C)C)CC2)cc[nH+]1 ZINC000068690229 522362556 /nfs/dbraw/zinc/36/25/56/522362556.db2.gz CQTCFOJSJJTACL-UHFFFAOYSA-N 2 1 291.443 2.147 10 0 CEAEMP CN(C)c1nc(N2CCCC[C@H]2C[NH2+]C(C)(C)C)cc[nH+]1 ZINC000068690244 522362748 /nfs/dbraw/zinc/36/27/48/522362748.db2.gz LONLDPXVZQMLCS-ZDUSSCGKSA-N 2 1 291.443 2.290 10 0 CEAEMP COC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052511605 522593222 /nfs/dbraw/zinc/59/32/22/522593222.db2.gz PXABGGPDNKOISM-NSHDSACASA-N 2 1 269.389 2.029 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052511605 522593230 /nfs/dbraw/zinc/59/32/30/522593230.db2.gz PXABGGPDNKOISM-NSHDSACASA-N 2 1 269.389 2.029 10 0 CEAEMP CC[C@H]1CCC[N@H+](Cc2csc(C[NH2+]C)n2)C1 ZINC000052479578 523091087 /nfs/dbraw/zinc/09/10/87/523091087.db2.gz GKYZWMWYZGVPJE-NSHDSACASA-N 2 1 253.415 2.485 10 0 CEAEMP CC[C@H]1CCC[N@@H+](Cc2csc(C[NH2+]C)n2)C1 ZINC000052479578 523091089 /nfs/dbraw/zinc/09/10/89/523091089.db2.gz GKYZWMWYZGVPJE-NSHDSACASA-N 2 1 253.415 2.485 10 0 CEAEMP CC[C@@H]1CCC[N@@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052181845 523249954 /nfs/dbraw/zinc/24/99/54/523249954.db2.gz DHSWTLPKJHWXDD-CQSZACIVSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571022 523351084 /nfs/dbraw/zinc/35/10/84/523351084.db2.gz OAECVRKDRFGJCE-ZBFHGGJFSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570846 523351347 /nfs/dbraw/zinc/35/13/47/523351347.db2.gz DXZCPLUTBIWSAO-ZNMIVQPWSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570846 523351350 /nfs/dbraw/zinc/35/13/50/523351350.db2.gz DXZCPLUTBIWSAO-ZNMIVQPWSA-N 2 1 256.434 2.367 10 0 CEAEMP COCC[NH+](CCOC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052571542 523719909 /nfs/dbraw/zinc/71/99/09/523719909.db2.gz ZVNQFVJTVBEJMH-UHFFFAOYSA-N 2 1 298.427 2.181 10 0 CEAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000062707787 523961739 /nfs/dbraw/zinc/96/17/39/523961739.db2.gz GDBVOSQXOQTBCU-VIFPVBQESA-N 2 1 258.287 2.145 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000062707787 523961744 /nfs/dbraw/zinc/96/17/44/523961744.db2.gz GDBVOSQXOQTBCU-VIFPVBQESA-N 2 1 258.287 2.145 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000062702699 523963001 /nfs/dbraw/zinc/96/30/01/523963001.db2.gz YCWSGZKBXYQGLA-NSHDSACASA-N 2 1 299.212 2.196 10 0 CEAEMP C[C@H]1CCC[C@@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125540 524126819 /nfs/dbraw/zinc/12/68/19/524126819.db2.gz JEGDVSPHMBXHHZ-CAOSSQGBSA-N 2 1 295.471 2.131 10 0 CEAEMP Cc1cccc(C[N@@H+](C)Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068761303 524376824 /nfs/dbraw/zinc/37/68/24/524376824.db2.gz WJXBMPVAOITTGB-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP Cc1cccc(C[N@H+](C)Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068761303 524376830 /nfs/dbraw/zinc/37/68/30/524376830.db2.gz WJXBMPVAOITTGB-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761440 524389602 /nfs/dbraw/zinc/38/96/02/524389602.db2.gz RXXXFFUJXYWPSB-YPMHNXCESA-N 2 1 260.385 2.376 10 0 CEAEMP C[C@H]1COCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052476106 524725375 /nfs/dbraw/zinc/72/53/75/524725375.db2.gz BIFHMQYUJSDBLD-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H]1COCC[N@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052476106 524725384 /nfs/dbraw/zinc/72/53/84/524725384.db2.gz BIFHMQYUJSDBLD-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675052 525099504 /nfs/dbraw/zinc/09/95/04/525099504.db2.gz RGHYAVZCXJPTQK-BETUJISGSA-N 2 1 276.380 2.093 10 0 CEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675052 525099510 /nfs/dbraw/zinc/09/95/10/525099510.db2.gz RGHYAVZCXJPTQK-BETUJISGSA-N 2 1 276.380 2.093 10 0 CEAEMP Fc1ccccc1CC[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053012056 526409174 /nfs/dbraw/zinc/40/91/74/526409174.db2.gz AXWKQHKNPRPCJV-ZDUSSCGKSA-N 2 1 262.372 2.442 10 0 CEAEMP Fc1ccccc1CC[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053012056 526409176 /nfs/dbraw/zinc/40/91/76/526409176.db2.gz AXWKQHKNPRPCJV-ZDUSSCGKSA-N 2 1 262.372 2.442 10 0 CEAEMP O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000051359785 526485263 /nfs/dbraw/zinc/48/52/63/526485263.db2.gz POCNPMQPBQRKSP-HOTGVXAUSA-N 2 1 287.407 2.232 10 0 CEAEMP O=C(CC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000051359785 526485270 /nfs/dbraw/zinc/48/52/70/526485270.db2.gz POCNPMQPBQRKSP-HOTGVXAUSA-N 2 1 287.407 2.232 10 0 CEAEMP C[NH2+]Cc1c(C)cc(C)nc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094443170 536468783 /nfs/dbraw/zinc/46/87/83/536468783.db2.gz MMNDUQUCLOOMMS-OAHLLOKOSA-N 2 1 288.439 2.092 10 0 CEAEMP Cc1oc(CN2CC[NH+](C)CC2)cc1C[NH2+]CC(C)C ZINC000052379319 526772234 /nfs/dbraw/zinc/77/22/34/526772234.db2.gz OMKWSLVXUOFBTD-UHFFFAOYSA-N 2 1 279.428 2.081 10 0 CEAEMP Cc1oc(C[NH2+]CC(C)C)cc1CN1CCC[N@@H+](C)CC1 ZINC000052424404 526775205 /nfs/dbraw/zinc/77/52/05/526775205.db2.gz LPNWLCFFNHHAGR-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1oc(C[NH2+]CC(C)C)cc1C[N@@H+]1CCCN(C)CC1 ZINC000052424404 526775209 /nfs/dbraw/zinc/77/52/09/526775209.db2.gz LPNWLCFFNHHAGR-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1oc(C[NH2+]CC(C)C)cc1C[N@H+]1CCCN(C)CC1 ZINC000052424404 526775210 /nfs/dbraw/zinc/77/52/10/526775210.db2.gz LPNWLCFFNHHAGR-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP [NH3+]Cc1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000050514201 527260620 /nfs/dbraw/zinc/26/06/20/527260620.db2.gz ZSBRBDQJTWZMQI-UHFFFAOYSA-N 2 1 270.376 2.140 10 0 CEAEMP Cc1ncc(C[NH2+]CC[C@H]2CCCC[N@H+]2C)s1 ZINC000052205830 527270319 /nfs/dbraw/zinc/27/03/19/527270319.db2.gz HKACKLXYBPKNDS-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP Cc1ncc(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000052205830 527270323 /nfs/dbraw/zinc/27/03/23/527270323.db2.gz HKACKLXYBPKNDS-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000068702799 527427409 /nfs/dbraw/zinc/42/74/09/527427409.db2.gz MLHRQIZVAFTHEB-JKSUJKDBSA-N 2 1 278.444 2.146 10 0 CEAEMP CCC[C@@H](C[NH3+])C[NH+]1CCN(c2ccccc2F)CC1 ZINC000087535425 535341271 /nfs/dbraw/zinc/34/12/71/535341271.db2.gz GCYBIVNPMURGLP-AWEZNQCLSA-N 2 1 279.403 2.323 10 0 CEAEMP CC[NH+]1CCC2(CC1)[NH2+]CC1(CC1)[C@H](C(C)C)O2 ZINC000757146391 574510410 /nfs/dbraw/zinc/51/04/10/574510410.db2.gz RGYBDSHAJOUJLN-ZDUSSCGKSA-N 2 1 252.402 2.223 10 0 CEAEMP CC(C)[C@H]1O[C@@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149857 574510679 /nfs/dbraw/zinc/51/06/79/574510679.db2.gz OSVDQWZTDITUQA-UKRRQHHQSA-N 2 1 254.418 2.469 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757150389 574510749 /nfs/dbraw/zinc/51/07/49/574510749.db2.gz XVMQVWRTPUDRSO-SECBINFHSA-N 2 1 262.344 2.267 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000124002044 623557889 /nfs/dbraw/zinc/55/78/89/623557889.db2.gz HYSKUNUHGWWSTR-RHSMWYFYSA-N 2 1 285.435 2.001 10 0 CEAEMP CC/C=C(\C)C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067879527 641350575 /nfs/dbraw/zinc/35/05/75/641350575.db2.gz UERRTPYFPMBVNY-HVJNQHDOSA-N 2 1 293.455 2.052 10 0 CEAEMP COc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082728991 178245730 /nfs/dbraw/zinc/24/57/30/178245730.db2.gz IQMGVJJEDOPDEZ-GDBMZVCRSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082728991 178245731 /nfs/dbraw/zinc/24/57/31/178245731.db2.gz IQMGVJJEDOPDEZ-GDBMZVCRSA-N 2 1 260.381 2.269 10 0 CEAEMP CC(C)CC[N@@H+](CCCC[C@](C)(O)C[NH3+])C1CC1 ZINC000096837355 185116452 /nfs/dbraw/zinc/11/64/52/185116452.db2.gz XXHSDPDGNACKDS-HNNXBMFYSA-N 2 1 256.434 2.377 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000261595553 539185555 /nfs/dbraw/zinc/18/55/55/539185555.db2.gz OGWXFPJXXIFMDJ-RRFJBIMHSA-N 2 1 260.381 2.173 10 0 CEAEMP C[N@@H+]([C@@H]1C[C@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264544 539212879 /nfs/dbraw/zinc/21/28/79/539212879.db2.gz URQOCWJRGDULTF-UONOGXRCSA-N 2 1 252.402 2.147 10 0 CEAEMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637460 539292340 /nfs/dbraw/zinc/29/23/40/539292340.db2.gz MFZLQDIUEZUWDR-RQJABVFESA-N 2 1 254.418 2.120 10 0 CEAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000142158223 344402730 /nfs/dbraw/zinc/40/27/30/344402730.db2.gz PYGMRJTTXXNXLO-SWLSCSKDSA-N 2 1 277.387 2.125 10 0 CEAEMP CC[C@](C)(C[NH3+])Nc1cc[nH+]cc1Br ZINC000160026753 344457005 /nfs/dbraw/zinc/45/70/05/344457005.db2.gz VAZWEEWLHXDBSW-SNVBAGLBSA-N 2 1 258.163 2.383 10 0 CEAEMP CCC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](CCOC)[C@@H](C)COC ZINC000084391660 178879131 /nfs/dbraw/zinc/87/91/31/178879131.db2.gz MTPMFWJUDNUYQY-ZNMIVQPWSA-N 2 1 274.449 2.136 10 0 CEAEMP c1ccc2c(c1)CCC[C@H]2C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000085403081 179053265 /nfs/dbraw/zinc/05/32/65/179053265.db2.gz UMPBQUBOQQDGRZ-YQQAZPJKSA-N 2 1 256.393 2.400 10 0 CEAEMP c1ccc2c(c1)CCC[C@H]2C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000085403081 179053268 /nfs/dbraw/zinc/05/32/68/179053268.db2.gz UMPBQUBOQQDGRZ-YQQAZPJKSA-N 2 1 256.393 2.400 10 0 CEAEMP CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085523437 179088961 /nfs/dbraw/zinc/08/89/61/179088961.db2.gz XWTZZHQBEYXSOP-HZPDHXFCSA-N 2 1 276.428 2.044 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCC[NH2+]1 ZINC000085610218 179101598 /nfs/dbraw/zinc/10/15/98/179101598.db2.gz FCDKAXFZUUOHJJ-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCC[NH2+]1 ZINC000085610218 179101600 /nfs/dbraw/zinc/10/16/00/179101600.db2.gz FCDKAXFZUUOHJJ-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP CC1(C)C[N@H+](C[C@@H]2OCCc3ccccc32)CCC[NH2+]1 ZINC000085611640 179103438 /nfs/dbraw/zinc/10/34/38/179103438.db2.gz CLKPGJHJRFRPRX-INIZCTEOSA-N 2 1 274.408 2.374 10 0 CEAEMP CC1(C)C[N@@H+](C[C@@H]2OCCc3ccccc32)CCC[NH2+]1 ZINC000085611640 179103440 /nfs/dbraw/zinc/10/34/40/179103440.db2.gz CLKPGJHJRFRPRX-INIZCTEOSA-N 2 1 274.408 2.374 10 0 CEAEMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CCC[NH2+]1 ZINC000085614177 179103501 /nfs/dbraw/zinc/10/35/01/179103501.db2.gz PTSJPGIQRLWODL-AWEZNQCLSA-N 2 1 277.412 2.281 10 0 CEAEMP Cc1nccn1CC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623652 179105257 /nfs/dbraw/zinc/10/52/57/179105257.db2.gz QXZNDYIPUPRXBK-XJKSGUPXSA-N 2 1 276.428 2.044 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085621146 179106198 /nfs/dbraw/zinc/10/61/98/179106198.db2.gz LTNPMOWCLMKRGI-CABCVRRESA-N 2 1 266.429 2.410 10 0 CEAEMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C12CCCC2 ZINC000085679941 179113199 /nfs/dbraw/zinc/11/31/99/179113199.db2.gz IHHQJRGRZPFNTB-ZNMIVQPWSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086171858 179243507 /nfs/dbraw/zinc/24/35/07/179243507.db2.gz LWLOSSPDDDOWHS-XUWVNRHRSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086172121 179244964 /nfs/dbraw/zinc/24/49/64/179244964.db2.gz BPWNBHVDIQHWJK-OAGGEKHMSA-N 2 1 267.461 2.035 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2CCNC[C@H]2c2ccccc2)CC1 ZINC000086177550 179246681 /nfs/dbraw/zinc/24/66/81/179246681.db2.gz HGXNQDMPMYQZTA-SFHVURJKSA-N 2 1 287.451 2.365 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCNC[C@H]2c2ccccc2)CC1 ZINC000086177550 179246682 /nfs/dbraw/zinc/24/66/82/179246682.db2.gz HGXNQDMPMYQZTA-SFHVURJKSA-N 2 1 287.451 2.365 10 0 CEAEMP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223181 179251907 /nfs/dbraw/zinc/25/19/07/179251907.db2.gz ACMYABMKFUEBPO-HZPDHXFCSA-N 2 1 279.472 2.181 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259229 179258117 /nfs/dbraw/zinc/25/81/17/179258117.db2.gz SOYSJAVPAJWXBN-CABCVRRESA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259217 179258454 /nfs/dbraw/zinc/25/84/54/179258454.db2.gz MYPFLPHGAWYLNW-OAGGEKHMSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259341 179258480 /nfs/dbraw/zinc/25/84/80/179258480.db2.gz RZVUWVANHKMODE-OWCLPIDISA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)[C@@H](CC)CN1 ZINC000086259182 179258573 /nfs/dbraw/zinc/25/85/73/179258573.db2.gz PZKVMVMFVBJFJP-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1CN(CC2CC[NH+](CC)CC2)[C@@H](CC)C[NH2+]1 ZINC000086259182 179258575 /nfs/dbraw/zinc/25/85/75/179258575.db2.gz PZKVMVMFVBJFJP-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[C@H]1CN[C@@H](C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261064 179260066 /nfs/dbraw/zinc/26/00/66/179260066.db2.gz LDCLFJYJWFZDJN-HZPDHXFCSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CCCC[NH+](C)C ZINC000086261064 179260069 /nfs/dbraw/zinc/26/00/69/179260069.db2.gz LDCLFJYJWFZDJN-HZPDHXFCSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260735 179260497 /nfs/dbraw/zinc/26/04/97/179260497.db2.gz ASKZXNSRNVONQU-CVEARBPZSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269672 179262315 /nfs/dbraw/zinc/26/23/15/179262315.db2.gz MFFDPGGKXWBQEK-OAHLLOKOSA-N 2 1 290.407 2.074 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269672 179262316 /nfs/dbraw/zinc/26/23/16/179262316.db2.gz MFFDPGGKXWBQEK-OAHLLOKOSA-N 2 1 290.407 2.074 10 0 CEAEMP Fc1ccccc1CC[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086285760 179263657 /nfs/dbraw/zinc/26/36/57/179263657.db2.gz YNGPCYAOVWKLAU-MRXNPFEDSA-N 2 1 262.372 2.442 10 0 CEAEMP Fc1ccccc1CC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086285760 179263659 /nfs/dbraw/zinc/26/36/59/179263659.db2.gz YNGPCYAOVWKLAU-MRXNPFEDSA-N 2 1 262.372 2.442 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287084 179264726 /nfs/dbraw/zinc/26/47/26/179264726.db2.gz GFMRCZKLCPPUPS-QPSCCSFWSA-N 2 1 254.418 2.264 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288765 179264813 /nfs/dbraw/zinc/26/48/13/179264813.db2.gz OZQFRHJIOZDSNF-INIZCTEOSA-N 2 1 259.397 2.088 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086288662 179264898 /nfs/dbraw/zinc/26/48/98/179264898.db2.gz GRYZHYVUWIYECD-XHSDSOJGSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC1(CC)C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288748 179265018 /nfs/dbraw/zinc/26/50/18/179265018.db2.gz HIPQJNMNERTPNO-UHFFFAOYSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259009 179256424 /nfs/dbraw/zinc/25/64/24/179256424.db2.gz JDZGONGKYRXWRD-HOTGVXAUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259009 179256427 /nfs/dbraw/zinc/25/64/27/179256427.db2.gz JDZGONGKYRXWRD-HOTGVXAUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)CC1 ZINC000086291521 179266457 /nfs/dbraw/zinc/26/64/57/179266457.db2.gz XWVUADHHSQAZLH-UHFFFAOYSA-N 3 1 279.472 2.326 10 0 CEAEMP CO[C@H]1CCC[C@H]1[N@H+]1CCC[NH2+][C@@H](CC(C)C)C1 ZINC000086293517 179267965 /nfs/dbraw/zinc/26/79/65/179267965.db2.gz YSVDFYUKRGOZQL-ZNMIVQPWSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](COC)C(C)C)C[C@@H]1C ZINC000086701583 179321641 /nfs/dbraw/zinc/32/16/41/179321641.db2.gz HMJZIHROSKUAQX-ZNMIVQPWSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C)CC1 ZINC000086847373 179356059 /nfs/dbraw/zinc/35/60/59/179356059.db2.gz HQOGJTHPXVTGKG-LSDHHAIUSA-N 2 1 253.434 2.064 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848963 179357846 /nfs/dbraw/zinc/35/78/46/179357846.db2.gz LGKBTLYMWVPZSW-KRWDZBQOSA-N 2 1 279.472 2.454 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848899 179357505 /nfs/dbraw/zinc/35/75/05/179357505.db2.gz ABLBTGWGTRIJCY-QLFBSQMISA-N 2 1 285.501 2.016 10 0 CEAEMP CCN(C(C)C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846702 179354341 /nfs/dbraw/zinc/35/43/41/179354341.db2.gz WRFQBZLZIQNIGL-OAHLLOKOSA-N 2 1 255.450 2.309 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846132 179355698 /nfs/dbraw/zinc/35/56/98/179355698.db2.gz NLXBATPBSAKLKI-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868232 179360382 /nfs/dbraw/zinc/36/03/82/179360382.db2.gz YRUNYKAQJAZGOX-OAHLLOKOSA-N 2 1 254.418 2.144 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000086850785 179358114 /nfs/dbraw/zinc/35/81/14/179358114.db2.gz RGDMNFABNSKQHI-ULQDDVLXSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000086850785 179358117 /nfs/dbraw/zinc/35/81/17/179358117.db2.gz RGDMNFABNSKQHI-ULQDDVLXSA-N 3 1 279.472 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000086850785 179358119 /nfs/dbraw/zinc/35/81/19/179358119.db2.gz RGDMNFABNSKQHI-ULQDDVLXSA-N 3 1 279.472 2.325 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000086850785 179358120 /nfs/dbraw/zinc/35/81/20/179358120.db2.gz RGDMNFABNSKQHI-ULQDDVLXSA-N 3 1 279.472 2.325 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000086850785 179358122 /nfs/dbraw/zinc/35/81/22/179358122.db2.gz RGDMNFABNSKQHI-ULQDDVLXSA-N 3 1 279.472 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850897 179358335 /nfs/dbraw/zinc/35/83/35/179358335.db2.gz DECOCIJKLLUPBV-HRCADAONSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC)CC2CC2)CC1 ZINC000086848839 179358355 /nfs/dbraw/zinc/35/83/55/179358355.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+](CC)CC2CC2)CC1 ZINC000086848839 179358358 /nfs/dbraw/zinc/35/83/58/179358358.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CN)([NH+](CC)CC2CC2)CC1 ZINC000086848839 179358360 /nfs/dbraw/zinc/35/83/60/179358360.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@H+](CC)CC2CC2)CC1 ZINC000086848839 179358361 /nfs/dbraw/zinc/35/83/61/179358361.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+](CC)CC2CC2)CC1 ZINC000086848839 179358363 /nfs/dbraw/zinc/35/83/63/179358363.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[C@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086920919 179367960 /nfs/dbraw/zinc/36/79/60/179367960.db2.gz IUMIFPZCPYTOBG-GJZGRUSLSA-N 2 1 254.418 2.003 10 0 CEAEMP C[C@@H]1CCC[C@@](O)(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000087052794 179388774 /nfs/dbraw/zinc/38/87/74/179388774.db2.gz WWZPCJDNCOMWSK-KFWWJZLASA-N 2 1 254.418 2.002 10 0 CEAEMP CCC1CCC(O)(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000087061566 179389408 /nfs/dbraw/zinc/38/94/08/179389408.db2.gz ZUPWTUYLRCNBLW-PCKAHOCUSA-N 2 1 268.445 2.392 10 0 CEAEMP CCC[NH2+][C@@H](CSCC)Cc1cc[nH+]c(N)c1 ZINC000087106097 179394846 /nfs/dbraw/zinc/39/48/46/179394846.db2.gz WYBLQGHEAZKBJA-GFCCVEGCSA-N 2 1 253.415 2.328 10 0 CEAEMP COCC[N@@H+](CCCC(C)(C)C[NH3+])[C@H](C)C1CC1 ZINC000087597958 179452248 /nfs/dbraw/zinc/45/22/48/179452248.db2.gz IKRRIPHDHQTCOJ-CYBMUJFWSA-N 2 1 256.434 2.498 10 0 CEAEMP COCc1nc(CNC[C@H]2CCCC[N@@H+](C)C2)cs1 ZINC000623655997 350075618 /nfs/dbraw/zinc/07/56/18/350075618.db2.gz KRCACRSMAJXDKV-GFCCVEGCSA-N 2 1 283.441 2.111 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](CC1CC1)C(C)C ZINC000090566559 180006454 /nfs/dbraw/zinc/00/64/54/180006454.db2.gz XOYCGEQBOMTKML-CABCVRRESA-N 2 1 254.418 2.121 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)s1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606790 180011480 /nfs/dbraw/zinc/01/14/80/180011480.db2.gz QPCIBYAHATZJQX-JQWIXIFHSA-N 2 1 274.817 2.197 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)s1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606790 180011484 /nfs/dbraw/zinc/01/14/84/180011484.db2.gz QPCIBYAHATZJQX-JQWIXIFHSA-N 2 1 274.817 2.197 10 0 CEAEMP COC(C[C@H](C[NH3+])[NH+]1CCC(C(C)(C)C)CC1)OC ZINC000090625291 180015707 /nfs/dbraw/zinc/01/57/07/180015707.db2.gz VUACCEHJCFGUAH-CYBMUJFWSA-N 2 1 272.433 2.081 10 0 CEAEMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000090694471 180026013 /nfs/dbraw/zinc/02/60/13/180026013.db2.gz MJIVMLHCMMNRHT-ARFHVFGLSA-N 2 1 266.429 2.408 10 0 CEAEMP C[N@@H+](CCC[C@@H]1CCCO1)CCC1CC[NH2+]CC1 ZINC000090694049 180026075 /nfs/dbraw/zinc/02/60/75/180026075.db2.gz MAVPXZYSMQZWOD-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP C[N@H+](CC[C@@H]1CCCC[NH2+]1)C[C@@H]1Cc2ccccc2O1 ZINC000090878904 180051613 /nfs/dbraw/zinc/05/16/13/180051613.db2.gz NHUNDBYEODSTGO-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C[C@@H]1Cc2ccccc2O1 ZINC000090878904 180051615 /nfs/dbraw/zinc/05/16/15/180051615.db2.gz NHUNDBYEODSTGO-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP c1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1)O2 ZINC000090878910 180052602 /nfs/dbraw/zinc/05/26/02/180052602.db2.gz SYYYYBYQEMVMLQ-IAGOWNOFSA-N 2 1 286.419 2.454 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@H+](CCC(N)=[NH2+])C1CC1)O2 ZINC000090898690 180058447 /nfs/dbraw/zinc/05/84/47/180058447.db2.gz NDUQHSQVSVCKLQ-AWEZNQCLSA-N 2 1 273.380 2.089 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@@H+](CCC(N)=[NH2+])C1CC1)O2 ZINC000090898690 180058448 /nfs/dbraw/zinc/05/84/48/180058448.db2.gz NDUQHSQVSVCKLQ-AWEZNQCLSA-N 2 1 273.380 2.089 10 0 CEAEMP CC[C@H]1CCCC[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958012 180074558 /nfs/dbraw/zinc/07/45/58/180074558.db2.gz CIFGTNZALPFXMZ-LBPRGKRZSA-N 2 1 253.415 2.409 10 0 CEAEMP C[C@H]1CC[C@H](C)[N@@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958811 180075408 /nfs/dbraw/zinc/07/54/08/180075408.db2.gz DMBPZBSTJMFWHH-QWRGUYRKSA-N 2 1 253.415 2.265 10 0 CEAEMP Cc1[nH+]ccn1CCn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004382 180084088 /nfs/dbraw/zinc/08/40/88/180084088.db2.gz HWAAVRNHIJCXBO-UHFFFAOYSA-N 2 1 260.385 2.439 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2cccc2C[C@H](C)[NH3+])c1C ZINC000091005276 180084835 /nfs/dbraw/zinc/08/48/35/180084835.db2.gz KQNLIPBGIOJTDD-LBPRGKRZSA-N 2 1 273.380 2.447 10 0 CEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019754 180088193 /nfs/dbraw/zinc/08/81/93/180088193.db2.gz AIXBXWJPZJSOMR-VXGBXAGGSA-N 2 1 258.369 2.122 10 0 CEAEMP C[N@@H+](Cc1c[nH]c2ncccc12)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091019879 180088240 /nfs/dbraw/zinc/08/82/40/180088240.db2.gz SGAQWIKMCNZDRF-RISCZKNCSA-N 2 1 258.369 2.122 10 0 CEAEMP CC(C)[NH+](CCNC(=O)c1csc([C@H](C)[NH3+])n1)C(C)C ZINC000090945407 180069254 /nfs/dbraw/zinc/06/92/54/180069254.db2.gz NJEQCMSTVTYPRB-NSHDSACASA-N 2 1 298.456 2.011 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091430838 180153670 /nfs/dbraw/zinc/15/36/70/180153670.db2.gz UINPLEOOCNNMGH-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091489420 180169270 /nfs/dbraw/zinc/16/92/70/180169270.db2.gz ANYGYRIZINNXOM-PVNJOJHASA-N 2 1 268.445 2.103 10 0 CEAEMP CC(C)C[C@@H](C[NH3+])CC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091395606 180146467 /nfs/dbraw/zinc/14/64/67/180146467.db2.gz NKSNVKXYKZVQKL-GJZGRUSLSA-N 2 1 255.450 2.024 10 0 CEAEMP CC(C)C[C@@H](C[NH3+])CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091395606 180146468 /nfs/dbraw/zinc/14/64/68/180146468.db2.gz NKSNVKXYKZVQKL-GJZGRUSLSA-N 2 1 255.450 2.024 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+](CCCOC)CCOC ZINC000091403771 180146997 /nfs/dbraw/zinc/14/69/97/180146997.db2.gz TUJYYDOAEGZVTO-OAHLLOKOSA-N 2 1 288.476 2.386 10 0 CEAEMP C[C@@H]([NH3+])C(C)(C)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000091402334 180147036 /nfs/dbraw/zinc/14/70/36/180147036.db2.gz SQNMBLVWNVTMDI-GDBMZVCRSA-N 2 1 275.440 2.349 10 0 CEAEMP C[C@@H]([NH3+])C(C)(C)C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000091402334 180147039 /nfs/dbraw/zinc/14/70/39/180147039.db2.gz SQNMBLVWNVTMDI-GDBMZVCRSA-N 2 1 275.440 2.349 10 0 CEAEMP C[C@@H]([NH3+])C(C)(C)C[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000091402334 180147040 /nfs/dbraw/zinc/14/70/40/180147040.db2.gz SQNMBLVWNVTMDI-GDBMZVCRSA-N 2 1 275.440 2.349 10 0 CEAEMP CCc1cc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000091564525 180193158 /nfs/dbraw/zinc/19/31/58/180193158.db2.gz UVQWADLUJHVZDQ-HNNXBMFYSA-N 2 1 278.444 2.117 10 0 CEAEMP CC[C@](C)([C@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609748 180204995 /nfs/dbraw/zinc/20/49/95/180204995.db2.gz LHRNBRIKZZXRPL-DOTOQJQBSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)N(CC)CC ZINC000091531682 180180662 /nfs/dbraw/zinc/18/06/62/180180662.db2.gz JELLZRXBEUMMPR-OAHLLOKOSA-N 2 1 278.444 2.305 10 0 CEAEMP CCc1cc(C[C@@H]([NH2+]C)C(C)(C)[NH+]2CCCC2)n(CC)n1 ZINC000091534706 180182341 /nfs/dbraw/zinc/18/23/41/180182341.db2.gz ZIGPYBOXNFCXLR-MRXNPFEDSA-N 2 1 292.471 2.470 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(C)nn1C)C(C)(C)[NH+]1CCCC1 ZINC000091535607 180182420 /nfs/dbraw/zinc/18/24/20/180182420.db2.gz TURLUKXJFHENFY-OAHLLOKOSA-N 2 1 278.444 2.124 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(CC)c1)C1([NH+](C)C)CCCC1 ZINC000091638004 180212305 /nfs/dbraw/zinc/21/23/05/180212305.db2.gz NTBQRYFDXNUYPL-OAHLLOKOSA-N 2 1 278.444 2.298 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cc[nH+]c(N)c1 ZINC000091716752 180232295 /nfs/dbraw/zinc/23/22/95/180232295.db2.gz VHPQSDZHJKEVGF-HNNXBMFYSA-N 3 1 278.444 2.306 10 0 CEAEMP CCCCCC[C@H]([NH2+]C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720887 180236761 /nfs/dbraw/zinc/23/67/61/180236761.db2.gz IJUJVAXUZAYWHK-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCCCCC[C@H]([NH2+]C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720887 180236762 /nfs/dbraw/zinc/23/67/62/180236762.db2.gz IJUJVAXUZAYWHK-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]([C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000091722163 180240384 /nfs/dbraw/zinc/24/03/84/180240384.db2.gz WGFXBSIQLGWPNR-MGPQQGTHSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@H]([C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000091722163 180240385 /nfs/dbraw/zinc/24/03/85/180240385.db2.gz WGFXBSIQLGWPNR-MGPQQGTHSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[N@@H+]([C@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091852328 180272935 /nfs/dbraw/zinc/27/29/35/180272935.db2.gz LMUXXHDEDAUTFD-VQCLRJIVSA-N 2 1 295.471 2.416 10 0 CEAEMP CCC[N@@H+](Cc1cnn(CC)c1)C1CCC([NH3+])CC1 ZINC000091852542 180273138 /nfs/dbraw/zinc/27/31/38/180273138.db2.gz SHYUFZXEXQHPRI-UHFFFAOYSA-N 2 1 264.417 2.385 10 0 CEAEMP Cc1cc(C)n2cc(C[N@H+](C)C3CCC([NH3+])CC3)nc2n1 ZINC000091846615 180270249 /nfs/dbraw/zinc/27/02/49/180270249.db2.gz WAILMBISTCCOCT-UHFFFAOYSA-N 2 1 287.411 2.048 10 0 CEAEMP CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000091850926 180272250 /nfs/dbraw/zinc/27/22/50/180272250.db2.gz HDTVUGVSRRNCDJ-UHFFFAOYSA-N 2 1 293.386 2.356 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)N2CCCC2)CC1 ZINC000091870156 180277141 /nfs/dbraw/zinc/27/71/41/180277141.db2.gz YVBRRDZUWZYNBZ-FHERZECASA-N 2 1 295.471 2.240 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000091870579 180277218 /nfs/dbraw/zinc/27/72/18/180277218.db2.gz VKHKEQZHEGUIDQ-YMAMQOFZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCNC(=O)[C@@H](C)[N@@H+](C)C1CCC([NH2+]CCC)CC1 ZINC000091870162 180277562 /nfs/dbraw/zinc/27/75/62/180277562.db2.gz QUEQLLPADVXQOG-WLYUNCDWSA-N 2 1 283.460 2.144 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2cccc([C@@H](C)[NH2+]C)c2)C1 ZINC000092051134 180312630 /nfs/dbraw/zinc/31/26/30/180312630.db2.gz HSEQMUJWDNXIJR-CZUORRHYSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2cccc([C@@H](C)[NH2+]C)c2)C1 ZINC000092051134 180312634 /nfs/dbraw/zinc/31/26/34/180312634.db2.gz HSEQMUJWDNXIJR-CZUORRHYSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[C@@H]([NH3+])Cc1cccc(OC[C@@H]2C[N@H+](CC)CCO2)c1 ZINC000092060666 180315436 /nfs/dbraw/zinc/31/54/36/180315436.db2.gz YOOJVCRPVNRIDS-WBVHZDCISA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@@H]([NH3+])Cc1cccc(OC[C@@H]2C[N@@H+](CC)CCO2)c1 ZINC000092060666 180315437 /nfs/dbraw/zinc/31/54/37/180315437.db2.gz YOOJVCRPVNRIDS-WBVHZDCISA-N 2 1 292.423 2.066 10 0 CEAEMP CC[NH2+]Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)oc1C ZINC000092003663 180304255 /nfs/dbraw/zinc/30/42/55/180304255.db2.gz MTXIRBRPRVIHTB-CVEARBPZSA-N 2 1 291.439 2.366 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000092622489 180417100 /nfs/dbraw/zinc/41/71/00/180417100.db2.gz JOBPSPHGWJDNMD-JKSUJKDBSA-N 2 1 261.413 2.021 10 0 CEAEMP CN(c1cc(C[NH3+])nc2ccccc21)[C@H]1CCC[N@@H+](C)C1 ZINC000109589457 186265241 /nfs/dbraw/zinc/26/52/41/186265241.db2.gz JWOASJGSOYDHMG-AWEZNQCLSA-N 2 1 284.407 2.224 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000109604108 186267963 /nfs/dbraw/zinc/26/79/63/186267963.db2.gz IQFWQAKTEMMGDY-HNNXBMFYSA-N 2 1 276.380 2.063 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCC[N@@H+](C)CC1CCCC1)C(N)=O ZINC000110840539 186328738 /nfs/dbraw/zinc/32/87/38/186328738.db2.gz QVTNHPUCLAWLBO-INIZCTEOSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705351 186314480 /nfs/dbraw/zinc/31/44/80/186314480.db2.gz UJLDCNCYDYXQKQ-DZGCQCFKSA-N 2 1 279.428 2.392 10 0 CEAEMP CCC[NH2+][C@H](CC)[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717319 186315364 /nfs/dbraw/zinc/31/53/64/186315364.db2.gz LOPSNTGOPZMZNJ-UONOGXRCSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1CN(Cc2cc([C@@H](C)[NH3+])ccc2OC)CC[N@H+]1C ZINC000110715892 186315756 /nfs/dbraw/zinc/31/57/56/186315756.db2.gz POBOHOGLWODHEK-CZUORRHYSA-N 2 1 291.439 2.241 10 0 CEAEMP Cc1cc(C)cc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110711452 186315868 /nfs/dbraw/zinc/31/58/68/186315868.db2.gz VZJAKANWMPFZMD-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP Cc1ccc(C)c([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110711442 186316031 /nfs/dbraw/zinc/31/60/31/186316031.db2.gz WCESVDOIHQBCRX-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717144 186316105 /nfs/dbraw/zinc/31/61/05/186316105.db2.gz IMFONBICKLPSAG-GOEBONIOSA-N 2 1 275.440 2.362 10 0 CEAEMP CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000110715472 186316401 /nfs/dbraw/zinc/31/64/01/186316401.db2.gz SDTRWNKZAFAXIY-QLFBSQMISA-N 2 1 253.434 2.063 10 0 CEAEMP CC[C@H]1CN(CCC[NH2+]C2CCCCC2)CC[N@H+]1C ZINC000110757046 186319928 /nfs/dbraw/zinc/31/99/28/186319928.db2.gz JWGNYCBBUVYOCB-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@H]1CN([C@@H](C)C[NH2+]C2CCCCC2)CC[N@H+]1C ZINC000110757037 186320526 /nfs/dbraw/zinc/32/05/26/186320526.db2.gz PEGPSTCALHIYCP-HOCLYGCPSA-N 2 1 267.461 2.323 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022621 186345241 /nfs/dbraw/zinc/34/52/41/186345241.db2.gz KKVYMNUIYIUOEB-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@H+](CC)CCOCC)on1 ZINC000111123666 186355244 /nfs/dbraw/zinc/35/52/44/186355244.db2.gz DVERWILZUBBZJR-UHFFFAOYSA-N 2 1 269.389 2.033 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)CCOCC)on1 ZINC000111123666 186355246 /nfs/dbraw/zinc/35/52/46/186355246.db2.gz DVERWILZUBBZJR-UHFFFAOYSA-N 2 1 269.389 2.033 10 0 CEAEMP CN(CCC[NH+](C)C)c1ccc(N)c2c[nH+]ccc21 ZINC000111132307 186356291 /nfs/dbraw/zinc/35/62/91/186356291.db2.gz JMNUBONYHPMLLO-UHFFFAOYSA-N 2 1 258.369 2.205 10 0 CEAEMP CN(CCC[NH+](C)C)C[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000111136739 186357413 /nfs/dbraw/zinc/35/74/13/186357413.db2.gz OHNKOCAKXMTLFS-CQSZACIVSA-N 2 1 275.396 2.316 10 0 CEAEMP CCC[C@](C)(C[NH2+]C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171585 186364743 /nfs/dbraw/zinc/36/47/43/186364743.db2.gz KSSULESNWYZSJI-LSDHHAIUSA-N 2 1 256.434 2.371 10 0 CEAEMP C[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171870 186364873 /nfs/dbraw/zinc/36/48/73/186364873.db2.gz IHVGWLXUHXQWEY-SOUVJXGZSA-N 2 1 254.418 2.123 10 0 CEAEMP C[N@H+](CC[NH2+]CCC(C)(C)C)CC1CCOCC1 ZINC000111176932 186366006 /nfs/dbraw/zinc/36/60/06/186366006.db2.gz UGHPJSHUMZOASK-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP C[N@@H+](CC[NH2+]CCC(C)(C)C)CC1CCOCC1 ZINC000111176932 186366007 /nfs/dbraw/zinc/36/60/07/186366007.db2.gz UGHPJSHUMZOASK-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](C)CC2CC2)CCCOC1 ZINC000111326077 186398780 /nfs/dbraw/zinc/39/87/80/186398780.db2.gz FQDKUUPGGAELOK-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP CO[C@H]1C[N@H+](CCCOCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364192 351713081 /nfs/dbraw/zinc/71/30/81/351713081.db2.gz DNHGSJWMQYHJQF-SJORKVTESA-N 2 1 292.423 2.031 10 0 CEAEMP CO[C@H]1C[N@@H+](CCCOCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364192 351713084 /nfs/dbraw/zinc/71/30/84/351713084.db2.gz DNHGSJWMQYHJQF-SJORKVTESA-N 2 1 292.423 2.031 10 0 CEAEMP CO[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630363572 351713240 /nfs/dbraw/zinc/71/32/40/351713240.db2.gz BRPRCWUSDYMSML-FRRDWIJNSA-N 2 1 276.371 2.250 10 0 CEAEMP CO[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630363572 351713242 /nfs/dbraw/zinc/71/32/42/351713242.db2.gz BRPRCWUSDYMSML-FRRDWIJNSA-N 2 1 276.371 2.250 10 0 CEAEMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000070576806 363098519 /nfs/dbraw/zinc/09/85/19/363098519.db2.gz SJWLTQUGRVXCIV-GJZGRUSLSA-N 2 1 295.471 2.275 10 0 CEAEMP O[C@@H](C[NH2+][C@H]1CCc2ccccc21)C[NH+]1CCCCC1 ZINC000151267964 366634332 /nfs/dbraw/zinc/63/43/32/366634332.db2.gz XEWQHMFVPSDGGS-RDJZCZTQSA-N 2 1 274.408 2.110 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151340622 366639807 /nfs/dbraw/zinc/63/98/07/366639807.db2.gz MSCPQLCXQXRJNJ-NVXWUHKLSA-N 2 1 276.424 2.492 10 0 CEAEMP Cc1csc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000275548634 193072060 /nfs/dbraw/zinc/07/20/60/193072060.db2.gz NFXDXPFLRDKIFT-NSHDSACASA-N 2 1 262.382 2.000 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000631839128 367579303 /nfs/dbraw/zinc/57/93/03/367579303.db2.gz AQTPKEWWXNATHD-RISCZKNCSA-N 2 1 273.355 2.401 10 0 CEAEMP CSCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434076 367743056 /nfs/dbraw/zinc/74/30/56/367743056.db2.gz JHEGFEVVHPYMDD-CYBMUJFWSA-N 2 1 265.426 2.487 10 0 CEAEMP CSCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434076 367743061 /nfs/dbraw/zinc/74/30/61/367743061.db2.gz JHEGFEVVHPYMDD-CYBMUJFWSA-N 2 1 265.426 2.487 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000634576585 368726076 /nfs/dbraw/zinc/72/60/76/368726076.db2.gz VIDMNOYCLXHQAW-ZBFHGGJFSA-N 2 1 276.424 2.115 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C[NH3+] ZINC000634999025 369031046 /nfs/dbraw/zinc/03/10/46/369031046.db2.gz OZDFCFMVIMNFBE-WFASDCNBSA-N 2 1 274.408 2.427 10 0 CEAEMP FC(F)COCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000189367384 369506302 /nfs/dbraw/zinc/50/63/02/369506302.db2.gz KGVDLCQGEYSETP-LBPRGKRZSA-N 2 1 285.338 2.097 10 0 CEAEMP COCCCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195284069 370122598 /nfs/dbraw/zinc/12/25/98/370122598.db2.gz UBDAKXVRIIUSPG-QGZVFWFLSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284069 370122603 /nfs/dbraw/zinc/12/26/03/370122603.db2.gz UBDAKXVRIIUSPG-QGZVFWFLSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284069 370122611 /nfs/dbraw/zinc/12/26/11/370122611.db2.gz UBDAKXVRIIUSPG-QGZVFWFLSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284069 370122616 /nfs/dbraw/zinc/12/26/16/370122616.db2.gz UBDAKXVRIIUSPG-QGZVFWFLSA-N 2 1 291.439 2.262 10 0 CEAEMP COCCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195284069 370122623 /nfs/dbraw/zinc/12/26/23/370122623.db2.gz UBDAKXVRIIUSPG-QGZVFWFLSA-N 2 1 291.439 2.262 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231668626 370485938 /nfs/dbraw/zinc/48/59/38/370485938.db2.gz MHGRXQUQKFMQFC-HNNXBMFYSA-N 2 1 293.386 2.228 10 0 CEAEMP CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248650257 371230167 /nfs/dbraw/zinc/23/01/67/371230167.db2.gz LXDMCDGOSQYJHO-SJORKVTESA-N 2 1 298.471 2.114 10 0 CEAEMP [NH3+]C1CCN(C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000253565712 371530393 /nfs/dbraw/zinc/53/03/93/371530393.db2.gz IBIOOIHKRUQSMZ-QGZVFWFLSA-N 2 1 273.424 2.074 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261588177 371664448 /nfs/dbraw/zinc/66/44/48/371664448.db2.gz KAWQKENHNMRJPA-BPUTZDHNSA-N 2 1 260.381 2.254 10 0 CEAEMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261591167 371667157 /nfs/dbraw/zinc/66/71/57/371667157.db2.gz LSJRUEXVVVLBGM-QEJZJMRPSA-N 2 1 260.381 2.173 10 0 CEAEMP O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262025076 371804098 /nfs/dbraw/zinc/80/40/98/371804098.db2.gz WOCWNZYLNNRQDS-XJKSGUPXSA-N 2 1 296.361 2.072 10 0 CEAEMP CCc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000562956909 377034050 /nfs/dbraw/zinc/03/40/50/377034050.db2.gz ALFFBQLRXULOSF-PWSUYJOCSA-N 2 1 251.374 2.023 10 0 CEAEMP [NH3+]C1CCN(CC[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000092721346 184623195 /nfs/dbraw/zinc/62/31/95/184623195.db2.gz WVXHIALUSBZLGZ-UHFFFAOYSA-N 2 1 279.453 2.136 10 0 CEAEMP C[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](CC(C)C)C(C)C ZINC000093617866 184696840 /nfs/dbraw/zinc/69/68/40/184696840.db2.gz AQMRAQRFHPMTNG-HOTGVXAUSA-N 2 1 270.461 2.494 10 0 CEAEMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCSC1 ZINC000093678056 184704620 /nfs/dbraw/zinc/70/46/20/184704620.db2.gz MCASZGPITGDNFL-WTUNAVPPSA-N 2 1 254.443 2.344 10 0 CEAEMP CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]([NH+](CCC)CCC)C1 ZINC000093749173 184712795 /nfs/dbraw/zinc/71/27/95/184712795.db2.gz VADAMSPGAOQAHA-ZBFHGGJFSA-N 2 1 283.460 2.275 10 0 CEAEMP CC(C)[NH2+]Cc1csc(N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000094444616 184801246 /nfs/dbraw/zinc/80/12/46/184801246.db2.gz JFGQUGKBRKVNLS-CQSZACIVSA-N 2 1 294.468 2.316 10 0 CEAEMP Cc1[nH+]ccn1CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350350 184786983 /nfs/dbraw/zinc/78/69/83/184786983.db2.gz HUHZNDAROZDYLY-JTQLQIEISA-N 2 1 295.333 2.438 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000094462162 184805369 /nfs/dbraw/zinc/80/53/69/184805369.db2.gz GKNYDUFHRZUHEF-ICUGJSFKSA-N 2 1 291.483 2.466 10 0 CEAEMP C[C@@H](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354573 533611049 /nfs/dbraw/zinc/61/10/49/533611049.db2.gz AAJGSVPPXXTIAJ-XYJFISCASA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354573 533611055 /nfs/dbraw/zinc/61/10/55/533611055.db2.gz AAJGSVPPXXTIAJ-XYJFISCASA-N 3 1 289.467 2.485 10 0 CEAEMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354573 533611063 /nfs/dbraw/zinc/61/10/63/533611063.db2.gz AAJGSVPPXXTIAJ-XYJFISCASA-N 3 1 289.467 2.485 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000092957676 135077309 /nfs/dbraw/zinc/07/73/09/135077309.db2.gz FBORPFHERXNERL-HOTGVXAUSA-N 2 1 273.424 2.115 10 0 CEAEMP [NH3+]CCc1cc(F)c(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444545 135089069 /nfs/dbraw/zinc/08/90/69/135089069.db2.gz OWDDHAUALFNDHC-CYBMUJFWSA-N 2 1 295.377 2.141 10 0 CEAEMP [NH3+]CCc1cc(F)c(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444545 135089070 /nfs/dbraw/zinc/08/90/70/135089070.db2.gz OWDDHAUALFNDHC-CYBMUJFWSA-N 2 1 295.377 2.141 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261927635 153881208 /nfs/dbraw/zinc/88/12/08/153881208.db2.gz LDPWMPKMQJUANO-USXIJHARSA-N 2 1 296.418 2.350 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261927635 153881212 /nfs/dbraw/zinc/88/12/12/153881212.db2.gz LDPWMPKMQJUANO-USXIJHARSA-N 2 1 296.418 2.350 10 0 CEAEMP CCCN(c1cc[nH+]cc1Br)[C@H]1CC[NH2+]C1 ZINC000159899814 162320568 /nfs/dbraw/zinc/32/05/68/162320568.db2.gz HMJFYDCOTLXIMF-JTQLQIEISA-N 2 1 284.201 2.422 10 0 CEAEMP C[N@@H+](Cc1ccc(C[NH3+])cc1F)[C@@H]1CCSC1 ZINC000035725208 172379976 /nfs/dbraw/zinc/37/99/76/172379976.db2.gz BOJHIYPTHMMICF-GFCCVEGCSA-N 2 1 254.374 2.222 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000036128007 172448796 /nfs/dbraw/zinc/44/87/96/172448796.db2.gz MOLJSXNUMFBSPD-KBUPBQIOSA-N 2 1 254.418 2.393 10 0 CEAEMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508124 174302983 /nfs/dbraw/zinc/30/29/83/174302983.db2.gz CNGGNLWSVBAXBO-HRCADAONSA-N 2 1 295.471 2.097 10 0 CEAEMP CC[N@@H+](C1CCC2(CC1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747522 174392644 /nfs/dbraw/zinc/39/26/44/174392644.db2.gz QVSFOZCEOROHIV-MZBDJJRSSA-N 2 1 294.439 2.277 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818519 175113073 /nfs/dbraw/zinc/11/30/73/175113073.db2.gz VNROVPZVNPUKOT-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818215 175113359 /nfs/dbraw/zinc/11/33/59/175113359.db2.gz AEZCAXPCLFETHD-QGZVFWFLSA-N 2 1 275.440 2.201 10 0 CEAEMP CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043966765 175127838 /nfs/dbraw/zinc/12/78/38/175127838.db2.gz RDIATCDSOKCLMG-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043966765 175127839 /nfs/dbraw/zinc/12/78/39/175127839.db2.gz RDIATCDSOKCLMG-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](CCCOC)CCOC ZINC000043970917 175131715 /nfs/dbraw/zinc/13/17/15/175131715.db2.gz ROEQHZXISHVCCK-CABCVRRESA-N 2 1 274.449 2.138 10 0 CEAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](CCCOC)CCOC ZINC000043970917 175131716 /nfs/dbraw/zinc/13/17/16/175131716.db2.gz ROEQHZXISHVCCK-CABCVRRESA-N 2 1 274.449 2.138 10 0 CEAEMP CC[N@H+](Cc1ccccc1)[C@](C)(C[NH3+])CCOC ZINC000045043151 175294941 /nfs/dbraw/zinc/29/49/41/175294941.db2.gz YUBXSMWAIWSOQY-HNNXBMFYSA-N 2 1 250.386 2.262 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)[C@](C)(C[NH3+])CCOC ZINC000045043151 175294943 /nfs/dbraw/zinc/29/49/43/175294943.db2.gz YUBXSMWAIWSOQY-HNNXBMFYSA-N 2 1 250.386 2.262 10 0 CEAEMP C[C@@H](Cn1c(N)[nH+]c2cc(Cl)ccc21)[NH+](C)C ZINC000045108633 175308937 /nfs/dbraw/zinc/30/89/37/175308937.db2.gz QJZZFKQIPIFXJI-QMMMGPOBSA-N 2 1 252.749 2.222 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000045135557 175313650 /nfs/dbraw/zinc/31/36/50/175313650.db2.gz GBJQBZYWYYZCRI-OAHLLOKOSA-N 2 1 295.471 2.132 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1C ZINC000045171418 175321325 /nfs/dbraw/zinc/32/13/25/175321325.db2.gz HDNZNXUBUOVSEB-RISCZKNCSA-N 2 1 264.417 2.122 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000045173279 175322203 /nfs/dbraw/zinc/32/22/03/175322203.db2.gz VEKYBXXUVDSFMS-FUDCBSFHSA-N 2 1 262.401 2.052 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281680 175352490 /nfs/dbraw/zinc/35/24/90/175352490.db2.gz LLQXGIGEYKZPOP-INIZCTEOSA-N 2 1 283.460 2.131 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000045281680 175352491 /nfs/dbraw/zinc/35/24/91/175352491.db2.gz LLQXGIGEYKZPOP-INIZCTEOSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045370738 175364221 /nfs/dbraw/zinc/36/42/21/175364221.db2.gz ACAYFXADVJXAEZ-OAHLLOKOSA-N 2 1 271.449 2.132 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045372473 175364916 /nfs/dbraw/zinc/36/49/16/175364916.db2.gz NUOBZJBIGVWEOU-KRWDZBQOSA-N 2 1 295.471 2.417 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378093 175367604 /nfs/dbraw/zinc/36/76/04/175367604.db2.gz LGPXAUKBZFLYDJ-HNNXBMFYSA-N 2 1 272.433 2.427 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378093 175367606 /nfs/dbraw/zinc/36/76/06/175367606.db2.gz LGPXAUKBZFLYDJ-HNNXBMFYSA-N 2 1 272.433 2.427 10 0 CEAEMP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383877 175371032 /nfs/dbraw/zinc/37/10/32/175371032.db2.gz QDRJOADOKOWVBW-HNNXBMFYSA-N 2 1 272.433 2.427 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383877 175371033 /nfs/dbraw/zinc/37/10/33/175371033.db2.gz QDRJOADOKOWVBW-HNNXBMFYSA-N 2 1 272.433 2.427 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CC)C(=O)OCC ZINC000045382892 175371076 /nfs/dbraw/zinc/37/10/76/175371076.db2.gz YHSJOUQHNHXWMG-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CC)C(=O)OCC ZINC000045382892 175371077 /nfs/dbraw/zinc/37/10/77/175371077.db2.gz YHSJOUQHNHXWMG-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)[C@@H](C)CC)[NH2+]C ZINC000045385467 175371999 /nfs/dbraw/zinc/37/19/99/175371999.db2.gz PAGHWOYZLIUHSN-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)[C@@H](C)CC)[NH2+]C ZINC000045385467 175372000 /nfs/dbraw/zinc/37/20/00/175372000.db2.gz PAGHWOYZLIUHSN-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045387490 175373107 /nfs/dbraw/zinc/37/31/07/175373107.db2.gz CUXPBAHTWKRCCV-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](CC)C1CC1)[NH2+]C ZINC000045386352 175373154 /nfs/dbraw/zinc/37/31/54/175373154.db2.gz BPJOLEVJCCGIJI-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C1CC1)[NH2+]C ZINC000045386352 175373156 /nfs/dbraw/zinc/37/31/56/175373156.db2.gz BPJOLEVJCCGIJI-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390522 175374416 /nfs/dbraw/zinc/37/44/16/175374416.db2.gz TUSGQWBDBDBPNU-KRWDZBQOSA-N 2 1 295.471 2.417 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393021 175375934 /nfs/dbraw/zinc/37/59/34/175375934.db2.gz NXTMYCZEJILZOA-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393021 175375935 /nfs/dbraw/zinc/37/59/35/175375935.db2.gz NXTMYCZEJILZOA-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419975 175377819 /nfs/dbraw/zinc/37/78/19/175377819.db2.gz CCRHJZJDIAOQQH-MRXNPFEDSA-N 2 1 284.444 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419975 175377821 /nfs/dbraw/zinc/37/78/21/175377821.db2.gz CCRHJZJDIAOQQH-MRXNPFEDSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000070359415 175889080 /nfs/dbraw/zinc/88/90/80/175889080.db2.gz SFASATPXHGOJJT-ZNMIVQPWSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CO)CCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000070514060 175962843 /nfs/dbraw/zinc/96/28/43/175962843.db2.gz BQSNBQKWGKHMJZ-JKSUJKDBSA-N 2 1 286.460 2.017 10 0 CEAEMP CC(C)[N@@H+](CCC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071044746 176029718 /nfs/dbraw/zinc/02/97/18/176029718.db2.gz LVZBKLAWOZSQMR-INIZCTEOSA-N 2 1 262.397 2.360 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+](CCCOC)CCOC)C1 ZINC000071124067 176035126 /nfs/dbraw/zinc/03/51/26/176035126.db2.gz TUXQLLNNEBOSBD-CVEARBPZSA-N 2 1 286.460 2.269 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000071124573 176035142 /nfs/dbraw/zinc/03/51/42/176035142.db2.gz QIHSMIDZQGRVHL-BZUAXINKSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124162 176035344 /nfs/dbraw/zinc/03/53/44/176035344.db2.gz MESIQKMBIZHTJN-ARFHVFGLSA-N 2 1 286.460 2.267 10 0 CEAEMP CC[C@H]1COCC[N@@H+]1[C@@]1(C[NH3+])CCCC[C@@H]1CC ZINC000071161689 176046236 /nfs/dbraw/zinc/04/62/36/176046236.db2.gz WHCHSEOSVDJAHB-SOUVJXGZSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1COCC[N@H+]1[C@@]1(C[NH3+])CCCC[C@@H]1CC ZINC000071161689 176046238 /nfs/dbraw/zinc/04/62/38/176046238.db2.gz WHCHSEOSVDJAHB-SOUVJXGZSA-N 2 1 254.418 2.395 10 0 CEAEMP Cc1cccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071187913 176061302 /nfs/dbraw/zinc/06/13/02/176061302.db2.gz JQYAHXUVHKKJRQ-UXLLHSPISA-N 2 1 275.440 2.267 10 0 CEAEMP C[N@H+](Cc1ccc(N)c2cccnc12)C[C@H]1CC[NH+](C)C1 ZINC000071187806 176062110 /nfs/dbraw/zinc/06/21/10/176062110.db2.gz AXVPOPZFUSXDGQ-ZDUSSCGKSA-N 2 1 284.407 2.201 10 0 CEAEMP C[NH+](Cc1ccc(N)c2cccnc12)C[C@H]1CC[N@H+](C)C1 ZINC000071187806 176062111 /nfs/dbraw/zinc/06/21/11/176062111.db2.gz AXVPOPZFUSXDGQ-ZDUSSCGKSA-N 2 1 284.407 2.201 10 0 CEAEMP C[NH+](Cc1ccc(N)c2cccnc12)C[C@H]1CC[N@@H+](C)C1 ZINC000071187806 176062112 /nfs/dbraw/zinc/06/21/12/176062112.db2.gz AXVPOPZFUSXDGQ-ZDUSSCGKSA-N 2 1 284.407 2.201 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188087 176062275 /nfs/dbraw/zinc/06/22/75/176062275.db2.gz OHVYRORCZCWICR-KBRIMQKVSA-N 2 1 293.430 2.488 10 0 CEAEMP CCC1CCC(C[NH3+])(N(C)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000071188563 176062538 /nfs/dbraw/zinc/06/25/38/176062538.db2.gz IEYPIJMLPHYKOZ-PCKAHOCUSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188780 176063318 /nfs/dbraw/zinc/06/33/18/176063318.db2.gz ARTXEKGNDIEQGU-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H]1CCCCCC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189001 176064644 /nfs/dbraw/zinc/06/46/44/176064644.db2.gz JZKBBHAOMRZYLG-PMPSAXMXSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H](C)c1ccccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189415 176064815 /nfs/dbraw/zinc/06/48/15/176064815.db2.gz PRNDLXBZCIPGKE-ZIAGYGMSSA-N 2 1 261.413 2.355 10 0 CEAEMP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000071191266 176069806 /nfs/dbraw/zinc/06/98/06/176069806.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 2 1 293.430 2.360 10 0 CEAEMP CC[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191643 176070028 /nfs/dbraw/zinc/07/00/28/176070028.db2.gz VUQGPMKBXRVUSZ-HNNXBMFYSA-N 2 1 290.455 2.196 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191376 176070605 /nfs/dbraw/zinc/07/06/05/176070605.db2.gz KGFLDFOJWAAJTR-BZUAXINKSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC[NH2+]C[C@@](C)(CC)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191480 176070662 /nfs/dbraw/zinc/07/06/62/176070662.db2.gz GBBAHFDXDUYPFL-HZPDHXFCSA-N 2 1 269.477 2.286 10 0 CEAEMP CC[NH2+]Cc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000071192035 176072559 /nfs/dbraw/zinc/07/25/59/176072559.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 2 1 279.428 2.081 10 0 CEAEMP C[N@@H+](CCCC[NH2+]C(C)(C)C)C[C@@H]1CC[NH+](C)C1 ZINC000071191978 176072631 /nfs/dbraw/zinc/07/26/31/176072631.db2.gz ZWYDLHLBXSWCJS-AWEZNQCLSA-N 3 1 255.450 2.038 10 0 CEAEMP C[NH+](CCCC[NH2+]C(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191978 176072632 /nfs/dbraw/zinc/07/26/32/176072632.db2.gz ZWYDLHLBXSWCJS-AWEZNQCLSA-N 3 1 255.450 2.038 10 0 CEAEMP C[NH+](CCCC[NH2+]C(C)(C)C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191978 176072633 /nfs/dbraw/zinc/07/26/33/176072633.db2.gz ZWYDLHLBXSWCJS-AWEZNQCLSA-N 3 1 255.450 2.038 10 0 CEAEMP CN1CC[C@@H](C[N@H+](C)CCCC[NH2+]C(C)(C)C)C1 ZINC000071191978 176072634 /nfs/dbraw/zinc/07/26/34/176072634.db2.gz ZWYDLHLBXSWCJS-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CN1CC[C@@H](C[N@@H+](C)CCCC[NH2+]C(C)(C)C)C1 ZINC000071191978 176072635 /nfs/dbraw/zinc/07/26/35/176072635.db2.gz ZWYDLHLBXSWCJS-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CN(Cc1oc2ccccc2c1C[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071191818 176072750 /nfs/dbraw/zinc/07/27/50/176072750.db2.gz WTPKTWWDIWMWIH-ZDUSSCGKSA-N 2 1 287.407 2.275 10 0 CEAEMP C[N@@H+](Cc1oc2ccccc2c1C[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071191818 176072752 /nfs/dbraw/zinc/07/27/52/176072752.db2.gz WTPKTWWDIWMWIH-ZDUSSCGKSA-N 3 1 287.407 2.275 10 0 CEAEMP C[N@H+](Cc1oc2ccccc2c1C[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071191818 176072754 /nfs/dbraw/zinc/07/27/54/176072754.db2.gz WTPKTWWDIWMWIH-ZDUSSCGKSA-N 3 1 287.407 2.275 10 0 CEAEMP C[NH+](Cc1oc2ccccc2c1C[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071191818 176072755 /nfs/dbraw/zinc/07/27/55/176072755.db2.gz WTPKTWWDIWMWIH-ZDUSSCGKSA-N 3 1 287.407 2.275 10 0 CEAEMP C[NH+](Cc1oc2ccccc2c1C[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071191818 176072756 /nfs/dbraw/zinc/07/27/56/176072756.db2.gz WTPKTWWDIWMWIH-ZDUSSCGKSA-N 3 1 287.407 2.275 10 0 CEAEMP CCCCC[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192315 176073108 /nfs/dbraw/zinc/07/31/08/176073108.db2.gz RRNUBTORHAYVRF-LSDHHAIUSA-N 2 1 255.450 2.038 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000071192593 176074822 /nfs/dbraw/zinc/07/48/22/176074822.db2.gz PFGUZSUEAURECF-LLVKDONJSA-N 2 1 296.484 2.287 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071198143 176077071 /nfs/dbraw/zinc/07/70/71/176077071.db2.gz DAMUJNZFZZQYCL-WBVHZDCISA-N 2 1 279.472 2.467 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1ccc(C)c(C)c1 ZINC000071228908 176091060 /nfs/dbraw/zinc/09/10/60/176091060.db2.gz NDUXIRQVUIGHDP-UHFFFAOYSA-N 2 1 263.385 2.078 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccc(C)c(C)c1 ZINC000071228908 176091062 /nfs/dbraw/zinc/09/10/62/176091062.db2.gz NDUXIRQVUIGHDP-UHFFFAOYSA-N 2 1 263.385 2.078 10 0 CEAEMP C(CCCN1CCC[N@H+]2CCC[C@@H]2C1)CC[NH2+]C1CC1 ZINC000071289934 176110243 /nfs/dbraw/zinc/11/02/43/176110243.db2.gz JOBQLMKRHXSNDQ-QGZVFWFLSA-N 2 1 279.472 2.469 10 0 CEAEMP CCC[C@H](CC[NH3+])CCC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000079242358 177454910 /nfs/dbraw/zinc/45/49/10/177454910.db2.gz AEQBFEYMVXUHAH-AWEZNQCLSA-N 2 1 283.460 2.084 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136407897 419446543 /nfs/dbraw/zinc/44/65/43/419446543.db2.gz YXBQZFSKXZQOSR-INIZCTEOSA-N 2 1 297.487 2.330 10 0 CEAEMP C[C@@H]1CN(c2cc[nH+]cc2Br)C[C@@H]1[NH+](C)C ZINC000135105430 278808834 /nfs/dbraw/zinc/80/88/34/278808834.db2.gz MSJAPXLUFQITFZ-SKDRFNHKSA-N 2 1 284.201 2.230 10 0 CEAEMP CCc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000562956910 298725223 /nfs/dbraw/zinc/72/52/23/298725223.db2.gz ALFFBQLRXULOSF-ZYHUDNBSSA-N 2 1 251.374 2.023 10 0 CEAEMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219031 314253767 /nfs/dbraw/zinc/25/37/67/314253767.db2.gz UUAIHGDLDFVKIB-BZUAXINKSA-N 3 1 267.461 2.086 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccoc2)O1 ZINC000052545678 519723813 /nfs/dbraw/zinc/72/38/13/519723813.db2.gz BGTOKZUTVRYKMU-LSDHHAIUSA-N 2 1 266.385 2.257 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068647049 519740111 /nfs/dbraw/zinc/74/01/11/519740111.db2.gz LHLQFXLSEVCJBR-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068647049 519740112 /nfs/dbraw/zinc/74/01/12/519740112.db2.gz LHLQFXLSEVCJBR-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[C@@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@H+]1C ZINC000052205963 519793602 /nfs/dbraw/zinc/79/36/02/519793602.db2.gz RIQSVBVMTPUGLX-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205963 519793603 /nfs/dbraw/zinc/79/36/03/519793603.db2.gz RIQSVBVMTPUGLX-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052205963 519793604 /nfs/dbraw/zinc/79/36/04/519793604.db2.gz RIQSVBVMTPUGLX-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCOC ZINC000054601926 519907826 /nfs/dbraw/zinc/90/78/26/519907826.db2.gz ZXDLDMRMFFEBMI-GOOCMWNKSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCOC ZINC000054601926 519907828 /nfs/dbraw/zinc/90/78/28/519907828.db2.gz ZXDLDMRMFFEBMI-GOOCMWNKSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC000052573523 519919820 /nfs/dbraw/zinc/91/98/20/519919820.db2.gz VHCXBAURUFDMKJ-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(C)o2)O1 ZINC000052455887 519953027 /nfs/dbraw/zinc/95/30/27/519953027.db2.gz ZTUXBZUPZNZGFM-DZGCQCFKSA-N 2 1 266.385 2.177 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068646979 520109625 /nfs/dbraw/zinc/10/96/25/520109625.db2.gz NQUBRKKVRNCPHE-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068646979 520109630 /nfs/dbraw/zinc/10/96/30/520109630.db2.gz NQUBRKKVRNCPHE-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623386 520111743 /nfs/dbraw/zinc/11/17/43/520111743.db2.gz RTEXMTWGPGLDNS-IJEWVQPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623386 520111749 /nfs/dbraw/zinc/11/17/49/520111749.db2.gz RTEXMTWGPGLDNS-IJEWVQPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000054560569 520121432 /nfs/dbraw/zinc/12/14/32/520121432.db2.gz SHSFZTOHFMOJOV-BFYDXBDKSA-N 2 1 282.472 2.494 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1ccccc1F ZINC000062740900 520515929 /nfs/dbraw/zinc/51/59/29/520515929.db2.gz DNMWJEMPKSAJGT-ZDUSSCGKSA-N 2 1 254.349 2.011 10 0 CEAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400489608 533968557 /nfs/dbraw/zinc/96/85/57/533968557.db2.gz YTJLXDAORYWNIO-SDDRHHMPSA-N 2 1 266.360 2.483 10 0 CEAEMP CC(C)[NH+]1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000052479967 519681557 /nfs/dbraw/zinc/68/15/57/519681557.db2.gz NLUHYIWYABYRKS-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507661 519745326 /nfs/dbraw/zinc/74/53/26/519745326.db2.gz DJFNAIBBOZQNMP-YESZJQIVSA-N 2 1 298.471 2.281 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+](CCN(C)C)CC(C)C ZINC000052503304 519745666 /nfs/dbraw/zinc/74/56/66/519745666.db2.gz JGBNNJZLZYIAJZ-INIZCTEOSA-N 2 1 271.493 2.388 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](CCN(C)C)CC(C)C ZINC000052503304 519745668 /nfs/dbraw/zinc/74/56/68/519745668.db2.gz JGBNNJZLZYIAJZ-INIZCTEOSA-N 2 1 271.493 2.388 10 0 CEAEMP CCCN1CC[NH+](CCCCC[NH2+]CC(C)C)CC1 ZINC000052421998 519857266 /nfs/dbraw/zinc/85/72/66/519857266.db2.gz CIRDYMQUXBVQGP-UHFFFAOYSA-N 2 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054629103 519908939 /nfs/dbraw/zinc/90/89/39/519908939.db2.gz NLLHRGXZVVRGCV-HNSVSWJLSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183016 519910754 /nfs/dbraw/zinc/91/07/54/519910754.db2.gz ZPTGNHDTCWARAM-LSDHHAIUSA-N 2 1 266.429 2.267 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)[C@@H]1CCCO1 ZINC000054628108 519911161 /nfs/dbraw/zinc/91/11/61/519911161.db2.gz NGKFLKSPHXWDGT-MNFFZHCASA-N 2 1 252.402 2.159 10 0 CEAEMP CC[NH2+]CCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417220 519919143 /nfs/dbraw/zinc/91/91/43/519919143.db2.gz CVVMFMJGBVOKNM-UHFFFAOYSA-N 2 1 292.423 2.452 10 0 CEAEMP CCC[NH2+]C[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000053701241 519934710 /nfs/dbraw/zinc/93/47/10/519934710.db2.gz YNEPADZWICPKDU-CQSZACIVSA-N 2 1 262.401 2.309 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673637 519938880 /nfs/dbraw/zinc/93/88/80/519938880.db2.gz VAWSIUHOWNFBBE-XHSDSOJGSA-N 2 1 284.444 2.035 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@@H+](C)CCOC)c1 ZINC000052572792 519954860 /nfs/dbraw/zinc/95/48/60/519954860.db2.gz OOKLLZGMPNFONA-UHFFFAOYSA-N 2 1 250.386 2.264 10 0 CEAEMP CCC[NH2+][C@@H](C[N@@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069075829 520008353 /nfs/dbraw/zinc/00/83/53/520008353.db2.gz NWOWHVPETJKHDT-ZFWWWQNUSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H](C[N@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069075829 520008348 /nfs/dbraw/zinc/00/83/48/520008348.db2.gz NWOWHVPETJKHDT-ZFWWWQNUSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000054560567 520219350 /nfs/dbraw/zinc/21/93/50/520219350.db2.gz SHSFZTOHFMOJOV-UXLLHSPISA-N 2 1 282.472 2.494 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637475 520233307 /nfs/dbraw/zinc/23/33/07/520233307.db2.gz WHLXKHOOGPHOIQ-YWIABWOTSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637475 520233313 /nfs/dbraw/zinc/23/33/13/520233313.db2.gz WHLXKHOOGPHOIQ-YWIABWOTSA-N 2 1 283.460 2.129 10 0 CEAEMP CCCO[C@H]1CCC[N@@H+](CC2(C[NH2+]CC)CCOCC2)C1 ZINC000052198033 520285275 /nfs/dbraw/zinc/28/52/75/520285275.db2.gz QEJZMFISRDKDTL-INIZCTEOSA-N 2 1 298.471 2.284 10 0 CEAEMP CCCC[N@@H+](CCn1cc(C[NH2+]CC)nn1)[C@@H](C)CC ZINC000052372709 520541713 /nfs/dbraw/zinc/54/17/13/520541713.db2.gz XBURUOCFSMQMHF-AWEZNQCLSA-N 2 1 281.448 2.288 10 0 CEAEMP CC[N@@H+](CCOC)Cc1occc1C[NH2+]CC(C)C ZINC000052542667 521138708 /nfs/dbraw/zinc/13/87/08/521138708.db2.gz UHXFOVAFJNQYEY-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP CC[N@H+](C[C@H]1CCCO1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052510504 521268698 /nfs/dbraw/zinc/26/86/98/521268698.db2.gz UAPRMCDDNQZOLZ-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052510504 521268707 /nfs/dbraw/zinc/26/87/07/521268707.db2.gz UAPRMCDDNQZOLZ-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1CCC[C@H]1CCCO ZINC000052763388 521439525 /nfs/dbraw/zinc/43/95/25/521439525.db2.gz KSLQULLVRDEPIO-AWEZNQCLSA-N 2 1 256.434 2.249 10 0 CEAEMP CCC(CC)(C[NH2+]C1CC1)C[NH+](CCOC)CCOC ZINC000051258315 521439483 /nfs/dbraw/zinc/43/94/83/521439483.db2.gz PNGRPXARMQNHMR-UHFFFAOYSA-N 2 1 286.460 2.140 10 0 CEAEMP COCC[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000052810542 521831888 /nfs/dbraw/zinc/83/18/88/521831888.db2.gz YIRYAOJRYHUULH-OAHLLOKOSA-N 2 1 250.386 2.261 10 0 CEAEMP COCC[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000052810542 521831898 /nfs/dbraw/zinc/83/18/98/521831898.db2.gz YIRYAOJRYHUULH-OAHLLOKOSA-N 2 1 250.386 2.261 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000053011978 522055414 /nfs/dbraw/zinc/05/54/14/522055414.db2.gz IJSLMBZXVLOVKO-HNNXBMFYSA-N 2 1 261.413 2.054 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1cc(C)c(C[NH3+])o1 ZINC000052547353 522092443 /nfs/dbraw/zinc/09/24/43/522092443.db2.gz KXVVVPDCRQKIGZ-GFCCVEGCSA-N 2 1 254.374 2.294 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000055083475 522118342 /nfs/dbraw/zinc/11/83/42/522118342.db2.gz GKQVBHPQHPUQQT-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@@H+](CCOC)CC(C)C)cc1 ZINC000052508577 522123155 /nfs/dbraw/zinc/12/31/55/522123155.db2.gz WOJIWMJNFZZRHY-UHFFFAOYSA-N 2 1 294.439 2.389 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1cccnc1 ZINC000052479543 522133615 /nfs/dbraw/zinc/13/36/15/522133615.db2.gz CXCNGOJYUUNZDT-UHFFFAOYSA-N 2 1 255.365 2.433 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653642 522377490 /nfs/dbraw/zinc/37/74/90/522377490.db2.gz SYTMSAZBGLXQJM-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653642 522377499 /nfs/dbraw/zinc/37/74/99/522377499.db2.gz SYTMSAZBGLXQJM-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648203 522417210 /nfs/dbraw/zinc/41/72/10/522417210.db2.gz PQVGRCANEKQHBI-KEYYUXOJSA-N 2 1 297.487 2.377 10 0 CEAEMP C[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648203 522417218 /nfs/dbraw/zinc/41/72/18/522417218.db2.gz PQVGRCANEKQHBI-KEYYUXOJSA-N 2 1 297.487 2.377 10 0 CEAEMP COC[C@H](C)[N@@H+](C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557117 522593298 /nfs/dbraw/zinc/59/32/98/522593298.db2.gz YNJSIYJJGYOIJD-NFOMZHRRSA-N 2 1 256.434 2.497 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401736 523285570 /nfs/dbraw/zinc/28/55/70/523285570.db2.gz HPMKCPZTHYFORT-HNNXBMFYSA-N 2 1 294.370 2.202 10 0 CEAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087179 523332375 /nfs/dbraw/zinc/33/23/75/523332375.db2.gz GWNUMXAELPDOJN-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571056 523350379 /nfs/dbraw/zinc/35/03/79/523350379.db2.gz RLTUJPFTXNLYBK-MFKMUULPSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571056 523350385 /nfs/dbraw/zinc/35/03/85/523350385.db2.gz RLTUJPFTXNLYBK-MFKMUULPSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571021 523514683 /nfs/dbraw/zinc/51/46/83/523514683.db2.gz OAECVRKDRFGJCE-GDBMZVCRSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571161 523517796 /nfs/dbraw/zinc/51/77/96/523517796.db2.gz OPRSWQVLAQBXBK-CZUORRHYSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[C@H](C)N1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064171 523957694 /nfs/dbraw/zinc/95/76/94/523957694.db2.gz ABWNVHQQXNHJNM-ARFHVFGLSA-N 2 1 267.461 2.310 10 0 CEAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761621 524131367 /nfs/dbraw/zinc/13/13/67/524131367.db2.gz OJJPPJXEIFUEHY-RISCZKNCSA-N 2 1 260.385 2.376 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@H+]1C ZINC000068812053 524664113 /nfs/dbraw/zinc/66/41/13/524664113.db2.gz RORHBMBAIXLTLA-JSGCOSHPSA-N 2 1 273.380 2.069 10 0 CEAEMP COc1cccc(C[N@H+](C)Cc2occc2C[NH3+])c1 ZINC000052372918 525916523 /nfs/dbraw/zinc/91/65/23/525916523.db2.gz QYAFPXAPVBLVHS-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP COc1cccc(C[N@@H+](C)Cc2occc2C[NH3+])c1 ZINC000052372918 525916530 /nfs/dbraw/zinc/91/65/30/525916530.db2.gz QYAFPXAPVBLVHS-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP Cc1oc(C[N@@H+]2CCCN(C)CC2)cc1C[NH2+]C(C)C ZINC000052424185 526772320 /nfs/dbraw/zinc/77/23/20/526772320.db2.gz WEXQYUJYTBXOGU-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP Cc1oc(C[N@H+]2CCCN(C)CC2)cc1C[NH2+]C(C)C ZINC000052424185 526772324 /nfs/dbraw/zinc/77/23/24/526772324.db2.gz WEXQYUJYTBXOGU-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP Cc1oc(CN2CCC[N@@H+](C)CC2)cc1C[NH2+]C(C)C ZINC000052424185 526772316 /nfs/dbraw/zinc/77/23/16/526772316.db2.gz WEXQYUJYTBXOGU-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000061675085 527145439 /nfs/dbraw/zinc/14/54/39/527145439.db2.gz OUFOPQXFHUHWLX-AGUYFDCRSA-N 2 1 274.364 2.260 10 0 CEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000061675085 527145445 /nfs/dbraw/zinc/14/54/45/527145445.db2.gz OUFOPQXFHUHWLX-AGUYFDCRSA-N 2 1 274.364 2.260 10 0 CEAEMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C[NH2+]C(C)(C)C ZINC000062738603 527598417 /nfs/dbraw/zinc/59/84/17/527598417.db2.gz URUMVJSOCYGBBK-UHFFFAOYSA-N 2 1 261.373 2.111 10 0 CEAEMP Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262037201 624315465 /nfs/dbraw/zinc/31/54/65/624315465.db2.gz YBEUBNVAKNOLKG-KURKYZTESA-N 2 1 288.435 2.284 10 0 CEAEMP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC000262480970 625177441 /nfs/dbraw/zinc/17/74/41/625177441.db2.gz JZDBPJYGDGMYAN-VBNZEHGJSA-N 2 1 298.386 2.271 10 0 CEAEMP Cc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000311831381 627702933 /nfs/dbraw/zinc/70/29/33/627702933.db2.gz PDHODLBDSJMHMH-ZNMIVQPWSA-N 2 1 260.381 2.043 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399066666 628773635 /nfs/dbraw/zinc/77/36/35/628773635.db2.gz BUOXVDWOEXDOSI-AWEZNQCLSA-N 2 1 262.397 2.102 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261628919 628952541 /nfs/dbraw/zinc/95/25/41/628952541.db2.gz FEMLKCQLKCXTLA-AEFFLSMTSA-N 2 1 298.434 2.211 10 0 CEAEMP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000262480963 631017925 /nfs/dbraw/zinc/01/79/25/631017925.db2.gz JZDBPJYGDGMYAN-APHBMKBZSA-N 2 1 298.386 2.271 10 0 CEAEMP C[NH+](C)C[C@@H]1OC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]12 ZINC000503717829 230429243 /nfs/dbraw/zinc/42/92/43/230429243.db2.gz PMMKSRXZXJDXCO-XIRDDKMYSA-N 2 1 292.398 2.224 10 0 CEAEMP c1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000228553359 539346900 /nfs/dbraw/zinc/34/69/00/539346900.db2.gz YAFJVZSSYLXNBE-MSOLQXFVSA-N 2 1 286.419 2.476 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576761 343793912 /nfs/dbraw/zinc/79/39/12/343793912.db2.gz JBOZRQSRCAQTKV-CVEARBPZSA-N 2 1 295.471 2.083 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]12 ZINC000312737344 344739783 /nfs/dbraw/zinc/73/97/83/344739783.db2.gz UOVFXAOYHPSRCN-NTZNESFSSA-N 2 1 294.782 2.238 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]12 ZINC000312737344 344739784 /nfs/dbraw/zinc/73/97/84/344739784.db2.gz UOVFXAOYHPSRCN-NTZNESFSSA-N 2 1 294.782 2.238 10 0 CEAEMP Nc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000306869213 344718488 /nfs/dbraw/zinc/71/84/88/344718488.db2.gz SJFVJIQFLPAAKI-CQSZACIVSA-N 2 1 268.364 2.350 10 0 CEAEMP CC[NH2+][C@@H](CCc1[nH+]ccn1C)COC(C)(C)C ZINC000097451750 185608890 /nfs/dbraw/zinc/60/88/90/185608890.db2.gz YHAAQYXNGFSUFY-LBPRGKRZSA-N 2 1 253.390 2.146 10 0 CEAEMP CC(C)NC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403508 179053142 /nfs/dbraw/zinc/05/31/42/179053142.db2.gz ZRKWABRFSZWVDY-GDBMZVCRSA-N 2 1 295.471 2.144 10 0 CEAEMP CCC[C@H]1C[NH2+][C@@H](CC)CN1CCn1cc[nH+]c1C ZINC000085472664 179077157 /nfs/dbraw/zinc/07/71/57/179077157.db2.gz ZZKZQVDRYQARBI-GJZGRUSLSA-N 2 1 264.417 2.044 10 0 CEAEMP CC(C)[N@@H+](C)CCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085570922 179095836 /nfs/dbraw/zinc/09/58/36/179095836.db2.gz ACZNGPPPIDGMEE-UHFFFAOYSA-N 2 1 278.444 2.167 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1Cc1cnn(C)c1 ZINC000085624760 179106659 /nfs/dbraw/zinc/10/66/59/179106659.db2.gz WZWXVVWBWCFGCJ-OCCSQVGLSA-N 2 1 264.417 2.019 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1Cc1cnn(C)c1 ZINC000085624760 179106660 /nfs/dbraw/zinc/10/66/60/179106660.db2.gz WZWXVVWBWCFGCJ-OCCSQVGLSA-N 2 1 264.417 2.019 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCC(F)(F)F ZINC000085626442 179107371 /nfs/dbraw/zinc/10/73/71/179107371.db2.gz WYTPFTUXWDDKNA-KOLCDFICSA-N 2 1 250.308 2.401 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1CCC(F)(F)F ZINC000085626442 179107373 /nfs/dbraw/zinc/10/73/73/179107373.db2.gz WYTPFTUXWDDKNA-KOLCDFICSA-N 2 1 250.308 2.401 10 0 CEAEMP C1C[C@@H]2[C@H](N3CC[NH2+][C@H](C4CCCCC4)C3)CC[N@H+]2C1 ZINC000086145121 179237569 /nfs/dbraw/zinc/23/75/69/179237569.db2.gz MLLCIQAAMVQUNA-GVDBMIGSSA-N 2 1 277.456 2.077 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086143085 179237994 /nfs/dbraw/zinc/23/79/94/179237994.db2.gz PEMWAVNRQTVVTM-QZTJIDSGSA-N 2 1 287.451 2.291 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)C1 ZINC000086222999 179251173 /nfs/dbraw/zinc/25/11/73/179251173.db2.gz DOKCNJDIGNYMKW-LZLYRXPVSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225381 179253012 /nfs/dbraw/zinc/25/30/12/179253012.db2.gz RAQJKXGKLWTJRC-BBWFWOEESA-N 2 1 279.472 2.323 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223918 179253808 /nfs/dbraw/zinc/25/38/08/179253808.db2.gz HHVHQNLXXCHFDZ-DJIMGWMZSA-N 2 1 273.424 2.116 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259321 179258126 /nfs/dbraw/zinc/25/81/26/179258126.db2.gz QRDHGLOZGBZUOS-ULQDDVLXSA-N 2 1 279.472 2.179 10 0 CEAEMP C[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259358 179258331 /nfs/dbraw/zinc/25/83/31/179258331.db2.gz FNJLZPVCPZPIQI-GJZGRUSLSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[C@@H]1CNC2(CCCC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261095 179260107 /nfs/dbraw/zinc/26/01/07/179260107.db2.gz HEFIVWIXRPTKTQ-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1CCCC[NH+](C)C ZINC000086261095 179260110 /nfs/dbraw/zinc/26/01/10/179260110.db2.gz HEFIVWIXRPTKTQ-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261043 179260125 /nfs/dbraw/zinc/26/01/25/179260125.db2.gz FVQFTRMBCBGDCN-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261043 179260127 /nfs/dbraw/zinc/26/01/27/179260127.db2.gz FVQFTRMBCBGDCN-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288176 179264078 /nfs/dbraw/zinc/26/40/78/179264078.db2.gz AXWJJPPSJFWSAI-MRXNPFEDSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288176 179264080 /nfs/dbraw/zinc/26/40/80/179264080.db2.gz AXWJJPPSJFWSAI-MRXNPFEDSA-N 2 1 261.413 2.334 10 0 CEAEMP CN1CCC([N@@H+]2CCC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086286972 179264584 /nfs/dbraw/zinc/26/45/84/179264584.db2.gz SGRGPIBLEROGFL-UHFFFAOYSA-N 2 1 265.445 2.079 10 0 CEAEMP CN1CCC([N@H+]2CCC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086286972 179264586 /nfs/dbraw/zinc/26/45/86/179264586.db2.gz SGRGPIBLEROGFL-UHFFFAOYSA-N 2 1 265.445 2.079 10 0 CEAEMP CCC[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292997 179266218 /nfs/dbraw/zinc/26/62/18/179266218.db2.gz FQVAPDXTDAHQCT-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291572 179266272 /nfs/dbraw/zinc/26/62/72/179266272.db2.gz WVLJDNWROQIARW-ARFHVFGLSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291671 179266405 /nfs/dbraw/zinc/26/64/05/179266405.db2.gz FCVJYIHWMMXMEM-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086291705 179266620 /nfs/dbraw/zinc/26/66/20/179266620.db2.gz RBIKWVHGKAXETO-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)Cn1c2ccc(C[NH3+])cc2nc1C[NH+](C)C ZINC000086641734 179315173 /nfs/dbraw/zinc/31/51/73/179315173.db2.gz QGRLMNVBBZHUSQ-UHFFFAOYSA-N 2 1 260.385 2.213 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835481 179349676 /nfs/dbraw/zinc/34/96/76/179349676.db2.gz OSMAPIUUFDZKTO-WLYUNCDWSA-N 2 1 254.418 2.144 10 0 CEAEMP C[N@H+]1CCC[C@@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086819478 179348497 /nfs/dbraw/zinc/34/84/97/179348497.db2.gz TVVRXSICLKGDFS-MRXNPFEDSA-N 2 1 277.412 2.057 10 0 CEAEMP CCOC(=O)C[C@]1([NH+](CC)CC)CCC[N@H+](C)CC1 ZINC000086834407 179349384 /nfs/dbraw/zinc/34/93/84/179349384.db2.gz LQHZSDNTQGCYTD-HNNXBMFYSA-N 2 1 270.417 2.136 10 0 CEAEMP CCOC(=O)C[C@]1([NH+](CC)CC)CCC[N@@H+](C)CC1 ZINC000086834407 179349386 /nfs/dbraw/zinc/34/93/86/179349386.db2.gz LQHZSDNTQGCYTD-HNNXBMFYSA-N 2 1 270.417 2.136 10 0 CEAEMP CCOC(=O)C1CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818800 179346433 /nfs/dbraw/zinc/34/64/33/179346433.db2.gz JTSNUFJEDWGOHI-SLTAFYQDSA-N 2 1 282.428 2.182 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818559 179347100 /nfs/dbraw/zinc/34/71/00/179347100.db2.gz JMAAWMPIOYBSJO-GXTWGEPZSA-N 2 1 290.411 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844670 179355799 /nfs/dbraw/zinc/35/57/99/179355799.db2.gz CZQZABAICAIRQD-AWEZNQCLSA-N 2 1 263.385 2.054 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844670 179355801 /nfs/dbraw/zinc/35/58/01/179355801.db2.gz CZQZABAICAIRQD-AWEZNQCLSA-N 2 1 263.385 2.054 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)CCC(C)C)CC1 ZINC000086847657 179356180 /nfs/dbraw/zinc/35/61/80/179356180.db2.gz GLPKTWSPBVSRMJ-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000086847004 179356575 /nfs/dbraw/zinc/35/65/75/179356575.db2.gz MRSBNQCAWKEZDL-HNNXBMFYSA-N 2 1 281.469 2.383 10 0 CEAEMP CCN(Cc1ccco1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847553 179356683 /nfs/dbraw/zinc/35/66/83/179356683.db2.gz DSYLSQSOYJSVNF-MRXNPFEDSA-N 2 1 279.428 2.305 10 0 CEAEMP CCN(Cc1ccco1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847556 179356741 /nfs/dbraw/zinc/35/67/41/179356741.db2.gz DSYLSQSOYJSVNF-INIZCTEOSA-N 2 1 279.428 2.305 10 0 CEAEMP CCC[NH+]1CCC(N[C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086836816 179351824 /nfs/dbraw/zinc/35/18/24/179351824.db2.gz QDOAMDAWERVTIW-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC([NH2+][C@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086836816 179351827 /nfs/dbraw/zinc/35/18/27/179351827.db2.gz QDOAMDAWERVTIW-HNNXBMFYSA-N 3 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC([NH2+][C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086836816 179351828 /nfs/dbraw/zinc/35/18/28/179351828.db2.gz QDOAMDAWERVTIW-HNNXBMFYSA-N 3 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC2CC[NH+](CC)CC2)CC1 ZINC000086842257 179353658 /nfs/dbraw/zinc/35/36/58/179353658.db2.gz SJAKQFLXSMEDLD-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]C2CCN(CC)CC2)CC1 ZINC000086842257 179353660 /nfs/dbraw/zinc/35/36/60/179353660.db2.gz SJAKQFLXSMEDLD-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C2CCN(CC)CC2)CC1 ZINC000086842257 179353662 /nfs/dbraw/zinc/35/36/62/179353662.db2.gz SJAKQFLXSMEDLD-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843123 179353794 /nfs/dbraw/zinc/35/37/94/179353794.db2.gz LVIGMCHZKATPPX-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843123 179353796 /nfs/dbraw/zinc/35/37/96/179353796.db2.gz LVIGMCHZKATPPX-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843123 179353797 /nfs/dbraw/zinc/35/37/97/179353797.db2.gz LVIGMCHZKATPPX-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000086850994 179359348 /nfs/dbraw/zinc/35/93/48/179359348.db2.gz GVIMDSHFWQSFOB-OWCLPIDISA-N 2 1 267.461 2.453 10 0 CEAEMP COCC[N@@H+](C1CC1)[C@@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891075 179366013 /nfs/dbraw/zinc/36/60/13/179366013.db2.gz JSEJGLDQLUYMCY-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP COc1ccc([C@H]2[C@@H](C[NH3+])CCC[N@@H+]2C)cc1F ZINC000086994635 179375987 /nfs/dbraw/zinc/37/59/87/179375987.db2.gz VZFCSRQMYVSDNP-RISCZKNCSA-N 2 1 252.333 2.176 10 0 CEAEMP COc1ccc([C@H]2[C@@H](C[NH3+])CCC[N@H+]2C)cc1F ZINC000086994635 179375988 /nfs/dbraw/zinc/37/59/88/179375988.db2.gz VZFCSRQMYVSDNP-RISCZKNCSA-N 2 1 252.333 2.176 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616627286 348539756 /nfs/dbraw/zinc/53/97/56/348539756.db2.gz GPVADSPPEVKYSG-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616627286 348539758 /nfs/dbraw/zinc/53/97/58/348539758.db2.gz GPVADSPPEVKYSG-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400321122 233176273 /nfs/dbraw/zinc/17/62/73/233176273.db2.gz BVJDZWLWTFYRHZ-FMKPAKJESA-N 2 1 262.397 2.322 10 0 CEAEMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369573 233177478 /nfs/dbraw/zinc/17/74/78/233177478.db2.gz TUTXEYQYSFFBPX-JQHSSLGASA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369573 233177479 /nfs/dbraw/zinc/17/74/79/233177479.db2.gz TUTXEYQYSFFBPX-JQHSSLGASA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369573 233177481 /nfs/dbraw/zinc/17/74/81/233177481.db2.gz TUTXEYQYSFFBPX-JQHSSLGASA-N 3 1 287.451 2.096 10 0 CEAEMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000090694476 180026477 /nfs/dbraw/zinc/02/64/77/180026477.db2.gz MJIVMLHCMMNRHT-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CC(C)[N@H+]1CCO[C@@H](CSc2cccc(C[NH3+])c2)C1 ZINC000090870472 180048923 /nfs/dbraw/zinc/04/89/23/180048923.db2.gz KNJXGBDWGGDILE-CQSZACIVSA-N 2 1 280.437 2.347 10 0 CEAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876274 180051821 /nfs/dbraw/zinc/05/18/21/180051821.db2.gz VPNMDIPFWVTSDF-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP CC(C)[N@@H+](CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879151 180052975 /nfs/dbraw/zinc/05/29/75/180052975.db2.gz DDXBHFKXUXFSQP-CQSZACIVSA-N 2 1 266.360 2.188 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C(N)=[NH2+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893374 180055103 /nfs/dbraw/zinc/05/51/03/180055103.db2.gz BZSXMBOHHVTNRM-MFKMUULPSA-N 2 1 279.359 2.023 10 0 CEAEMP CC1(C)C[N@H+](C[C@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896188 180056655 /nfs/dbraw/zinc/05/66/55/180056655.db2.gz GHQXNRKCXHZDSH-CQSZACIVSA-N 2 1 278.371 2.203 10 0 CEAEMP CC1(C)C[N@@H+](C[C@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896188 180056656 /nfs/dbraw/zinc/05/66/56/180056656.db2.gz GHQXNRKCXHZDSH-CQSZACIVSA-N 2 1 278.371 2.203 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@@H+](CCC[NH3+])C1CC1)O2 ZINC000090896979 180056728 /nfs/dbraw/zinc/05/67/28/180056728.db2.gz JVJQLGIPBXDYCT-HNNXBMFYSA-N 2 1 260.381 2.112 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090902513 180060025 /nfs/dbraw/zinc/06/00/25/180060025.db2.gz ULZXWNRKKGNAJQ-SJORKVTESA-N 2 1 286.419 2.372 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090902513 180060026 /nfs/dbraw/zinc/06/00/26/180060026.db2.gz ULZXWNRKKGNAJQ-SJORKVTESA-N 2 1 286.419 2.372 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019566 180087790 /nfs/dbraw/zinc/08/77/90/180087790.db2.gz LUSGRWHVZLGFQK-SMDDNHRTSA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019566 180087792 /nfs/dbraw/zinc/08/77/92/180087792.db2.gz LUSGRWHVZLGFQK-SMDDNHRTSA-N 2 1 258.369 2.265 10 0 CEAEMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019726 180087921 /nfs/dbraw/zinc/08/79/21/180087921.db2.gz AFFWBZNKHDRQOG-GFCCVEGCSA-N 2 1 258.369 2.124 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000091449255 180157524 /nfs/dbraw/zinc/15/75/24/180157524.db2.gz FVTMTELPZSOTRA-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]CCCCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091449255 180157526 /nfs/dbraw/zinc/15/75/26/180157526.db2.gz FVTMTELPZSOTRA-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@](C)([C@H](Cc1ccn(C(C)C)n1)[NH2+]C)[NH+](C)C ZINC000091570794 180195703 /nfs/dbraw/zinc/19/57/03/180195703.db2.gz CEUVTGNZCHGPPS-GJZGRUSLSA-N 2 1 266.433 2.325 10 0 CEAEMP CCn1cc(C[C@H]([NH2+]C)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091606301 180203861 /nfs/dbraw/zinc/20/38/61/180203861.db2.gz SDPIECRUWTZOEZ-JKSUJKDBSA-N 2 1 278.444 2.298 10 0 CEAEMP CC[C@](C)([C@@H](Cc1cc(C)nn1C)[NH2+]C)[NH+]1CCCC1 ZINC000091606602 180204734 /nfs/dbraw/zinc/20/47/34/180204734.db2.gz NSJXCMANVPILAE-HZPDHXFCSA-N 2 1 278.444 2.124 10 0 CEAEMP C[NH+](C)C(C)(C)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC000091528406 180179905 /nfs/dbraw/zinc/17/99/05/180179905.db2.gz WBXRJEDOAMIKBA-HNNXBMFYSA-N 2 1 257.381 2.445 10 0 CEAEMP CCC[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)[NH+]1CCCC1 ZINC000091536189 180182469 /nfs/dbraw/zinc/18/24/69/180182469.db2.gz XDIHXRRPKJYJKG-OAHLLOKOSA-N 2 1 278.444 2.205 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542336 180184469 /nfs/dbraw/zinc/18/44/69/180184469.db2.gz FRGZZLIOAJEFFD-CVEARBPZSA-N 2 1 295.471 2.084 10 0 CEAEMP CCn1nc(C)cc1C[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000091640674 180213252 /nfs/dbraw/zinc/21/32/52/180213252.db2.gz YWOFSMPAFXZTDR-INIZCTEOSA-N 2 1 290.455 2.490 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649098 180216134 /nfs/dbraw/zinc/21/61/34/180216134.db2.gz QGOAKGSAPHNFHU-PWZRNIHTSA-N 2 1 290.455 2.305 10 0 CEAEMP CC1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091666167 180221668 /nfs/dbraw/zinc/22/16/68/180221668.db2.gz OKVUJQAYCWVBLD-FJBKBRRZSA-N 2 1 266.429 2.266 10 0 CEAEMP CC1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091666167 180221671 /nfs/dbraw/zinc/22/16/71/180221671.db2.gz OKVUJQAYCWVBLD-FJBKBRRZSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[N@H+]([C@H](C)c1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000091780862 180254136 /nfs/dbraw/zinc/25/41/36/180254136.db2.gz HYJSHEZERVZVRU-LLVKDONJSA-N 2 1 280.368 2.201 10 0 CEAEMP CC[N@@H+]([C@H](C)c1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000091780862 180254137 /nfs/dbraw/zinc/25/41/37/180254137.db2.gz HYJSHEZERVZVRU-LLVKDONJSA-N 2 1 280.368 2.201 10 0 CEAEMP CCC[NH2+][C@H](CC1CCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722345 180240090 /nfs/dbraw/zinc/24/00/90/180240090.db2.gz MXASSDYROBECRO-OAGGEKHMSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](CC1CCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722345 180240094 /nfs/dbraw/zinc/24/00/94/180240094.db2.gz MXASSDYROBECRO-OAGGEKHMSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+]Cc1sc([C@H]2C[N@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723140 180241527 /nfs/dbraw/zinc/24/15/27/180241527.db2.gz PJMZBHANTBIVBA-CHWSQXEVSA-N 2 1 295.452 2.487 10 0 CEAEMP CC[NH2+]Cc1sc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723129 180242136 /nfs/dbraw/zinc/24/21/36/180242136.db2.gz PVILBYSFMCZIRY-NEPJUHHUSA-N 2 1 281.425 2.097 10 0 CEAEMP CC[C@H]1CCCCN1C(=O)C[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091850806 180272243 /nfs/dbraw/zinc/27/22/43/180272243.db2.gz OLBGJQWELQKOJS-PCKAHOCUSA-N 2 1 295.471 2.369 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)N(CC)CC)CC1 ZINC000091870123 180276968 /nfs/dbraw/zinc/27/69/68/180276968.db2.gz QDDINPRPUFAQDD-QQFBHYJXSA-N 2 1 297.487 2.486 10 0 CEAEMP CC[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871214 180277068 /nfs/dbraw/zinc/27/70/68/180277068.db2.gz YBAPTFZJTLQDPF-PFSRBDOWSA-N 2 1 254.418 2.406 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000091870318 180277209 /nfs/dbraw/zinc/27/72/09/180277209.db2.gz AYBMTQRLSHBKEE-UHFFFAOYSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH2+]C1CCC([N@H+](C)CCCN2CCCC2)CC1 ZINC000091870318 180277210 /nfs/dbraw/zinc/27/72/10/180277210.db2.gz AYBMTQRLSHBKEE-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCCN2CCCC2)CC1 ZINC000091870318 180277211 /nfs/dbraw/zinc/27/72/11/180277211.db2.gz AYBMTQRLSHBKEE-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H](C)c2cn(C)nc2C)CC1 ZINC000091871289 180277270 /nfs/dbraw/zinc/27/72/70/180277270.db2.gz HXJLRJHWLMLOFQ-IYXRBSQSSA-N 2 1 264.417 2.252 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC000091870286 180277304 /nfs/dbraw/zinc/27/73/04/180277304.db2.gz NPKXKHUTHQETIS-UHFFFAOYSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000091870436 180277465 /nfs/dbraw/zinc/27/74/65/180277465.db2.gz IVANZAFJGVSVNJ-NRXISQOPSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CCCC(=O)N(C)C)CC1 ZINC000091870082 180277515 /nfs/dbraw/zinc/27/75/15/180277515.db2.gz XZRJTMUHVMZBPC-UHFFFAOYSA-N 2 1 283.460 2.097 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000091872730 180277940 /nfs/dbraw/zinc/27/79/40/180277940.db2.gz GZZVLFDAGJFNOY-HWOWSKLDSA-N 3 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([NH+](C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091872730 180277941 /nfs/dbraw/zinc/27/79/41/180277941.db2.gz GZZVLFDAGJFNOY-HWOWSKLDSA-N 3 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([NH+](C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000091872730 180277942 /nfs/dbraw/zinc/27/79/42/180277942.db2.gz GZZVLFDAGJFNOY-HWOWSKLDSA-N 3 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([N@H+](C)CC[C@H]2CCCCN2C)CC1 ZINC000091872730 180277944 /nfs/dbraw/zinc/27/79/44/180277944.db2.gz GZZVLFDAGJFNOY-HWOWSKLDSA-N 2 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC[C@H]2CCCCN2C)CC1 ZINC000091872730 180277946 /nfs/dbraw/zinc/27/79/46/180277946.db2.gz GZZVLFDAGJFNOY-HWOWSKLDSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COC2(C[NH3+])CCC(C(C)C)CC2)C1 ZINC000092050599 180312114 /nfs/dbraw/zinc/31/21/14/180312114.db2.gz XKSSBPBIMPVTGW-AQFXKWCLSA-N 2 1 298.471 2.267 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COC2(C[NH3+])CCC(C(C)C)CC2)C1 ZINC000092050599 180312115 /nfs/dbraw/zinc/31/21/15/180312115.db2.gz XKSSBPBIMPVTGW-AQFXKWCLSA-N 2 1 298.471 2.267 10 0 CEAEMP CC[N@H+]1CCO[C@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000092060195 180315628 /nfs/dbraw/zinc/31/56/28/180315628.db2.gz LTYQPZVJKKHTJR-HNNXBMFYSA-N 2 1 279.428 2.097 10 0 CEAEMP CC[C@H]([NH3+])Cc1ccccc1OC[C@@H]1C[N@H+](CC)CCO1 ZINC000092060631 180315663 /nfs/dbraw/zinc/31/56/63/180315663.db2.gz QBPRMWONHCROPC-HOTGVXAUSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@H]([NH3+])Cc1ccccc1OC[C@@H]1C[N@@H+](CC)CCO1 ZINC000092060631 180315664 /nfs/dbraw/zinc/31/56/64/180315664.db2.gz QBPRMWONHCROPC-HOTGVXAUSA-N 2 1 292.423 2.066 10 0 CEAEMP C[C@H]1C[NH+](CC[NH2+]CCc2ccsc2)C[C@@H]1C ZINC000092089560 180321841 /nfs/dbraw/zinc/32/18/41/180321841.db2.gz XQLNEJLOGNSTOC-STQMWFEESA-N 2 1 252.427 2.468 10 0 CEAEMP CC(C)[N@@H+](CCC(N)=[NH2+])C[C@@H]1COc2ccccc21 ZINC000092302321 180359385 /nfs/dbraw/zinc/35/93/85/180359385.db2.gz HBWUMEDDCHLJER-GFCCVEGCSA-N 2 1 261.369 2.199 10 0 CEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302585 180359595 /nfs/dbraw/zinc/35/95/95/180359595.db2.gz XTYRNXDYCSAFDK-HZSPNIEDSA-N 2 1 260.381 2.222 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C(N)=[NH2+])C[C@@H]1COc2ccccc21 ZINC000092302312 180359705 /nfs/dbraw/zinc/35/97/05/180359705.db2.gz OJPQZXIITXIQAM-VXGBXAGGSA-N 2 1 261.369 2.057 10 0 CEAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])C[C@@H]1COc2ccccc21 ZINC000092302327 180359734 /nfs/dbraw/zinc/35/97/34/180359734.db2.gz PGRUJVUPMBKNJE-CYBMUJFWSA-N 2 1 275.396 2.447 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000092328420 180363093 /nfs/dbraw/zinc/36/30/93/180363093.db2.gz LCEBSIPDPWGTGY-GXFFZTMASA-N 2 1 251.374 2.426 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000092328420 180363094 /nfs/dbraw/zinc/36/30/94/180363094.db2.gz LCEBSIPDPWGTGY-GXFFZTMASA-N 2 1 251.374 2.426 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCC[NH2+]1 ZINC000092365799 180368755 /nfs/dbraw/zinc/36/87/55/180368755.db2.gz GIGGCBJQJMDXIP-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCC[NH2+]1 ZINC000092365799 180368759 /nfs/dbraw/zinc/36/87/59/180368759.db2.gz GIGGCBJQJMDXIP-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP CCNc1cc[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092419482 180382620 /nfs/dbraw/zinc/38/26/20/180382620.db2.gz NDUCNQHIXLRBFS-CVEARBPZSA-N 2 1 274.412 2.182 10 0 CEAEMP Cc1cccc(C[N@H+](C)Cc2ccccc2C[NH3+])n1 ZINC000092427866 180383794 /nfs/dbraw/zinc/38/37/94/180383794.db2.gz UAIGGGRUTWZMGL-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP CC(C)(C)[NH+]1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000107074566 186159084 /nfs/dbraw/zinc/15/90/84/186159084.db2.gz BFLJMARKABAUBE-UHFFFAOYSA-N 2 1 260.385 2.449 10 0 CEAEMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000109603712 186266538 /nfs/dbraw/zinc/26/65/38/186266538.db2.gz JGJWPTBJJACORE-CYBMUJFWSA-N 2 1 294.370 2.060 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)s2)CC[N@@H+]1C ZINC000110701627 186314906 /nfs/dbraw/zinc/31/49/06/186314906.db2.gz ASWBHIFNJYXZTK-UWVGGRQHSA-N 2 1 273.833 2.037 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)s2)CC[N@H+]1C ZINC000110701627 186314908 /nfs/dbraw/zinc/31/49/08/186314908.db2.gz ASWBHIFNJYXZTK-UWVGGRQHSA-N 2 1 273.833 2.037 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccccc1F)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705220 186314930 /nfs/dbraw/zinc/31/49/30/186314930.db2.gz ATTKKHCDIYAISO-IUODEOHRSA-N 2 1 279.403 2.240 10 0 CEAEMP CC(C)CC[C@](C)(C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711976 186315462 /nfs/dbraw/zinc/31/54/62/186315462.db2.gz WQQLLVVPASEGCT-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP C[C@@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@H+]1C ZINC000110712592 186315486 /nfs/dbraw/zinc/31/54/86/186315486.db2.gz LEBOANQTADBOGJ-XYPHTWIQSA-N 2 1 273.424 2.027 10 0 CEAEMP CC[C@H]1CN(C2(C[NH3+])CCCCCCC2)CC[N@H+]1C ZINC000110710827 186316019 /nfs/dbraw/zinc/31/60/19/186316019.db2.gz KHYAWJSDIKJCRK-HNNXBMFYSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC[N@H+]1C ZINC000110715781 186316250 /nfs/dbraw/zinc/31/62/50/186316250.db2.gz XPKYFOBHMHZREP-NXHRZFHOSA-N 2 1 287.451 2.288 10 0 CEAEMP C[N@H+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1(C)C ZINC000110722424 186317995 /nfs/dbraw/zinc/31/79/95/186317995.db2.gz DZAUBQPZCJPLQK-AWEZNQCLSA-N 2 1 274.412 2.080 10 0 CEAEMP CN1CC[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CC1(C)C ZINC000110722424 186317996 /nfs/dbraw/zinc/31/79/96/186317996.db2.gz DZAUBQPZCJPLQK-AWEZNQCLSA-N 2 1 274.412 2.080 10 0 CEAEMP CN1CC[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CC1(C)C ZINC000110722424 186317997 /nfs/dbraw/zinc/31/79/97/186317997.db2.gz DZAUBQPZCJPLQK-AWEZNQCLSA-N 2 1 274.412 2.080 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000110724117 186318093 /nfs/dbraw/zinc/31/80/93/186318093.db2.gz JDHHXOCODJQZCI-CQSZACIVSA-N 2 1 283.460 2.084 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000110724117 186318094 /nfs/dbraw/zinc/31/80/94/186318094.db2.gz JDHHXOCODJQZCI-CQSZACIVSA-N 2 1 283.460 2.084 10 0 CEAEMP C[N@H+]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1(C)C ZINC000110760340 186322675 /nfs/dbraw/zinc/32/26/75/186322675.db2.gz BKJXLZOBTSFRSJ-UHFFFAOYSA-N 2 1 296.484 2.430 10 0 CEAEMP CC[NH2+]Cc1sc(N2CC[N@@H+](C)[C@@H](CC)C2)nc1C ZINC000110760257 186323613 /nfs/dbraw/zinc/32/36/13/186323613.db2.gz QGGPXUNLTPRVNT-LBPRGKRZSA-N 2 1 282.457 2.091 10 0 CEAEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(F)cc1 ZINC000111151043 186360410 /nfs/dbraw/zinc/36/04/10/186360410.db2.gz NFQDUWCUUDMSAH-UHFFFAOYSA-N 2 1 253.365 2.121 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(F)cc1 ZINC000111151043 186360411 /nfs/dbraw/zinc/36/04/11/186360411.db2.gz NFQDUWCUUDMSAH-UHFFFAOYSA-N 2 1 253.365 2.121 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160601 186361636 /nfs/dbraw/zinc/36/16/36/186361636.db2.gz FAJKZQIXTNLWJM-SOUVJXGZSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160601 186361637 /nfs/dbraw/zinc/36/16/37/186361637.db2.gz FAJKZQIXTNLWJM-SOUVJXGZSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)CC2CCOCC2)C1 ZINC000111157495 186361776 /nfs/dbraw/zinc/36/17/76/186361776.db2.gz KRZBTKLBNJQNDQ-VHDGCEQUSA-N 2 1 254.418 2.108 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000111143948 186358457 /nfs/dbraw/zinc/35/84/57/186358457.db2.gz HLJRLYDLMBERND-INIZCTEOSA-N 2 1 264.413 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000111143948 186358459 /nfs/dbraw/zinc/35/84/59/186358459.db2.gz HLJRLYDLMBERND-INIZCTEOSA-N 2 1 264.413 2.220 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCOC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172167 186365829 /nfs/dbraw/zinc/36/58/29/186365829.db2.gz PXZKBOADNOZMEH-RDJZCZTQSA-N 2 1 298.471 2.140 10 0 CEAEMP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320793 186396711 /nfs/dbraw/zinc/39/67/11/186396711.db2.gz AJENIMAQPIOWKE-CVEARBPZSA-N 2 1 262.397 2.181 10 0 CEAEMP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320793 186396713 /nfs/dbraw/zinc/39/67/13/186396713.db2.gz AJENIMAQPIOWKE-CVEARBPZSA-N 2 1 262.397 2.181 10 0 CEAEMP CC[N@@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C(C)C ZINC000111324780 186399037 /nfs/dbraw/zinc/39/90/37/186399037.db2.gz QQERPWURCPDVMY-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[N@@H+](C[C@]1(C[NH2+]C(C)C)CCCOC1)C1CC1 ZINC000111324696 186399220 /nfs/dbraw/zinc/39/92/20/186399220.db2.gz CHPZXZLNFZBAJP-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C)CC[N@H+]1C ZINC000111237354 186373573 /nfs/dbraw/zinc/37/35/73/186373573.db2.gz ZNVDKBYNSNNWRB-ZBFHGGJFSA-N 2 1 261.413 2.021 10 0 CEAEMP [NH3+]C[C@H]1CC[C@H](Nc2cc[nH+]cc2Br)CC1 ZINC000630558463 351785471 /nfs/dbraw/zinc/78/54/71/351785471.db2.gz MFAIPFTVALZDDZ-MGCOHNPYSA-N 2 1 284.201 2.195 10 0 CEAEMP Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630530164 351773980 /nfs/dbraw/zinc/77/39/80/351773980.db2.gz ZCRBMVPBBXIHKJ-WDEREUQCSA-N 2 1 288.317 2.057 10 0 CEAEMP CCC[N@@H+](CC)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059218 540079439 /nfs/dbraw/zinc/07/94/39/540079439.db2.gz MEKLRAFCKAIIHF-MRXNPFEDSA-N 2 1 262.397 2.098 10 0 CEAEMP C[N@H+](CCOc1cncc(Cl)c1)C1CC[NH+](C)CC1 ZINC000675077181 540118629 /nfs/dbraw/zinc/11/86/29/540118629.db2.gz ZQIUTROHDDCSSD-UHFFFAOYSA-N 2 1 283.803 2.140 10 0 CEAEMP C[N@@H+](CCOc1cncc(Cl)c1)C1CC[NH+](C)CC1 ZINC000675077181 540118633 /nfs/dbraw/zinc/11/86/33/540118633.db2.gz ZQIUTROHDDCSSD-UHFFFAOYSA-N 2 1 283.803 2.140 10 0 CEAEMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248978905 283173345 /nfs/dbraw/zinc/17/33/45/283173345.db2.gz IIRGUVSUXUSJAM-HZPDHXFCSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248978905 283173346 /nfs/dbraw/zinc/17/33/46/283173346.db2.gz IIRGUVSUXUSJAM-HZPDHXFCSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331461 189107672 /nfs/dbraw/zinc/10/76/72/189107672.db2.gz UJUDRVBBYNQFRJ-HUUCEWRRSA-N 2 1 293.411 2.388 10 0 CEAEMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331461 189107673 /nfs/dbraw/zinc/10/76/73/189107673.db2.gz UJUDRVBBYNQFRJ-HUUCEWRRSA-N 2 1 293.411 2.388 10 0 CEAEMP C[C@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000631838274 367579462 /nfs/dbraw/zinc/57/94/62/367579462.db2.gz LJHIRDQQAOKYMX-QWRGUYRKSA-N 2 1 261.394 2.323 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000631838274 367579464 /nfs/dbraw/zinc/57/94/64/367579464.db2.gz LJHIRDQQAOKYMX-QWRGUYRKSA-N 2 1 261.394 2.323 10 0 CEAEMP C[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000631840212 367581128 /nfs/dbraw/zinc/58/11/28/367581128.db2.gz ASJAQVGCMHGQES-OLZOCXBDSA-N 2 1 250.411 2.305 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000631841223 367583512 /nfs/dbraw/zinc/58/35/12/367583512.db2.gz ZVQNJLZWQDDZII-DOMZBBRYSA-N 2 1 255.365 2.261 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000634576584 368725890 /nfs/dbraw/zinc/72/58/90/368725890.db2.gz VIDMNOYCLXHQAW-HOCLYGCPSA-N 2 1 276.424 2.115 10 0 CEAEMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231453839 370479299 /nfs/dbraw/zinc/47/92/99/370479299.db2.gz ZKOLCYYIDAENNV-INIZCTEOSA-N 2 1 284.407 2.446 10 0 CEAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695771 371703735 /nfs/dbraw/zinc/70/37/35/371703735.db2.gz BIKQNICHZZKCAU-GDBMZVCRSA-N 3 1 276.428 2.082 10 0 CEAEMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCS1 ZINC000261998571 371795069 /nfs/dbraw/zinc/79/50/69/371795069.db2.gz UIHRVWWVRBFZCH-LJISPDSOSA-N 2 1 284.469 2.019 10 0 CEAEMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCO1 ZINC000311191055 376655809 /nfs/dbraw/zinc/65/58/09/376655809.db2.gz FQAYKILZOCYDTO-APIJFGDWSA-N 2 1 254.418 2.107 10 0 CEAEMP OCC[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000685423376 542136203 /nfs/dbraw/zinc/13/62/03/542136203.db2.gz MCXKENMRLRZERD-UHFFFAOYSA-N 2 1 268.445 2.393 10 0 CEAEMP CCC[NH2+]Cc1ccc(CN(C)C[C@@H]2CCC[N@H+]2C)o1 ZINC000092673955 184620138 /nfs/dbraw/zinc/62/01/38/184620138.db2.gz NCWLPYVQMXSEID-AWEZNQCLSA-N 2 1 279.428 2.305 10 0 CEAEMP [NH3+]C[C@]1([NH+]2CCSCC2)CCC[C@@H](C2CC2)C1 ZINC000081640535 177834767 /nfs/dbraw/zinc/83/47/67/177834767.db2.gz RFOUREQCAPNITL-KGLIPLIRSA-N 2 1 254.443 2.333 10 0 CEAEMP COC[C@H]1CC[N@@H+](CCC[C@@H](CC[NH3+])C(C)C)C1 ZINC000081069262 177765079 /nfs/dbraw/zinc/76/50/79/177765079.db2.gz HOSASCAPNGDHOD-GJZGRUSLSA-N 2 1 256.434 2.356 10 0 CEAEMP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@@H+](CC)CC1CC1 ZINC000093598454 184694702 /nfs/dbraw/zinc/69/47/02/184694702.db2.gz IOGRBBMPULLZRL-HZPDHXFCSA-N 2 1 268.445 2.249 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCCCCC[NH3+] ZINC000094462037 184805362 /nfs/dbraw/zinc/80/53/62/184805362.db2.gz MSFPSHZDCNATIB-LSDHHAIUSA-N 2 1 253.434 2.064 10 0 CEAEMP CCC[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000087535277 135051019 /nfs/dbraw/zinc/05/10/19/135051019.db2.gz ATTMHQHTUROFAS-OAHLLOKOSA-N 2 1 291.439 2.192 10 0 CEAEMP C[C@H]([NH3+])Cc1ccccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094444574 135089113 /nfs/dbraw/zinc/08/91/13/135089113.db2.gz HISYOXXVTXEVLG-GOEBONIOSA-N 2 1 273.424 2.251 10 0 CEAEMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CNc3ccccn3)C2)O1 ZINC000248963412 394550250 /nfs/dbraw/zinc/55/02/50/394550250.db2.gz BJWJADPSJNLSDW-QLFBSQMISA-N 2 1 275.396 2.383 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]12 ZINC000261857976 394608238 /nfs/dbraw/zinc/60/82/38/394608238.db2.gz XOOCAYBPABTXKP-TUKIKUTGSA-N 2 1 292.810 2.444 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]12 ZINC000261857976 394608241 /nfs/dbraw/zinc/60/82/41/394608241.db2.gz XOOCAYBPABTXKP-TUKIKUTGSA-N 2 1 292.810 2.444 10 0 CEAEMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cnc21 ZINC000262106285 394613422 /nfs/dbraw/zinc/61/34/22/394613422.db2.gz WARKERJHXJBSDM-QGZVFWFLSA-N 2 1 299.422 2.198 10 0 CEAEMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cnc21 ZINC000262106285 394613428 /nfs/dbraw/zinc/61/34/28/394613428.db2.gz WARKERJHXJBSDM-QGZVFWFLSA-N 2 1 299.422 2.198 10 0 CEAEMP Cc1cccc([C@H](C)NC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000394063407 395203862 /nfs/dbraw/zinc/20/38/62/395203862.db2.gz RCEOXQCWTVLBKJ-XJKSGUPXSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c1 ZINC000394063407 395203868 /nfs/dbraw/zinc/20/38/68/395203868.db2.gz RCEOXQCWTVLBKJ-XJKSGUPXSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000394063407 395203872 /nfs/dbraw/zinc/20/38/72/395203872.db2.gz RCEOXQCWTVLBKJ-XJKSGUPXSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000394063407 395203875 /nfs/dbraw/zinc/20/38/75/395203875.db2.gz RCEOXQCWTVLBKJ-XJKSGUPXSA-N 2 1 262.397 2.101 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000651297126 401309579 /nfs/dbraw/zinc/30/95/79/401309579.db2.gz JAZDDDFDANLZJR-MRXNPFEDSA-N 2 1 266.429 2.002 10 0 CEAEMP CCc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000562956908 298725550 /nfs/dbraw/zinc/72/55/50/298725550.db2.gz ALFFBQLRXULOSF-JQWIXIFHSA-N 2 1 251.374 2.023 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022210448 171373293 /nfs/dbraw/zinc/37/32/93/171373293.db2.gz LPLYJPZFDPGWCF-BETUJISGSA-N 2 1 275.396 2.062 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000037269626 173080906 /nfs/dbraw/zinc/08/09/06/173080906.db2.gz CRGQPNMQRNGUSJ-UHFFFAOYSA-N 2 1 252.402 2.186 10 0 CEAEMP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098046 174112933 /nfs/dbraw/zinc/11/29/33/174112933.db2.gz RKFMIEFCFBFHFB-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098046 174112934 /nfs/dbraw/zinc/11/29/34/174112934.db2.gz RKFMIEFCFBFHFB-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098046 174112936 /nfs/dbraw/zinc/11/29/36/174112936.db2.gz RKFMIEFCFBFHFB-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000040622541 174355836 /nfs/dbraw/zinc/35/58/36/174355836.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000040622541 174355837 /nfs/dbraw/zinc/35/58/37/174355837.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000040622541 174355838 /nfs/dbraw/zinc/35/58/38/174355838.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000040622541 174355839 /nfs/dbraw/zinc/35/58/39/174355839.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 3 1 281.488 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000040622541 174355840 /nfs/dbraw/zinc/35/58/40/174355840.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 3 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000040622541 174355841 /nfs/dbraw/zinc/35/58/41/174355841.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 3 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000040622541 174355842 /nfs/dbraw/zinc/35/58/42/174355842.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 3 1 281.488 2.427 10 0 CEAEMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000040735929 174389325 /nfs/dbraw/zinc/38/93/25/174389325.db2.gz DLIUAWNSRRAUNC-ZFWWWQNUSA-N 2 1 262.397 2.255 10 0 CEAEMP CCC[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CN2CCC1CC2 ZINC000040747660 174392899 /nfs/dbraw/zinc/39/28/99/174392899.db2.gz GZCUHFGKJNBRLO-FCLJQHQZSA-N 2 1 277.456 2.076 10 0 CEAEMP CCCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[NH+]2CCC1CC2 ZINC000040747660 174392901 /nfs/dbraw/zinc/39/29/01/174392901.db2.gz GZCUHFGKJNBRLO-FCLJQHQZSA-N 2 1 277.456 2.076 10 0 CEAEMP C[NH+](C)CC1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000042392201 174706878 /nfs/dbraw/zinc/70/68/78/174706878.db2.gz WCYYVRRSKWBGCH-UHFFFAOYSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000043818237 175113393 /nfs/dbraw/zinc/11/33/93/175113393.db2.gz CRUHXEXWLMSRTL-IAGOWNOFSA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)CC(C)C)OCCO2 ZINC000043887109 175117774 /nfs/dbraw/zinc/11/77/74/175117774.db2.gz PSUREDJIZWGWBO-GJZGRUSLSA-N 2 1 284.444 2.238 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)CC(C)C)OCCO2 ZINC000043887109 175117775 /nfs/dbraw/zinc/11/77/75/175117775.db2.gz PSUREDJIZWGWBO-GJZGRUSLSA-N 2 1 284.444 2.238 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890422 175118343 /nfs/dbraw/zinc/11/83/43/175118343.db2.gz WHGKCFNODOERSW-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CCOC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906887 175122657 /nfs/dbraw/zinc/12/26/57/175122657.db2.gz ZZZWKXNVKUFMMP-VHDGCEQUSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907419 175123288 /nfs/dbraw/zinc/12/32/88/175123288.db2.gz WLCPKPSGXISEPN-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@@H+](C)CCOC ZINC000043915643 175124944 /nfs/dbraw/zinc/12/49/44/175124944.db2.gz XQIJIFQAVBCNDJ-CYBMUJFWSA-N 2 1 280.412 2.444 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000045134752 175313063 /nfs/dbraw/zinc/31/30/63/175313063.db2.gz MQJKMYQEVSYSDE-GFCCVEGCSA-N 2 1 282.350 2.275 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045372478 175364799 /nfs/dbraw/zinc/36/47/99/175364799.db2.gz NUOBZJBIGVWEOU-QGZVFWFLSA-N 2 1 295.471 2.417 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C ZINC000045380850 175369679 /nfs/dbraw/zinc/36/96/79/175369679.db2.gz WBDLHYGHTXGDDS-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C ZINC000045380850 175369682 /nfs/dbraw/zinc/36/96/82/175369682.db2.gz WBDLHYGHTXGDDS-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)CC(C)C ZINC000045381746 175370262 /nfs/dbraw/zinc/37/02/62/175370262.db2.gz BDLKOYKTFRXQRP-INIZCTEOSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCC)C(=O)OC ZINC000045382196 175370397 /nfs/dbraw/zinc/37/03/97/175370397.db2.gz CFBIFLIFPUSBBI-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCC)C(=O)OC ZINC000045382196 175370399 /nfs/dbraw/zinc/37/03/99/175370399.db2.gz CFBIFLIFPUSBBI-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)CC)[NH2+]C(C)C ZINC000045382749 175370828 /nfs/dbraw/zinc/37/08/28/175370828.db2.gz UBOQWWYJUVVCTD-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)CC)[NH2+]C(C)C ZINC000045382749 175370830 /nfs/dbraw/zinc/37/08/30/175370830.db2.gz UBOQWWYJUVVCTD-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045387075 175372626 /nfs/dbraw/zinc/37/26/26/175372626.db2.gz FVSLQRZYGRNTGY-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045387075 175372627 /nfs/dbraw/zinc/37/26/27/175372627.db2.gz FVSLQRZYGRNTGY-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCC1)C(N)=O ZINC000045390648 175374767 /nfs/dbraw/zinc/37/47/67/175374767.db2.gz CWAQLYRAHADRCU-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390526 175375143 /nfs/dbraw/zinc/37/51/43/175375143.db2.gz TUSGQWBDBDBPNU-QGZVFWFLSA-N 2 1 295.471 2.417 10 0 CEAEMP C[C@@H]1C[N@H+](C[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)S1 ZINC000070387901 175905308 /nfs/dbraw/zinc/90/53/08/175905308.db2.gz AZCRXOMOMVWYFY-XQQFMLRXSA-N 2 1 254.443 2.202 10 0 CEAEMP c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071090728 176031161 /nfs/dbraw/zinc/03/11/61/176031161.db2.gz NXFSQECFJVEKRN-KBXCAEBGSA-N 2 1 286.419 2.374 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000071124576 176035215 /nfs/dbraw/zinc/03/52/15/176035215.db2.gz QIHSMIDZQGRVHL-ARFHVFGLSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071124905 176035504 /nfs/dbraw/zinc/03/55/04/176035504.db2.gz VPJWFKMYOKBSKO-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC(=O)Nc2cccc(C)c2)C1 ZINC000071145447 176041754 /nfs/dbraw/zinc/04/17/54/176041754.db2.gz XPDFTRCKVFBRBZ-HNNXBMFYSA-N 2 1 289.423 2.255 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(CN)[N@@H+](CCCOC)CCOC ZINC000071161921 176046426 /nfs/dbraw/zinc/04/64/26/176046426.db2.gz KNSRLTBGGHZJBT-HZPDHXFCSA-N 2 1 286.460 2.269 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188094 176061437 /nfs/dbraw/zinc/06/14/37/176061437.db2.gz OKGCUUBLTOPYFF-IPYPFGDCSA-N 2 1 281.469 2.410 10 0 CEAEMP C[C@H](C[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071188447 176062523 /nfs/dbraw/zinc/06/25/23/176062523.db2.gz SWOCKCVDRCRMJJ-NUJGCVRESA-N 2 1 289.467 2.391 10 0 CEAEMP Cc1cc(C)c([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188612 176063667 /nfs/dbraw/zinc/06/36/67/176063667.db2.gz RCUVGLLHFAZLDZ-IAGOWNOFSA-N 2 1 289.467 2.495 10 0 CEAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188819 176063813 /nfs/dbraw/zinc/06/38/13/176063813.db2.gz HQWHZMUAKXXURI-OAGGEKHMSA-N 2 1 269.477 2.427 10 0 CEAEMP CCc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188680 176063838 /nfs/dbraw/zinc/06/38/38/176063838.db2.gz ITXQLCSCSSFLNE-NVXWUHKLSA-N 2 1 275.440 2.132 10 0 CEAEMP CCC[C@]1(CN(C)C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]C1 ZINC000071190952 176068820 /nfs/dbraw/zinc/06/88/20/176068820.db2.gz GWXAJOMWRAKSMP-CVEARBPZSA-N 2 1 267.461 2.040 10 0 CEAEMP Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192038 176072389 /nfs/dbraw/zinc/07/23/89/176072389.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 2 1 293.455 2.470 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1cccc2cccnc21 ZINC000071229191 176091037 /nfs/dbraw/zinc/09/10/37/176091037.db2.gz RRTFMQTYDNHODB-UHFFFAOYSA-N 2 1 286.379 2.009 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1cccc2cccnc21 ZINC000071229191 176091038 /nfs/dbraw/zinc/09/10/38/176091038.db2.gz RRTFMQTYDNHODB-UHFFFAOYSA-N 2 1 286.379 2.009 10 0 CEAEMP CC[NH2+]CCCCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000071289939 176110366 /nfs/dbraw/zinc/11/03/66/176110366.db2.gz LGVBQKOOCFDRGA-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000071293154 176111230 /nfs/dbraw/zinc/11/12/30/176111230.db2.gz WXESWQHBPAWJRQ-AWEZNQCLSA-N 2 1 270.417 2.184 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000071293154 176111232 /nfs/dbraw/zinc/11/12/32/176111232.db2.gz WXESWQHBPAWJRQ-AWEZNQCLSA-N 2 1 270.417 2.184 10 0 CEAEMP CCOC(=O)CCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000071292853 176111338 /nfs/dbraw/zinc/11/13/38/176111338.db2.gz BSVAFUCZYSJJPA-UHFFFAOYSA-N 2 1 270.417 2.136 10 0 CEAEMP CCOC(=O)CCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000071292853 176111339 /nfs/dbraw/zinc/11/13/39/176111339.db2.gz BSVAFUCZYSJJPA-UHFFFAOYSA-N 2 1 270.417 2.136 10 0 CEAEMP CCCn1c(C[NH3+])nnc1SCC[C@@H]1CCCC[N@H+]1C ZINC000071375341 176140242 /nfs/dbraw/zinc/14/02/42/176140242.db2.gz PLAUIMWNJXXCHS-LBPRGKRZSA-N 2 1 297.472 2.113 10 0 CEAEMP CC[NH+]1CCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401633 176153764 /nfs/dbraw/zinc/15/37/64/176153764.db2.gz AZRMOUULKCFJST-INIZCTEOSA-N 2 1 261.413 2.104 10 0 CEAEMP CCC[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000079239784 177453917 /nfs/dbraw/zinc/45/39/17/177453917.db2.gz JAXBUCXQTMAAPN-CVEARBPZSA-N 2 1 297.487 2.378 10 0 CEAEMP CCn1c(C)nnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000179705751 260064029 /nfs/dbraw/zinc/06/40/29/260064029.db2.gz LPOJDQQYCFESHH-UHFFFAOYSA-N 2 1 293.459 2.160 10 0 CEAEMP Brc1c[nH+]ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261593418 275377767 /nfs/dbraw/zinc/37/77/67/275377767.db2.gz WUKDELZQTXVSNA-ONGXEEELSA-N 2 1 282.185 2.032 10 0 CEAEMP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247153348 276021575 /nfs/dbraw/zinc/02/15/75/276021575.db2.gz UJUDRVBBYNQFRJ-GJZGRUSLSA-N 2 1 293.411 2.388 10 0 CEAEMP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247153348 276021576 /nfs/dbraw/zinc/02/15/76/276021576.db2.gz UJUDRVBBYNQFRJ-GJZGRUSLSA-N 2 1 293.411 2.388 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261813009 276180874 /nfs/dbraw/zinc/18/08/74/276180874.db2.gz ZWPBYVSNTKWFAS-HOTGVXAUSA-N 2 1 295.471 2.227 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000248030709 277105724 /nfs/dbraw/zinc/10/57/24/277105724.db2.gz KHBUPAHPTJMTPD-JONQDZQNSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000248030709 277105725 /nfs/dbraw/zinc/10/57/25/277105725.db2.gz KHBUPAHPTJMTPD-JONQDZQNSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000248030709 277105726 /nfs/dbraw/zinc/10/57/26/277105726.db2.gz KHBUPAHPTJMTPD-JONQDZQNSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000248030709 277105728 /nfs/dbraw/zinc/10/57/28/277105728.db2.gz KHBUPAHPTJMTPD-JONQDZQNSA-N 2 1 294.439 2.277 10 0 CEAEMP CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247307939 277216229 /nfs/dbraw/zinc/21/62/29/277216229.db2.gz GTWIVWFVWIMDBV-HZPDHXFCSA-N 2 1 298.471 2.113 10 0 CEAEMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529334 278344242 /nfs/dbraw/zinc/34/42/42/278344242.db2.gz RDIKHXLMCOGRBN-NVXWUHKLSA-N 2 1 275.440 2.096 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529334 278344244 /nfs/dbraw/zinc/34/42/44/278344244.db2.gz RDIKHXLMCOGRBN-NVXWUHKLSA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529334 278344246 /nfs/dbraw/zinc/34/42/46/278344246.db2.gz RDIKHXLMCOGRBN-NVXWUHKLSA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529334 278344248 /nfs/dbraw/zinc/34/42/48/278344248.db2.gz RDIKHXLMCOGRBN-NVXWUHKLSA-N 2 1 275.440 2.096 10 0 CEAEMP Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261991394 281343909 /nfs/dbraw/zinc/34/39/09/281343909.db2.gz STKARNUDEDGPQL-ZACQAIPSSA-N 2 1 274.408 2.242 10 0 CEAEMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000581005710 322361211 /nfs/dbraw/zinc/36/12/11/322361211.db2.gz CVMUHJQPUZCQND-HZPDHXFCSA-N 3 1 267.461 2.086 10 0 CEAEMP CC(C)C[N@@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181364 519709121 /nfs/dbraw/zinc/70/91/21/519709121.db2.gz YMGQPJSMIJNYSG-UHFFFAOYSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CCCSCC2)CCOCC1 ZINC000052197949 519719693 /nfs/dbraw/zinc/71/96/93/519719693.db2.gz FJAVLPLDWXKIRD-UHFFFAOYSA-N 2 1 286.485 2.220 10 0 CEAEMP CC(C)C[NH2+]CC1(C[NH+]2CCSCC2)CCOCC1 ZINC000052181131 519742939 /nfs/dbraw/zinc/74/29/39/519742939.db2.gz ROFOHLSDVQERTL-UHFFFAOYSA-N 2 1 286.485 2.078 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180439 519910835 /nfs/dbraw/zinc/91/08/35/519910835.db2.gz YOAOXFNURSPEJX-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000052180792 519912633 /nfs/dbraw/zinc/91/26/33/519912633.db2.gz WDCACHYJPCOZBK-CQSZACIVSA-N 2 1 254.418 2.125 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000062741245 520515966 /nfs/dbraw/zinc/51/59/66/520515966.db2.gz DWDZFPPXFCGWQR-HOTGVXAUSA-N 2 1 262.397 2.230 10 0 CEAEMP CC[N@@H+](CCOc1ccccc1C[NH2+]C)[C@H](C)COC ZINC000052504856 521153255 /nfs/dbraw/zinc/15/32/55/521153255.db2.gz NYVYYQGEHYQZDS-CQSZACIVSA-N 2 1 280.412 2.142 10 0 CEAEMP CCC(CC)[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052478135 521543694 /nfs/dbraw/zinc/54/36/94/521543694.db2.gz QVPPEWSGYURPDY-UHFFFAOYSA-N 2 1 281.448 2.287 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482371 522095597 /nfs/dbraw/zinc/09/55/97/522095597.db2.gz BGUQYOPTEXMASA-ZJIFWQFVSA-N 2 1 266.429 2.266 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1ccoc1C[NH2+]CC(C)C ZINC000052511965 522218647 /nfs/dbraw/zinc/21/86/47/522218647.db2.gz NBJWDQDSDUXTPK-CYBMUJFWSA-N 2 1 268.401 2.492 10 0 CEAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000050953907 518383896 /nfs/dbraw/zinc/38/38/96/518383896.db2.gz VMLFPPYCSHIOCV-GJZGRUSLSA-N 2 1 252.402 2.020 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000053012180 518763153 /nfs/dbraw/zinc/76/31/53/518763153.db2.gz KLZUKUHWIPVTID-CQSZACIVSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000053012180 518763157 /nfs/dbraw/zinc/76/31/57/518763157.db2.gz KLZUKUHWIPVTID-CQSZACIVSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951971 519613525 /nfs/dbraw/zinc/61/35/25/519613525.db2.gz MHXLKCQCQNRKMK-HNNXBMFYSA-N 2 1 283.460 2.145 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H](C)C2)O1 ZINC000052381579 519725815 /nfs/dbraw/zinc/72/58/15/519725815.db2.gz UKMHIRHPMVTHPO-KFWWJZLASA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[NH2+]Cc1cn(CC[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000052513800 519728210 /nfs/dbraw/zinc/72/82/10/519728210.db2.gz ZBVDIPJBAJWAHH-GDBMZVCRSA-N 2 1 293.459 2.287 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507665 519746551 /nfs/dbraw/zinc/74/65/51/519746551.db2.gz DJFNAIBBOZQNMP-IXDOHACOSA-N 2 1 298.471 2.281 10 0 CEAEMP CCC[NH2+]C[C@@H](C)C[N@H+](CCN(C)C)CC(C)C ZINC000052503295 519920422 /nfs/dbraw/zinc/92/04/22/519920422.db2.gz VIBQGCSTOHONMT-OAHLLOKOSA-N 2 1 257.466 2.142 10 0 CEAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](CCN(C)C)CC(C)C ZINC000052503295 519920426 /nfs/dbraw/zinc/92/04/26/519920426.db2.gz VIBQGCSTOHONMT-OAHLLOKOSA-N 2 1 257.466 2.142 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481012 519923988 /nfs/dbraw/zinc/92/39/88/519923988.db2.gz BQLQLBBPCVYETP-JKSUJKDBSA-N 2 1 277.412 2.061 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2C)O1 ZINC000052379025 519925312 /nfs/dbraw/zinc/92/53/12/519925312.db2.gz OLJZCHXBBOXSPP-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](CCCOC)CCOC)o1 ZINC000052543238 519947038 /nfs/dbraw/zinc/94/70/38/519947038.db2.gz DDWJJOGAGQUXDK-UHFFFAOYSA-N 2 1 298.427 2.264 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)CCOC)cc1 ZINC000052572917 519948119 /nfs/dbraw/zinc/94/81/19/519948119.db2.gz IXEWIQKCEGAJOF-UHFFFAOYSA-N 2 1 250.386 2.264 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419165 519981037 /nfs/dbraw/zinc/98/10/37/519981037.db2.gz LTSVUODGFRJQGT-IAGOWNOFSA-N 2 1 274.408 2.202 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416591 519981789 /nfs/dbraw/zinc/98/17/89/519981789.db2.gz WQULCUMJCYVVCC-ZIAGYGMSSA-N 2 1 280.437 2.263 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000052476329 520005134 /nfs/dbraw/zinc/00/51/34/520005134.db2.gz PIPIUQUDNOYEJQ-KBPBESRZSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000052476329 520005140 /nfs/dbraw/zinc/00/51/40/520005140.db2.gz PIPIUQUDNOYEJQ-KBPBESRZSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](CCOC)CC(C)C ZINC000052508492 520011252 /nfs/dbraw/zinc/01/12/52/520011252.db2.gz JLOBKECBGPCOCJ-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453272 520031757 /nfs/dbraw/zinc/03/17/57/520031757.db2.gz AGVDTSVCLWALTP-GFCCVEGCSA-N 2 1 254.399 2.326 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636765 520115273 /nfs/dbraw/zinc/11/52/73/520115273.db2.gz CZKHFRUFZMFISR-OFQRWUPVSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636765 520115280 /nfs/dbraw/zinc/11/52/80/520115280.db2.gz CZKHFRUFZMFISR-OFQRWUPVSA-N 2 1 285.476 2.375 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648123 520144764 /nfs/dbraw/zinc/14/47/64/520144764.db2.gz BZUDOFCBFNNCQD-ZOBUZTSGSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648123 520144771 /nfs/dbraw/zinc/14/47/71/520144771.db2.gz BZUDOFCBFNNCQD-ZOBUZTSGSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000054909513 520181934 /nfs/dbraw/zinc/18/19/34/520181934.db2.gz ZEALKKLZJORNBP-LLVKDONJSA-N 2 1 280.441 2.098 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C)(CC)CC1)C(N)=O ZINC000068645157 520236409 /nfs/dbraw/zinc/23/64/09/520236409.db2.gz IPBMXPGBHPYZPB-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CC1(C)COCC[N@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000048926439 520502689 /nfs/dbraw/zinc/50/26/89/520502689.db2.gz UOABBEBEQUUSPI-UHFFFAOYSA-N 2 1 278.396 2.025 10 0 CEAEMP CC[N@@H+](Cc1cccc(C[NH2+]C)c1)[C@@H](C)COC ZINC000052504739 521340056 /nfs/dbraw/zinc/34/00/56/521340056.db2.gz POFGTDAVUDQZPS-ZDUSSCGKSA-N 2 1 250.386 2.263 10 0 CEAEMP CC[N@H+](Cc1occc1C[NH2+]C)Cc1ccncc1 ZINC000052514926 521469233 /nfs/dbraw/zinc/46/92/33/521469233.db2.gz POXRSWBTZJXQHS-UHFFFAOYSA-N 2 1 259.353 2.416 10 0 CEAEMP CC[N@@H+](Cc1occc1C[NH2+]C)Cc1ccncc1 ZINC000052514926 521469240 /nfs/dbraw/zinc/46/92/40/521469240.db2.gz POXRSWBTZJXQHS-UHFFFAOYSA-N 2 1 259.353 2.416 10 0 CEAEMP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049553834 521583182 /nfs/dbraw/zinc/58/31/82/521583182.db2.gz YZZAHSGWWSZPAN-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2cc(N)ccc21 ZINC000052842656 521640986 /nfs/dbraw/zinc/64/09/86/521640986.db2.gz FUGFTBMUPWPGLO-CYBMUJFWSA-N 2 1 258.369 2.411 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2cc(N)ccc21 ZINC000052842656 521640988 /nfs/dbraw/zinc/64/09/88/521640988.db2.gz FUGFTBMUPWPGLO-CYBMUJFWSA-N 2 1 258.369 2.411 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@@]2(C)C2CC2)c1C ZINC000068696410 521810930 /nfs/dbraw/zinc/81/09/30/521810930.db2.gz UHMFMNSREGTFBC-KRWDZBQOSA-N 2 1 289.423 2.281 10 0 CEAEMP C[NH2+]CCC[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417244 522000131 /nfs/dbraw/zinc/00/01/31/522000131.db2.gz FATLSQNFRRBMCZ-ZDUSSCGKSA-N 2 1 292.423 2.450 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000052453538 522118542 /nfs/dbraw/zinc/11/85/42/522118542.db2.gz WFFONAIYEKPQBY-CQSZACIVSA-N 2 1 250.411 2.343 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCCC[C@@H](C)[NH2+]C)CC1 ZINC000055065103 522118564 /nfs/dbraw/zinc/11/85/64/522118564.db2.gz GZHUZHILKFJLOS-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CN(C)c1nc(N2CCCC[C@@H]2C[NH2+]C(C)(C)C)cc[nH+]1 ZINC000068690245 522363312 /nfs/dbraw/zinc/36/33/12/522363312.db2.gz LONLDPXVZQMLCS-CYBMUJFWSA-N 2 1 291.443 2.290 10 0 CEAEMP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000051086841 522503949 /nfs/dbraw/zinc/50/39/49/522503949.db2.gz WZGKWJRJBZVADT-QEJZJMRPSA-N 2 1 260.381 2.062 10 0 CEAEMP C[NH2+][C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000051086841 522503942 /nfs/dbraw/zinc/50/39/42/522503942.db2.gz WZGKWJRJBZVADT-QEJZJMRPSA-N 2 1 260.381 2.062 10 0 CEAEMP C[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000068643089 522521409 /nfs/dbraw/zinc/52/14/09/522521409.db2.gz PKIQXHYGGUDIGF-GDBMZVCRSA-N 2 1 295.471 2.275 10 0 CEAEMP C[N@@H+](CCC[C@@H]1CCCC[NH2+]1)CCc1ccccn1 ZINC000050952484 522787802 /nfs/dbraw/zinc/78/78/02/522787802.db2.gz CKUBDPPBCZMPLA-HNNXBMFYSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642541 523186443 /nfs/dbraw/zinc/18/64/43/523186443.db2.gz USWSIGFDDOHJFA-CAOSSQGBSA-N 2 1 267.461 2.166 10 0 CEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061642541 523186451 /nfs/dbraw/zinc/18/64/51/523186451.db2.gz USWSIGFDDOHJFA-CAOSSQGBSA-N 2 1 267.461 2.166 10 0 CEAEMP C[N@H+](Cc1ccccn1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052478893 523395386 /nfs/dbraw/zinc/39/53/86/523395386.db2.gz PVNCVNCNRZZJGZ-JKSUJKDBSA-N 2 1 291.439 2.449 10 0 CEAEMP C[N@@H+](Cc1ccoc1C[NH2+]C1CC1)[C@@H]1CCSC1 ZINC000052453285 523478072 /nfs/dbraw/zinc/47/80/72/523478072.db2.gz VDNJMAKRLHKEDL-CYBMUJFWSA-N 2 1 266.410 2.469 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570855 523508988 /nfs/dbraw/zinc/50/89/88/523508988.db2.gz OJCRSDWERWWEQV-XJKSGUPXSA-N 2 1 262.397 2.405 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)oc1C ZINC000052572955 523618933 /nfs/dbraw/zinc/61/89/33/523618933.db2.gz AHWWOLIUHCOAGO-UHFFFAOYSA-N 2 1 268.401 2.412 10 0 CEAEMP COCC[N@@H+](C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052572817 523624256 /nfs/dbraw/zinc/62/42/56/523624256.db2.gz MZDNDUVVNVVXTN-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP COCC[N@@H+](C[C@H](C)C[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545312 523733554 /nfs/dbraw/zinc/73/35/54/523733554.db2.gz KFCHDDWMYMOWCX-OLZOCXBDSA-N 2 1 254.418 2.121 10 0 CEAEMP COCC[N@@H+](Cc1cc(C[NH3+])oc1C)[C@H](C)C1CC1 ZINC000052545388 523740165 /nfs/dbraw/zinc/74/01/65/523740165.db2.gz SALUEJCDFWYSED-LLVKDONJSA-N 2 1 266.385 2.294 10 0 CEAEMP C[N@H+]1CCCN(Cc2csc(C[NH2+]C(C)(C)C)n2)CC1 ZINC000052424067 523810443 /nfs/dbraw/zinc/81/04/43/523810443.db2.gz JGQAZPCCVNNYML-UHFFFAOYSA-N 2 1 296.484 2.169 10 0 CEAEMP C[C@H](CCC[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000052484222 524140618 /nfs/dbraw/zinc/14/06/18/524140618.db2.gz ILEOSCAMPZLVRG-CQSZACIVSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@H](C[NH+]1CCCCC1)NCC[C@@H]1CCCC[N@H+]1C ZINC000052206002 524333983 /nfs/dbraw/zinc/33/39/83/524333983.db2.gz QBWFBTIETZPQRR-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CCC[C@](CNc2cc[nH+]c(N(C)C)n2)([NH+](C)C)C1 ZINC000068690097 524430262 /nfs/dbraw/zinc/43/02/62/524430262.db2.gz NIPPFBJYJXUENC-CJNGLKHVSA-N 2 1 291.443 2.465 10 0 CEAEMP C[C@H](CNCC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000052206192 524484588 /nfs/dbraw/zinc/48/45/88/524484588.db2.gz HXALIZKWYXZSRG-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H](C[NH+]1CCCCC1)NCC[C@H]1CCCC[N@H+]1C ZINC000052206003 524604732 /nfs/dbraw/zinc/60/47/32/524604732.db2.gz QBWFBTIETZPQRR-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087210 525107706 /nfs/dbraw/zinc/10/77/06/525107706.db2.gz SVZYNCTXAAQQOK-FMKPAKJESA-N 2 1 274.408 2.310 10 0 CEAEMP Cc1ccccc1C[N@H+](C)Cc1cc[nH+]c(NN)c1 ZINC000052721485 525127707 /nfs/dbraw/zinc/12/77/07/525127707.db2.gz WJJUKJHLUANZSR-UHFFFAOYSA-N 2 1 256.353 2.308 10 0 CEAEMP Cc1ccccc1C[N@@H+](C)Cc1cc[nH+]c(NN)c1 ZINC000052721485 525127722 /nfs/dbraw/zinc/12/77/22/525127722.db2.gz WJJUKJHLUANZSR-UHFFFAOYSA-N 2 1 256.353 2.308 10 0 CEAEMP c1ccc(C[C@H]2C[N@H+](C[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000062668031 526476416 /nfs/dbraw/zinc/47/64/16/526476416.db2.gz RQGHYZWCHOMHNH-IRXDYDNUSA-N 2 1 274.408 2.072 10 0 CEAEMP c1ccc(C[C@H]2C[N@@H+](C[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000062668031 526476423 /nfs/dbraw/zinc/47/64/23/526476423.db2.gz RQGHYZWCHOMHNH-IRXDYDNUSA-N 2 1 274.408 2.072 10 0 CEAEMP Cc1oc(C[NH2+]C(C)C)cc1CN1CCC[N@@H+](C)CC1 ZINC000052424398 526775159 /nfs/dbraw/zinc/77/51/59/526775159.db2.gz MNRDFYPDLSNDMQ-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)ccn1 ZINC000068749628 527248054 /nfs/dbraw/zinc/24/80/54/527248054.db2.gz NQOBRBJCADZQNA-INIZCTEOSA-N 2 1 268.364 2.272 10 0 CEAEMP [NH3+]Cc1occc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417314 527269338 /nfs/dbraw/zinc/26/93/38/527269338.db2.gz GPAPKTRIEUUDTE-UHFFFAOYSA-N 2 1 271.364 2.061 10 0 CEAEMP Cc1[nH+]cn(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593729 527462717 /nfs/dbraw/zinc/46/27/17/527462717.db2.gz YXZWUPSHNJGJOU-UONOGXRCSA-N 2 1 265.401 2.436 10 0 CEAEMP CC(C)[C@H]1O[C@@]2(CCC[N@@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143747 574510269 /nfs/dbraw/zinc/51/02/69/574510269.db2.gz MQOJBJFFNDGCGV-UKRRQHHQSA-N 2 1 252.402 2.223 10 0 CEAEMP CC[NH+]1CCC2(CC1)[NH2+]CC1(CC1)[C@@H](C(C)C)O2 ZINC000757146390 574510416 /nfs/dbraw/zinc/51/04/16/574510416.db2.gz RGYBDSHAJOUJLN-CYBMUJFWSA-N 2 1 252.402 2.223 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000309932778 628230848 /nfs/dbraw/zinc/23/08/48/628230848.db2.gz WZLAKURBYHXWJM-FJIDUMEYSA-N 2 1 286.419 2.276 10 0 CEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261890441 629304695 /nfs/dbraw/zinc/30/46/95/629304695.db2.gz TUWLGWBEGYHDQM-NEPJUHHUSA-N 2 1 286.379 2.095 10 0 CEAEMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261905716 629310043 /nfs/dbraw/zinc/31/00/43/629310043.db2.gz IEJJHBAHDUNSQD-FVQBIDKESA-N 2 1 278.371 2.072 10 0 CEAEMP CC[NH+]1CCN(c2nc(C(C)C)c(C[NH2+]C)s2)CC1 ZINC000082434909 178012011 /nfs/dbraw/zinc/01/20/11/178012011.db2.gz PGYUHRPCKUNNMF-UHFFFAOYSA-N 2 1 282.457 2.128 10 0 CEAEMP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082728996 178245518 /nfs/dbraw/zinc/24/55/18/178245518.db2.gz VBGCYWBAEZHRIR-ZBFHGGJFSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082728996 178245519 /nfs/dbraw/zinc/24/55/19/178245519.db2.gz VBGCYWBAEZHRIR-ZBFHGGJFSA-N 2 1 260.381 2.269 10 0 CEAEMP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000096081866 185091375 /nfs/dbraw/zinc/09/13/75/185091375.db2.gz UETUPBQDOZNYQN-ZMSDIMECSA-N 2 1 273.424 2.491 10 0 CEAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262795 539211693 /nfs/dbraw/zinc/21/16/93/539211693.db2.gz QVGLTCVDVABRDZ-VXGBXAGGSA-N 2 1 258.287 2.500 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000146890276 344411100 /nfs/dbraw/zinc/41/11/00/344411100.db2.gz IFNPDRDKKJAXSO-GOSISDBHSA-N 2 1 287.451 2.146 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCC[N@@H+](C)CC1CCC1 ZINC000085211085 178973353 /nfs/dbraw/zinc/97/33/53/178973353.db2.gz XEQOYUVGMQHJOH-OAHLLOKOSA-N 2 1 256.434 2.249 10 0 CEAEMP C[C@@H]1CCCCC[N@@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085302722 179011589 /nfs/dbraw/zinc/01/15/89/179011589.db2.gz UBTTYPHCRQSMQS-ZBFHGGJFSA-N 2 1 262.397 2.097 10 0 CEAEMP C[C@@H]1CCCCC[N@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085302722 179011591 /nfs/dbraw/zinc/01/15/91/179011591.db2.gz UBTTYPHCRQSMQS-ZBFHGGJFSA-N 2 1 262.397 2.097 10 0 CEAEMP CC[N@H+]1CCC[C@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568659 179095227 /nfs/dbraw/zinc/09/52/27/179095227.db2.gz ZZBXKGMBAGWYPG-ZDUSSCGKSA-N 2 1 290.455 2.311 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1Cc1cnn(C)c1 ZINC000085624762 179106795 /nfs/dbraw/zinc/10/67/95/179106795.db2.gz WZWXVVWBWCFGCJ-JSGCOSHPSA-N 2 1 264.417 2.019 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1Cc1cnn(C)c1 ZINC000085624762 179106797 /nfs/dbraw/zinc/10/67/97/179106797.db2.gz WZWXVVWBWCFGCJ-JSGCOSHPSA-N 2 1 264.417 2.019 10 0 CEAEMP Cc1nccn1CC[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615127 179104505 /nfs/dbraw/zinc/10/45/05/179104505.db2.gz GGNIBEFODAFTRA-KRWDZBQOSA-N 2 1 290.455 2.436 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1[C@@H]1CCOC1 ZINC000085621005 179105453 /nfs/dbraw/zinc/10/54/53/179105453.db2.gz UVKLIGOQNKZWPG-UONOGXRCSA-N 2 1 252.402 2.162 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCN[C@](C)(c3ccccc3)C2)CC1 ZINC000086145632 179238127 /nfs/dbraw/zinc/23/81/27/179238127.db2.gz YQBFCALAQUEUIU-SFHVURJKSA-N 2 1 287.451 2.149 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223002 179250441 /nfs/dbraw/zinc/25/04/41/179250441.db2.gz MFKFJXXQPKMTJK-OIISXLGYSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259606 179257689 /nfs/dbraw/zinc/25/76/89/179257689.db2.gz AFYUEYGOKHSYPI-NUEKZKHPSA-N 2 1 279.472 2.322 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259605 179258725 /nfs/dbraw/zinc/25/87/25/179258725.db2.gz AFYUEYGOKHSYPI-FVQBIDKESA-N 2 1 279.472 2.322 10 0 CEAEMP CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CCCC[NH+](C)C ZINC000086261081 179260329 /nfs/dbraw/zinc/26/03/29/179260329.db2.gz XVEIEQMMYQTHJD-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1CN[C@](C)(CC)C[N@H+]1CCCC[NH+](C)C ZINC000086261081 179260331 /nfs/dbraw/zinc/26/03/31/179260331.db2.gz XVEIEQMMYQTHJD-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1C[N@H+](CCOc2cccc(C)c2)CCC[NH2+]1 ZINC000086291092 179265232 /nfs/dbraw/zinc/26/52/32/179265232.db2.gz AGVYYOYEZYRNRG-OAHLLOKOSA-N 2 1 262.397 2.448 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCOc2cccc(C)c2)CCC[NH2+]1 ZINC000086291092 179265233 /nfs/dbraw/zinc/26/52/33/179265233.db2.gz AGVYYOYEZYRNRG-OAHLLOKOSA-N 2 1 262.397 2.448 10 0 CEAEMP C1CCC2(CC1)C[N@@H+]([C@H]1CN3CCC1CC3)CCC[NH2+]2 ZINC000086285927 179263820 /nfs/dbraw/zinc/26/38/20/179263820.db2.gz QEQUFRQAMLPIHQ-INIZCTEOSA-N 2 1 277.456 2.079 10 0 CEAEMP C1CCC2(CC1)C[N@H+]([C@H]1CN3CCC1CC3)CCC[NH2+]2 ZINC000086285927 179263822 /nfs/dbraw/zinc/26/38/22/179263822.db2.gz QEQUFRQAMLPIHQ-INIZCTEOSA-N 2 1 277.456 2.079 10 0 CEAEMP C[N@H+]1CCC[C@@H](N2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288943 179264414 /nfs/dbraw/zinc/26/44/14/179264414.db2.gz XJXCSLWXIISUNK-SJORKVTESA-N 2 1 273.424 2.117 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086289427 179264545 /nfs/dbraw/zinc/26/45/45/179264545.db2.gz XVIAUSSJDHVKEP-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)C[C@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288177 179264697 /nfs/dbraw/zinc/26/46/97/179264697.db2.gz AXWJJPPSJFWSAI-INIZCTEOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288177 179264699 /nfs/dbraw/zinc/26/46/99/179264699.db2.gz AXWJJPPSJFWSAI-INIZCTEOSA-N 2 1 261.413 2.334 10 0 CEAEMP C1CCC2(C1)CN([C@H]1CC[N@H+]3CCCC[C@@H]13)CCC[NH2+]2 ZINC000086290606 179265346 /nfs/dbraw/zinc/26/53/46/179265346.db2.gz HIYMAXAGUJWZLT-HOTGVXAUSA-N 2 1 277.456 2.221 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291674 179266602 /nfs/dbraw/zinc/26/66/02/179266602.db2.gz FCVJYIHWMMXMEM-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP C1CC1[N@H+]1CC[C@@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086291989 179266660 /nfs/dbraw/zinc/26/66/60/179266660.db2.gz GYIOFNBQBWRLTL-MSOLQXFVSA-N 2 1 291.483 2.467 10 0 CEAEMP CO[C@@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293532 179267435 /nfs/dbraw/zinc/26/74/35/179267435.db2.gz GDVFXJXNYGERHL-UONOGXRCSA-N 2 1 252.402 2.162 10 0 CEAEMP c1csc(CC[N@@H+]2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000086296848 179267501 /nfs/dbraw/zinc/26/75/01/179267501.db2.gz KAOLRCRTMNDCGW-UHFFFAOYSA-N 2 1 265.426 2.294 10 0 CEAEMP c1csc(CC[N@H+]2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000086296848 179267503 /nfs/dbraw/zinc/26/75/03/179267503.db2.gz KAOLRCRTMNDCGW-UHFFFAOYSA-N 2 1 265.426 2.294 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317355 179269811 /nfs/dbraw/zinc/26/98/11/179269811.db2.gz VSZPLXYSJSYTRQ-CJNGLKHVSA-N 2 1 255.365 2.447 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317355 179269813 /nfs/dbraw/zinc/26/98/13/179269813.db2.gz VSZPLXYSJSYTRQ-CJNGLKHVSA-N 2 1 255.365 2.447 10 0 CEAEMP CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC[N@H+]1C ZINC000086444158 179293764 /nfs/dbraw/zinc/29/37/64/179293764.db2.gz DPGHZHBLIQCFEA-MNOVXSKESA-N 2 1 280.441 2.010 10 0 CEAEMP [NH3+]CCC[N@@H+]1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577481 179308560 /nfs/dbraw/zinc/30/85/60/179308560.db2.gz LUXKONOWSVITJT-UHFFFAOYSA-N 2 1 295.471 2.230 10 0 CEAEMP [NH3+]CCC[N@H+]1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577481 179308563 /nfs/dbraw/zinc/30/85/63/179308563.db2.gz LUXKONOWSVITJT-UHFFFAOYSA-N 2 1 295.471 2.230 10 0 CEAEMP CCC(CC)[C@H](CN[C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817436 179344955 /nfs/dbraw/zinc/34/49/55/179344955.db2.gz AAABTIGNWLUIFL-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@H](OCC)C2)CC1 ZINC000086848057 179356259 /nfs/dbraw/zinc/35/62/59/179356259.db2.gz ASJRPOKMUDREDW-DLBZAZTESA-N 2 1 297.487 2.081 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccc(C)o2)CC1 ZINC000086846954 179356946 /nfs/dbraw/zinc/35/69/46/179356946.db2.gz VSZLDEUFOZLYII-MRXNPFEDSA-N 2 1 279.428 2.223 10 0 CEAEMP CCOC(=O)C[C@]1([NH+]2CCCCC2)CCC[N@@H+](C)CC1 ZINC000086834409 179349817 /nfs/dbraw/zinc/34/98/17/179349817.db2.gz FGMHNWJJIOSOBP-INIZCTEOSA-N 2 1 282.428 2.280 10 0 CEAEMP CC[NH+](CC)CCCN[C@H]1CCC[N@@H+](CC)CC1 ZINC000086835636 179349885 /nfs/dbraw/zinc/34/98/85/179349885.db2.gz PCJXORPSKOVZTC-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[N@H+](CC)CC1 ZINC000086835636 179349886 /nfs/dbraw/zinc/34/98/86/179349886.db2.gz PCJXORPSKOVZTC-HNNXBMFYSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[N@@H+](CC)CC1 ZINC000086835636 179349887 /nfs/dbraw/zinc/34/98/87/179349887.db2.gz PCJXORPSKOVZTC-HNNXBMFYSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836669 179350887 /nfs/dbraw/zinc/35/08/87/179350887.db2.gz XABTUBLZJFHFFU-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086836780 179351851 /nfs/dbraw/zinc/35/18/51/179351851.db2.gz HHHWGRIMTSPTHR-HNNXBMFYSA-N 2 1 277.412 2.443 10 0 CEAEMP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C(C)C)CC2)cn1 ZINC000086836780 179351852 /nfs/dbraw/zinc/35/18/52/179351852.db2.gz HHHWGRIMTSPTHR-HNNXBMFYSA-N 2 1 277.412 2.443 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843069 179353159 /nfs/dbraw/zinc/35/31/59/179353159.db2.gz RBMKJDFPXIQVEB-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843069 179353161 /nfs/dbraw/zinc/35/31/61/179353161.db2.gz RBMKJDFPXIQVEB-LSDHHAIUSA-N 3 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843069 179353162 /nfs/dbraw/zinc/35/31/62/179353162.db2.gz RBMKJDFPXIQVEB-LSDHHAIUSA-N 3 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840480 179353341 /nfs/dbraw/zinc/35/33/41/179353341.db2.gz UNZPMYASGDISJK-GJZGRUSLSA-N 2 1 264.417 2.126 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842121 179353866 /nfs/dbraw/zinc/35/38/66/179353866.db2.gz FEIHAOBTFBMJCY-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP COc1ccc(C[N@H+](C)[C@@]2(C[NH3+])CCCOCC2)cc1 ZINC000086875137 179364546 /nfs/dbraw/zinc/36/45/46/179364546.db2.gz NUCAEXLKHVRWQE-INIZCTEOSA-N 2 1 278.396 2.025 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCOCC2)cc1 ZINC000086875137 179364547 /nfs/dbraw/zinc/36/45/47/179364547.db2.gz NUCAEXLKHVRWQE-INIZCTEOSA-N 2 1 278.396 2.025 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850905 179358273 /nfs/dbraw/zinc/35/82/73/179358273.db2.gz SSLLFILKPJXTND-YESZJQIVSA-N 2 1 279.472 2.466 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851239 179359024 /nfs/dbraw/zinc/35/90/24/179359024.db2.gz LKRGQEPDBKLIRV-MRXNPFEDSA-N 3 1 267.461 2.182 10 0 CEAEMP CCN1CCC[C@@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851239 179359026 /nfs/dbraw/zinc/35/90/26/179359026.db2.gz LKRGQEPDBKLIRV-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000087017731 179380696 /nfs/dbraw/zinc/38/06/96/179380696.db2.gz QZHDRGFSMYZDEL-KBPBESRZSA-N 2 1 254.418 2.002 10 0 CEAEMP CCC[NH2+][C@H](CSCC)Cc1c[nH+]ccc1N ZINC000087106222 179394557 /nfs/dbraw/zinc/39/45/57/179394557.db2.gz VCRPSSNZKVMJRB-LBPRGKRZSA-N 2 1 253.415 2.328 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C[NH3+])c2)C1 ZINC000087825786 179494789 /nfs/dbraw/zinc/49/47/89/179494789.db2.gz ZJERAQNGWSSZDJ-OAHLLOKOSA-N 2 1 278.396 2.155 10 0 CEAEMP C[NH+](C)[C@H](CN[C@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911722 187399070 /nfs/dbraw/zinc/39/90/70/187399070.db2.gz ZKUOPKUHZOVJHC-QWHCGFSZSA-N 2 1 267.442 2.083 10 0 CEAEMP C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400440244 233178619 /nfs/dbraw/zinc/17/86/19/233178619.db2.gz MFCTZYWUHDVTRK-PBHICJAKSA-N 2 1 284.407 2.019 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](CC(C)C)C(C)C ZINC000090566554 180006577 /nfs/dbraw/zinc/00/65/77/180006577.db2.gz DVTZMSGUCOIBGH-HUUCEWRRSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC1CCC([N@H+](C)C[C@@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090606834 180011151 /nfs/dbraw/zinc/01/11/51/180011151.db2.gz BWKDKCVTJUIXGZ-WUCCLRPBSA-N 2 1 254.418 2.251 10 0 CEAEMP CCC1CCC([N@@H+](C)C[C@@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090606834 180011152 /nfs/dbraw/zinc/01/11/52/180011152.db2.gz BWKDKCVTJUIXGZ-WUCCLRPBSA-N 2 1 254.418 2.251 10 0 CEAEMP C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878927 180052738 /nfs/dbraw/zinc/05/27/38/180052738.db2.gz DQMOFVCAEGQLGI-IOASZLSFSA-N 2 1 292.398 2.449 10 0 CEAEMP CC[C@](C)(C[NH3+])[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377209 539759007 /nfs/dbraw/zinc/75/90/07/539759007.db2.gz JKUUEVKERJUDRF-IAGOWNOFSA-N 2 1 276.424 2.389 10 0 CEAEMP C[C@H]1CCC[N@@H+](Cc2csc(CC[NH3+])n2)CC1 ZINC000090958667 180074542 /nfs/dbraw/zinc/07/45/42/180074542.db2.gz UXQABWCLJWKIGJ-NSHDSACASA-N 2 1 253.415 2.266 10 0 CEAEMP c1ccc2c(c1)C[C@H]2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000090976397 180079156 /nfs/dbraw/zinc/07/91/56/180079156.db2.gz SIIOSUBEOMLPPH-HIFRSBDPSA-N 2 1 256.393 2.400 10 0 CEAEMP c1ccc2c(c1)C[C@H]2C[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000090992961 180082488 /nfs/dbraw/zinc/08/24/88/180082488.db2.gz XRUURNKWCMUICQ-HIFRSBDPSA-N 2 1 256.393 2.400 10 0 CEAEMP CC(C)[N@H+]1CCO[C@@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000091004116 180084298 /nfs/dbraw/zinc/08/42/98/180084298.db2.gz TWFRVFWKHBQQGR-INIZCTEOSA-N 2 1 293.455 2.485 10 0 CEAEMP CC[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1C ZINC000091362846 180142145 /nfs/dbraw/zinc/14/21/45/180142145.db2.gz DRBMGDQTYQBGLP-NXOAAHMSSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)C[NH2+]Cc1cncc(OC[C@H]2CCCC[N@H+]2C)n1 ZINC000091435566 180154469 /nfs/dbraw/zinc/15/44/69/180154469.db2.gz CWCXFQRZEKHXMW-OAHLLOKOSA-N 2 1 292.427 2.085 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091491152 180169571 /nfs/dbraw/zinc/16/95/71/180169571.db2.gz QBXFGAWDXHCVLO-UHFFFAOYSA-N 2 1 268.445 2.105 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490559 180169673 /nfs/dbraw/zinc/16/96/73/180169673.db2.gz UXSNZQSQGADDKF-BHDPWAOGSA-N 2 1 268.445 2.248 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+](CCCO)C(C)C ZINC000091404451 180147440 /nfs/dbraw/zinc/14/74/40/180147440.db2.gz JBRGBKDXEUXVNL-CQSZACIVSA-N 2 1 258.450 2.494 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000091429097 180152716 /nfs/dbraw/zinc/15/27/16/180152716.db2.gz HBBDTBIRPULMLT-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091429097 180152718 /nfs/dbraw/zinc/15/27/18/180152718.db2.gz HBBDTBIRPULMLT-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCc1cc(C[C@@H]([NH3+])[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605403 180204377 /nfs/dbraw/zinc/20/43/77/180204377.db2.gz FJFDOCCNWRTKMI-CVEARBPZSA-N 2 1 278.444 2.117 10 0 CEAEMP CCn1cc(C[C@@H]([NH3+])[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605031 180204550 /nfs/dbraw/zinc/20/45/50/180204550.db2.gz CZDYLQNQVZCHMR-CABCVRRESA-N 2 1 264.417 2.037 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C1(N(C)C)CCCCC1 ZINC000091647431 180215188 /nfs/dbraw/zinc/21/51/88/180215188.db2.gz CSWNFSKTOGKLNK-HNNXBMFYSA-N 2 1 276.428 2.059 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(C)c1)C1([NH+](C)C)CCCCC1 ZINC000091647783 180215818 /nfs/dbraw/zinc/21/58/18/180215818.db2.gz CUHSXABZLCLANL-OAHLLOKOSA-N 2 1 278.444 2.205 10 0 CEAEMP CC[NH2+][C@@H](CC[NH+](CC)CC)c1cnn(CC)c1 ZINC000091716630 180232663 /nfs/dbraw/zinc/23/26/63/180232663.db2.gz MAZYRXMFCNJLPG-AWEZNQCLSA-N 2 1 252.406 2.286 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)ccc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721245 180238242 /nfs/dbraw/zinc/23/82/42/180238242.db2.gz UZYDKVROJORYRA-KURKYZTESA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)ccc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721245 180238244 /nfs/dbraw/zinc/23/82/44/180238244.db2.gz UZYDKVROJORYRA-KURKYZTESA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@@H]1CCCc2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722456 180240305 /nfs/dbraw/zinc/24/03/05/180240305.db2.gz XQRIIDYUWVBCIT-NQBHXWOUSA-N 2 1 293.436 2.276 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091850895 180272452 /nfs/dbraw/zinc/27/24/52/180272452.db2.gz LACIUJMCMWWABU-ZUJMUWTESA-N 2 1 283.460 2.272 10 0 CEAEMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091850658 180272074 /nfs/dbraw/zinc/27/20/74/180272074.db2.gz JMTISHKWBYMKBB-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C1CCC([NH3+])CC1 ZINC000091850658 180272075 /nfs/dbraw/zinc/27/20/75/180272075.db2.gz JMTISHKWBYMKBB-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C1CCC([NH3+])CC1 ZINC000091850658 180272077 /nfs/dbraw/zinc/27/20/77/180272077.db2.gz JMTISHKWBYMKBB-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[N@H+](CC[C@H]1CCCCN1C)C1CCC([NH3+])CC1 ZINC000091850658 180272079 /nfs/dbraw/zinc/27/20/79/180272079.db2.gz JMTISHKWBYMKBB-HWOWSKLDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC[N@@H+](CC[C@H]1CCCCN1C)C1CCC([NH3+])CC1 ZINC000091850658 180272082 /nfs/dbraw/zinc/27/20/82/180272082.db2.gz JMTISHKWBYMKBB-HWOWSKLDSA-N 2 1 267.461 2.453 10 0 CEAEMP C[NH2+]C1CCC([N@H+](C)Cc2csc(NC(C)=O)n2)CC1 ZINC000091872831 180277890 /nfs/dbraw/zinc/27/78/90/180277890.db2.gz PPSIZNLIRBILIP-UHFFFAOYSA-N 2 1 296.440 2.064 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2csc(NC(C)=O)n2)CC1 ZINC000091872831 180277891 /nfs/dbraw/zinc/27/78/91/180277891.db2.gz PPSIZNLIRBILIP-UHFFFAOYSA-N 2 1 296.440 2.064 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000092003620 180304232 /nfs/dbraw/zinc/30/42/32/180304232.db2.gz YQKAHUQTJCTYLA-CABCVRRESA-N 2 1 291.439 2.446 10 0 CEAEMP CCC[NH2+][C@](C)(CO)C[C@H](C)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090268 180322295 /nfs/dbraw/zinc/32/22/95/180322295.db2.gz UBGRKYFYKITKBL-XGUBFFRZSA-N 2 1 256.434 2.103 10 0 CEAEMP C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298023 180358566 /nfs/dbraw/zinc/35/85/66/180358566.db2.gz MYSUTQPVHLZFSI-RBSFLKMASA-N 2 1 274.408 2.483 10 0 CEAEMP CC[NH2+]C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092298006 180358922 /nfs/dbraw/zinc/35/89/22/180358922.db2.gz XVBOXFDZKFQRFF-ZDUSSCGKSA-N 2 1 260.381 2.237 10 0 CEAEMP COc1ccc2c(c1)[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000092387318 180374409 /nfs/dbraw/zinc/37/44/09/180374409.db2.gz YPTIBYLRSCGBHN-JKIFEVAISA-N 2 1 272.392 2.224 10 0 CEAEMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000107347644 186170173 /nfs/dbraw/zinc/17/01/73/186170173.db2.gz HVPBJHHUCMEGDG-INIZCTEOSA-N 2 1 297.487 2.489 10 0 CEAEMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000109603756 186267251 /nfs/dbraw/zinc/26/72/51/186267251.db2.gz XGBGGPIXQLEHSN-CYBMUJFWSA-N 2 1 294.370 2.060 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000109604171 186267287 /nfs/dbraw/zinc/26/72/87/186267287.db2.gz XLHQZHYGXRHRDL-HNNXBMFYSA-N 2 1 294.370 2.202 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000110812120 186326246 /nfs/dbraw/zinc/32/62/46/186326246.db2.gz KFJNMGKKYISXGX-CQSZACIVSA-N 2 1 293.459 2.288 10 0 CEAEMP CC[N@H+](CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110942921 186334267 /nfs/dbraw/zinc/33/42/67/186334267.db2.gz ITVICULRHSYAEY-HNNXBMFYSA-N 2 1 275.396 2.089 10 0 CEAEMP CC[N@@H+](CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110942921 186334269 /nfs/dbraw/zinc/33/42/69/186334269.db2.gz ITVICULRHSYAEY-HNNXBMFYSA-N 2 1 275.396 2.089 10 0 CEAEMP COc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704705 186314420 /nfs/dbraw/zinc/31/44/20/186314420.db2.gz VDKHMLKETKHVBN-CJNGLKHVSA-N 2 1 291.439 2.110 10 0 CEAEMP CCOc1cccc([C@H](C[NH3+])N2CC[N@@H+](C)[C@@H](CC)C2)c1 ZINC000110710079 186315907 /nfs/dbraw/zinc/31/59/07/186315907.db2.gz WDBCVWYUVVYEDQ-RDJZCZTQSA-N 2 1 291.439 2.111 10 0 CEAEMP COc1ccc(C)cc1[C@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716389 186316479 /nfs/dbraw/zinc/31/64/79/186316479.db2.gz GFIHNCOTJBSSSM-OAHLLOKOSA-N 2 1 291.439 2.029 10 0 CEAEMP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717148 186316552 /nfs/dbraw/zinc/31/65/52/186316552.db2.gz IMFONBICKLPSAG-GDBMZVCRSA-N 2 1 275.440 2.362 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2cc(C)ccc2C)CC[N@H+]1C ZINC000110709871 186316595 /nfs/dbraw/zinc/31/65/95/186316595.db2.gz IJYUJRQINISYNR-RDJZCZTQSA-N 2 1 275.440 2.329 10 0 CEAEMP CC(C)[NH2+]C[C@@H](c1ccccc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110752326 186321028 /nfs/dbraw/zinc/32/10/28/186321028.db2.gz YMRQZGBMMUCFHV-RDJZCZTQSA-N 2 1 275.440 2.362 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC[N@H+]1C ZINC000110752336 186322218 /nfs/dbraw/zinc/32/22/18/186322218.db2.gz DULRJURTFIAMFF-YOEHRIQHSA-N 2 1 273.424 2.116 10 0 CEAEMP C[C@@H](C[NH2+]Cc1cccs1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757902 186322238 /nfs/dbraw/zinc/32/22/38/186322238.db2.gz AWFWNRRUGIPSHS-ZDUSSCGKSA-N 2 1 281.469 2.252 10 0 CEAEMP CCOCC[N@@H+](CC)CC[C@H]([NH3+])c1ccccc1 ZINC000111122879 186354688 /nfs/dbraw/zinc/35/46/88/186354688.db2.gz IKLHEHMDCSIVEE-HNNXBMFYSA-N 2 1 250.386 2.435 10 0 CEAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174818 186364979 /nfs/dbraw/zinc/36/49/79/186364979.db2.gz FZRXDYQDNYCOGY-KBPBESRZSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@H+]2CCCSCC2)CCCOC1 ZINC000111328480 186399841 /nfs/dbraw/zinc/39/98/41/186399841.db2.gz KJPKUHNBGUXQAF-OAHLLOKOSA-N 2 1 286.485 2.220 10 0 CEAEMP C[N@@H+](CCOCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000309884126 539984448 /nfs/dbraw/zinc/98/44/48/539984448.db2.gz KPIJVKMQRBJYMD-MRXNPFEDSA-N 2 1 262.397 2.277 10 0 CEAEMP COc1cccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000133525878 366232284 /nfs/dbraw/zinc/23/22/84/366232284.db2.gz KIJGKXHYORIQLE-NVXWUHKLSA-N 2 1 291.439 2.030 10 0 CEAEMP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000079048004 363569803 /nfs/dbraw/zinc/56/98/03/363569803.db2.gz BHXDNCXTNKAVPA-NEPJUHHUSA-N 2 1 258.369 2.373 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccsc2)CC1 ZINC000179517774 189199129 /nfs/dbraw/zinc/19/91/29/189199129.db2.gz WKJNFMMLIDNJMV-ZDUSSCGKSA-N 2 1 282.453 2.273 10 0 CEAEMP OCC[C@@H]([NH2+]C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095078798 364334027 /nfs/dbraw/zinc/33/40/27/364334027.db2.gz OZUTYNJENZEIRC-SJLPKXTDSA-N 2 1 288.435 2.402 10 0 CEAEMP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000162616918 367173551 /nfs/dbraw/zinc/17/35/51/367173551.db2.gz PRYDOPYTDAMHAJ-HZPDHXFCSA-N 2 1 297.487 2.201 10 0 CEAEMP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000162616505 367173639 /nfs/dbraw/zinc/17/36/39/367173639.db2.gz PRYDOPYTDAMHAJ-HOTGVXAUSA-N 2 1 297.487 2.201 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631838448 367579468 /nfs/dbraw/zinc/57/94/68/367579468.db2.gz OPXXCPHKHMEIST-PWSUYJOCSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631838448 367579469 /nfs/dbraw/zinc/57/94/69/367579469.db2.gz OPXXCPHKHMEIST-PWSUYJOCSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000343585566 367900462 /nfs/dbraw/zinc/90/04/62/367900462.db2.gz BVOQBXMWBOMXRS-XOUADPBQSA-N 2 1 266.429 2.406 10 0 CEAEMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231462854 370480751 /nfs/dbraw/zinc/48/07/51/370480751.db2.gz QRNBYIJLNYMMLT-CQSZACIVSA-N 2 1 276.380 2.032 10 0 CEAEMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000250610032 371388023 /nfs/dbraw/zinc/38/80/23/371388023.db2.gz MJFONJPBMDTOLK-HZPDHXFCSA-N 2 1 262.397 2.184 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000250610032 371388027 /nfs/dbraw/zinc/38/80/27/371388027.db2.gz MJFONJPBMDTOLK-HZPDHXFCSA-N 2 1 262.397 2.184 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSc3ccccc3)C[C@H]12 ZINC000261558242 371645698 /nfs/dbraw/zinc/64/56/98/371645698.db2.gz DBNBYFAWUNPPNB-VHDGCEQUSA-N 2 1 262.422 2.448 10 0 CEAEMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261579781 371659290 /nfs/dbraw/zinc/65/92/90/371659290.db2.gz DXLJHONWXHRZEF-QEJZJMRPSA-N 2 1 260.381 2.254 10 0 CEAEMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261705950 371707101 /nfs/dbraw/zinc/70/71/01/371707101.db2.gz IYYWYKYXPCFQIV-XHSDSOJGSA-N 2 1 274.408 2.351 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000261792269 371734335 /nfs/dbraw/zinc/73/43/35/371734335.db2.gz GHFVTQIKRMWCOM-GUTXKFCHSA-N 2 1 278.371 2.394 10 0 CEAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261695775 371703067 /nfs/dbraw/zinc/70/30/67/371703067.db2.gz BIKQNICHZZKCAU-HOCLYGCPSA-N 3 1 276.428 2.082 10 0 CEAEMP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261925566 371772455 /nfs/dbraw/zinc/77/24/55/371772455.db2.gz LAMZDDDBZPYYEC-KFWWJZLASA-N 2 1 280.437 2.037 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]12 ZINC000261986725 371790558 /nfs/dbraw/zinc/79/05/58/371790558.db2.gz RYGFGUBYGZFCND-LEWSCRJBSA-N 2 1 288.420 2.307 10 0 CEAEMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456968 373126959 /nfs/dbraw/zinc/12/69/59/373126959.db2.gz KXMUMPRFORGTFT-OWCLPIDISA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456968 373126968 /nfs/dbraw/zinc/12/69/68/373126968.db2.gz KXMUMPRFORGTFT-OWCLPIDISA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456968 373126980 /nfs/dbraw/zinc/12/69/80/373126980.db2.gz KXMUMPRFORGTFT-OWCLPIDISA-N 3 1 267.461 2.229 10 0 CEAEMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000380177747 375160045 /nfs/dbraw/zinc/16/00/45/375160045.db2.gz ODQYIZCGMBJVNX-BPNCWPANSA-N 2 1 250.411 2.480 10 0 CEAEMP CC[C@H]1CC[C@@](C[NH3+])(N2CCC(C[NH+](C)C)CC2)C1 ZINC000080464608 177654711 /nfs/dbraw/zinc/65/47/11/177654711.db2.gz PGRZPRCRAVJCME-GOEBONIOSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[NH2+][C@]1(CO)CCC[C@H]1CCn1c[nH+]c(C)c1C ZINC000093618463 184696564 /nfs/dbraw/zinc/69/65/64/184696564.db2.gz HLDZLLAORHUZKG-HOTGVXAUSA-N 2 1 279.428 2.421 10 0 CEAEMP C(C1CC[NH2+]CC1)[N@@H+](C1CC1)[C@H]1CCCSC1 ZINC000094021709 184750597 /nfs/dbraw/zinc/75/05/97/184750597.db2.gz VEAJBOVLAVMWMW-AWEZNQCLSA-N 2 1 254.443 2.346 10 0 CEAEMP CCc1cc(N2CCC[C@@H]([C@@H](C)[NH2+]C)C2)nc(C)[nH+]1 ZINC000088759719 135057028 /nfs/dbraw/zinc/05/70/28/135057028.db2.gz LMGNDDGZGDWCQM-DGCLKSJQSA-N 2 1 262.401 2.172 10 0 CEAEMP C[C@@]1(C[NH+]2CCC(c3nccs3)CC2)CC[NH2+]C1 ZINC000262106164 394613565 /nfs/dbraw/zinc/61/35/65/394613565.db2.gz VYTVYQQMYXCKOI-CQSZACIVSA-N 2 1 265.426 2.322 10 0 CEAEMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000262590667 394620374 /nfs/dbraw/zinc/62/03/74/394620374.db2.gz UTLACDMGIJSFLR-VYDXJSESSA-N 2 1 289.423 2.066 10 0 CEAEMP CC(=[NH2+])N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000307731158 400340169 /nfs/dbraw/zinc/34/01/69/400340169.db2.gz MHPWVHQAWVACKK-BZUAXINKSA-N 2 1 257.381 2.484 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000189436130 153093049 /nfs/dbraw/zinc/09/30/49/153093049.db2.gz AFBRTVHQIPEMQM-CQSZACIVSA-N 2 1 274.343 2.390 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)nc1 ZINC000189436130 153093054 /nfs/dbraw/zinc/09/30/54/153093054.db2.gz AFBRTVHQIPEMQM-CQSZACIVSA-N 2 1 274.343 2.390 10 0 CEAEMP [NH3+]C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000020521643 171235036 /nfs/dbraw/zinc/23/50/36/171235036.db2.gz YZUIUMRARJTWSP-UHFFFAOYSA-N 2 1 273.424 2.074 10 0 CEAEMP CCCC[C@H]([NH3+])c1nc(CC[NH+](CC)CC)no1 ZINC000035411346 172182796 /nfs/dbraw/zinc/18/27/96/172182796.db2.gz PRJITDRYVYBADK-NSHDSACASA-N 2 1 254.378 2.144 10 0 CEAEMP C[N@@H+](CCOc1ccc(CC[NH3+])cc1)[C@@H]1CCSC1 ZINC000035725172 172379760 /nfs/dbraw/zinc/37/97/60/172379760.db2.gz HFFTXZSVNSTNOK-CQSZACIVSA-N 2 1 280.437 2.004 10 0 CEAEMP CC[NH+]1CCC([NH2+][C@@H](C)C2CC[NH+](CC)CC2)CC1 ZINC000038098057 174112812 /nfs/dbraw/zinc/11/28/12/174112812.db2.gz UZFIBLABQQBBHY-AWEZNQCLSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[C@H]([NH3+])CCNc1cc[nH+]cc1Br ZINC000663275411 414901177 /nfs/dbraw/zinc/90/11/77/414901177.db2.gz IAPWSGNVXBPNFY-SNVBAGLBSA-N 2 1 272.190 2.051 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC[N@@H+](C)CC1 ZINC000043363934 175024994 /nfs/dbraw/zinc/02/49/94/175024994.db2.gz FKODOIFEQZKTHS-DZGCQCFKSA-N 2 1 265.401 2.004 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889722 175117370 /nfs/dbraw/zinc/11/73/70/175117370.db2.gz IUCBVVOUXGMGMB-SOUVJXGZSA-N 2 1 284.444 2.238 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C[C@@H](C)CC)OCCO2 ZINC000043889722 175117371 /nfs/dbraw/zinc/11/73/71/175117371.db2.gz IUCBVVOUXGMGMB-SOUVJXGZSA-N 2 1 284.444 2.238 10 0 CEAEMP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccc(C)cc1 ZINC000045043133 175294763 /nfs/dbraw/zinc/29/47/63/175294763.db2.gz VXVJKESOEKJMKT-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccc(C)cc1 ZINC000045043133 175294765 /nfs/dbraw/zinc/29/47/65/175294765.db2.gz VXVJKESOEKJMKT-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccccc1C ZINC000045043389 175294896 /nfs/dbraw/zinc/29/48/96/175294896.db2.gz AJDQZWBGYNZOHP-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1C ZINC000045043389 175294897 /nfs/dbraw/zinc/29/48/97/175294897.db2.gz AJDQZWBGYNZOHP-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000045171444 175321310 /nfs/dbraw/zinc/32/13/10/175321310.db2.gz RQRRCUOPBLFXED-BXUZGUMPSA-N 2 1 276.428 2.172 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000045173277 175322305 /nfs/dbraw/zinc/32/23/05/175322305.db2.gz VEKYBXXUVDSFMS-RLAWYHOSSA-N 2 1 262.401 2.052 10 0 CEAEMP CCCC[NH+](CCCC)CC[C@](C)([NH2+]CC)C(N)=O ZINC000045263337 175337985 /nfs/dbraw/zinc/33/79/85/175337985.db2.gz YNYIQGLBRQSWSB-HNNXBMFYSA-N 2 1 271.449 2.132 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367416 175363030 /nfs/dbraw/zinc/36/30/30/175363030.db2.gz RKICLWKYRYCKKU-HOCLYGCPSA-N 2 1 283.460 2.275 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](CC)CC(C)C ZINC000045381789 175370458 /nfs/dbraw/zinc/37/04/58/175370458.db2.gz DHFMRZSNOBMVME-CQSZACIVSA-N 2 1 258.406 2.025 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382709 175371103 /nfs/dbraw/zinc/37/11/03/175371103.db2.gz MJGKNXVJSYPJMK-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)CC)C(=O)OCC ZINC000045382709 175371104 /nfs/dbraw/zinc/37/11/04/175371104.db2.gz MJGKNXVJSYPJMK-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383661 175371401 /nfs/dbraw/zinc/37/14/01/175371401.db2.gz CEAPJWCQJTYPRD-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383661 175371402 /nfs/dbraw/zinc/37/14/02/175371402.db2.gz CEAPJWCQJTYPRD-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(CC)[N@@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045391506 175374358 /nfs/dbraw/zinc/37/43/58/175374358.db2.gz LPUNCTINQIHMAK-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC(CC)[N@@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045391502 175374994 /nfs/dbraw/zinc/37/49/94/175374994.db2.gz LPUNCTINQIHMAK-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000045392828 175375712 /nfs/dbraw/zinc/37/57/12/175375712.db2.gz HVDRUEBOYUOLFL-WFASDCNBSA-N 2 1 270.417 2.168 10 0 CEAEMP C[NH2+][C@@H](Cc1cccc(F)c1)Cc1cc[nH+]c(N)c1 ZINC000070402955 175911944 /nfs/dbraw/zinc/91/19/44/175911944.db2.gz JPTYFSKLSWOGKK-AWEZNQCLSA-N 2 1 259.328 2.176 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCCCC[C@@H]2C)O1 ZINC000070413122 175915059 /nfs/dbraw/zinc/91/50/59/175915059.db2.gz OTSBBFCOUVFFFJ-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H](c1ccccc1)[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000070543881 175978894 /nfs/dbraw/zinc/97/88/94/175978894.db2.gz CZRZOEIRXAJNKO-HNNXBMFYSA-N 2 1 261.413 2.104 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000070941107 176014879 /nfs/dbraw/zinc/01/48/79/176014879.db2.gz BBFJUPCBRAPRSA-CVEARBPZSA-N 2 1 290.407 2.147 10 0 CEAEMP CC(C)[N@@H+](CCC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071044743 176029570 /nfs/dbraw/zinc/02/95/70/176029570.db2.gz LVZBKLAWOZSQMR-MRXNPFEDSA-N 2 1 262.397 2.360 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000071124577 176035192 /nfs/dbraw/zinc/03/51/92/176035192.db2.gz QIHSMIDZQGRVHL-OAGGEKHMSA-N 2 1 267.461 2.310 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146119 176042826 /nfs/dbraw/zinc/04/28/26/176042826.db2.gz ZEHQLJFEPDIIOC-CQSZACIVSA-N 2 1 289.423 2.193 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188915 176063644 /nfs/dbraw/zinc/06/36/44/176063644.db2.gz VEKYICADVUSPIG-WCVJEAGWSA-N 2 1 267.461 2.037 10 0 CEAEMP CCC[C@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188675 176063952 /nfs/dbraw/zinc/06/39/52/176063952.db2.gz HUGUSAZEXXQHID-XUWVNRHRSA-N 2 1 267.461 2.166 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190662 176068731 /nfs/dbraw/zinc/06/87/31/176068731.db2.gz YIUMTOGMBGPMHH-OLMNPRSZSA-N 2 1 288.435 2.308 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190662 176068732 /nfs/dbraw/zinc/06/87/32/176068732.db2.gz YIUMTOGMBGPMHH-OLMNPRSZSA-N 2 1 288.435 2.308 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190662 176068733 /nfs/dbraw/zinc/06/87/33/176068733.db2.gz YIUMTOGMBGPMHH-OLMNPRSZSA-N 2 1 288.435 2.308 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191318 176069597 /nfs/dbraw/zinc/06/95/97/176069597.db2.gz INVKYCJNFPLHOU-YLFCFFPRSA-N 2 1 281.488 2.284 10 0 CEAEMP CCC[NH2+]Cc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000071192037 176072822 /nfs/dbraw/zinc/07/28/22/176072822.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1ncsc1C[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000071213149 176085064 /nfs/dbraw/zinc/08/50/64/176085064.db2.gz ISLMXFZTFTVLJV-LLVKDONJSA-N 2 1 251.399 2.025 10 0 CEAEMP Cc1ncsc1C[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000071213149 176085065 /nfs/dbraw/zinc/08/50/65/176085065.db2.gz ISLMXFZTFTVLJV-LLVKDONJSA-N 2 1 251.399 2.025 10 0 CEAEMP C[NH+](C)C1CCN(CCCCCC[NH2+]C2CC2)CC1 ZINC000071287960 176109721 /nfs/dbraw/zinc/10/97/21/176109721.db2.gz UQFNPUSJQZOKJD-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CN(C)C1CC[NH+](CCCCCC[NH2+]C2CC2)CC1 ZINC000071287960 176109722 /nfs/dbraw/zinc/10/97/22/176109722.db2.gz UQFNPUSJQZOKJD-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000071289822 176110512 /nfs/dbraw/zinc/11/05/12/176110512.db2.gz OMZOVAHNHKXABQ-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000071293153 176110969 /nfs/dbraw/zinc/11/09/69/176110969.db2.gz WXESWQHBPAWJRQ-CQSZACIVSA-N 2 1 270.417 2.184 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000071293153 176110970 /nfs/dbraw/zinc/11/09/70/176110970.db2.gz WXESWQHBPAWJRQ-CQSZACIVSA-N 2 1 270.417 2.184 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC(C)(C)[NH2+]C[C@@H]1C(C)(C)C ZINC000071342878 176130280 /nfs/dbraw/zinc/13/02/80/176130280.db2.gz QDRFFMGCURGJTJ-CQSZACIVSA-N 2 1 278.444 2.290 10 0 CEAEMP CN1CCC[N@@H+](CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401642 176154077 /nfs/dbraw/zinc/15/40/77/176154077.db2.gz WRSPOBAKAMKHSV-INIZCTEOSA-N 2 1 261.413 2.104 10 0 CEAEMP C[N@@H+]1CCCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401642 176154078 /nfs/dbraw/zinc/15/40/78/176154078.db2.gz WRSPOBAKAMKHSV-INIZCTEOSA-N 2 1 261.413 2.104 10 0 CEAEMP C[N@H+]1CCCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401642 176154079 /nfs/dbraw/zinc/15/40/79/176154079.db2.gz WRSPOBAKAMKHSV-INIZCTEOSA-N 2 1 261.413 2.104 10 0 CEAEMP c1ccc(COCCC2(C[NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000423045275 281007369 /nfs/dbraw/zinc/00/73/69/281007369.db2.gz BWNXNGTZFUPROQ-MRXNPFEDSA-N 2 1 274.408 2.325 10 0 CEAEMP C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000577204741 314351919 /nfs/dbraw/zinc/35/19/19/314351919.db2.gz DDAUDCZHAZPHQC-XIRDDKMYSA-N 2 1 275.440 2.267 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543416 519745689 /nfs/dbraw/zinc/74/56/89/519745689.db2.gz WMHFTQZZHYKIIB-KBPBESRZSA-N 2 1 256.434 2.367 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543416 519745692 /nfs/dbraw/zinc/74/56/92/519745692.db2.gz WMHFTQZZHYKIIB-KBPBESRZSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)on1 ZINC000052510029 519991831 /nfs/dbraw/zinc/99/18/31/519991831.db2.gz IBQSONXBNDMJCK-RYUDHWBXSA-N 2 1 251.374 2.405 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636760 520109451 /nfs/dbraw/zinc/10/94/51/520109451.db2.gz CZKHFRUFZMFISR-SQWLQELKSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636760 520109457 /nfs/dbraw/zinc/10/94/57/520109457.db2.gz CZKHFRUFZMFISR-SQWLQELKSA-N 2 1 285.476 2.375 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635787 520144671 /nfs/dbraw/zinc/14/46/71/520144671.db2.gz RQTQPYZGSQNCMA-AYDFFVQHSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635787 520144676 /nfs/dbraw/zinc/14/46/76/520144676.db2.gz RQTQPYZGSQNCMA-AYDFFVQHSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](CCO)C1CCCCC1 ZINC000053875331 520213367 /nfs/dbraw/zinc/21/33/67/520213367.db2.gz GQXJCSRKDVSONV-ZBFHGGJFSA-N 2 1 268.445 2.392 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000069446800 521300174 /nfs/dbraw/zinc/30/01/74/521300174.db2.gz LYEXCJLDFBNMGT-HNNXBMFYSA-N 2 1 271.449 2.129 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545325 522139596 /nfs/dbraw/zinc/13/95/96/522139596.db2.gz HHRIRPCOCWPQHL-LBPRGKRZSA-N 2 1 266.385 2.246 10 0 CEAEMP CC(C)(C)[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCC1 ZINC000061711821 518752711 /nfs/dbraw/zinc/75/27/11/518752711.db2.gz NXWBGGGCJBECDW-ZDUSSCGKSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763316 518760227 /nfs/dbraw/zinc/76/02/27/518760227.db2.gz DUPCWDOCPHMLLL-NVXWUHKLSA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)CCc2ccccn2)O1 ZINC000052423976 519725594 /nfs/dbraw/zinc/72/55/94/519725594.db2.gz AZTUILDTVROBRO-IAGOWNOFSA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CCSC2)O1 ZINC000052453608 519745171 /nfs/dbraw/zinc/74/51/71/519745171.db2.gz RHEVCHAKYNLSPB-QLFBSQMISA-N 2 1 286.485 2.217 10 0 CEAEMP CC(C)[C@H](C[NH2+]C1CC1)OCC[C@H]1CCC[N@H+]1C ZINC000052672828 519815759 /nfs/dbraw/zinc/81/57/59/519815759.db2.gz VDAMRJJPJXCHET-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC[N@@H+](C)C1 ZINC000054602143 519907651 /nfs/dbraw/zinc/90/76/51/519907651.db2.gz QMWVRGBEACCSKP-MGNMYUMUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCCO1 ZINC000054628717 519911239 /nfs/dbraw/zinc/91/12/39/519911239.db2.gz RQYADLANLYPBMU-DKUMPPAJSA-N 2 1 252.402 2.160 10 0 CEAEMP CC[NH2+]CC1(C[N@H+](C)Cc2ccoc2C)CCOCC1 ZINC000052197873 519911975 /nfs/dbraw/zinc/91/19/75/519911975.db2.gz CFUVMMOSCNJEQY-UHFFFAOYSA-N 2 1 280.412 2.426 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccoc2C)CCOCC1 ZINC000052197873 519911979 /nfs/dbraw/zinc/91/19/79/519911979.db2.gz CFUVMMOSCNJEQY-UHFFFAOYSA-N 2 1 280.412 2.426 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CCc2ccncc2)O1 ZINC000052483150 519923729 /nfs/dbraw/zinc/92/37/29/519923729.db2.gz ZIMLLTGVLDHPGN-IRXDYDNUSA-N 2 1 291.439 2.103 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382659 519950684 /nfs/dbraw/zinc/95/06/84/519950684.db2.gz IMYNGRKMIRCTNB-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382659 519950694 /nfs/dbraw/zinc/95/06/94/519950694.db2.gz IMYNGRKMIRCTNB-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)C2CCCC2)O1 ZINC000052475582 519951984 /nfs/dbraw/zinc/95/19/84/519951984.db2.gz BQUCDHYAEYPMAF-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)Cc2ccncc2)O1 ZINC000052515068 519954254 /nfs/dbraw/zinc/95/42/54/519954254.db2.gz ZZASOWSJBWCSAO-JKSUJKDBSA-N 2 1 277.412 2.061 10 0 CEAEMP CCC[NH2+]Cc1sc(N2CCC[N@@H+](C)CC2)nc1CC ZINC000054968959 519974736 /nfs/dbraw/zinc/97/47/36/519974736.db2.gz NTFNCCGYHFXNRI-UHFFFAOYSA-N 2 1 296.484 2.347 10 0 CEAEMP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069288288 519986515 /nfs/dbraw/zinc/98/65/15/519986515.db2.gz IREFTHCVDMTSSN-UONOGXRCSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654539 520006908 /nfs/dbraw/zinc/00/69/08/520006908.db2.gz NYNDJLOFJFTHBL-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654539 520006915 /nfs/dbraw/zinc/00/69/15/520006915.db2.gz NYNDJLOFJFTHBL-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CCC[NH2+][C@H](C)[C@@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000068689919 520064457 /nfs/dbraw/zinc/06/44/57/520064457.db2.gz SDHXLFSEJUBDND-KGLIPLIRSA-N 2 1 291.443 2.290 10 0 CEAEMP CCCCC[N@@H+](CCn1cc(C[NH2+]C2CC2)nn1)C(C)C ZINC000052544806 520175002 /nfs/dbraw/zinc/17/50/02/520175002.db2.gz UWGXYPBAANAVEM-UHFFFAOYSA-N 2 1 293.459 2.431 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516481 520226647 /nfs/dbraw/zinc/22/66/47/520226647.db2.gz QBSFDDKUXGAPGP-MRXNPFEDSA-N 2 1 283.460 2.132 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](CC)Cc1ccccc1C ZINC000062739591 520309560 /nfs/dbraw/zinc/30/95/60/520309560.db2.gz DWGNQDHLFGMYGO-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP CC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)CC1CC1 ZINC000069239453 521004910 /nfs/dbraw/zinc/00/49/10/521004910.db2.gz HQWKKPGVAVQVTK-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)CC1CC1 ZINC000069239453 521004916 /nfs/dbraw/zinc/00/49/16/521004916.db2.gz HQWKKPGVAVQVTK-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CCC[C@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(CC)C[NH2+]1 ZINC000068701929 521221215 /nfs/dbraw/zinc/22/12/15/521221215.db2.gz PMKJKVXASFLTDU-HOTGVXAUSA-N 2 1 278.444 2.434 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[NH+]1CCC(CC)CC1 ZINC000045428401 521326365 /nfs/dbraw/zinc/32/63/65/521326365.db2.gz HMAGKYQFHCIWHC-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP CC[NH+]1CCN(CCCCC[NH2+]CC(C)C)CC1 ZINC000052422461 521679116 /nfs/dbraw/zinc/67/91/16/521679116.db2.gz AVRHRBUQYPLTKR-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1c(C)nn(C)c1C ZINC000070283136 522056800 /nfs/dbraw/zinc/05/68/00/522056800.db2.gz XICXKKOISRTTBK-ZFWWWQNUSA-N 2 1 264.417 2.028 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346220 522058548 /nfs/dbraw/zinc/05/85/48/522058548.db2.gz YILZUWGIVYZMAW-GJZGRUSLSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425380 522059496 /nfs/dbraw/zinc/05/94/96/522059496.db2.gz GXITTYJDEJBNGY-GJZGRUSLSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]Cc1occc1C[N@@H+](C)CCc1ccncc1 ZINC000052483089 522159637 /nfs/dbraw/zinc/15/96/37/522159637.db2.gz DZWNIOCXFJSJCH-UHFFFAOYSA-N 2 1 259.353 2.069 10 0 CEAEMP COC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560173 522594032 /nfs/dbraw/zinc/59/40/32/522594032.db2.gz BDHDKCREBPYYNF-AJNGGQMLSA-N 2 1 256.434 2.353 10 0 CEAEMP CC[C@H]1CCCC[N@H+]1CC1(C[NH2+]C)CCOCC1 ZINC000052181312 523020931 /nfs/dbraw/zinc/02/09/31/523020931.db2.gz RXJLNZOXCMOZHB-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1CCCC(C)(C)C1 ZINC000069517096 523817382 /nfs/dbraw/zinc/81/73/82/523817382.db2.gz GPYPIQFZEQSFFP-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@H+]1CCCC(C)(C)C1 ZINC000069517096 523817386 /nfs/dbraw/zinc/81/73/86/523817386.db2.gz GPYPIQFZEQSFFP-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP CC[C@H](C)C[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052454187 523870236 /nfs/dbraw/zinc/87/02/36/523870236.db2.gz ZNCMSTKYJJGJIM-ZDUSSCGKSA-N 2 1 281.448 2.144 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCCC[NH+]1Cc2ccccc2C1 ZINC000050912337 524001721 /nfs/dbraw/zinc/00/17/21/524001721.db2.gz JZKZQWYDAGPBLG-MRXNPFEDSA-N 2 1 276.380 2.063 10 0 CEAEMP C[C@H](C[NH+]1CCCCC1)NCC[C@H]1CCCC[N@H+]1C ZINC000052206006 524333135 /nfs/dbraw/zinc/33/31/35/524333135.db2.gz QBWFBTIETZPQRR-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@H]1C[N@H+](Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052382568 524652869 /nfs/dbraw/zinc/65/28/69/524652869.db2.gz RNTIQMRIHKVWFS-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052382568 524652880 /nfs/dbraw/zinc/65/28/80/524652880.db2.gz RNTIQMRIHKVWFS-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)C1CCN(C)CC1 ZINC000052419802 524733539 /nfs/dbraw/zinc/73/35/39/524733539.db2.gz BACQQDZKWOJJQH-ZDUSSCGKSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)C1CCN(C)CC1 ZINC000052419802 524733548 /nfs/dbraw/zinc/73/35/48/524733548.db2.gz BACQQDZKWOJJQH-ZDUSSCGKSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@@H]1c2ccsc2CC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052182357 525736456 /nfs/dbraw/zinc/73/64/56/525736456.db2.gz ZOWOXOQLRBTCTF-GFCCVEGCSA-N 2 1 280.437 2.423 10 0 CEAEMP Cc1nc(C[N@H+](C)CCC[C@@H]2CCC[NH2+]2)cs1 ZINC000052764678 526839136 /nfs/dbraw/zinc/83/91/36/526839136.db2.gz NCOPTURRRIHIEL-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP Cc1nc(C[N@@H+](C)CCC[C@@H]2CCC[NH2+]2)cs1 ZINC000052764678 526839139 /nfs/dbraw/zinc/83/91/39/526839139.db2.gz NCOPTURRRIHIEL-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP NC(=[NH2+])C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000055023434 526817965 /nfs/dbraw/zinc/81/79/65/526817965.db2.gz FMAZOJZVQXMZJE-HUUCEWRRSA-N 2 1 275.396 2.291 10 0 CEAEMP Cc1[nH+]ccn1CCOc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745140 527433440 /nfs/dbraw/zinc/43/34/40/527433440.db2.gz MAICJIWALKFMPU-SNVBAGLBSA-N 2 1 263.316 2.429 10 0 CEAEMP Cc1[nH+]cn(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593727 527461442 /nfs/dbraw/zinc/46/14/42/527461442.db2.gz YXZWUPSHNJGJOU-KBPBESRZSA-N 2 1 265.401 2.436 10 0 CEAEMP COCC(C)(C)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261928314 623662177 /nfs/dbraw/zinc/66/21/77/623662177.db2.gz LEHJSYWRGMSBGI-CVEARBPZSA-N 2 1 276.424 2.333 10 0 CEAEMP C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919593 624695354 /nfs/dbraw/zinc/69/53/54/624695354.db2.gz XPPTWZJWKDCAFZ-SOUVJXGZSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009629 628248089 /nfs/dbraw/zinc/24/80/89/628248089.db2.gz YIJSCALGRVOVFU-HZSPNIEDSA-N 2 1 299.459 2.314 10 0 CEAEMP Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)nc(C)[nH+]1 ZINC000261877635 629293955 /nfs/dbraw/zinc/29/39/55/629293955.db2.gz ZWHWFRJITRNMJP-HNNXBMFYSA-N 2 1 268.364 2.392 10 0 CEAEMP CC1CCC(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000261944106 629364752 /nfs/dbraw/zinc/36/47/52/629364752.db2.gz FAWSOFOOWUQWET-UYSNPLJNSA-N 2 1 295.471 2.132 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818489 185115556 /nfs/dbraw/zinc/11/55/56/185115556.db2.gz PADNYABCJTVRQM-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818489 185115559 /nfs/dbraw/zinc/11/55/59/185115559.db2.gz PADNYABCJTVRQM-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000123998680 539179804 /nfs/dbraw/zinc/17/98/04/539179804.db2.gz ZSBQVLORFPSJNK-KRWDZBQOSA-N 2 1 287.451 2.248 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262336054 344654414 /nfs/dbraw/zinc/65/44/14/344654414.db2.gz ZEBGIMGNJSLKAE-PMPSAXMXSA-N 2 1 295.471 2.275 10 0 CEAEMP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328622631 344755633 /nfs/dbraw/zinc/75/56/33/344755633.db2.gz BKJDGFAUVSXEIU-HIFRSBDPSA-N 2 1 277.412 2.240 10 0 CEAEMP C[C@H]([NH3+])c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1F ZINC000584645812 344972643 /nfs/dbraw/zinc/97/26/43/344972643.db2.gz HMTVSXICYATCTC-NSHDSACASA-N 3 1 265.376 2.159 10 0 CEAEMP C[C@@](O)(C[NH3+])CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300963 179010510 /nfs/dbraw/zinc/01/05/10/179010510.db2.gz ZQRVLWPKSDNEFT-CABCVRRESA-N 2 1 254.418 2.131 10 0 CEAEMP CC1CCC([N@@H+](C)CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085301499 179010610 /nfs/dbraw/zinc/01/06/10/179010610.db2.gz AOEUQNIPXAKBAT-YMAMQOFZSA-N 2 1 256.434 2.377 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369449 179039034 /nfs/dbraw/zinc/03/90/34/179039034.db2.gz AZQYAJYRMVOQKT-HOTGVXAUSA-N 2 1 295.471 2.083 10 0 CEAEMP COCCC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403710 179053191 /nfs/dbraw/zinc/05/31/91/179053191.db2.gz WCQJHBSOHRPHGF-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@](C)(C2CC2)[NH2+]CC1(C)C ZINC000085514529 179086355 /nfs/dbraw/zinc/08/63/55/179086355.db2.gz QOUXLSYCZAUTQJ-INIZCTEOSA-N 2 1 276.428 2.044 10 0 CEAEMP C[N@H+]1CCC[C@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572761 179097736 /nfs/dbraw/zinc/09/77/36/179097736.db2.gz WSSABIXEPCJWHK-ZDUSSCGKSA-N 2 1 290.455 2.168 10 0 CEAEMP CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085528384 179090845 /nfs/dbraw/zinc/09/08/45/179090845.db2.gz LLNIPHUWXVEOOW-HZPDHXFCSA-N 2 1 276.428 2.044 10 0 CEAEMP CCC1(CC)C[N@@H+](CCn2cccn2)[C@@H](C)CC[NH2+]1 ZINC000085627958 179106983 /nfs/dbraw/zinc/10/69/83/179106983.db2.gz NFDILIRLWGLVHR-AWEZNQCLSA-N 2 1 264.417 2.126 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613133 179102456 /nfs/dbraw/zinc/10/24/56/179102456.db2.gz OTZUDEVHLRTAPW-LSDHHAIUSA-N 2 1 252.402 2.020 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085614651 179103776 /nfs/dbraw/zinc/10/37/76/179103776.db2.gz ILWRICKBJDFVLJ-LLVKDONJSA-N 2 1 268.323 2.029 10 0 CEAEMP CCC1(CC)C[N@@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085617342 179103968 /nfs/dbraw/zinc/10/39/68/179103968.db2.gz OFXSQKOMPPGATL-UHFFFAOYSA-N 2 1 264.417 2.127 10 0 CEAEMP CC[C@H](C)[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086172108 179244107 /nfs/dbraw/zinc/24/41/07/179244107.db2.gz MXMXENWEPUIIRR-JONQDZQNSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086173704 179245035 /nfs/dbraw/zinc/24/50/35/179245035.db2.gz QQPPEAIKAZMYBL-OWCLPIDISA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086174186 179245496 /nfs/dbraw/zinc/24/54/96/179245496.db2.gz YNQVXCNIHOCXBT-XHSDSOJGSA-N 2 1 267.461 2.035 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223091 179250326 /nfs/dbraw/zinc/25/03/26/179250326.db2.gz LNBDZICTBDEZMC-OIISXLGYSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@@H]1CN([C@@H]2CCC[N@@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086225422 179253517 /nfs/dbraw/zinc/25/35/17/179253517.db2.gz FDGQBIACSLYIGE-OAGGEKHMSA-N 2 1 267.461 2.179 10 0 CEAEMP CCC[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224016 179253756 /nfs/dbraw/zinc/25/37/56/179253756.db2.gz STHHSFNGKDIMEZ-OAGGEKHMSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259585 179258367 /nfs/dbraw/zinc/25/83/67/179258367.db2.gz ZZWYFTQCNFYYNX-ZTFGCOKTSA-N 2 1 285.435 2.258 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259666 179259332 /nfs/dbraw/zinc/25/93/32/179259332.db2.gz ZSWSZPBMDXOXSA-YQQAZPJKSA-N 2 1 279.472 2.322 10 0 CEAEMP C[C@H]1CN[C@@H](c2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086261034 179259758 /nfs/dbraw/zinc/25/97/58/179259758.db2.gz HVXLCQWBUPARNM-DOTOQJQBSA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1CCCC[NH+](C)C ZINC000086261034 179259760 /nfs/dbraw/zinc/25/97/60/179259760.db2.gz HVXLCQWBUPARNM-DOTOQJQBSA-N 2 1 275.440 2.363 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086261202 179260146 /nfs/dbraw/zinc/26/01/46/179260146.db2.gz IWXMZPUIWJBWCI-HOCLYGCPSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[N@H+](C)CCCC[NH+]1C[C@@H](C2CC2)NC[C@@H]1C ZINC000086261202 179260147 /nfs/dbraw/zinc/26/01/47/179260147.db2.gz IWXMZPUIWJBWCI-HOCLYGCPSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1C[C@@H](C2CC2)NC[C@@H]1C ZINC000086261202 179260151 /nfs/dbraw/zinc/26/01/51/179260151.db2.gz IWXMZPUIWJBWCI-HOCLYGCPSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C ZINC000086261202 179260153 /nfs/dbraw/zinc/26/01/53/179260153.db2.gz IWXMZPUIWJBWCI-HOCLYGCPSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1C[C@@H](C2CC2)NC[C@@H]1C ZINC000086261202 179260156 /nfs/dbraw/zinc/26/01/56/179260156.db2.gz IWXMZPUIWJBWCI-HOCLYGCPSA-N 2 1 267.461 2.179 10 0 CEAEMP C[N@H+]1CC[C@H](CN2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288717 179264998 /nfs/dbraw/zinc/26/49/98/179264998.db2.gz DCRODKPRYUBNEW-RDJZCZTQSA-N 2 1 279.472 2.182 10 0 CEAEMP CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258983 179257190 /nfs/dbraw/zinc/25/71/90/179257190.db2.gz OCCCFKPOWXVNRM-DLBZAZTESA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CC1CC[NH+](C)CC1 ZINC000086258983 179257192 /nfs/dbraw/zinc/25/71/92/179257192.db2.gz OCCCFKPOWXVNRM-DLBZAZTESA-N 2 1 279.472 2.181 10 0 CEAEMP c1ccc(C[C@H]2C[N@@H+](CC[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000086291368 179265537 /nfs/dbraw/zinc/26/55/37/179265537.db2.gz WCGFXHDHRACFJP-ROUUACIJSA-N 2 1 288.435 2.462 10 0 CEAEMP C[NH+](C)CCCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086293256 179266436 /nfs/dbraw/zinc/26/64/36/179266436.db2.gz LTEJUAMXSZPOCN-SFHVURJKSA-N 3 1 289.467 2.235 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086293256 179266438 /nfs/dbraw/zinc/26/64/38/179266438.db2.gz LTEJUAMXSZPOCN-SFHVURJKSA-N 3 1 289.467 2.235 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086291646 179266836 /nfs/dbraw/zinc/26/68/36/179266836.db2.gz RBZCDXYNYRMDLJ-INIZCTEOSA-N 2 1 279.472 2.469 10 0 CEAEMP C[C@]1(C2CC2)C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296849 179267477 /nfs/dbraw/zinc/26/74/77/179267477.db2.gz AGKCPJITSWIORM-CQSZACIVSA-N 2 1 265.426 2.150 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296849 179267478 /nfs/dbraw/zinc/26/74/78/179267478.db2.gz AGKCPJITSWIORM-CQSZACIVSA-N 2 1 265.426 2.150 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293508 179267831 /nfs/dbraw/zinc/26/78/31/179267831.db2.gz NLBYXSPJTXIWOZ-TUVASFSCSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)CS2)C1 ZINC000086633216 179315081 /nfs/dbraw/zinc/31/50/81/179315081.db2.gz JMIJXMCWHDVWOE-NEPJUHHUSA-N 2 1 255.431 2.045 10 0 CEAEMP Cc1csc(CC[NH2+][C@@H]2CCC[N@H+](C)CC2)n1 ZINC000086819109 179348001 /nfs/dbraw/zinc/34/80/01/179348001.db2.gz ATZZUNZEMJYPJU-GFCCVEGCSA-N 2 1 253.415 2.068 10 0 CEAEMP Cc1cccc(N(C)[C@@]2(C[NH3+])CCC[N@@H+](C)CC2)c1 ZINC000086819525 179348897 /nfs/dbraw/zinc/34/88/97/179348897.db2.gz CQKUQPPCLMUFQB-INIZCTEOSA-N 2 1 261.413 2.244 10 0 CEAEMP CC(C)[C@H](CN[C@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817428 179344736 /nfs/dbraw/zinc/34/47/36/179344736.db2.gz ZFFULUFZEJUXAG-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CCCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847901 179356478 /nfs/dbraw/zinc/35/64/78/179356478.db2.gz LEJSSNBUHRYVSG-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C)CC1 ZINC000086847376 179356938 /nfs/dbraw/zinc/35/69/38/179356938.db2.gz HQOGJTHPXVTGKG-GJZGRUSLSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2scnc2C)CC1 ZINC000086848809 179357244 /nfs/dbraw/zinc/35/72/44/179357244.db2.gz IHZONIPQRZZCCB-HNNXBMFYSA-N 2 1 296.484 2.087 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837638 179351196 /nfs/dbraw/zinc/35/11/96/179351196.db2.gz IPKIAXMRVNLWIY-MRXNPFEDSA-N 2 1 289.423 2.138 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837638 179351197 /nfs/dbraw/zinc/35/11/97/179351197.db2.gz IPKIAXMRVNLWIY-MRXNPFEDSA-N 2 1 289.423 2.138 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842804 179354077 /nfs/dbraw/zinc/35/40/77/179354077.db2.gz NDOMMMGITFXIQI-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842804 179354079 /nfs/dbraw/zinc/35/40/79/179354079.db2.gz NDOMMMGITFXIQI-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842804 179354081 /nfs/dbraw/zinc/35/40/81/179354081.db2.gz NDOMMMGITFXIQI-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CC)C(C)C)CC1 ZINC000086846716 179355078 /nfs/dbraw/zinc/35/50/78/179355078.db2.gz ZDAJXCDHIQRGCY-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846787 179355291 /nfs/dbraw/zinc/35/52/91/179355291.db2.gz CDEUVEFOCKBGEY-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851004 179359772 /nfs/dbraw/zinc/35/97/72/179359772.db2.gz FAQZWSZGWZLQAY-SJORKVTESA-N 3 1 279.472 2.325 10 0 CEAEMP CCN1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851004 179359773 /nfs/dbraw/zinc/35/97/73/179359773.db2.gz FAQZWSZGWZLQAY-SJORKVTESA-N 2 1 279.472 2.325 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875092 179364755 /nfs/dbraw/zinc/36/47/55/179364755.db2.gz YQVZFVSMBUDDRV-HNNXBMFYSA-N 2 1 266.360 2.156 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875092 179364757 /nfs/dbraw/zinc/36/47/57/179364757.db2.gz YQVZFVSMBUDDRV-HNNXBMFYSA-N 2 1 266.360 2.156 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC000086876854 179365345 /nfs/dbraw/zinc/36/53/45/179365345.db2.gz RYOGFEDRUGMTFH-HUUCEWRRSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@H]1CCC[C@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000086891436 179366570 /nfs/dbraw/zinc/36/65/70/179366570.db2.gz LBSVYUQUJUJJHS-HOCLYGCPSA-N 2 1 267.461 2.310 10 0 CEAEMP C[C@@H]1CCC[C@@](O)(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000087064916 179390397 /nfs/dbraw/zinc/39/03/97/179390397.db2.gz MSXWBOSDLYYTNO-PMPSAXMXSA-N 2 1 268.445 2.392 10 0 CEAEMP C[NH+](C)CC(C)(C)CNc1nc[nH+]c2cc(N)ccc21 ZINC000087819702 179492837 /nfs/dbraw/zinc/49/28/37/179492837.db2.gz RDSCZKUHLFGEAI-UHFFFAOYSA-N 2 1 273.384 2.212 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089111713 179706189 /nfs/dbraw/zinc/70/61/89/179706189.db2.gz FLLGSZSJPVTYIN-VXGBXAGGSA-N 2 1 253.777 2.294 10 0 CEAEMP COc1ccc(F)cc1C[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089112397 179706593 /nfs/dbraw/zinc/70/65/93/179706593.db2.gz FTMIIWISFWBDJW-RISCZKNCSA-N 2 1 266.360 2.394 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1C ZINC000090566295 180005767 /nfs/dbraw/zinc/00/57/67/180005767.db2.gz VLNSRHMWYOIWKJ-SJORKVTESA-N 2 1 276.424 2.441 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567044 180006323 /nfs/dbraw/zinc/00/63/23/180006323.db2.gz AINFCZSAOGMXAJ-ZIAGYGMSSA-N 2 1 254.418 2.123 10 0 CEAEMP C[C@]1(C[N@@H+](Cc2cccs2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606829 180011455 /nfs/dbraw/zinc/01/14/55/180011455.db2.gz FHSOEOFTWPQNMH-KBPBESRZSA-N 2 1 266.410 2.076 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897475 180056914 /nfs/dbraw/zinc/05/69/14/180056914.db2.gz RKUPLMGRVSBCJK-YOEHRIQHSA-N 2 1 286.419 2.372 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090896974 180057374 /nfs/dbraw/zinc/05/73/74/180057374.db2.gz MUJGJPLRACBZIS-HNNXBMFYSA-N 2 1 262.397 2.359 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019729 180088201 /nfs/dbraw/zinc/08/82/01/180088201.db2.gz DUTBIGTUQHOLAZ-NWDGAFQWSA-N 2 1 258.369 2.122 10 0 CEAEMP FC(F)(F)[C@@H]1CCC[N@H+](CC[C@@H]2CSCC[NH2+]2)C1 ZINC000091292367 180123766 /nfs/dbraw/zinc/12/37/66/180123766.db2.gz JFCDKTXYPIFVDS-GHMZBOCLSA-N 2 1 282.375 2.356 10 0 CEAEMP FC(F)(F)[C@@H]1CCC[N@@H+](CC[C@@H]2CSCC[NH2+]2)C1 ZINC000091292367 180123768 /nfs/dbraw/zinc/12/37/68/180123768.db2.gz JFCDKTXYPIFVDS-GHMZBOCLSA-N 2 1 282.375 2.356 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091432358 180153861 /nfs/dbraw/zinc/15/38/61/180153861.db2.gz WDWKWLCMCUKAPC-CABCVRRESA-N 2 1 255.450 2.179 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490558 180169587 /nfs/dbraw/zinc/16/95/87/180169587.db2.gz UXSNZQSQGADDKF-KNIAUWFNSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[C@@](C)(C[NH2+]C(C)(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091499468 180173647 /nfs/dbraw/zinc/17/36/47/180173647.db2.gz ZTDXMDKFESRLRU-XUJLQICISA-N 2 1 270.461 2.494 10 0 CEAEMP COc1cc2c(cc1OC)C[N@H+](CC(C)(C)[C@H](C)[NH3+])CC2 ZINC000091402558 180147082 /nfs/dbraw/zinc/14/70/82/180147082.db2.gz SYDYMNMFFNAXFZ-LBPRGKRZSA-N 2 1 292.423 2.435 10 0 CEAEMP COc1cc2c(cc1OC)C[N@@H+](CC(C)(C)[C@H](C)[NH3+])CC2 ZINC000091402558 180147083 /nfs/dbraw/zinc/14/70/83/180147083.db2.gz SYDYMNMFFNAXFZ-LBPRGKRZSA-N 2 1 292.423 2.435 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000091405067 180147524 /nfs/dbraw/zinc/14/75/24/180147524.db2.gz FRFMGCUARKASDX-HUUCEWRRSA-N 2 1 269.477 2.284 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cccnc1N)[C@@](C)(CC)[NH+](C)C ZINC000091571900 180196046 /nfs/dbraw/zinc/19/60/46/180196046.db2.gz SETHQHPQJOAKDT-GOEBONIOSA-N 2 1 278.444 2.305 10 0 CEAEMP CCC[NH2+][C@H](Cc1cnn(C)c1)[C@](C)(CC)[NH+](C)C ZINC000091571831 180196328 /nfs/dbraw/zinc/19/63/28/180196328.db2.gz RYQNXLZBRPELCL-CABCVRRESA-N 2 1 266.433 2.061 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(CC)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535323 180182526 /nfs/dbraw/zinc/18/25/26/180182526.db2.gz OEBNSFGRVAROAU-OAHLLOKOSA-N 2 1 278.444 2.298 10 0 CEAEMP C[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662602 180220175 /nfs/dbraw/zinc/22/01/75/180220175.db2.gz DDIUBLWVRKANAS-OIISXLGYSA-N 2 1 274.408 2.070 10 0 CEAEMP C[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662602 180220178 /nfs/dbraw/zinc/22/01/78/180220178.db2.gz DDIUBLWVRKANAS-OIISXLGYSA-N 2 1 274.408 2.070 10 0 CEAEMP C[NH2+][C@H](C1CCC(C)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721423 180237750 /nfs/dbraw/zinc/23/77/50/180237750.db2.gz VWCGSMLFDGDPGE-KDQUWOQTSA-N 2 1 266.429 2.264 10 0 CEAEMP C[NH2+][C@H](C1CCC(C)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721423 180237751 /nfs/dbraw/zinc/23/77/51/180237751.db2.gz VWCGSMLFDGDPGE-KDQUWOQTSA-N 2 1 266.429 2.264 10 0 CEAEMP CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCC([NH3+])CC1 ZINC000091850871 180272317 /nfs/dbraw/zinc/27/23/17/180272317.db2.gz RCKQFGVZGFNJCQ-UHFFFAOYSA-N 2 1 294.395 2.466 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2scnc2C)CC1 ZINC000091871096 180276829 /nfs/dbraw/zinc/27/68/29/180276829.db2.gz CGBAXDOVQMTOCC-UHFFFAOYSA-N 2 1 253.415 2.414 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CC2(O)CCCC2)CC1 ZINC000091870273 180277429 /nfs/dbraw/zinc/27/74/29/180277429.db2.gz YWJCWVNIXAYJON-UHFFFAOYSA-N 2 1 254.418 2.144 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000091870561 180277451 /nfs/dbraw/zinc/27/74/51/180277451.db2.gz WWJZOSZYMJVDEL-UHFFFAOYSA-N 2 1 275.396 2.088 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc(C)cc2[C@H](C)[NH3+])C1 ZINC000092051342 180312885 /nfs/dbraw/zinc/31/28/85/180312885.db2.gz RLIOIKHTJPMQBB-UONOGXRCSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc(C)cc2[C@H](C)[NH3+])C1 ZINC000092051342 180312888 /nfs/dbraw/zinc/31/28/88/180312888.db2.gz RLIOIKHTJPMQBB-UONOGXRCSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2cc(F)ccc2[C@@H](C)[NH2+]C)C1 ZINC000092051271 180313104 /nfs/dbraw/zinc/31/31/04/180313104.db2.gz IMGGHIWTZPDJMI-TZMCWYRMSA-N 2 1 296.386 2.206 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2cc(F)ccc2[C@@H](C)[NH2+]C)C1 ZINC000092051271 180313105 /nfs/dbraw/zinc/31/31/05/180313105.db2.gz IMGGHIWTZPDJMI-TZMCWYRMSA-N 2 1 296.386 2.206 10 0 CEAEMP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1[C@@H](C)[NH3+] ZINC000092004654 180305691 /nfs/dbraw/zinc/30/56/91/180305691.db2.gz PCAVLXPRCMDGLB-JLLWLGSASA-N 2 1 280.441 2.144 10 0 CEAEMP CC(C)[NH2+][C@](C)(CO)C[C@H](C)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090263 180322171 /nfs/dbraw/zinc/32/21/71/180322171.db2.gz IJUDIZMVXOELDK-XGUBFFRZSA-N 2 1 256.434 2.102 10 0 CEAEMP C[N@@H+](C[C@@H]1COc2ccccc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092304567 180360154 /nfs/dbraw/zinc/36/01/54/180360154.db2.gz GAGXEYVBTVHOKT-UMVBOHGHSA-N 2 1 260.381 2.222 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000092329166 180363872 /nfs/dbraw/zinc/36/38/72/180363872.db2.gz HSUJNHRUUBKXNO-ZWNOBZJWSA-N 2 1 251.374 2.111 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000092329166 180363874 /nfs/dbraw/zinc/36/38/74/180363874.db2.gz HSUJNHRUUBKXNO-ZWNOBZJWSA-N 2 1 251.374 2.111 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])C1 ZINC000109684684 186268906 /nfs/dbraw/zinc/26/89/06/186268906.db2.gz ISUZKRBSERKQTD-QLFBSQMISA-N 2 1 282.428 2.169 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H](C)CC2)CCOCC1 ZINC000110810563 186326572 /nfs/dbraw/zinc/32/65/72/186326572.db2.gz SHDYFGLMUDEZRC-AWEZNQCLSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CC1CCCC1)C(N)=O ZINC000110841254 186328847 /nfs/dbraw/zinc/32/88/47/186328847.db2.gz ALUQOABDIMBHHD-INIZCTEOSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703862 186313924 /nfs/dbraw/zinc/31/39/24/186313924.db2.gz OXGQRBXXRHIUTA-DJIMGWMZSA-N 2 1 275.440 2.409 10 0 CEAEMP Cc1ccccc1[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110705312 186314328 /nfs/dbraw/zinc/31/43/28/186314328.db2.gz MMCBYUBNAVGVIC-HNNXBMFYSA-N 2 1 261.413 2.021 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1cccs1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705137 186314832 /nfs/dbraw/zinc/31/48/32/186314832.db2.gz DIYIAOHSPUBUSE-WCQYABFASA-N 2 1 267.442 2.162 10 0 CEAEMP CC[C@H]1CN(Cc2cc([C@@H](C)[NH3+])ccc2OC)CC[N@H+]1C ZINC000110715896 186315944 /nfs/dbraw/zinc/31/59/44/186315944.db2.gz POBOHOGLWODHEK-CJNGLKHVSA-N 2 1 291.439 2.241 10 0 CEAEMP CCc1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716293 186316048 /nfs/dbraw/zinc/31/60/48/186316048.db2.gz GGCWHQGWYLQAQR-INIZCTEOSA-N 2 1 275.440 2.275 10 0 CEAEMP CCC(C)(C)[NH2+]C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757915 186320036 /nfs/dbraw/zinc/32/00/36/186320036.db2.gz MHKMCSAHSQSDBY-ZDUSSCGKSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[N@H+]1CCN(Cc2c3ccccc3oc2C[NH3+])C[C@@H]1C ZINC000110752384 186320105 /nfs/dbraw/zinc/32/01/05/186320105.db2.gz XBAREPYUCSJWBQ-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+][C@@H](C)c2cccs2)CC[N@H+]1C ZINC000110757092 186320300 /nfs/dbraw/zinc/32/03/00/186320300.db2.gz AYEXOCPFNBOFFY-UONOGXRCSA-N 2 1 281.469 2.425 10 0 CEAEMP CCC[C@H](C)[NH2+]C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757973 186320494 /nfs/dbraw/zinc/32/04/94/186320494.db2.gz VEYBTLFNJSWPOB-UONOGXRCSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000110751194 186320657 /nfs/dbraw/zinc/32/06/57/186320657.db2.gz FKUCSSJZMQLTFZ-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP C[N@H+]1CCN(Cc2cc(C[NH2+]C(C)(C)C)no2)CC1(C)C ZINC000110754920 186320724 /nfs/dbraw/zinc/32/07/24/186320724.db2.gz KMFASNCVLVPWKP-UHFFFAOYSA-N 2 1 294.443 2.089 10 0 CEAEMP CCC(CC)(C[NH2+]C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747354 186321356 /nfs/dbraw/zinc/32/13/56/186321356.db2.gz MOUORCJZTHJROG-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747354 186321358 /nfs/dbraw/zinc/32/13/58/186321358.db2.gz MOUORCJZTHJROG-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747354 186321359 /nfs/dbraw/zinc/32/13/59/186321359.db2.gz MOUORCJZTHJROG-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@H]1C[N@H+]([C@@H](C)CCC[NH2+]CC(C)C)CCN1C ZINC000110753768 186321732 /nfs/dbraw/zinc/32/17/32/186321732.db2.gz ZVHLXTVIMFCOIR-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC000111150209 186361243 /nfs/dbraw/zinc/36/12/43/186361243.db2.gz ILTJHXDYUZOGRW-HNNXBMFYSA-N 3 1 257.466 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)CCCN(C)C ZINC000111150209 186361245 /nfs/dbraw/zinc/36/12/45/186361245.db2.gz ILTJHXDYUZOGRW-HNNXBMFYSA-N 2 1 257.466 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)CCCN(C)C ZINC000111150209 186361247 /nfs/dbraw/zinc/36/12/47/186361247.db2.gz ILTJHXDYUZOGRW-HNNXBMFYSA-N 2 1 257.466 2.284 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000111174875 186364588 /nfs/dbraw/zinc/36/45/88/186364588.db2.gz QLEVJTIAPBYWFE-CQSZACIVSA-N 2 1 262.397 2.264 10 0 CEAEMP CCC[NH2+]CC(C)(C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171904 186364928 /nfs/dbraw/zinc/36/49/28/186364928.db2.gz ZBXWUUAOXJRVST-AWEZNQCLSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[C@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000111179200 186366428 /nfs/dbraw/zinc/36/64/28/186366428.db2.gz BNTLNGDSFCQZEX-GJZGRUSLSA-N 2 1 254.418 2.125 10 0 CEAEMP CO[C@@H]1C[N@H+](CCCOCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364189 351713018 /nfs/dbraw/zinc/71/30/18/351713018.db2.gz DNHGSJWMQYHJQF-DLBZAZTESA-N 2 1 292.423 2.031 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCCOCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364189 351713019 /nfs/dbraw/zinc/71/30/19/351713019.db2.gz DNHGSJWMQYHJQF-DLBZAZTESA-N 2 1 292.423 2.031 10 0 CEAEMP C[C@H](NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000578518510 366506090 /nfs/dbraw/zinc/50/60/90/366506090.db2.gz MRTBWFMFGPDRAO-MJBXVCDLSA-N 2 1 281.469 2.329 10 0 CEAEMP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331445 189107619 /nfs/dbraw/zinc/10/76/19/189107619.db2.gz UJUDRVBBYNQFRJ-CABCVRRESA-N 2 1 293.411 2.388 10 0 CEAEMP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331445 189107620 /nfs/dbraw/zinc/10/76/20/189107620.db2.gz UJUDRVBBYNQFRJ-CABCVRRESA-N 2 1 293.411 2.388 10 0 CEAEMP CC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000103474059 364657912 /nfs/dbraw/zinc/65/79/12/364657912.db2.gz CGAVAABRSIEXGL-AWEZNQCLSA-N 2 1 261.369 2.103 10 0 CEAEMP CC(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000103474059 364657917 /nfs/dbraw/zinc/65/79/17/364657917.db2.gz CGAVAABRSIEXGL-AWEZNQCLSA-N 2 1 261.369 2.103 10 0 CEAEMP CCCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000117880182 365129390 /nfs/dbraw/zinc/12/93/90/365129390.db2.gz LAZHBOUASUAFLF-AWEZNQCLSA-N 2 1 256.434 2.201 10 0 CEAEMP Cn1c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000275452841 193044244 /nfs/dbraw/zinc/04/42/44/193044244.db2.gz GRTVHMQGBNUCJF-ZDUSSCGKSA-N 2 1 295.390 2.122 10 0 CEAEMP CCC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161600270 367099851 /nfs/dbraw/zinc/09/98/51/367099851.db2.gz JHCMKJJQQXVSPY-XHSDSOJGSA-N 2 1 297.487 2.201 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000631838605 367578549 /nfs/dbraw/zinc/57/85/49/367578549.db2.gz RAZUBLGRRUYIHI-JSGCOSHPSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000631838605 367578553 /nfs/dbraw/zinc/57/85/53/367578553.db2.gz RAZUBLGRRUYIHI-JSGCOSHPSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H]1C[NH3+] ZINC000631839129 367579395 /nfs/dbraw/zinc/57/93/95/367579395.db2.gz AQTPKEWWXNATHD-SMDDNHRTSA-N 2 1 273.355 2.401 10 0 CEAEMP C[C@H](c1ccccn1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246341896 370948443 /nfs/dbraw/zinc/94/84/43/370948443.db2.gz LNVQPTFSTBCBFP-LSDHHAIUSA-N 2 1 291.439 2.167 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2C=CCCC2)CC1 ZINC000246313408 370945423 /nfs/dbraw/zinc/94/54/23/370945423.db2.gz YWDLMEJQBMBKFW-GDBMZVCRSA-N 2 1 266.429 2.120 10 0 CEAEMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccncc2)C1 ZINC000190477172 369628451 /nfs/dbraw/zinc/62/84/51/369628451.db2.gz QIEZQOQWKWVLPJ-GOSISDBHSA-N 2 1 296.418 2.431 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000192641217 369838254 /nfs/dbraw/zinc/83/82/54/369838254.db2.gz LRFOTNLBVONZFC-KFWWJZLASA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000192641217 369838256 /nfs/dbraw/zinc/83/82/56/369838256.db2.gz LRFOTNLBVONZFC-KFWWJZLASA-N 2 1 254.418 2.121 10 0 CEAEMP CCc1nc(NC[C@H]([NH3+])c2ccccc2)cc(C)[nH+]1 ZINC000261573467 371655183 /nfs/dbraw/zinc/65/51/83/371655183.db2.gz AQIBWGTVAJVHRW-ZDUSSCGKSA-N 2 1 256.353 2.459 10 0 CEAEMP CCn1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC000261739988 371715281 /nfs/dbraw/zinc/71/52/81/371715281.db2.gz SBSVDLLNEFWAIU-QEJZJMRPSA-N 2 1 284.407 2.225 10 0 CEAEMP CCn1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC000261739988 371715290 /nfs/dbraw/zinc/71/52/90/371715290.db2.gz SBSVDLLNEFWAIU-QEJZJMRPSA-N 2 1 284.407 2.225 10 0 CEAEMP [NH3+]C[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1c1ccccc1 ZINC000261826820 371744119 /nfs/dbraw/zinc/74/41/19/371744119.db2.gz NZZHOPKJLXWBBW-KGLIPLIRSA-N 2 1 273.405 2.317 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1c1ccccc1 ZINC000261826820 371744124 /nfs/dbraw/zinc/74/41/24/371744124.db2.gz NZZHOPKJLXWBBW-KGLIPLIRSA-N 2 1 273.405 2.317 10 0 CEAEMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261853734 371751593 /nfs/dbraw/zinc/75/15/93/371751593.db2.gz BKWWGTLIJHZSTQ-BZUAXINKSA-N 2 1 266.429 2.313 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643454027 373126101 /nfs/dbraw/zinc/12/61/01/373126101.db2.gz BBKPMNRGVDEUBE-OUJBWJOFSA-N 2 1 251.374 2.330 10 0 CEAEMP CCn1nc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000312246493 376706849 /nfs/dbraw/zinc/70/68/49/376706849.db2.gz DQJWOJPWSHCJEQ-PVXIVEMSSA-N 2 1 278.444 2.498 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000094459006 184803972 /nfs/dbraw/zinc/80/39/72/184803972.db2.gz HATDMOWGQPJZEU-BZUAXINKSA-N 2 1 265.445 2.064 10 0 CEAEMP CC1(C)CCCC[C@]1(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000094280690 184775364 /nfs/dbraw/zinc/77/53/64/184775364.db2.gz GGAPVHWHWCUWNP-MRXNPFEDSA-N 2 1 265.445 2.064 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCCCCC[NH3+] ZINC000094462036 184805235 /nfs/dbraw/zinc/80/52/35/184805235.db2.gz MSFPSHZDCNATIB-HUUCEWRRSA-N 2 1 253.434 2.064 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000093068623 135079022 /nfs/dbraw/zinc/07/90/22/135079022.db2.gz JNAOWJRRXDHMAB-CABCVRRESA-N 2 1 291.439 2.061 10 0 CEAEMP Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)ccc1CC[NH3+] ZINC000094444554 135089026 /nfs/dbraw/zinc/08/90/26/135089026.db2.gz QEWJHNYYDNLUPF-QGZVFWFLSA-N 2 1 273.424 2.171 10 0 CEAEMP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCCC1 ZINC000398952754 400563159 /nfs/dbraw/zinc/56/31/59/400563159.db2.gz CXFUZIVRGJKPEO-HNNXBMFYSA-N 2 1 254.418 2.002 10 0 CEAEMP Cc1[nH+]cn([C@@H](C[NH3+])C(F)(F)C(F)(F)F)c1C ZINC000616568484 400668990 /nfs/dbraw/zinc/66/89/90/400668990.db2.gz AVPPNMVPIXDYOP-ZETCQYMHSA-N 2 1 257.206 2.197 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3F)C[C@@H]12 ZINC000261584019 153776311 /nfs/dbraw/zinc/77/63/11/153776311.db2.gz SAAKWKVXGUNGCE-UFGOTCBOSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@@H]12 ZINC000261584019 153776317 /nfs/dbraw/zinc/77/63/17/153776317.db2.gz SAAKWKVXGUNGCE-UFGOTCBOSA-N 2 1 252.308 2.134 10 0 CEAEMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000173345939 287032065 /nfs/dbraw/zinc/03/20/65/287032065.db2.gz LHSNXENLMPHNQO-GDBMZVCRSA-N 2 1 262.397 2.184 10 0 CEAEMP COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180104493 165296256 /nfs/dbraw/zinc/29/62/56/165296256.db2.gz CIFBITFGKOMBSW-ALOPSCKCSA-N 2 1 274.408 2.418 10 0 CEAEMP CC[C@@H]1CC[C@H]([NH3+])[C@@H]([N@H+](C)CCc2ccccn2)C1 ZINC000020260944 171118139 /nfs/dbraw/zinc/11/81/39/171118139.db2.gz VDVKOLCYVNFAMW-KBMXLJTQSA-N 2 1 261.413 2.462 10 0 CEAEMP CC[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000020260944 171118142 /nfs/dbraw/zinc/11/81/42/171118142.db2.gz VDVKOLCYVNFAMW-KBMXLJTQSA-N 2 1 261.413 2.462 10 0 CEAEMP CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043217 174049757 /nfs/dbraw/zinc/04/97/57/174049757.db2.gz AXLXPCUGOCQEBS-ZBFHGGJFSA-N 2 1 295.471 2.144 10 0 CEAEMP CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043217 174049759 /nfs/dbraw/zinc/04/97/59/174049759.db2.gz AXLXPCUGOCQEBS-ZBFHGGJFSA-N 2 1 295.471 2.144 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(O)c(OC)c2)C1 ZINC000040592468 174347544 /nfs/dbraw/zinc/34/75/44/174347544.db2.gz DIJVQNNDLASFDC-QWHCGFSZSA-N 2 1 278.396 2.393 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(O)c(OC)c2)C1 ZINC000040592468 174347545 /nfs/dbraw/zinc/34/75/45/174347545.db2.gz DIJVQNNDLASFDC-QWHCGFSZSA-N 2 1 278.396 2.393 10 0 CEAEMP CC(C)Oc1cccc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1 ZINC000040640962 174364271 /nfs/dbraw/zinc/36/42/71/174364271.db2.gz KADQUTRUBBJRDB-QGZVFWFLSA-N 2 1 291.439 2.111 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)C[C@@H]12 ZINC000312675135 414865172 /nfs/dbraw/zinc/86/51/72/414865172.db2.gz JRDDHWROQHMFOG-RRCSTGOVSA-N 2 1 272.392 2.222 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)C[C@H]12 ZINC000312675131 414865870 /nfs/dbraw/zinc/86/58/70/414865870.db2.gz JRDDHWROQHMFOG-BFJAYTPKSA-N 2 1 272.392 2.222 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCCCCCC1 ZINC000043819368 175113763 /nfs/dbraw/zinc/11/37/63/175113763.db2.gz MJBDLQBTSJTCKA-HUUCEWRRSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890416 175118125 /nfs/dbraw/zinc/11/81/25/175118125.db2.gz WHGKCFNODOERSW-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890155 175118163 /nfs/dbraw/zinc/11/81/63/175118163.db2.gz PWQSAJRWRPHXHY-SNPRPXQTSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH+]1CCC([NH2+][C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747045 175242794 /nfs/dbraw/zinc/24/27/94/175242794.db2.gz XJOYNNKMXSMUFW-INIZCTEOSA-N 2 1 260.381 2.453 10 0 CEAEMP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccccc1C ZINC000045043391 175294850 /nfs/dbraw/zinc/29/48/50/175294850.db2.gz AJDQZWBGYNZOHP-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1C ZINC000045043391 175294852 /nfs/dbraw/zinc/29/48/52/175294852.db2.gz AJDQZWBGYNZOHP-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000045167182 175319474 /nfs/dbraw/zinc/31/94/74/175319474.db2.gz TYBNEIWEBNJZJY-NSHDSACASA-N 2 1 266.433 2.275 10 0 CEAEMP CCCC[N@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045368362 175363156 /nfs/dbraw/zinc/36/31/56/175363156.db2.gz HMUWBWMCPQDANB-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045368362 175363158 /nfs/dbraw/zinc/36/31/58/175363158.db2.gz HMUWBWMCPQDANB-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[NH+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045375942 175366233 /nfs/dbraw/zinc/36/62/33/175366233.db2.gz JQTVXKOSLAJPGN-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)CC(C)C)[NH2+]C ZINC000045381808 175369856 /nfs/dbraw/zinc/36/98/56/175369856.db2.gz FHIIFPBDCXIUMC-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)CC(C)C)[NH2+]C ZINC000045381808 175369857 /nfs/dbraw/zinc/36/98/57/175369857.db2.gz FHIIFPBDCXIUMC-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382390 175371233 /nfs/dbraw/zinc/37/12/33/175371233.db2.gz YDBVKASDNKNDHE-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382390 175371234 /nfs/dbraw/zinc/37/12/34/175371234.db2.gz YDBVKASDNKNDHE-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP COC(=O)[C@@](C)(CCCC[N@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419928 175378094 /nfs/dbraw/zinc/37/80/94/175378094.db2.gz TWIRZYOAKINZFF-MRXNPFEDSA-N 2 1 284.444 2.428 10 0 CEAEMP COC(=O)[C@@](C)(CCCC[N@@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419928 175378096 /nfs/dbraw/zinc/37/80/96/175378096.db2.gz TWIRZYOAKINZFF-MRXNPFEDSA-N 2 1 284.444 2.428 10 0 CEAEMP c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000071090730 176031198 /nfs/dbraw/zinc/03/11/98/176031198.db2.gz NXFSQECFJVEKRN-RDTXWAMCSA-N 2 1 286.419 2.374 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2OC)C1 ZINC000071142494 176040149 /nfs/dbraw/zinc/04/01/49/176040149.db2.gz LPXKXRDANSYUOP-UONOGXRCSA-N 2 1 262.397 2.168 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071162239 176046568 /nfs/dbraw/zinc/04/65/68/176046568.db2.gz RTFZFIGXCBZJJC-OAGGEKHMSA-N 2 1 267.461 2.168 10 0 CEAEMP COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000071169805 176050683 /nfs/dbraw/zinc/05/06/83/176050683.db2.gz HLRSQXDGISWDAN-DZGCQCFKSA-N 2 1 262.397 2.297 10 0 CEAEMP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071187851 176062118 /nfs/dbraw/zinc/06/21/18/176062118.db2.gz YNCLQNRWGQGTSC-UXLLHSPISA-N 2 1 275.440 2.267 10 0 CEAEMP CCCCCC[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188607 176063649 /nfs/dbraw/zinc/06/36/49/176063649.db2.gz KTZPNNJIHQCFIY-HUUCEWRRSA-N 2 1 255.450 2.168 10 0 CEAEMP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000071188982 176064981 /nfs/dbraw/zinc/06/49/81/176064981.db2.gz GGIDUQBKGKAHKM-NVXWUHKLSA-N 2 1 275.440 2.139 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(F)cc1C[NH2+]C1CC1 ZINC000071190073 176065894 /nfs/dbraw/zinc/06/58/94/176065894.db2.gz SXLHKUUIESOCIT-ZDUSSCGKSA-N 2 1 291.414 2.466 10 0 CEAEMP CC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000071191944 176071881 /nfs/dbraw/zinc/07/18/81/176071881.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 2 1 279.428 2.081 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000071191925 176072673 /nfs/dbraw/zinc/07/26/73/176072673.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 3 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191925 176072674 /nfs/dbraw/zinc/07/26/74/176072674.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 3 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191925 176072675 /nfs/dbraw/zinc/07/26/75/176072675.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 3 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191925 176072677 /nfs/dbraw/zinc/07/26/77/176072677.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 2 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(CN(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191925 176072679 /nfs/dbraw/zinc/07/26/79/176072679.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 2 1 275.440 2.180 10 0 CEAEMP CC(C)C[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191834 176072694 /nfs/dbraw/zinc/07/26/94/176072694.db2.gz NSRNDPIQTCQPMH-OAHLLOKOSA-N 2 1 293.455 2.409 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](CCOC)[C@@H](C)COC ZINC000071289732 176110693 /nfs/dbraw/zinc/11/06/93/176110693.db2.gz SIZJDCXFACIBSX-HNNXBMFYSA-N 2 1 274.449 2.140 10 0 CEAEMP CCC[NH2+]CCCCCC[N@H+]1CC[C@H](N(C)C)C1 ZINC000071289976 176110756 /nfs/dbraw/zinc/11/07/56/176110756.db2.gz HYVZCGFHCORMKK-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCCCCN1CC[C@H]([NH+](C)C)C1 ZINC000071289976 176110757 /nfs/dbraw/zinc/11/07/57/176110757.db2.gz HYVZCGFHCORMKK-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCOC(=O)CCCCC[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000071293763 176111437 /nfs/dbraw/zinc/11/14/37/176111437.db2.gz JWCPFOAMFJFJQE-CQSZACIVSA-N 2 1 270.417 2.184 10 0 CEAEMP CCOC(=O)CCCCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000071297825 176112591 /nfs/dbraw/zinc/11/25/91/176112591.db2.gz PMEDHKODPJJQTN-KBPBESRZSA-N 2 1 270.417 2.169 10 0 CEAEMP CN1CCC[C@@H]([N@@H+](C)CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071402058 176153722 /nfs/dbraw/zinc/15/37/22/176153722.db2.gz RVMJYIWWSPVXFF-SJORKVTESA-N 2 1 275.440 2.493 10 0 CEAEMP c1csc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260290 415728975 /nfs/dbraw/zinc/72/89/75/415728975.db2.gz KNAAJEJRWCKMPI-STQMWFEESA-N 2 1 293.436 2.191 10 0 CEAEMP c1csc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260290 415728981 /nfs/dbraw/zinc/72/89/81/415728981.db2.gz KNAAJEJRWCKMPI-STQMWFEESA-N 2 1 293.436 2.191 10 0 CEAEMP O[C@@]1(C[NH2+]C2c3ccccc3-c3ccccc32)CC[NH2+]C1 ZINC000077353736 177255602 /nfs/dbraw/zinc/25/56/02/177255602.db2.gz HEDZJHGUBFZLRU-SFHVURJKSA-N 2 1 280.371 2.070 10 0 CEAEMP CC(C)C[NH2+]CCCCC[NH+]1CCN(CC2CC2)CC1 ZINC000052372506 519743181 /nfs/dbraw/zinc/74/31/81/519743181.db2.gz HSGDVKWTSDENMI-UHFFFAOYSA-N 2 1 281.488 2.430 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711759 519911200 /nfs/dbraw/zinc/91/12/00/519911200.db2.gz NQMDKBDSFXGIED-AWEZNQCLSA-N 2 1 254.418 2.003 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCOCC2(C)C)cc1 ZINC000052546175 519994442 /nfs/dbraw/zinc/99/44/42/519994442.db2.gz BJHXXBARVKDLBU-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+][C@H](c1ccccc1)[C@H](C)C[N@H+]1CC[C@H](O)C1 ZINC000061712053 520211341 /nfs/dbraw/zinc/21/13/41/520211341.db2.gz LAOSFXSHRZEWPN-KBMXLJTQSA-N 2 1 262.397 2.040 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1cccc(C)c1 ZINC000062740995 520307895 /nfs/dbraw/zinc/30/78/95/520307895.db2.gz QDOVQAZJBKWIMF-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C)C1 ZINC000052372324 520527327 /nfs/dbraw/zinc/52/73/27/520527327.db2.gz HEYJXNVLSWCWJV-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400440248 533939074 /nfs/dbraw/zinc/93/90/74/533939074.db2.gz MFCTZYWUHDVTRK-YOEHRIQHSA-N 2 1 284.407 2.019 10 0 CEAEMP CC(C)(C)[NH2+]Cc1cnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000054909500 518767920 /nfs/dbraw/zinc/76/79/20/518767920.db2.gz WXRRFYOYJIAQSI-UHFFFAOYSA-N 2 1 294.468 2.316 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[NH+]2CCN(C3CC3)CC2)cc1 ZINC000052371382 519726808 /nfs/dbraw/zinc/72/68/08/519726808.db2.gz IQPPSPAMXRNPIB-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182201 519742874 /nfs/dbraw/zinc/74/28/74/519742874.db2.gz CGHVENYWUJIVPX-HNNXBMFYSA-N 2 1 268.445 2.371 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504454 519747886 /nfs/dbraw/zinc/74/78/86/519747886.db2.gz RJYSGQMSPVSKTL-AWEZNQCLSA-N 2 1 295.475 2.390 10 0 CEAEMP CCCC1CCN([C@@]2(C[NH3+])CC[N@H+](C(C)C)C2)CC1 ZINC000050893250 519903486 /nfs/dbraw/zinc/90/34/86/519903486.db2.gz LDPNCCZGLWDUHA-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054629102 519911147 /nfs/dbraw/zinc/91/11/47/519911147.db2.gz WNXFKBDQQAWCFT-AVOUXACISA-N 2 1 252.402 2.018 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480091 519913514 /nfs/dbraw/zinc/91/35/14/519913514.db2.gz OQUDMGUPEKXZFR-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2OC)O1 ZINC000052542304 519953932 /nfs/dbraw/zinc/95/39/32/519953932.db2.gz JLTCPMZODCJXHM-JKSUJKDBSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417295 519969949 /nfs/dbraw/zinc/96/99/49/519969949.db2.gz GBAPKVXFNSPHJJ-HNNXBMFYSA-N 2 1 261.413 2.054 10 0 CEAEMP CC[NH2+]Cc1oc(C[N@@H+](CCOC)[C@@H](C)COC)cc1C ZINC000052572469 520027847 /nfs/dbraw/zinc/02/78/47/520027847.db2.gz XOMDNMMZUXVERL-AWEZNQCLSA-N 2 1 298.427 2.181 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068620988 520109949 /nfs/dbraw/zinc/10/99/49/520109949.db2.gz CBFBRUHMTQLBEQ-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068620988 520109955 /nfs/dbraw/zinc/10/99/55/520109955.db2.gz CBFBRUHMTQLBEQ-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121972 520119085 /nfs/dbraw/zinc/11/90/85/520119085.db2.gz ZFJAAABVCULRSI-JKSUJKDBSA-N 3 1 267.461 2.038 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](CC)CCO ZINC000054560041 520120178 /nfs/dbraw/zinc/12/01/78/520120178.db2.gz FRKYYOAGLCQNMX-BZUAXINKSA-N 2 1 270.461 2.351 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653578 520123267 /nfs/dbraw/zinc/12/32/67/520123267.db2.gz VBNIXYSUMGVITD-QBPKDAKJSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653578 520123271 /nfs/dbraw/zinc/12/32/71/520123271.db2.gz VBNIXYSUMGVITD-QBPKDAKJSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054627603 520633431 /nfs/dbraw/zinc/63/34/31/520633431.db2.gz YYUUVFKJJHYPHQ-HNSVSWJLSA-N 3 1 267.461 2.451 10 0 CEAEMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000049556613 520722702 /nfs/dbraw/zinc/72/27/02/520722702.db2.gz KKAVVAVQPPQTQH-ZBFHGGJFSA-N 2 1 264.413 2.348 10 0 CEAEMP CC[N@@H+](CCCCCO)Cc1ccccc1C[NH3+] ZINC000051020320 521002357 /nfs/dbraw/zinc/00/23/57/521002357.db2.gz KZGFMTVKEIPIOK-UHFFFAOYSA-N 2 1 250.386 2.130 10 0 CEAEMP CCC[C@H](C)[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052480669 521035251 /nfs/dbraw/zinc/03/52/51/521035251.db2.gz MHGYELDAYHTONS-ZDUSSCGKSA-N 2 1 281.448 2.287 10 0 CEAEMP CCC[N@@H+](CCN(C)C)Cc1ccccc1C[NH2+]C ZINC000052544276 521657674 /nfs/dbraw/zinc/65/76/74/521657674.db2.gz KHUDOKAZLDRKKF-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCCN(CC[NH+](C)C)Cc1ccccc1C[NH2+]C ZINC000052544276 521657676 /nfs/dbraw/zinc/65/76/76/521657676.db2.gz KHUDOKAZLDRKKF-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000061654453 521871370 /nfs/dbraw/zinc/87/13/70/521871370.db2.gz GUEGWIPUEMKZAO-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH+](C)C[C@H]1CCCN1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000061654453 521871378 /nfs/dbraw/zinc/87/13/78/521871378.db2.gz GUEGWIPUEMKZAO-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](Cc2ccco2)C2CC2)O1 ZINC000052370910 522094107 /nfs/dbraw/zinc/09/41/07/522094107.db2.gz AEWQJRDHWARRFF-HIFRSBDPSA-N 2 1 264.369 2.011 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000052453364 522123313 /nfs/dbraw/zinc/12/33/13/522123313.db2.gz IOXNQCMGVXPEOU-CQSZACIVSA-N 2 1 280.437 2.222 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+](C)CCOC ZINC000052572818 522160953 /nfs/dbraw/zinc/16/09/53/522160953.db2.gz RCDDYPDEEJQTGS-UHFFFAOYSA-N 2 1 262.353 2.230 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCOC[C@H]1C ZINC000052475836 522161318 /nfs/dbraw/zinc/16/13/18/522161318.db2.gz YQFXZPGBARHREJ-GFCCVEGCSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCOC[C@H]1C ZINC000052475836 522161322 /nfs/dbraw/zinc/16/13/22/522161322.db2.gz YQFXZPGBARHREJ-GFCCVEGCSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+][C@H]1CC(C)(C)Cc2nc(N3CC[NH+](C)CC3)sc21 ZINC000054900287 522486977 /nfs/dbraw/zinc/48/69/77/522486977.db2.gz YNZHXINDUAFXPE-NSHDSACASA-N 2 1 294.468 2.128 10 0 CEAEMP C[N@@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CC1 ZINC000052181275 522592987 /nfs/dbraw/zinc/59/29/87/522592987.db2.gz SLYBUJXIDXOHHH-UHFFFAOYSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@H]1CCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180417 523108869 /nfs/dbraw/zinc/10/88/69/523108869.db2.gz QVKKQLGXMFUHHK-HNNXBMFYSA-N 2 1 266.429 2.410 10 0 CEAEMP CCn1cc(C[NH2+]CCCC[N@@H+](C)C(C)C)cn1 ZINC000050539811 523382240 /nfs/dbraw/zinc/38/22/40/523382240.db2.gz SPWSAKYKGRDWLC-UHFFFAOYSA-N 2 1 252.406 2.113 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570853 523518385 /nfs/dbraw/zinc/51/83/85/523518385.db2.gz OJCRSDWERWWEQV-CZUORRHYSA-N 2 1 262.397 2.405 10 0 CEAEMP COCC[N@@H+](C)CCOc1ccccc1C[NH2+]CC(C)C ZINC000052572849 523615939 /nfs/dbraw/zinc/61/59/39/523615939.db2.gz LSTSSHVHPOXOJL-UHFFFAOYSA-N 2 1 294.439 2.389 10 0 CEAEMP COCC[N@@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052572871 523619958 /nfs/dbraw/zinc/61/99/58/523619958.db2.gz SXZLKAQILNIJAD-UHFFFAOYSA-N 2 1 264.394 2.438 10 0 CEAEMP CC[C@@]1(C)CN(Cc2[nH+]cc(C)c(OC)c2C)CC[NH2+]1 ZINC000068693134 523716612 /nfs/dbraw/zinc/71/66/12/523716612.db2.gz KMICLNLOLSEFCH-INIZCTEOSA-N 2 1 277.412 2.281 10 0 CEAEMP COCC[N@@H+](Cc1ccc(C[NH2+]C(C)C)o1)[C@@H](C)COC ZINC000052572332 523749250 /nfs/dbraw/zinc/74/92/50/523749250.db2.gz DBBWSZSMWAILBB-AWEZNQCLSA-N 2 1 298.427 2.261 10 0 CEAEMP COCC[N@@H+](Cc1ccoc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052572352 523771543 /nfs/dbraw/zinc/77/15/43/523771543.db2.gz QRZJVIHLSQOSLM-ZDUSSCGKSA-N 2 1 296.411 2.015 10 0 CEAEMP COCC[N@@H+](Cc1occc1C[NH2+]C(C)C)[C@@H](C)COC ZINC000052572318 523778077 /nfs/dbraw/zinc/77/80/77/523778077.db2.gz KYXIEWIZIFAMBR-AWEZNQCLSA-N 2 1 298.427 2.261 10 0 CEAEMP COCC[N@@H+]([C@H](C)CCC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572402 523781122 /nfs/dbraw/zinc/78/11/22/523781122.db2.gz GUNQYFUQUKEHQT-CABCVRRESA-N 2 1 274.449 2.136 10 0 CEAEMP COCC[N@@H+]([C@@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572463 523781431 /nfs/dbraw/zinc/78/14/31/523781431.db2.gz TXPLIAYXRLYHMR-KBPBESRZSA-N 2 1 274.449 2.136 10 0 CEAEMP COCC[N@@H+]([C@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017251 523782062 /nfs/dbraw/zinc/78/20/62/523782062.db2.gz NZZODCIUGSDUIU-ZBFHGGJFSA-N 2 1 280.412 2.060 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000052762563 523793381 /nfs/dbraw/zinc/79/33/81/523793381.db2.gz URXZNAIVJMWESN-HUUCEWRRSA-N 2 1 254.418 2.098 10 0 CEAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762563 523793386 /nfs/dbraw/zinc/79/33/86/523793386.db2.gz URXZNAIVJMWESN-HUUCEWRRSA-N 2 1 254.418 2.098 10 0 CEAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1CCCO ZINC000052762563 523793391 /nfs/dbraw/zinc/79/33/91/523793391.db2.gz URXZNAIVJMWESN-HUUCEWRRSA-N 2 1 254.418 2.098 10 0 CEAEMP C[NH+]1CCN(c2nc(-c3ccccc3)c(C[NH3+])s2)CC1 ZINC000054995385 523927808 /nfs/dbraw/zinc/92/78/08/523927808.db2.gz DHCAEBVIYIWXCO-UHFFFAOYSA-N 2 1 288.420 2.021 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052547356 523939742 /nfs/dbraw/zinc/93/97/42/523939742.db2.gz MRXHGHBQNSGLKY-NSHDSACASA-N 2 1 254.374 2.294 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCCC[C@H](C)[NH2+]C)CC1 ZINC000055065109 523953528 /nfs/dbraw/zinc/95/35/28/523953528.db2.gz GZHUZHILKFJLOS-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH+](C)C1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000052477521 524039627 /nfs/dbraw/zinc/03/96/27/524039627.db2.gz CFTYGEDIEOSFIT-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH+](C)CC1CC[NH+]([C@H]2CNCc3ccccc32)CC1 ZINC000069266404 524050541 /nfs/dbraw/zinc/05/05/41/524050541.db2.gz LMTBRSFWRRTMLA-KRWDZBQOSA-N 2 1 273.424 2.105 10 0 CEAEMP C[C@H](CC[NH2+]C(C)(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515504 524191550 /nfs/dbraw/zinc/19/15/50/524191550.db2.gz HOWTURXNSSXHJC-CQSZACIVSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@@H]1CCC[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125537 524346398 /nfs/dbraw/zinc/34/63/98/524346398.db2.gz JEGDVSPHMBXHHZ-FXUDXRNXSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000049553776 524479725 /nfs/dbraw/zinc/47/97/25/524479725.db2.gz GDOIKWXPDWJFMG-RDJZCZTQSA-N 2 1 275.440 2.191 10 0 CEAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000049553776 524479734 /nfs/dbraw/zinc/47/97/34/524479734.db2.gz GDOIKWXPDWJFMG-RDJZCZTQSA-N 2 1 275.440 2.191 10 0 CEAEMP Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)oc1C[NH3+] ZINC000052417316 524700587 /nfs/dbraw/zinc/70/05/87/524700587.db2.gz QLWYWKKXGVMNAO-UHFFFAOYSA-N 2 1 285.391 2.369 10 0 CEAEMP C[C@@H]([NH3+])[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514061 525004010 /nfs/dbraw/zinc/00/40/10/525004010.db2.gz ICXKGIAZPOIDDM-UKRRQHHQSA-N 2 1 264.413 2.243 10 0 CEAEMP C[C@@H]([NH3+])[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514061 525004019 /nfs/dbraw/zinc/00/40/19/525004019.db2.gz ICXKGIAZPOIDDM-UKRRQHHQSA-N 2 1 264.413 2.243 10 0 CEAEMP Cc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)nc(C)[nH+]1 ZINC000053701707 525066036 /nfs/dbraw/zinc/06/60/36/525066036.db2.gz RZKVSCMYOSMYCO-AWEZNQCLSA-N 2 1 262.401 2.308 10 0 CEAEMP COc1cccc(C[N@@H+](C)Cc2cccnc2C[NH3+])c1 ZINC000061656677 525911841 /nfs/dbraw/zinc/91/18/41/525911841.db2.gz BAVSXGABKNXRPF-UHFFFAOYSA-N 2 1 271.364 2.181 10 0 CEAEMP c1ccc(C[NH+]2CCN(CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764567 526470957 /nfs/dbraw/zinc/47/09/57/526470957.db2.gz VJDIJHSDINMTNZ-GOSISDBHSA-N 2 1 287.451 2.336 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573147 526770896 /nfs/dbraw/zinc/77/08/96/526770896.db2.gz RIKGMLUKQSUFQN-LSDHHAIUSA-N 2 1 264.369 2.190 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573147 526770899 /nfs/dbraw/zinc/77/08/99/526770899.db2.gz RIKGMLUKQSUFQN-LSDHHAIUSA-N 2 1 264.369 2.190 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052182757 527163658 /nfs/dbraw/zinc/16/36/58/527163658.db2.gz QKDLQEBTOQMOLH-HNNXBMFYSA-N 2 1 266.429 2.397 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757145934 574510374 /nfs/dbraw/zinc/51/03/74/574510374.db2.gz JHXBJMVGGICTIM-GFCCVEGCSA-N 2 1 252.402 2.412 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261972836 624028142 /nfs/dbraw/zinc/02/81/42/624028142.db2.gz QSXPWYNIPFNFOO-BBWFWOEESA-N 2 1 274.408 2.242 10 0 CEAEMP C[N@@H+](Cc1cccc2c1NCCC2)C[C@H]1CC[NH+](C)C1 ZINC000312738430 628494684 /nfs/dbraw/zinc/49/46/84/628494684.db2.gz UTWWIAPXPCTNIZ-AWEZNQCLSA-N 2 1 273.424 2.428 10 0 CEAEMP C[N@H+](Cc1cccc2c1NCCC2)C[C@H]1CC[NH+](C)C1 ZINC000312738430 628494688 /nfs/dbraw/zinc/49/46/88/628494688.db2.gz UTWWIAPXPCTNIZ-AWEZNQCLSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1cccc2c1NCCC2)C[C@H]1CC[N@H+](C)C1 ZINC000312738430 628494691 /nfs/dbraw/zinc/49/46/91/628494691.db2.gz UTWWIAPXPCTNIZ-AWEZNQCLSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1cccc2c1NCCC2)C[C@H]1CC[N@@H+](C)C1 ZINC000312738430 628494694 /nfs/dbraw/zinc/49/46/94/628494694.db2.gz UTWWIAPXPCTNIZ-AWEZNQCLSA-N 2 1 273.424 2.428 10 0 CEAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]cc3Br)C[C@@H]21 ZINC000231577393 639864159 /nfs/dbraw/zinc/86/41/59/639864159.db2.gz DTCZMJTZOZWVJY-JBLDHEPKSA-N 2 1 296.212 2.408 10 0 CEAEMP CC1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252550216 641579601 /nfs/dbraw/zinc/57/96/01/641579601.db2.gz OKVUJQAYCWVBLD-CKUJCDMFSA-N 2 1 266.429 2.266 10 0 CEAEMP CC1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252550216 641579603 /nfs/dbraw/zinc/57/96/03/641579603.db2.gz OKVUJQAYCWVBLD-CKUJCDMFSA-N 2 1 266.429 2.266 10 0 CEAEMP CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000121828299 365620024 /nfs/dbraw/zinc/62/00/24/365620024.db2.gz IGPHWIWWAMIUNK-GJZGRUSLSA-N 2 1 283.460 2.097 10 0 CEAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262804 539211637 /nfs/dbraw/zinc/21/16/37/539211637.db2.gz RZDHXEUOPAANJN-VXGBXAGGSA-N 2 1 258.287 2.500 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cncnc3)C2)[nH+]1 ZINC000128267965 539253030 /nfs/dbraw/zinc/25/30/30/539253030.db2.gz LWWRIJGWVVOXJM-AWEZNQCLSA-N 2 1 283.379 2.114 10 0 CEAEMP C[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399178801 539263764 /nfs/dbraw/zinc/26/37/64/539263764.db2.gz KSTXQPHMMIAZTE-UKRRQHHQSA-N 2 1 254.418 2.002 10 0 CEAEMP C[NH+](C)CCC[NH+]1CCC2(CCC(CO)CC2)CC1 ZINC000001686581 343351749 /nfs/dbraw/zinc/35/17/49/343351749.db2.gz VOFDCNGCPBSHPT-UHFFFAOYSA-N 2 1 268.445 2.203 10 0 CEAEMP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000226465271 344550141 /nfs/dbraw/zinc/55/01/41/344550141.db2.gz XIIBJLPXGWXZBW-CYBMUJFWSA-N 2 1 266.360 2.408 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000226465271 344550144 /nfs/dbraw/zinc/55/01/44/344550144.db2.gz XIIBJLPXGWXZBW-CYBMUJFWSA-N 2 1 266.360 2.408 10 0 CEAEMP Nc1cc[nH+]cc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000306498360 344713890 /nfs/dbraw/zinc/71/38/90/344713890.db2.gz DYRJRVVDDWKHJP-UHFFFAOYSA-N 2 1 282.391 2.376 10 0 CEAEMP CCOCC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403580 179053332 /nfs/dbraw/zinc/05/33/32/179053332.db2.gz BREGTTBGUDBXLF-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085510330 179085519 /nfs/dbraw/zinc/08/55/19/179085519.db2.gz LSTCYUHNPPGNTL-HZPDHXFCSA-N 2 1 276.428 2.044 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613224 179103024 /nfs/dbraw/zinc/10/30/24/179103024.db2.gz ZBKOMDCVYQHMGT-ZDUSSCGKSA-N 2 1 294.361 2.419 10 0 CEAEMP C[N@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccsc1 ZINC000085615415 179104716 /nfs/dbraw/zinc/10/47/16/179104716.db2.gz SDXSTURYULEICQ-LBPRGKRZSA-N 2 1 256.440 2.275 10 0 CEAEMP C[N@@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccsc1 ZINC000085615415 179104717 /nfs/dbraw/zinc/10/47/17/179104717.db2.gz SDXSTURYULEICQ-LBPRGKRZSA-N 2 1 256.440 2.275 10 0 CEAEMP CC(C)[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086172120 179244277 /nfs/dbraw/zinc/24/42/77/179244277.db2.gz BPWNBHVDIQHWJK-OWCLPIDISA-N 2 1 267.461 2.035 10 0 CEAEMP CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086173647 179244554 /nfs/dbraw/zinc/24/45/54/179244554.db2.gz PWPQJRXFINJFFV-HZPDHXFCSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086173647 179244556 /nfs/dbraw/zinc/24/45/56/179244556.db2.gz PWPQJRXFINJFFV-HZPDHXFCSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2C[C@H](CC(C)C)NC[C@@H]2C)CC1 ZINC000086259167 179257726 /nfs/dbraw/zinc/25/77/26/179257726.db2.gz RPTAOFZHCFYAIO-RDJZCZTQSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@H](CC(C)C)NC[C@@H]2C)CC1 ZINC000086259167 179257728 /nfs/dbraw/zinc/25/77/28/179257728.db2.gz RPTAOFZHCFYAIO-RDJZCZTQSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259198 179258231 /nfs/dbraw/zinc/25/82/31/179258231.db2.gz MSFHGSRIGSZLDM-JZXOWHBKSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259663 179259446 /nfs/dbraw/zinc/25/94/46/179259446.db2.gz ZSWSZPBMDXOXSA-BFYDXBDKSA-N 2 1 279.472 2.322 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261046 179260284 /nfs/dbraw/zinc/26/02/84/179260284.db2.gz ANMYLAGHDYWBBU-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@]1(C)CN(CCCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086261046 179260285 /nfs/dbraw/zinc/26/02/85/179260285.db2.gz ANMYLAGHDYWBBU-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP Cc1cccc(OCC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086291109 179265472 /nfs/dbraw/zinc/26/54/72/179265472.db2.gz NLSQRWMDWOEEOU-KRWDZBQOSA-N 2 1 274.408 2.448 10 0 CEAEMP Cc1cccc(OCC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086291109 179265474 /nfs/dbraw/zinc/26/54/74/179265474.db2.gz NLSQRWMDWOEEOU-KRWDZBQOSA-N 2 1 274.408 2.448 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289408 179264596 /nfs/dbraw/zinc/26/45/96/179264596.db2.gz KMASDZADOMHJQV-MRXNPFEDSA-N 2 1 279.472 2.469 10 0 CEAEMP CCC1(CC)C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086259061 179256795 /nfs/dbraw/zinc/25/67/95/179256795.db2.gz QWYNEYXXWJLMDX-AWEZNQCLSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC1(CC)CN(CC2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000086259061 179256796 /nfs/dbraw/zinc/25/67/96/179256796.db2.gz QWYNEYXXWJLMDX-AWEZNQCLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291442 179265784 /nfs/dbraw/zinc/26/57/84/179265784.db2.gz UQYFZTYSPAZUER-MRXNPFEDSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)C[C@@H]1CN(CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291442 179265785 /nfs/dbraw/zinc/26/57/85/179265785.db2.gz UQYFZTYSPAZUER-MRXNPFEDSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291666 179265986 /nfs/dbraw/zinc/26/59/86/179265986.db2.gz LMBVTENBKFTTNN-HRCADAONSA-N 2 1 267.461 2.181 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000086399739 179285332 /nfs/dbraw/zinc/28/53/32/179285332.db2.gz DLKHUQHXJJBKJY-GHMZBOCLSA-N 2 1 269.186 2.419 10 0 CEAEMP CCN(Cc1cccs1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819400 179347945 /nfs/dbraw/zinc/34/79/45/179347945.db2.gz NCQRPELEVXLCRZ-OAHLLOKOSA-N 2 1 281.469 2.383 10 0 CEAEMP CN(c1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819506 179348251 /nfs/dbraw/zinc/34/82/51/179348251.db2.gz WRKMBWMWKZNENZ-OAHLLOKOSA-N 2 1 265.376 2.075 10 0 CEAEMP CCc1ccc(N(C)[C@]2(C[NH3+])CCC[N@@H+](C)CC2)cc1 ZINC000086819514 179348641 /nfs/dbraw/zinc/34/86/41/179348641.db2.gz ZMLJITLSYATCEU-QGZVFWFLSA-N 2 1 275.440 2.498 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848373 179356312 /nfs/dbraw/zinc/35/63/12/179356312.db2.gz VQGKUKRLGZDIHQ-MRXNPFEDSA-N 2 1 279.403 2.465 10 0 CEAEMP CCC(CC)N(C)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847164 179356351 /nfs/dbraw/zinc/35/63/51/179356351.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[N@H+](C)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086847164 179356353 /nfs/dbraw/zinc/35/63/53/179356353.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[N@@H+](C)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086847164 179356354 /nfs/dbraw/zinc/35/63/54/179356354.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[NH+](C)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086847164 179356355 /nfs/dbraw/zinc/35/63/55/179356355.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[NH+](C)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086847164 179356356 /nfs/dbraw/zinc/35/63/56/179356356.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2OC)CC1 ZINC000086848303 179356487 /nfs/dbraw/zinc/35/64/87/179356487.db2.gz SGSCLCSBWHADQI-QGZVFWFLSA-N 2 1 291.439 2.335 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847541 179356512 /nfs/dbraw/zinc/35/65/12/179356512.db2.gz HDEJBHKYADYWPQ-OAHLLOKOSA-N 2 1 285.501 2.019 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000086848433 179356603 /nfs/dbraw/zinc/35/66/03/179356603.db2.gz WMVVGHPEPBBINU-QGZVFWFLSA-N 2 1 273.424 2.206 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)CC1 ZINC000086842474 179354092 /nfs/dbraw/zinc/35/40/92/179354092.db2.gz YXDOVANYQSPWMM-OAHLLOKOSA-N 2 1 262.397 2.399 10 0 CEAEMP CCCN(C(C)C)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846774 179355213 /nfs/dbraw/zinc/35/52/13/179355213.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@H+](C(C)C)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846774 179355215 /nfs/dbraw/zinc/35/52/15/179355215.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@@H+](C(C)C)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846774 179355217 /nfs/dbraw/zinc/35/52/17/179355217.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[NH+](C(C)C)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846774 179355220 /nfs/dbraw/zinc/35/52/20/179355220.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[NH+](C(C)C)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846774 179355222 /nfs/dbraw/zinc/35/52/22/179355222.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC)C2CC2)CC1 ZINC000086846681 179355664 /nfs/dbraw/zinc/35/56/64/179355664.db2.gz UBPIRUXRSRFWQY-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP Cc1ccccc1C[N@@H+](C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875078 179364556 /nfs/dbraw/zinc/36/45/56/179364556.db2.gz UDSUSHATXPDHTF-INIZCTEOSA-N 2 1 262.397 2.325 10 0 CEAEMP Cc1ccccc1C[N@H+](C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875078 179364557 /nfs/dbraw/zinc/36/45/57/179364557.db2.gz UDSUSHATXPDHTF-INIZCTEOSA-N 2 1 262.397 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851235 179359205 /nfs/dbraw/zinc/35/92/05/179359205.db2.gz SMQULMAHDPYRIE-MRXNPFEDSA-N 3 1 267.461 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086852814 179359452 /nfs/dbraw/zinc/35/94/52/179359452.db2.gz CEEBRIVTPNUDCJ-LSDHHAIUSA-N 2 1 254.418 2.146 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])([NH+](CCOC)CCOC)CC1 ZINC000086911315 179367128 /nfs/dbraw/zinc/36/71/28/179367128.db2.gz MXELHALOAFGZNC-HZPDHXFCSA-N 2 1 286.460 2.269 10 0 CEAEMP C[C@@H]1C[C@@](C[NH3+])([N@H+]2C[C@@H](C)S[C@@H](C)C2)CS1 ZINC000086936866 179367742 /nfs/dbraw/zinc/36/77/42/179367742.db2.gz XPYOXRVHFQXAOI-WYUUTHIRSA-N 2 1 260.472 2.035 10 0 CEAEMP C[C@@H]1C[C@@](C[NH3+])([N@@H+]2C[C@@H](C)S[C@@H](C)C2)CS1 ZINC000086936866 179367743 /nfs/dbraw/zinc/36/77/43/179367743.db2.gz XPYOXRVHFQXAOI-WYUUTHIRSA-N 2 1 260.472 2.035 10 0 CEAEMP CC[N@@H+]1CC[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994901 179376324 /nfs/dbraw/zinc/37/63/24/179376324.db2.gz QBILXZOZQOAKMY-WFASDCNBSA-N 2 1 266.360 2.437 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994901 179376327 /nfs/dbraw/zinc/37/63/27/179376327.db2.gz QBILXZOZQOAKMY-WFASDCNBSA-N 2 1 266.360 2.437 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc3ccnnc32)CC1 ZINC000616627063 348539280 /nfs/dbraw/zinc/53/92/80/348539280.db2.gz BTUQUMRXIJIZCY-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@H](c2cccc3ccnnc32)CC1 ZINC000616627063 348539283 /nfs/dbraw/zinc/53/92/83/348539283.db2.gz BTUQUMRXIJIZCY-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616626991 348539401 /nfs/dbraw/zinc/53/94/01/348539401.db2.gz APCIXOCJBLZTJO-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616626991 348539402 /nfs/dbraw/zinc/53/94/02/348539402.db2.gz APCIXOCJBLZTJO-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000090566000 180005437 /nfs/dbraw/zinc/00/54/37/180005437.db2.gz FRBKQGDKZHTMPP-HZPDHXFCSA-N 2 1 262.397 2.133 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+]1CCc2sccc2C1 ZINC000090565984 180005614 /nfs/dbraw/zinc/00/56/14/180005614.db2.gz KNNRRQPQPIUVFN-KGLIPLIRSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+]1CCc2sccc2C1 ZINC000090565984 180005617 /nfs/dbraw/zinc/00/56/17/180005617.db2.gz KNNRRQPQPIUVFN-KGLIPLIRSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCC[C@@H]1C(C)C ZINC000090567290 180006840 /nfs/dbraw/zinc/00/68/40/180006840.db2.gz ZDCGFNRMMGYZMC-RBSFLKMASA-N 2 1 254.418 2.121 10 0 CEAEMP c1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)O2 ZINC000090878906 180051977 /nfs/dbraw/zinc/05/19/77/180051977.db2.gz UYQCSMJXPATDPU-BRWVUGGUSA-N 2 1 286.419 2.454 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879149 180053036 /nfs/dbraw/zinc/05/30/36/180053036.db2.gz CMSOWOUUZAVVBO-CQSZACIVSA-N 2 1 266.360 2.190 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@@H+](CC[NH3+])CC(C)C)O2 ZINC000090898943 180057773 /nfs/dbraw/zinc/05/77/73/180057773.db2.gz VGUNGZLNITZOEW-OAHLLOKOSA-N 2 1 262.397 2.215 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+](CC[NH3+])CC(C)C)O2 ZINC000090898943 180057775 /nfs/dbraw/zinc/05/77/75/180057775.db2.gz VGUNGZLNITZOEW-OAHLLOKOSA-N 2 1 262.397 2.215 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@H+](CCC(N)=[NH2+])C(C)C)O2 ZINC000090898688 180057939 /nfs/dbraw/zinc/05/79/39/180057939.db2.gz HFUDYKZHJMLFIE-AWEZNQCLSA-N 2 1 275.396 2.335 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C(N)=[NH2+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898683 180058510 /nfs/dbraw/zinc/05/85/10/180058510.db2.gz HGMABFQFEOEXLU-OCCSQVGLSA-N 2 1 275.396 2.192 10 0 CEAEMP [NH3+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907487 180061965 /nfs/dbraw/zinc/06/19/65/180061965.db2.gz RMPYCBMEMVLVSC-OKILXGFUSA-N 2 1 252.402 2.149 10 0 CEAEMP [NH3+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907487 180061967 /nfs/dbraw/zinc/06/19/67/180061967.db2.gz RMPYCBMEMVLVSC-OKILXGFUSA-N 2 1 252.402 2.149 10 0 CEAEMP CC(C)[C@@H](CC[NH3+])CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908688 180062034 /nfs/dbraw/zinc/06/20/34/180062034.db2.gz IQZBUUCPXHRZFL-KFWWJZLASA-N 2 1 254.418 2.251 10 0 CEAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978334 180079091 /nfs/dbraw/zinc/07/90/91/180079091.db2.gz BVGGIQRSDIFBSX-SQWLQELKSA-N 2 1 256.393 2.256 10 0 CEAEMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019565 180088260 /nfs/dbraw/zinc/08/82/60/180088260.db2.gz LUSGRWHVZLGFQK-RISCZKNCSA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019565 180088262 /nfs/dbraw/zinc/08/82/62/180088262.db2.gz LUSGRWHVZLGFQK-RISCZKNCSA-N 2 1 258.369 2.265 10 0 CEAEMP C(C[N@H+]1CCC[C@H]1C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000091314037 180134024 /nfs/dbraw/zinc/13/40/24/180134024.db2.gz PDWAZYLSBCDYOA-CABCVRRESA-N 2 1 252.402 2.020 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091434606 180154631 /nfs/dbraw/zinc/15/46/31/180154631.db2.gz HVONQZNHHDEMDA-CQSZACIVSA-N 2 1 292.427 2.228 10 0 CEAEMP CC[C@@H](C)n1ccc(C[N@@H+](C)CC2CC([NH3+])C2)n1 ZINC000091472379 180165551 /nfs/dbraw/zinc/16/55/51/180165551.db2.gz ICJBMXJRFWRBAC-PNESKVBLSA-N 2 1 250.390 2.023 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)CC1CCOCC1 ZINC000091405183 180147478 /nfs/dbraw/zinc/14/74/78/180147478.db2.gz CYORYHDMXKIKMS-ZDUSSCGKSA-N 2 1 256.434 2.369 10 0 CEAEMP CCc1cc(C[C@@H]([NH3+])[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605400 180204240 /nfs/dbraw/zinc/20/42/40/180204240.db2.gz FJFDOCCNWRTKMI-HZPDHXFCSA-N 2 1 278.444 2.117 10 0 CEAEMP CCn1cc(C[C@H]([NH3+])[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605037 180204478 /nfs/dbraw/zinc/20/44/78/180204478.db2.gz CZDYLQNQVZCHMR-GJZGRUSLSA-N 2 1 264.417 2.037 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527978 180180044 /nfs/dbraw/zinc/18/00/44/180180044.db2.gz OSMXUNOFLGENOM-DOTOQJQBSA-N 2 1 279.472 2.467 10 0 CEAEMP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])C(C)(C)[NH+](C)C ZINC000091528474 180180335 /nfs/dbraw/zinc/18/03/35/180180335.db2.gz KVXXRKZUTXXTHW-LLVKDONJSA-N 2 1 272.824 2.075 10 0 CEAEMP CC[NH+](CC)C1([C@H](O)c2c[nH+]ccc2N)CCCC1 ZINC000091639028 180212464 /nfs/dbraw/zinc/21/24/64/180212464.db2.gz VJUVAWDRCAATRN-CQSZACIVSA-N 2 1 263.385 2.352 10 0 CEAEMP Cc1cc(C)cc(C[C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720829 180235610 /nfs/dbraw/zinc/23/56/10/180235610.db2.gz MDARXSNBLWEMRB-IKGGRYGDSA-N 2 1 274.408 2.036 10 0 CEAEMP [NH3+][C@H](Cc1ccc(Cl)s1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720494 180235737 /nfs/dbraw/zinc/23/57/37/180235737.db2.gz UNERCHWNKACLOX-JLLWLGSASA-N 2 1 286.828 2.135 10 0 CEAEMP [NH3+][C@H](Cc1ccc(Cl)s1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720494 180235739 /nfs/dbraw/zinc/23/57/39/180235739.db2.gz UNERCHWNKACLOX-JLLWLGSASA-N 2 1 286.828 2.135 10 0 CEAEMP CCCCC[C@H]([NH2+]CC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721738 180238761 /nfs/dbraw/zinc/23/87/61/180238761.db2.gz ASFMYIZFDJSNCU-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCCCC[C@H]([NH2+]CC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721738 180238763 /nfs/dbraw/zinc/23/87/63/180238763.db2.gz ASFMYIZFDJSNCU-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721821 180239939 /nfs/dbraw/zinc/23/99/39/180239939.db2.gz NADDXUHFDFQHNV-KURKYZTESA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721821 180239940 /nfs/dbraw/zinc/23/99/40/180239940.db2.gz NADDXUHFDFQHNV-KURKYZTESA-N 2 1 288.435 2.379 10 0 CEAEMP CCC[N@@H+](C[C@@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000091851704 180272835 /nfs/dbraw/zinc/27/28/35/180272835.db2.gz VCLXVIQOJCYGAL-NFOMZHRRSA-N 2 1 254.418 2.395 10 0 CEAEMP CCC[N@@H+](CC(=O)NCCC(C)C)C1CCC([NH3+])CC1 ZINC000091852462 180272973 /nfs/dbraw/zinc/27/29/73/180272973.db2.gz CUJZYPXTKAAIMH-UHFFFAOYSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[N@@H+]([C@H]1CCN(C2CC2)C1)C1CCC([NH3+])CC1 ZINC000091851660 180273242 /nfs/dbraw/zinc/27/32/42/180273242.db2.gz RMPQWPDYNQBLSO-BCLQGDPASA-N 2 1 265.445 2.205 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843791 180268964 /nfs/dbraw/zinc/26/89/64/180268964.db2.gz YVJCENNMQLSKIN-HWOWSKLDSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843791 180268967 /nfs/dbraw/zinc/26/89/67/180268967.db2.gz YVJCENNMQLSKIN-HWOWSKLDSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843791 180268970 /nfs/dbraw/zinc/26/89/70/180268970.db2.gz YVJCENNMQLSKIN-HWOWSKLDSA-N 3 1 267.461 2.451 10 0 CEAEMP C[N@@H+](C[C@@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091846641 180269873 /nfs/dbraw/zinc/26/98/73/180269873.db2.gz XGMHSKIRKGEARI-UYSNPLJNSA-N 2 1 262.397 2.096 10 0 CEAEMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091850805 180271800 /nfs/dbraw/zinc/27/18/00/180271800.db2.gz OLBGJQWELQKOJS-HWOWSKLDSA-N 2 1 295.471 2.369 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CC(=O)NC(C)(C)CC)CC1 ZINC000091870399 180277476 /nfs/dbraw/zinc/27/74/76/180277476.db2.gz MMCPCYPXRLBQTP-UHFFFAOYSA-N 2 1 283.460 2.144 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)N2CCCCCCC2)CC1 ZINC000091872856 180278200 /nfs/dbraw/zinc/27/82/00/180278200.db2.gz QEZDCRQOYXOUEY-UHFFFAOYSA-N 2 1 295.471 2.242 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2ccc(Cl)cc2[C@@H](C)[NH3+])C1 ZINC000092051234 180312792 /nfs/dbraw/zinc/31/27/92/180312792.db2.gz NVRYZSAIBLBKOQ-YPMHNXCESA-N 2 1 298.814 2.459 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2ccc(Cl)cc2[C@@H](C)[NH3+])C1 ZINC000092051234 180312793 /nfs/dbraw/zinc/31/27/93/180312793.db2.gz NVRYZSAIBLBKOQ-YPMHNXCESA-N 2 1 298.814 2.459 10 0 CEAEMP CC[NH2+]Cc1oc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000092003865 180304241 /nfs/dbraw/zinc/30/42/41/180304241.db2.gz GQRYYQBYQJCXPV-CABCVRRESA-N 2 1 291.439 2.366 10 0 CEAEMP C[NH2+]Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC000092003355 180304969 /nfs/dbraw/zinc/30/49/69/180304969.db2.gz LSPPBHWVYHBDPN-NEPJUHHUSA-N 2 1 294.830 2.127 10 0 CEAEMP C[C@@H]([NH3+])c1ccc(SC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092080062 180318629 /nfs/dbraw/zinc/31/86/29/180318629.db2.gz DDANUUBTIGBWFN-YPMHNXCESA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@@H]([NH3+])c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080062 180318631 /nfs/dbraw/zinc/31/86/31/180318631.db2.gz DDANUUBTIGBWFN-YPMHNXCESA-N 2 1 266.410 2.129 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319876 /nfs/dbraw/zinc/31/98/76/180319876.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319878 /nfs/dbraw/zinc/31/98/78/180319878.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319881 /nfs/dbraw/zinc/31/98/81/180319881.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319882 /nfs/dbraw/zinc/31/98/82/180319882.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319884 /nfs/dbraw/zinc/31/98/84/180319884.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)C[NH2+]C[C@@]1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCOC1 ZINC000092088663 180321822 /nfs/dbraw/zinc/32/18/22/180321822.db2.gz IKIFEKKNERKFMU-OWCLPIDISA-N 2 1 268.445 2.227 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CSc3ccccc32)C1 ZINC000092290513 180357655 /nfs/dbraw/zinc/35/76/55/180357655.db2.gz XDIDTKFTWVIZCB-CHWSQXEVSA-N 2 1 262.422 2.417 10 0 CEAEMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300584 180358611 /nfs/dbraw/zinc/35/86/11/180358611.db2.gz LNMFXYCNZVTKFQ-KBPBESRZSA-N 2 1 262.397 2.483 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000092328424 180362823 /nfs/dbraw/zinc/36/28/23/180362823.db2.gz LCEBSIPDPWGTGY-GWCFXTLKSA-N 2 1 251.374 2.426 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000092328424 180362825 /nfs/dbraw/zinc/36/28/25/180362825.db2.gz LCEBSIPDPWGTGY-GWCFXTLKSA-N 2 1 251.374 2.426 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccnc2ccccc12)C(N)=[NH2+] ZINC000092348144 180367513 /nfs/dbraw/zinc/36/75/13/180367513.db2.gz RRMFQPBPOOICFS-LLVKDONJSA-N 2 1 256.353 2.239 10 0 CEAEMP Cc1ccc(SCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573172 186179521 /nfs/dbraw/zinc/17/95/21/186179521.db2.gz CRXUTWMROXGYSX-OKILXGFUSA-N 2 1 262.422 2.238 10 0 CEAEMP CCC1(C[N@H+]2CC[C@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000110371225 186294609 /nfs/dbraw/zinc/29/46/09/186294609.db2.gz CYJYEBVMJZZZFY-INIZCTEOSA-N 2 1 279.472 2.326 10 0 CEAEMP C[C@H]1CCC[N@@H+](CCOc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000110805299 186326510 /nfs/dbraw/zinc/32/65/10/186326510.db2.gz FVGDFEWUXVMVMC-ZDUSSCGKSA-N 2 1 275.396 2.471 10 0 CEAEMP CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943045 186335790 /nfs/dbraw/zinc/33/57/90/186335790.db2.gz HYDSSKMKQVSFLL-OAHLLOKOSA-N 2 1 293.386 2.228 10 0 CEAEMP CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943045 186335792 /nfs/dbraw/zinc/33/57/92/186335792.db2.gz HYDSSKMKQVSFLL-OAHLLOKOSA-N 2 1 293.386 2.228 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH3+])c2ccc3ccccc3c2)CC[N@H+]1C ZINC000110708557 186314439 /nfs/dbraw/zinc/31/44/39/186314439.db2.gz XBKQJDPJESPAIL-KSSFIOAISA-N 2 1 283.419 2.476 10 0 CEAEMP CC[NH2+][C@@H](CN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110716871 186315681 /nfs/dbraw/zinc/31/56/81/186315681.db2.gz DBTWQDZYGXFPKY-INIZCTEOSA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+][C@H](CCC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716981 186316371 /nfs/dbraw/zinc/31/63/71/186316371.db2.gz KRRDBCNVXRLJJO-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1CN(C2(C[NH3+])CCCCCCC2)CC[N@H+]1C ZINC000110710824 186316416 /nfs/dbraw/zinc/31/64/16/186316416.db2.gz KHYAWJSDIKJCRK-OAHLLOKOSA-N 2 1 267.461 2.454 10 0 CEAEMP C[NH2+][C@@H](CCN1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000110744293 186318646 /nfs/dbraw/zinc/31/86/46/186318646.db2.gz CUIFTVPMUQJUIG-BBRMVZONSA-N 2 1 279.403 2.112 10 0 CEAEMP C[NH2+]CC1(CN2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000110747182 186320146 /nfs/dbraw/zinc/32/01/46/186320146.db2.gz BMWRBZGCCWUOCB-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]CC1(C[N@@H+]2CCN(C)C(C)(C)C2)CCCCC1 ZINC000110747182 186320148 /nfs/dbraw/zinc/32/01/48/186320148.db2.gz BMWRBZGCCWUOCB-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCN(C)C(C)(C)C2)CCCCC1 ZINC000110747182 186320150 /nfs/dbraw/zinc/32/01/50/186320150.db2.gz BMWRBZGCCWUOCB-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc(N2CC[N@@H+](C)[C@@H](CC)C2)s1 ZINC000110758680 186320555 /nfs/dbraw/zinc/32/05/55/186320555.db2.gz KOXRYHBMEFIOIU-NEPJUHHUSA-N 2 1 282.457 2.344 10 0 CEAEMP CC[C@@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@H+]1C ZINC000110753587 186321220 /nfs/dbraw/zinc/32/12/20/186321220.db2.gz CFYRIYSUBRVJBQ-CYBMUJFWSA-N 2 1 287.407 2.418 10 0 CEAEMP CC[C@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@H+]1C ZINC000110753820 186321384 /nfs/dbraw/zinc/32/13/84/186321384.db2.gz BSGKGFZWEAHTAL-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110753820 186321386 /nfs/dbraw/zinc/32/13/86/186321386.db2.gz BSGKGFZWEAHTAL-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110753820 186321388 /nfs/dbraw/zinc/32/13/88/186321388.db2.gz BSGKGFZWEAHTAL-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CCOCC[N@H+](CC)[C@H](C[NH3+])CCc1ccccc1 ZINC000111117649 186355745 /nfs/dbraw/zinc/35/57/45/186355745.db2.gz PFDWTTRXXWUOLD-INIZCTEOSA-N 2 1 264.413 2.305 10 0 CEAEMP CCOCC[N@@H+](CC)[C@H](C[NH3+])CCc1ccccc1 ZINC000111117649 186355746 /nfs/dbraw/zinc/35/57/46/186355746.db2.gz PFDWTTRXXWUOLD-INIZCTEOSA-N 2 1 264.413 2.305 10 0 CEAEMP C[N@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)CC1CCOCC1 ZINC000111155380 186360332 /nfs/dbraw/zinc/36/03/32/186360332.db2.gz WLIBTPAFOLHIIC-UHFFFAOYSA-N 2 1 288.395 2.046 10 0 CEAEMP C[N@@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)CC1CCOCC1 ZINC000111155380 186360333 /nfs/dbraw/zinc/36/03/33/186360333.db2.gz WLIBTPAFOLHIIC-UHFFFAOYSA-N 2 1 288.395 2.046 10 0 CEAEMP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](C)CC1CCOCC1 ZINC000111175837 186365440 /nfs/dbraw/zinc/36/54/40/186365440.db2.gz MHSFCVMANRJUED-HNNXBMFYSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)C2CCCCC2)CCCOC1 ZINC000111324310 186397047 /nfs/dbraw/zinc/39/70/47/186397047.db2.gz ABEWWWVGWIPUHI-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111320638 186397662 /nfs/dbraw/zinc/39/76/62/186397662.db2.gz VSCGDWMNUBTHMC-HZPDHXFCSA-N 2 1 262.397 2.181 10 0 CEAEMP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111320638 186397665 /nfs/dbraw/zinc/39/76/65/186397665.db2.gz VSCGDWMNUBTHMC-HZPDHXFCSA-N 2 1 262.397 2.181 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@H+]2CC[C@@H](C)C2)CCCOC1 ZINC000111326136 186398426 /nfs/dbraw/zinc/39/84/26/186398426.db2.gz UCJQDJJGKXUNMM-HUUCEWRRSA-N 2 1 254.418 2.123 10 0 CEAEMP CO[C@H]1C[N@H+](Cc2cc(C)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630358533 351711177 /nfs/dbraw/zinc/71/11/77/351711177.db2.gz BMYGDTDQNBNWER-HZPDHXFCSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@H]1C[N@@H+](Cc2cc(C)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630358533 351711181 /nfs/dbraw/zinc/71/11/81/351711181.db2.gz BMYGDTDQNBNWER-HZPDHXFCSA-N 2 1 262.397 2.242 10 0 CEAEMP NC1(CC[NH3+])C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000675058255 540078550 /nfs/dbraw/zinc/07/85/50/540078550.db2.gz XXUFMPZRQNBIBI-UHFFFAOYSA-N 2 1 281.403 2.138 10 0 CEAEMP CC[N@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064035 /nfs/dbraw/zinc/06/40/35/364064035.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064044 /nfs/dbraw/zinc/06/40/44/364064044.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064048 /nfs/dbraw/zinc/06/40/48/364064048.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 2 1 281.488 2.427 10 0 CEAEMP C[N@@H+](Cc1cnc(Cl)nc1Cl)CC1CC[NH2+]CC1 ZINC000095071333 364331490 /nfs/dbraw/zinc/33/14/90/364331490.db2.gz BDSCDHBBJIXJNN-UHFFFAOYSA-N 2 1 289.210 2.215 10 0 CEAEMP C[N@H+](Cc1cnc(Cl)nc1Cl)CC1CC[NH2+]CC1 ZINC000095071333 364331498 /nfs/dbraw/zinc/33/14/98/364331498.db2.gz BDSCDHBBJIXJNN-UHFFFAOYSA-N 2 1 289.210 2.215 10 0 CEAEMP CC[NH2+][C@@H](CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091392 364338140 /nfs/dbraw/zinc/33/81/40/364338140.db2.gz BEJKLPBYVVOBGV-SJORKVTESA-N 2 1 276.424 2.259 10 0 CEAEMP c1n[nH]cc1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680145309 541371729 /nfs/dbraw/zinc/37/17/29/541371729.db2.gz NUFJRHYRQLGBAE-KSZLIROESA-N 2 1 296.418 2.410 10 0 CEAEMP Nc1ccc(N[C@H]2CCC[N@H+](CC3CC3)CC2)c[nH+]1 ZINC000583623202 367074146 /nfs/dbraw/zinc/07/41/46/367074146.db2.gz UAYJYYIAGNCZMV-ZDUSSCGKSA-N 2 1 260.385 2.171 10 0 CEAEMP Nc1ccc(N[C@H]2CCC[N@@H+](CC3CC3)CC2)c[nH+]1 ZINC000583623202 367074151 /nfs/dbraw/zinc/07/41/51/367074151.db2.gz UAYJYYIAGNCZMV-ZDUSSCGKSA-N 2 1 260.385 2.171 10 0 CEAEMP 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 367110579 /nfs/dbraw/zinc/11/05/79/367110579.db2.gz HKTKXAQOZPEDQP-XUWVNRHRSA-N 2 1 297.487 2.199 10 0 CEAEMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631838520 367578275 /nfs/dbraw/zinc/57/82/75/367578275.db2.gz PTIOMTIZLHDJPX-NWDGAFQWSA-N 2 1 295.814 2.195 10 0 CEAEMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000173345918 367899564 /nfs/dbraw/zinc/89/95/64/367899564.db2.gz LHSNXENLMPHNQO-ZBFHGGJFSA-N 2 1 262.397 2.184 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246541729 370975105 /nfs/dbraw/zinc/97/51/05/370975105.db2.gz SJWCYIMAOIUFED-OWCLPIDISA-N 2 1 295.471 2.132 10 0 CEAEMP C[C@]1(C[NH3+])CCN(c2cc[nH+]cc2Br)C1 ZINC000235710349 370575922 /nfs/dbraw/zinc/57/59/22/370575922.db2.gz GMNSFADXHPGWLD-LLVKDONJSA-N 2 1 270.174 2.019 10 0 CEAEMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000248730167 371239619 /nfs/dbraw/zinc/23/96/19/371239619.db2.gz MLMVWFSMCTVGJE-CABCVRRESA-N 2 1 299.418 2.435 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]12 ZINC000261601252 371672983 /nfs/dbraw/zinc/67/29/83/371672983.db2.gz BSCSHSJNURZPPY-BHYGNILZSA-N 2 1 282.391 2.041 10 0 CEAEMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000261607355 371675087 /nfs/dbraw/zinc/67/50/87/371675087.db2.gz DCKGPSZENLFASX-QEJZJMRPSA-N 2 1 290.407 2.181 10 0 CEAEMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261842672 371747667 /nfs/dbraw/zinc/74/76/67/371747667.db2.gz SCZNAPFHKALRDE-HOCLYGCPSA-N 2 1 282.428 2.184 10 0 CEAEMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261842672 371747676 /nfs/dbraw/zinc/74/76/76/371747676.db2.gz SCZNAPFHKALRDE-HOCLYGCPSA-N 2 1 282.428 2.184 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]12 ZINC000261848819 371749262 /nfs/dbraw/zinc/74/92/62/371749262.db2.gz WKDPROQFHHPRIO-ZLKJLUDKSA-N 2 1 290.798 2.157 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]12 ZINC000261848819 371749267 /nfs/dbraw/zinc/74/92/67/371749267.db2.gz WKDPROQFHHPRIO-ZLKJLUDKSA-N 2 1 290.798 2.157 10 0 CEAEMP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261845308 371749389 /nfs/dbraw/zinc/74/93/89/371749389.db2.gz ASSHNRUKXVVHHJ-OIISXLGYSA-N 2 1 292.398 2.115 10 0 CEAEMP [NH3+][C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000093205202 184654983 /nfs/dbraw/zinc/65/49/83/184654983.db2.gz UFSVRJSMZZLXNI-RDJZCZTQSA-N 2 1 273.424 2.120 10 0 CEAEMP C[N@@H+](CC1CC([NH3+])C1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094413544 184794664 /nfs/dbraw/zinc/79/46/64/184794664.db2.gz IBNPMRZXCHWGLL-JXQTWKCFSA-N 2 1 284.469 2.100 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000086817590 135048537 /nfs/dbraw/zinc/04/85/37/135048537.db2.gz YSVIIPHZROGNQM-OAHLLOKOSA-N 2 1 288.439 2.124 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H]3C)CC2)c1C ZINC000092957717 135077639 /nfs/dbraw/zinc/07/76/39/135077639.db2.gz TYMHCPRIEAWBAK-IAGOWNOFSA-N 2 1 287.451 2.423 10 0 CEAEMP FC(F)(F)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262043121 394612331 /nfs/dbraw/zinc/61/23/31/394612331.db2.gz YQEWIFZMLJTUCV-WDEREUQCSA-N 2 1 250.308 2.260 10 0 CEAEMP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262017574 394612442 /nfs/dbraw/zinc/61/24/42/394612442.db2.gz WFCDFFZAPUCFKW-GVDBMIGSSA-N 2 1 292.398 2.115 10 0 CEAEMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH2+]C)cc1)C(C)C ZINC000261838091 153851992 /nfs/dbraw/zinc/85/19/92/153851992.db2.gz WAWUYCBPBMNXIW-CQSZACIVSA-N 2 1 291.439 2.255 10 0 CEAEMP C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178976930 165267418 /nfs/dbraw/zinc/26/74/18/165267418.db2.gz UPWUWRHFEGNYCQ-RBZFPXEDSA-N 2 1 294.464 2.416 10 0 CEAEMP CCCCCNC(=O)[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365715 171164176 /nfs/dbraw/zinc/16/41/76/171164176.db2.gz WMCYTUACJBTOKG-AWEZNQCLSA-N 2 1 271.449 2.003 10 0 CEAEMP CCC(CC)NC(=O)[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365730 171164305 /nfs/dbraw/zinc/16/43/05/171164305.db2.gz JPJCIIVKOQQQPX-ZDUSSCGKSA-N 2 1 271.449 2.001 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037321295 173121689 /nfs/dbraw/zinc/12/16/89/173121689.db2.gz BPZAUSMCWRWQQH-JKSUJKDBSA-N 2 1 266.429 2.310 10 0 CEAEMP CC[N@@H+](CCOc1cccc(C)c1)C1CC[NH2+]CC1 ZINC000037538499 173259002 /nfs/dbraw/zinc/25/90/02/173259002.db2.gz QOQYOLNTPLNZIR-UHFFFAOYSA-N 2 1 262.397 2.448 10 0 CEAEMP Cc1cc(C)c(C[NH3+])c(OCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000040509812 174304183 /nfs/dbraw/zinc/30/41/83/174304183.db2.gz DPIVPUTXYAVXMA-ZDUSSCGKSA-N 2 1 263.385 2.020 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000040592924 174347756 /nfs/dbraw/zinc/34/77/56/174347756.db2.gz SGQMKZFVKNFQOA-QWHCGFSZSA-N 2 1 276.380 2.408 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000040592924 174347758 /nfs/dbraw/zinc/34/77/58/174347758.db2.gz SGQMKZFVKNFQOA-QWHCGFSZSA-N 2 1 276.380 2.408 10 0 CEAEMP C[C@H]1CCC[C@](C[NH2+][C@@H]2CN3CCC2CC3)([NH+](C)C)C1 ZINC000040668655 174367752 /nfs/dbraw/zinc/36/77/52/174367752.db2.gz FFAJFPSYCMKZQP-UAGQMJEPSA-N 2 1 279.472 2.181 10 0 CEAEMP FC(F)(F)CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326961 175008842 /nfs/dbraw/zinc/00/88/42/175008842.db2.gz PDPFFFYNZBEROV-TUAOUCFPSA-N 2 1 280.334 2.218 10 0 CEAEMP CCC[C@H]([NH2+]CC)[C@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818425 175112954 /nfs/dbraw/zinc/11/29/54/175112954.db2.gz RWVSFYITABCJKN-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)C1CCCCCC1 ZINC000043899748 175121863 /nfs/dbraw/zinc/12/18/63/175121863.db2.gz QGOLJXRYJBQEPJ-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899748 175121865 /nfs/dbraw/zinc/12/18/65/175121865.db2.gz QGOLJXRYJBQEPJ-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)C1CCCCCC1 ZINC000043899751 175122094 /nfs/dbraw/zinc/12/20/94/175122094.db2.gz QGOLJXRYJBQEPJ-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899751 175122095 /nfs/dbraw/zinc/12/20/95/175122095.db2.gz QGOLJXRYJBQEPJ-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966878 175128086 /nfs/dbraw/zinc/12/80/86/175128086.db2.gz UXDLSLZEOABBGR-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966878 175128087 /nfs/dbraw/zinc/12/80/87/175128087.db2.gz UXDLSLZEOABBGR-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970783 175131847 /nfs/dbraw/zinc/13/18/47/175131847.db2.gz FSPDNYNUPAMVJV-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP C[C@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000045068459 175300349 /nfs/dbraw/zinc/30/03/49/175300349.db2.gz JSCMFFNIURGUBH-GFCCVEGCSA-N 2 1 277.412 2.450 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]CCC[NH+](C)C)c1C ZINC000045167687 175319224 /nfs/dbraw/zinc/31/92/24/175319224.db2.gz XLDRCJVDEHMOSO-NSHDSACASA-N 2 1 252.406 2.122 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH3+])C(=O)OC)C1CCCCC1 ZINC000045372388 175364696 /nfs/dbraw/zinc/36/46/96/175364696.db2.gz CXURPXDDXVZIPJ-OAHLLOKOSA-N 2 1 270.417 2.312 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383843 175370766 /nfs/dbraw/zinc/37/07/66/175370766.db2.gz RKBJOTDBUBGWBX-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383843 175370768 /nfs/dbraw/zinc/37/07/68/175370768.db2.gz RKBJOTDBUBGWBX-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)C(C)C)C(N)=O ZINC000045383695 175371089 /nfs/dbraw/zinc/37/10/89/175371089.db2.gz SMHNIHYKXHUYFM-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382392 175371582 /nfs/dbraw/zinc/37/15/82/175371582.db2.gz YDBVKASDNKNDHE-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382392 175371584 /nfs/dbraw/zinc/37/15/84/175371584.db2.gz YDBVKASDNKNDHE-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045387086 175372587 /nfs/dbraw/zinc/37/25/87/175372587.db2.gz KBWQPTIYNTWIPB-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045387086 175372588 /nfs/dbraw/zinc/37/25/88/175372588.db2.gz KBWQPTIYNTWIPB-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390660 175374648 /nfs/dbraw/zinc/37/46/48/175374648.db2.gz BZBYWEDNNUHFJL-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@H](Cc1ccncc1)Cc1cc[nH+]c(N)c1 ZINC000070403352 175911870 /nfs/dbraw/zinc/91/18/70/175911870.db2.gz SOJDMRAPQYZDKC-OAHLLOKOSA-N 2 1 270.380 2.212 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCCCc2ccccc21 ZINC000071148512 176044156 /nfs/dbraw/zinc/04/41/56/176044156.db2.gz VREZZTGXKPUFJZ-SFHVURJKSA-N 2 1 287.451 2.291 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000071187922 176061252 /nfs/dbraw/zinc/06/12/52/176061252.db2.gz AVRHNXJTGVMNMB-QWRGUYRKSA-N 2 1 287.860 2.285 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000071187940 176062052 /nfs/dbraw/zinc/06/20/52/176062052.db2.gz DURMEROFAILKOS-WFASDCNBSA-N 2 1 281.831 2.223 10 0 CEAEMP Cc1cc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000071188326 176062929 /nfs/dbraw/zinc/06/29/29/176062929.db2.gz MATVTRDVYFBDEZ-UKRRQHHQSA-N 2 1 281.469 2.248 10 0 CEAEMP CCC[C@@H]([NH2+]C)[C@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188871 176063280 /nfs/dbraw/zinc/06/32/80/176063280.db2.gz PXVQIFMVLGKBSH-KFWWJZLASA-N 2 1 255.450 2.037 10 0 CEAEMP Cc1ccc(C)c([C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071190680 176068464 /nfs/dbraw/zinc/06/84/64/176068464.db2.gz SHSXWRGXQXKVFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc(C)c([C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071190680 176068465 /nfs/dbraw/zinc/06/84/65/176068465.db2.gz SHSXWRGXQXKVFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc(C)c([C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071190680 176068468 /nfs/dbraw/zinc/06/84/68/176068468.db2.gz SHSXWRGXQXKVFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc(C)c([C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071190680 176068469 /nfs/dbraw/zinc/06/84/69/176068469.db2.gz SHSXWRGXQXKVFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP CCC(CC)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191444 176069247 /nfs/dbraw/zinc/06/92/47/176069247.db2.gz KTUVWURFDOGBNH-OAHLLOKOSA-N 2 1 281.488 2.428 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CCN(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071191411 176070246 /nfs/dbraw/zinc/07/02/46/176070246.db2.gz VDEUPUQLDSMKKK-WBVHZDCISA-N 2 1 275.440 2.268 10 0 CEAEMP CC(C)C[NH2+]Cc1ccnc(N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191726 176072691 /nfs/dbraw/zinc/07/26/91/176072691.db2.gz GUVPYZMYAUSWCC-MRXNPFEDSA-N 2 1 290.455 2.215 10 0 CEAEMP CC(C)C[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191965 176072768 /nfs/dbraw/zinc/07/27/68/176072768.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 2 1 293.455 2.409 10 0 CEAEMP CCC[NH2+]Cc1nc(CN(C)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC000071192013 176072782 /nfs/dbraw/zinc/07/27/82/176072782.db2.gz JQXBTXHAGYLAGG-ZDUSSCGKSA-N 2 1 296.484 2.026 10 0 CEAEMP C[C@H](C[NH2+]C1CCCCC1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192195 176073203 /nfs/dbraw/zinc/07/32/03/176073203.db2.gz CBTAYQFOUPZXJM-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000071192594 176074733 /nfs/dbraw/zinc/07/47/33/176074733.db2.gz PFGUZSUEAURECF-NSHDSACASA-N 2 1 296.484 2.287 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCCN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071198144 176077316 /nfs/dbraw/zinc/07/73/16/176077316.db2.gz DAMUJNZFZZQYCL-RDJZCZTQSA-N 2 1 279.472 2.467 10 0 CEAEMP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000071200517 176077470 /nfs/dbraw/zinc/07/74/70/176077470.db2.gz QMHHHWSOJAVZRQ-JKSUJKDBSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])C[C@@H]1CCCO1 ZINC000071267801 176100942 /nfs/dbraw/zinc/10/09/42/176100942.db2.gz ITNRMXRRKZCDPP-ZDUSSCGKSA-N 2 1 279.359 2.111 10 0 CEAEMP CC[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])C[C@@H]1CCCO1 ZINC000071267801 176100944 /nfs/dbraw/zinc/10/09/44/176100944.db2.gz ITNRMXRRKZCDPP-ZDUSSCGKSA-N 2 1 279.359 2.111 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267892 176101857 /nfs/dbraw/zinc/10/18/57/176101857.db2.gz OOPWVGMDMLJULN-LLVKDONJSA-N 2 1 281.375 2.357 10 0 CEAEMP CCN1CCC([N@@H+](C)CCCCCC[NH2+]C)CC1 ZINC000071289349 176110738 /nfs/dbraw/zinc/11/07/38/176110738.db2.gz VSKRYBYRMWEMQF-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)CCCCCC[NH2+]C)CC1 ZINC000071289349 176110740 /nfs/dbraw/zinc/11/07/40/176110740.db2.gz VSKRYBYRMWEMQF-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)CCCCCC[NH2+]C)CC1 ZINC000071289349 176110742 /nfs/dbraw/zinc/11/07/42/176110742.db2.gz VSKRYBYRMWEMQF-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071290058 176110771 /nfs/dbraw/zinc/11/07/71/176110771.db2.gz CTECDLGAXAIACL-INIZCTEOSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071290058 176110772 /nfs/dbraw/zinc/11/07/72/176110772.db2.gz CTECDLGAXAIACL-INIZCTEOSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071290058 176110773 /nfs/dbraw/zinc/11/07/73/176110773.db2.gz CTECDLGAXAIACL-INIZCTEOSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071290058 176110774 /nfs/dbraw/zinc/11/07/74/176110774.db2.gz CTECDLGAXAIACL-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071290058 176110775 /nfs/dbraw/zinc/11/07/75/176110775.db2.gz CTECDLGAXAIACL-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CCN([C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071312262 176118864 /nfs/dbraw/zinc/11/88/64/176118864.db2.gz YLPRLJVWQLQDST-ZWKOTPCHSA-N 2 1 287.451 2.335 10 0 CEAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261981243 287491685 /nfs/dbraw/zinc/49/16/85/287491685.db2.gz RQCZQRRPMCQUSG-YIDVYQOGSA-N 2 1 266.429 2.312 10 0 CEAEMP CC(C)(C)SCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261871871 277223116 /nfs/dbraw/zinc/22/31/16/277223116.db2.gz DGFMWWXGTDACKB-BFHYXJOUSA-N 2 1 286.485 2.265 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251431697 279133875 /nfs/dbraw/zinc/13/38/75/279133875.db2.gz SCRXJASFXNLERZ-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251431697 279133877 /nfs/dbraw/zinc/13/38/77/279133877.db2.gz SCRXJASFXNLERZ-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251431697 279133878 /nfs/dbraw/zinc/13/38/78/279133878.db2.gz SCRXJASFXNLERZ-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[N@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302660 /nfs/dbraw/zinc/30/26/60/280302660.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 3 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302666 /nfs/dbraw/zinc/30/26/66/280302666.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249393712 280395488 /nfs/dbraw/zinc/39/54/88/280395488.db2.gz RIYMBXMIWBPCFY-DZKIICNBSA-N 2 1 268.445 2.390 10 0 CEAEMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730170 281169702 /nfs/dbraw/zinc/16/97/02/281169702.db2.gz MLMVWFSMCTVGJE-GJZGRUSLSA-N 2 1 299.418 2.435 10 0 CEAEMP CC(C)C[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181367 519709106 /nfs/dbraw/zinc/70/91/06/519709106.db2.gz OGHVZXMGTPMNBH-UHFFFAOYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)[NH2+]CCCCCN1CC[NH+](C(C)C)CC1 ZINC000052480104 519720723 /nfs/dbraw/zinc/72/07/23/519720723.db2.gz KJEMNAARGLTAGF-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]CCCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573186 519919060 /nfs/dbraw/zinc/91/90/60/519919060.db2.gz MALKNGYGFGQCNT-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@H+]1CC[C@H](O)C1 ZINC000061712051 520210005 /nfs/dbraw/zinc/21/00/05/520210005.db2.gz LAOSFXSHRZEWPN-BPUTZDHNSA-N 2 1 262.397 2.040 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000069429287 521301504 /nfs/dbraw/zinc/30/15/04/521301504.db2.gz WZGBKAARLJUYBF-UHFFFAOYSA-N 2 1 263.385 2.204 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197697 521969179 /nfs/dbraw/zinc/96/91/79/521969179.db2.gz VXCRNPCURSVQTQ-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]Cc1ccccc1OCCn1c[nH+]c(C)c1C ZINC000052593535 522138371 /nfs/dbraw/zinc/13/83/71/522138371.db2.gz HHKSFWACKGVDGQ-UHFFFAOYSA-N 2 1 259.353 2.298 10 0 CEAEMP C(C[C@H]1CCC[NH2+]1)C[NH+]1CCN(C2CCCC2)CC1 ZINC000052764755 518395669 /nfs/dbraw/zinc/39/56/69/518395669.db2.gz YOUQSDZPVBBJDI-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP C1C[NH2+][C@H]([C@H]2CCC[N@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590658 518580535 /nfs/dbraw/zinc/58/05/35/518580535.db2.gz KVAOPPYOWDZIGK-MJBXVCDLSA-N 2 1 254.443 2.346 10 0 CEAEMP CC(C)(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763381 519266840 /nfs/dbraw/zinc/26/68/40/519266840.db2.gz IGCBOXUHYHMDPI-CQSZACIVSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)C[N@@H+](CCC[C@@H]1CCCC[NH2+]1)CCN(C)C ZINC000050953841 519715095 /nfs/dbraw/zinc/71/50/95/519715095.db2.gz MOQQBZUPGRTPJS-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)CCc2ccncc2)O1 ZINC000052483153 519725680 /nfs/dbraw/zinc/72/56/80/519725680.db2.gz BMFHVEZWPGTORS-IAGOWNOFSA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)C1CCN(C)CC1 ZINC000052419816 519728011 /nfs/dbraw/zinc/72/80/11/519728011.db2.gz UCKWIXPCUNOAQM-UHFFFAOYSA-N 2 1 279.428 2.304 10 0 CEAEMP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)C1CCN(C)CC1 ZINC000052419816 519728014 /nfs/dbraw/zinc/72/80/14/519728014.db2.gz UCKWIXPCUNOAQM-UHFFFAOYSA-N 2 1 279.428 2.304 10 0 CEAEMP CC(C)CN1CC[NH+]([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055082928 519728160 /nfs/dbraw/zinc/72/81/60/519728160.db2.gz MZSALWYVDZAQCP-MRXNPFEDSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182184 519911297 /nfs/dbraw/zinc/91/12/97/519911297.db2.gz UZMIAGBZGNGTMJ-AWEZNQCLSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CCC)CCN(C)C ZINC000052544234 519913164 /nfs/dbraw/zinc/91/31/64/519913164.db2.gz MZRDXRNBHDFQPB-HNNXBMFYSA-N 2 1 257.466 2.428 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@H](C)CC)on1 ZINC000052547324 519943882 /nfs/dbraw/zinc/94/38/82/519943882.db2.gz WSCVNMRJRYFBNE-CYBMUJFWSA-N 2 1 283.416 2.421 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420849 519956182 /nfs/dbraw/zinc/95/61/82/519956182.db2.gz NUOZOWKPEFXAQE-LJISPDSOSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+]1CCOC[C@H]1C ZINC000052475891 519956439 /nfs/dbraw/zinc/95/64/39/519956439.db2.gz BXNAIENQGGASCA-OAHLLOKOSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@H+]1CCOC[C@H]1C ZINC000052475891 519956445 /nfs/dbraw/zinc/95/64/45/519956445.db2.gz BXNAIENQGGASCA-OAHLLOKOSA-N 2 1 292.423 2.286 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CCOC)[C@@H](C)COC ZINC000052572449 520006167 /nfs/dbraw/zinc/00/61/67/520006167.db2.gz ZNPMMXQMRJEMFJ-HNNXBMFYSA-N 2 1 294.439 2.279 10 0 CEAEMP CC[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000052381046 520020222 /nfs/dbraw/zinc/02/02/22/520020222.db2.gz ZLPOTYFOUMQKKS-LLVKDONJSA-N 2 1 253.415 2.485 10 0 CEAEMP CC[NH2+]Cc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000052381046 520020228 /nfs/dbraw/zinc/02/02/28/520020228.db2.gz ZLPOTYFOUMQKKS-LLVKDONJSA-N 2 1 253.415 2.485 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632882 520040515 /nfs/dbraw/zinc/04/05/15/520040515.db2.gz TVKIBCLOWNEVTK-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632882 520040520 /nfs/dbraw/zinc/04/05/20/520040520.db2.gz TVKIBCLOWNEVTK-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H](CC)CC1)C(N)=O ZINC000068648029 520145331 /nfs/dbraw/zinc/14/53/31/520145331.db2.gz NDOGBYINJMFWQO-LZWOXQAQSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCC[C@@H](CC)CC1)C(N)=O ZINC000068648029 520145337 /nfs/dbraw/zinc/14/53/37/520145337.db2.gz NDOGBYINJMFWQO-LZWOXQAQSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239524 520226903 /nfs/dbraw/zinc/22/69/03/520226903.db2.gz FWGYONABCSHQQV-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)CC1CC1)C(=O)OCC ZINC000069239524 520226913 /nfs/dbraw/zinc/22/69/13/520226913.db2.gz FWGYONABCSHQQV-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP CCCO[C@H]1CCC[N@@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764495 520285583 /nfs/dbraw/zinc/28/55/83/520285583.db2.gz JVRGWNIOLZVUQN-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)C[NH2+]CC)CC1 ZINC000061266045 520400150 /nfs/dbraw/zinc/40/01/50/520400150.db2.gz RYLKDFODONEJMB-OAHLLOKOSA-N 2 1 297.487 2.203 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)[C@H](C)COC ZINC000052504852 521290918 /nfs/dbraw/zinc/29/09/18/521290918.db2.gz WQFDDCYSBXHTBQ-GFCCVEGCSA-N 2 1 283.416 2.420 10 0 CEAEMP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049553835 521585196 /nfs/dbraw/zinc/58/51/96/521585196.db2.gz YZZAHSGWWSZPAN-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@@H+](CCN(C)C)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000053859196 521656520 /nfs/dbraw/zinc/65/65/20/521656520.db2.gz QQOUDPCAQNSGGW-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[N@H+](CCN(C)C)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000053859196 521656517 /nfs/dbraw/zinc/65/65/17/521656517.db2.gz QQOUDPCAQNSGGW-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)C[C@@H]1C ZINC000069182922 521701093 /nfs/dbraw/zinc/70/10/93/521701093.db2.gz OCNAVFWJDQMVRV-JTQLQIEISA-N 2 1 280.441 2.010 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[NH2+]C[C@@H]2C2CC2)c1C ZINC000068697751 521812834 /nfs/dbraw/zinc/81/28/34/521812834.db2.gz RVOKKQVZWBLTSU-MLGOLLRUSA-N 2 1 289.423 2.279 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180958 521967293 /nfs/dbraw/zinc/96/72/93/521967293.db2.gz XIZZRYNZFLRYMP-UHFFFAOYSA-N 2 1 262.397 2.135 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCC(C)CC2)O1 ZINC000052345449 522093274 /nfs/dbraw/zinc/09/32/74/522093274.db2.gz FCZUBNDSZNNLGN-CVSAEHQPSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424731 522094066 /nfs/dbraw/zinc/09/40/66/522094066.db2.gz JLABSJFEFNPURD-CVEARBPZSA-N 2 1 262.397 2.194 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCOC[C@@H]1C ZINC000052475837 522161418 /nfs/dbraw/zinc/16/14/18/522161418.db2.gz YQFXZPGBARHREJ-LBPRGKRZSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCOC[C@@H]1C ZINC000052475837 522161425 /nfs/dbraw/zinc/16/14/25/522161425.db2.gz YQFXZPGBARHREJ-LBPRGKRZSA-N 2 1 274.364 2.373 10 0 CEAEMP CC[C@@H](CC[NH3+])[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000050872138 522497033 /nfs/dbraw/zinc/49/70/33/522497033.db2.gz MDSPMJQYTPMYDC-HNNXBMFYSA-N 2 1 297.393 2.210 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052541071 523055763 /nfs/dbraw/zinc/05/57/63/523055763.db2.gz VWYBQNJDYFKQLU-KKUMJFAQSA-N 2 1 284.444 2.033 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570958 523351105 /nfs/dbraw/zinc/35/11/05/523351105.db2.gz WEAPWMZFXXWEQD-MFKMUULPSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570958 523351109 /nfs/dbraw/zinc/35/11/09/523351109.db2.gz WEAPWMZFXXWEQD-MFKMUULPSA-N 2 1 252.358 2.046 10 0 CEAEMP CCn1cc[nH+]c1N(CCC[NH3+])C1CCCCC1 ZINC000050607906 523548058 /nfs/dbraw/zinc/54/80/58/523548058.db2.gz HZVLZGOFNVFOKV-UHFFFAOYSA-N 2 1 250.390 2.391 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052572997 523619869 /nfs/dbraw/zinc/61/98/69/523619869.db2.gz NPSPPRDNBNBLHW-UHFFFAOYSA-N 2 1 268.401 2.412 10 0 CEAEMP COCC[N@@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@H](C)COC ZINC000052572393 523740574 /nfs/dbraw/zinc/74/05/74/523740574.db2.gz HHDLVKOTYONLGC-CQSZACIVSA-N 2 1 298.427 2.261 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000055083478 523952595 /nfs/dbraw/zinc/95/25/95/523952595.db2.gz GKQVBHPQHPUQQT-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP COc1ccc(C[N@@H+](C)CC2(C[NH3+])CCOCC2)cc1F ZINC000052180401 524002515 /nfs/dbraw/zinc/00/25/15/524002515.db2.gz HEMSBPOTMFQYSR-UHFFFAOYSA-N 2 1 296.386 2.022 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563660 524218027 /nfs/dbraw/zinc/21/80/27/524218027.db2.gz NZZGONWQZPDYPQ-CHWSQXEVSA-N 2 1 275.396 2.204 10 0 CEAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182637 524299965 /nfs/dbraw/zinc/29/99/65/524299965.db2.gz JPQVVSWRCYRLJK-ZIAGYGMSSA-N 2 1 254.418 2.252 10 0 CEAEMP C[C@@H]1CCC[C@@](CNc2cc[nH+]c(N(C)C)n2)([NH+](C)C)C1 ZINC000068690095 524338401 /nfs/dbraw/zinc/33/84/01/524338401.db2.gz NIPPFBJYJXUENC-CZUORRHYSA-N 2 1 291.443 2.465 10 0 CEAEMP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[NH+]1CCCCCCC1 ZINC000068617417 524863336 /nfs/dbraw/zinc/86/33/36/524863336.db2.gz JFONVAIXRIMPIC-BBRMVZONSA-N 2 1 281.444 2.027 10 0 CEAEMP Cc1csc2nc(C)c(C[NH2+][C@H](C)CC[NH+](C)C)n12 ZINC000049554052 526452604 /nfs/dbraw/zinc/45/26/04/526452604.db2.gz BHSRANAOPYCERJ-SNVBAGLBSA-N 2 1 280.441 2.442 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543528 526771250 /nfs/dbraw/zinc/77/12/50/526771250.db2.gz LSGDGPHNNRJBLV-SNVBAGLBSA-N 2 1 252.358 2.046 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543528 526771256 /nfs/dbraw/zinc/77/12/56/526771256.db2.gz LSGDGPHNNRJBLV-SNVBAGLBSA-N 2 1 252.358 2.046 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+](Cc2ccco2)C2CC2)ccn1 ZINC000068750274 527246706 /nfs/dbraw/zinc/24/67/06/527246706.db2.gz LLQFYGYZJNMNTP-UHFFFAOYSA-N 2 1 257.337 2.298 10 0 CEAEMP [NH3+]Cc1cc(C[N@@H+](Cc2ccco2)C2CC2)ccn1 ZINC000068750274 527246712 /nfs/dbraw/zinc/24/67/12/527246712.db2.gz LLQFYGYZJNMNTP-UHFFFAOYSA-N 2 1 257.337 2.298 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000068702797 527427093 /nfs/dbraw/zinc/42/70/93/527427093.db2.gz MLHRQIZVAFTHEB-HZPDHXFCSA-N 2 1 278.444 2.146 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000037644274 361915462 /nfs/dbraw/zinc/91/54/62/361915462.db2.gz YRSCMRMAAXCVQK-AWEZNQCLSA-N 2 1 262.397 2.440 10 0 CEAEMP c1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000124001203 539179643 /nfs/dbraw/zinc/17/96/43/539179643.db2.gz TYGNCEGFCRBGOZ-QGZVFWFLSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000124001203 539179644 /nfs/dbraw/zinc/17/96/44/539179644.db2.gz TYGNCEGFCRBGOZ-QGZVFWFLSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc(C[N@H+]2CCN3CCCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000124001203 539179645 /nfs/dbraw/zinc/17/96/45/539179645.db2.gz TYGNCEGFCRBGOZ-QGZVFWFLSA-N 2 1 285.435 2.002 10 0 CEAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262803 539211678 /nfs/dbraw/zinc/21/16/78/539211678.db2.gz RZDHXEUOPAANJN-RYUDHWBXSA-N 2 1 258.287 2.500 10 0 CEAEMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)[C@@H]1C ZINC000725264160 539212508 /nfs/dbraw/zinc/21/25/08/539212508.db2.gz DVYKWJNVEOSJPA-AAVRWANBSA-N 2 1 252.402 2.003 10 0 CEAEMP CCC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000126338057 365706692 /nfs/dbraw/zinc/70/66/92/365706692.db2.gz GWJVXKCXUGMXKC-OWCLPIDISA-N 2 1 295.471 2.190 10 0 CEAEMP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655397 344758229 /nfs/dbraw/zinc/75/82/29/344758229.db2.gz YIGHGHJZSGATEC-ZDUSSCGKSA-N 2 1 274.368 2.182 10 0 CEAEMP Cc1noc(C)c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655397 344758230 /nfs/dbraw/zinc/75/82/30/344758230.db2.gz YIGHGHJZSGATEC-ZDUSSCGKSA-N 2 1 274.368 2.182 10 0 CEAEMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328625698 344756629 /nfs/dbraw/zinc/75/66/29/344756629.db2.gz DKXNAGJSUHGHBZ-LBPRGKRZSA-N 2 1 276.409 2.342 10 0 CEAEMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328625698 344756631 /nfs/dbraw/zinc/75/66/31/344756631.db2.gz DKXNAGJSUHGHBZ-LBPRGKRZSA-N 2 1 276.409 2.342 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@H]12 ZINC000381839661 344825105 /nfs/dbraw/zinc/82/51/05/344825105.db2.gz JSQVPIKDTDGGRV-UHOFOFEASA-N 2 1 267.376 2.404 10 0 CEAEMP C[C@H]1CCC[C@H](C)[NH+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085304277 179010873 /nfs/dbraw/zinc/01/08/73/179010873.db2.gz IKJCMQZWIZKTMS-DZKIICNBSA-N 2 1 262.397 2.096 10 0 CEAEMP CC(C)N(C)C(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403743 179052871 /nfs/dbraw/zinc/05/28/71/179052871.db2.gz ASLQGSRYHZMELY-MRXNPFEDSA-N 2 1 295.471 2.097 10 0 CEAEMP CC[N@H+]1CCC[C@@H](n2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572796 179098350 /nfs/dbraw/zinc/09/83/50/179098350.db2.gz GZCBLEIYUUTNSS-CYBMUJFWSA-N 2 1 274.412 2.063 10 0 CEAEMP CC[N@H+]1CCC[C@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572790 179098727 /nfs/dbraw/zinc/09/87/27/179098727.db2.gz SCRMBBQXFNQEJD-ZDUSSCGKSA-N 2 1 290.455 2.483 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085618876 179103576 /nfs/dbraw/zinc/10/35/76/179103576.db2.gz APFZFYCHXYRLII-NXHRZFHOSA-N 2 1 288.435 2.461 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000085622334 179106117 /nfs/dbraw/zinc/10/61/17/179106117.db2.gz XWEUQNAETMKDHU-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000085622334 179106119 /nfs/dbraw/zinc/10/61/19/179106119.db2.gz XWEUQNAETMKDHU-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623747 179107487 /nfs/dbraw/zinc/10/74/87/179107487.db2.gz ULGMVSAUZLESPU-CWRNSKLLSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086171814 179242882 /nfs/dbraw/zinc/24/28/82/179242882.db2.gz RYZZYLFADAFVNL-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C(C)C)CN1 ZINC000086173674 179244305 /nfs/dbraw/zinc/24/43/05/179244305.db2.gz PXNABJGOBWOLQW-IAGOWNOFSA-N 2 1 281.488 2.283 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259362 179258186 /nfs/dbraw/zinc/25/81/86/179258186.db2.gz FQCVELWVUCJEQU-SOUVJXGZSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086261204 179259835 /nfs/dbraw/zinc/25/98/35/179259835.db2.gz IWXMZPUIWJBWCI-GOEBONIOSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[N@H+](C)CCCC[NH+]1C[C@H](C2CC2)NC[C@@H]1C ZINC000086261204 179259836 /nfs/dbraw/zinc/25/98/36/179259836.db2.gz IWXMZPUIWJBWCI-GOEBONIOSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1C[C@H](C2CC2)NC[C@@H]1C ZINC000086261204 179259838 /nfs/dbraw/zinc/25/98/38/179259838.db2.gz IWXMZPUIWJBWCI-GOEBONIOSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C ZINC000086261204 179259839 /nfs/dbraw/zinc/25/98/39/179259839.db2.gz IWXMZPUIWJBWCI-GOEBONIOSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1C[C@H](C2CC2)NC[C@@H]1C ZINC000086261204 179259841 /nfs/dbraw/zinc/25/98/41/179259841.db2.gz IWXMZPUIWJBWCI-GOEBONIOSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@@H]1CNC2(CCCCC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261065 179259941 /nfs/dbraw/zinc/25/99/41/179259941.db2.gz CPKURCLLXUMZLE-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H]1C[NH2+]C2(CCCCC2)CN1CCCC[NH+](C)C ZINC000086261065 179259942 /nfs/dbraw/zinc/25/99/42/179259942.db2.gz CPKURCLLXUMZLE-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288185 179264776 /nfs/dbraw/zinc/26/47/76/179264776.db2.gz RTFQFRBTWGMDAH-MRXNPFEDSA-N 2 1 259.397 2.088 10 0 CEAEMP C[C@H]1CN[C@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258974 179256843 /nfs/dbraw/zinc/25/68/43/179256843.db2.gz JQOWBEIKTRDVAT-YJBOKZPZSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293363 179267571 /nfs/dbraw/zinc/26/75/71/179267571.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293363 179267572 /nfs/dbraw/zinc/26/75/72/179267572.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293363 179267574 /nfs/dbraw/zinc/26/75/74/179267574.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN(CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293363 179267575 /nfs/dbraw/zinc/26/75/75/179267575.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN(CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293363 179267577 /nfs/dbraw/zinc/26/75/77/179267577.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@H]1Cc2ccccc21 ZINC000086488958 179302608 /nfs/dbraw/zinc/30/26/08/179302608.db2.gz GHKRXBXVWRKJHS-HOCLYGCPSA-N 2 1 253.349 2.134 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000086818552 179347652 /nfs/dbraw/zinc/34/76/52/179347652.db2.gz UHSUOMREOKNIMP-GJZGRUSLSA-N 2 1 278.444 2.372 10 0 CEAEMP CC1CC[NH+](CCCN[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086817371 179344414 /nfs/dbraw/zinc/34/44/14/179344414.db2.gz PVVCHEBMLZVNEL-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086817371 179344417 /nfs/dbraw/zinc/34/44/17/179344417.db2.gz PVVCHEBMLZVNEL-MRXNPFEDSA-N 3 1 267.461 2.182 10 0 CEAEMP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086817371 179344419 /nfs/dbraw/zinc/34/44/19/179344419.db2.gz PVVCHEBMLZVNEL-MRXNPFEDSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847607 179356211 /nfs/dbraw/zinc/35/62/11/179356211.db2.gz KUCRIFHMKPSLQX-MRXNPFEDSA-N 2 1 279.428 2.223 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCC(OCC)CC2)CC1 ZINC000086847434 179356789 /nfs/dbraw/zinc/35/67/89/179356789.db2.gz YOPZXZDWWXZUFZ-KRWDZBQOSA-N 2 1 297.487 2.081 10 0 CEAEMP C[NH2+]CC1CC[NH+]([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086850958 179357479 /nfs/dbraw/zinc/35/74/79/179357479.db2.gz CUAXWOBTWKMSST-INIZCTEOSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848893 179357618 /nfs/dbraw/zinc/35/76/18/179357618.db2.gz ZBPAUKVDCPBDGI-OWCLPIDISA-N 2 1 299.528 2.404 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840340 179352108 /nfs/dbraw/zinc/35/21/08/179352108.db2.gz ALUVRJWYGOIVOA-CQSZACIVSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840340 179352109 /nfs/dbraw/zinc/35/21/09/179352109.db2.gz ALUVRJWYGOIVOA-CQSZACIVSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840340 179352110 /nfs/dbraw/zinc/35/21/10/179352110.db2.gz ALUVRJWYGOIVOA-CQSZACIVSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840799 179352953 /nfs/dbraw/zinc/35/29/53/179352953.db2.gz PWJLHZSKTXAQKL-OAHLLOKOSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840799 179352955 /nfs/dbraw/zinc/35/29/55/179352955.db2.gz PWJLHZSKTXAQKL-OAHLLOKOSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842817 179353955 /nfs/dbraw/zinc/35/39/55/179353955.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842817 179353957 /nfs/dbraw/zinc/35/39/57/179353957.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842817 179353958 /nfs/dbraw/zinc/35/39/58/179353958.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086846633 179355040 /nfs/dbraw/zinc/35/50/40/179355040.db2.gz XMVKMSGMJPAGJJ-INIZCTEOSA-N 2 1 267.461 2.456 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086846633 179355043 /nfs/dbraw/zinc/35/50/43/179355043.db2.gz XMVKMSGMJPAGJJ-INIZCTEOSA-N 2 1 267.461 2.456 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086846633 179355045 /nfs/dbraw/zinc/35/50/45/179355045.db2.gz XMVKMSGMJPAGJJ-INIZCTEOSA-N 2 1 267.461 2.456 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851149 179359639 /nfs/dbraw/zinc/35/96/39/179359639.db2.gz XCBQWTMNDQLCRG-HZPDHXFCSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851149 179359642 /nfs/dbraw/zinc/35/96/42/179359642.db2.gz XCBQWTMNDQLCRG-HZPDHXFCSA-N 3 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851149 179359644 /nfs/dbraw/zinc/35/96/44/179359644.db2.gz XCBQWTMNDQLCRG-HZPDHXFCSA-N 3 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851149 179359646 /nfs/dbraw/zinc/35/96/46/179359646.db2.gz XCBQWTMNDQLCRG-HZPDHXFCSA-N 3 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851149 179359648 /nfs/dbraw/zinc/35/96/48/179359648.db2.gz XCBQWTMNDQLCRG-HZPDHXFCSA-N 3 1 267.461 2.454 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867911 179360934 /nfs/dbraw/zinc/36/09/34/179360934.db2.gz LVHYOYJLFWMVHO-KRWDZBQOSA-N 2 1 276.424 2.402 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867911 179360936 /nfs/dbraw/zinc/36/09/36/179360936.db2.gz LVHYOYJLFWMVHO-KRWDZBQOSA-N 2 1 276.424 2.402 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848923 179358215 /nfs/dbraw/zinc/35/82/15/179358215.db2.gz OUZPRQVDHCFUFJ-QGZVFWFLSA-N 2 1 279.472 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848923 179358217 /nfs/dbraw/zinc/35/82/17/179358217.db2.gz OUZPRQVDHCFUFJ-QGZVFWFLSA-N 2 1 279.472 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848923 179358218 /nfs/dbraw/zinc/35/82/18/179358218.db2.gz OUZPRQVDHCFUFJ-QGZVFWFLSA-N 2 1 279.472 2.312 10 0 CEAEMP CCC[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000086950250 179368498 /nfs/dbraw/zinc/36/84/98/179368498.db2.gz BFLKKPKPJOWUPT-CVEARBPZSA-N 2 1 295.471 2.099 10 0 CEAEMP CCC1CCC(O)(C[NH2+]CCn2cc[nH+]c2C)CC1 ZINC000087066115 179390099 /nfs/dbraw/zinc/39/00/99/179390099.db2.gz GJPOBBJCSUEDAQ-UHFFFAOYSA-N 2 1 265.401 2.112 10 0 CEAEMP CC[C@@H](C)SC[C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000087135655 179396788 /nfs/dbraw/zinc/39/67/88/179396788.db2.gz OEVOOQAXXSAVAI-ZYHUDNBSSA-N 2 1 253.415 2.326 10 0 CEAEMP C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511186 233179411 /nfs/dbraw/zinc/17/94/11/233179411.db2.gz FNOAMRUZERRZRU-ATLSCFEFSA-N 2 1 287.451 2.095 10 0 CEAEMP C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511186 233179412 /nfs/dbraw/zinc/17/94/12/233179412.db2.gz FNOAMRUZERRZRU-ATLSCFEFSA-N 2 1 287.451 2.095 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514772 233179971 /nfs/dbraw/zinc/17/99/71/233179971.db2.gz MSNGGJAWHOBMSO-HLLBOEOZSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514772 233179974 /nfs/dbraw/zinc/17/99/74/233179974.db2.gz MSNGGJAWHOBMSO-HLLBOEOZSA-N 2 1 275.440 2.095 10 0 CEAEMP CC[NH2+][C@H]1CC[N@H+](CCOC2CCCC2)[C@H](C)C1 ZINC000104435424 186001304 /nfs/dbraw/zinc/00/13/04/186001304.db2.gz QSKZWHVPZZCDRY-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CC[N@@H+](CCOC2CCCC2)[C@H](C)C1 ZINC000104435424 186001306 /nfs/dbraw/zinc/00/13/06/186001306.db2.gz QSKZWHVPZZCDRY-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP Cc1ncsc1C[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000104437467 186001391 /nfs/dbraw/zinc/00/13/91/186001391.db2.gz RNDZRSCGHHTOMC-UHFFFAOYSA-N 2 1 274.393 2.368 10 0 CEAEMP Cc1ncsc1C[N@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000104437467 186001392 /nfs/dbraw/zinc/00/13/92/186001392.db2.gz RNDZRSCGHHTOMC-UHFFFAOYSA-N 2 1 274.393 2.368 10 0 CEAEMP CCCC[N@@H+](C[C@@H]1COC[C@@H]1[NH2+]CCC)C1CC1 ZINC000090566428 180006076 /nfs/dbraw/zinc/00/60/76/180006076.db2.gz WBXLSOAEWYEGLK-HIFRSBDPSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566760 180006538 /nfs/dbraw/zinc/00/65/38/180006538.db2.gz HKPBYOZLGRWYEP-RCCFBDPRSA-N 2 1 288.435 2.491 10 0 CEAEMP CC(C)[N@@H+](Cc1cccs1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606836 180011352 /nfs/dbraw/zinc/01/13/52/180011352.db2.gz UZHFLGMQUXRQMA-KBPBESRZSA-N 2 1 268.426 2.322 10 0 CEAEMP FC(F)(F)CC[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694488 180025819 /nfs/dbraw/zinc/02/58/19/180025819.db2.gz USEMUKDXFMTJDG-NSHDSACASA-N 2 1 250.308 2.403 10 0 CEAEMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693969 180025849 /nfs/dbraw/zinc/02/58/49/180025849.db2.gz LIWCRARXZCMKFL-ARFHVFGLSA-N 2 1 295.471 2.001 10 0 CEAEMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693969 180025851 /nfs/dbraw/zinc/02/58/51/180025851.db2.gz LIWCRARXZCMKFL-ARFHVFGLSA-N 2 1 295.471 2.001 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873621 180050202 /nfs/dbraw/zinc/05/02/02/180050202.db2.gz ZZEMARNDIDWPGI-QEJZJMRPSA-N 2 1 260.381 2.049 10 0 CEAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876275 180052410 /nfs/dbraw/zinc/05/24/10/180052410.db2.gz VPNMDIPFWVTSDF-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892242 180053773 /nfs/dbraw/zinc/05/37/73/180053773.db2.gz KCSIYWBTHYBXOO-WBMJQRKESA-N 2 1 290.382 2.203 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[NH2+]C(C)(C)C1)O2 ZINC000090902508 180059629 /nfs/dbraw/zinc/05/96/29/180059629.db2.gz BADQAYMEJQQUBK-HNNXBMFYSA-N 2 1 274.408 2.372 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[NH2+]C(C)(C)C1)O2 ZINC000090902508 180059631 /nfs/dbraw/zinc/05/96/31/180059631.db2.gz BADQAYMEJQQUBK-HNNXBMFYSA-N 2 1 274.408 2.372 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907811 180061758 /nfs/dbraw/zinc/06/17/58/180061758.db2.gz BAGHYOSXSXIFOM-KFWWJZLASA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907854 180061765 /nfs/dbraw/zinc/06/17/65/180061765.db2.gz JBFBTGCWVDCBQQ-GASCZTMLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@@H+](Cc1csc(CC[NH3+])n1)C1CCCC1 ZINC000090958030 180075072 /nfs/dbraw/zinc/07/50/72/180075072.db2.gz UTFOYVDNDPAYPT-UHFFFAOYSA-N 2 1 253.415 2.409 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000090960469 180075542 /nfs/dbraw/zinc/07/55/42/180075542.db2.gz DVPGJLPLJAZNLH-SNVBAGLBSA-N 2 1 269.414 2.136 10 0 CEAEMP CC(C)[C@@H]1CCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314289 180134091 /nfs/dbraw/zinc/13/40/91/180134091.db2.gz MKHAYGXJIZIFHW-HUUCEWRRSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]Cc1cncc(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000091434619 180154447 /nfs/dbraw/zinc/15/44/47/180154447.db2.gz UJGQJGBPZFRVKR-HNNXBMFYSA-N 2 1 292.427 2.085 10 0 CEAEMP CC[C@H](C)n1ccc(C[N@@H+](C)CC2CC([NH3+])C2)n1 ZINC000091472382 180165520 /nfs/dbraw/zinc/16/55/20/180165520.db2.gz ICJBMXJRFWRBAC-HIFPTAJRSA-N 2 1 250.390 2.023 10 0 CEAEMP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091490538 180169808 /nfs/dbraw/zinc/16/98/08/180169808.db2.gz XOEGCWRMQIYFND-NRXISQOPSA-N 2 1 256.434 2.103 10 0 CEAEMP CC[NH2+]C[C@@](C)(C[N@@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490346 180169954 /nfs/dbraw/zinc/16/99/54/180169954.db2.gz VZGGMGWFGJHFNK-VJFUWPCTSA-N 2 1 290.451 2.257 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@@H](N)Cc1cc[nH+]c(N)c1 ZINC000091573554 180196037 /nfs/dbraw/zinc/19/60/37/180196037.db2.gz BYWUQAUKIVVUNS-ZFWWWQNUSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@@H](N)Cc1cc[nH+]c(N)c1 ZINC000091573555 180196597 /nfs/dbraw/zinc/19/65/97/180196597.db2.gz BYWUQAUKIVVUNS-DZGCQCFKSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[C@](C)([C@@H](Cc1cnn(C)c1)[NH2+]C)[NH+]1CCCCC1 ZINC000091609698 180205906 /nfs/dbraw/zinc/20/59/06/180205906.db2.gz RIIBHZPKSFRXFL-HZPDHXFCSA-N 2 1 278.444 2.205 10 0 CEAEMP CC[NH+](CC)C(CC)(CC)[C@@H](O)Cc1ccc[nH+]c1N ZINC000091615670 180208085 /nfs/dbraw/zinc/20/80/85/180208085.db2.gz OABYZEJWJBASKF-AWEZNQCLSA-N 2 1 279.428 2.468 10 0 CEAEMP CCn1cc(C[C@@H]([NH3+])C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640589 180213365 /nfs/dbraw/zinc/21/33/65/180213365.db2.gz POWFYHPOXPNUGQ-OAHLLOKOSA-N 2 1 276.428 2.181 10 0 CEAEMP Nc1cc[nH+]cc1[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640454 180213371 /nfs/dbraw/zinc/21/33/71/180213371.db2.gz SBRBXJNLDBJSEM-CQSZACIVSA-N 2 1 261.369 2.106 10 0 CEAEMP CC1CCC([C@H](O)c2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648665 180216417 /nfs/dbraw/zinc/21/64/17/180216417.db2.gz BYLVXPAHCZBASL-XGTXGMFGSA-N 2 1 263.385 2.208 10 0 CEAEMP CC[NH2+][C@H](CCC(F)(F)F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722013 180239423 /nfs/dbraw/zinc/23/94/23/180239423.db2.gz DHTJQOKQQKQLDC-UTUOFQBUSA-N 2 1 280.334 2.170 10 0 CEAEMP CC[NH2+][C@H](CCC(F)(F)F)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722013 180239427 /nfs/dbraw/zinc/23/94/27/180239427.db2.gz DHTJQOKQQKQLDC-UTUOFQBUSA-N 2 1 280.334 2.170 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1cncnc1 ZINC000091716760 180232695 /nfs/dbraw/zinc/23/26/95/180232695.db2.gz PECHRNVRGWHIQZ-AWEZNQCLSA-N 2 1 250.390 2.249 10 0 CEAEMP C[NH2+][C@H](CCc1cccs1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721097 180235172 /nfs/dbraw/zinc/23/51/72/180235172.db2.gz YNANTHJCWKANRV-YUELXQCFSA-N 2 1 280.437 2.132 10 0 CEAEMP C[NH2+][C@H](CCc1cccs1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721097 180235174 /nfs/dbraw/zinc/23/51/74/180235174.db2.gz YNANTHJCWKANRV-YUELXQCFSA-N 2 1 280.437 2.132 10 0 CEAEMP CCC[C@H](C)C[C@H]([NH2+]C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721057 180236195 /nfs/dbraw/zinc/23/61/95/180236195.db2.gz JOHLVKMVXWXDAF-XGUBFFRZSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[C@H](C)C[C@H]([NH2+]C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721057 180236197 /nfs/dbraw/zinc/23/61/97/180236197.db2.gz JOHLVKMVXWXDAF-XGUBFFRZSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721451 180237725 /nfs/dbraw/zinc/23/77/25/180237725.db2.gz AJPMILQUZFZYDF-BZUAXINKSA-N 2 1 294.826 2.334 10 0 CEAEMP C[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721451 180237726 /nfs/dbraw/zinc/23/77/26/180237726.db2.gz AJPMILQUZFZYDF-BZUAXINKSA-N 2 1 294.826 2.334 10 0 CEAEMP CC[NH2+][C@H](C)c1cccn1C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000091802146 180259315 /nfs/dbraw/zinc/25/93/15/180259315.db2.gz BICMHBUCVDQMRO-CABCVRRESA-N 2 1 279.428 2.268 10 0 CEAEMP CC[N@@H+](Cc1ncnn1CC(C)C)C1CCC([NH3+])CC1 ZINC000091850792 180272479 /nfs/dbraw/zinc/27/24/79/180272479.db2.gz HXTJYLPPCGJJES-UHFFFAOYSA-N 2 1 279.432 2.026 10 0 CEAEMP CCC[N@@H+](CCN1CCCC1)C1CCC([NH3+])CC1 ZINC000091852369 180272711 /nfs/dbraw/zinc/27/27/11/180272711.db2.gz HONVMROPYKYPBO-UHFFFAOYSA-N 2 1 253.434 2.064 10 0 CEAEMP CCC[N@@H+](Cc1cc(C)nn1C)C1CCC([NH3+])CC1 ZINC000091852479 180273022 /nfs/dbraw/zinc/27/30/22/180273022.db2.gz NTFIDNGQKHLZIW-UHFFFAOYSA-N 2 1 264.417 2.210 10 0 CEAEMP CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)CC)C1CCC([NH3+])CC1 ZINC000091852440 180273252 /nfs/dbraw/zinc/27/32/52/180273252.db2.gz VLVQFWQWVLCSNZ-ZUJMUWTESA-N 2 1 283.460 2.272 10 0 CEAEMP CC[N@@H+](Cc1c(C)nn(C)c1Cl)C1CCC([NH3+])CC1 ZINC000091850801 180272057 /nfs/dbraw/zinc/27/20/57/180272057.db2.gz YRTOBSJCTSXLRR-UHFFFAOYSA-N 2 1 284.835 2.474 10 0 CEAEMP CCCC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)CC[NH2+]CC1 ZINC000092005493 180305391 /nfs/dbraw/zinc/30/53/91/180305391.db2.gz UWOZMHFLSHSKIR-CVEARBPZSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000092082138 180319572 /nfs/dbraw/zinc/31/95/72/180319572.db2.gz LCFCJPOCONEKMJ-BETUJISGSA-N 2 1 275.396 2.062 10 0 CEAEMP CCCC1(C[N@H+]2CC[C@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000110371008 186294708 /nfs/dbraw/zinc/29/47/08/186294708.db2.gz YNDKCPHMGVTVRC-INIZCTEOSA-N 2 1 279.472 2.326 10 0 CEAEMP CCOc1cccc([C@H](C[NH3+])N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000110708672 186313674 /nfs/dbraw/zinc/31/36/74/186313674.db2.gz XKFZKZVFQHZCIS-YOEHRIQHSA-N 2 1 291.439 2.111 10 0 CEAEMP Cc1ccc(C)c([C@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110716495 186315688 /nfs/dbraw/zinc/31/56/88/186315688.db2.gz KDKGQEYLJABZGJ-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP C[C@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@H+]1C ZINC000110752283 186321424 /nfs/dbraw/zinc/32/14/24/186321424.db2.gz LQRJFEDARZORCV-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110752283 186321426 /nfs/dbraw/zinc/32/14/26/186321426.db2.gz LQRJFEDARZORCV-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110752283 186321428 /nfs/dbraw/zinc/32/14/28/186321428.db2.gz LQRJFEDARZORCV-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111150047 186360608 /nfs/dbraw/zinc/36/06/08/186360608.db2.gz YAIIZKWFABBTLQ-UHFFFAOYSA-N 3 1 263.429 2.180 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111150047 186360609 /nfs/dbraw/zinc/36/06/09/186360609.db2.gz YAIIZKWFABBTLQ-UHFFFAOYSA-N 3 1 263.429 2.180 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000111174913 186365326 /nfs/dbraw/zinc/36/53/26/186365326.db2.gz HSOYGDAILDOYLD-CYBMUJFWSA-N 2 1 266.385 2.248 10 0 CEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171735 186365505 /nfs/dbraw/zinc/36/55/05/186365505.db2.gz BNQBTMKJYYITSY-RRFJBIMHSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC1(C[N@@H+](C)C[C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000111179186 186366361 /nfs/dbraw/zinc/36/63/61/186366361.db2.gz BWUAENDPGXAXNY-AWEZNQCLSA-N 2 1 254.418 2.125 10 0 CEAEMP C[N@H+](C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C[C@@H]1CCCOC1 ZINC000111179250 186366587 /nfs/dbraw/zinc/36/65/87/186366587.db2.gz QDRBCSDRTVCDMT-VGWMRTNUSA-N 2 1 266.429 2.266 10 0 CEAEMP C[N@@H+](C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C[C@@H]1CCCOC1 ZINC000111179250 186366588 /nfs/dbraw/zinc/36/65/88/186366588.db2.gz QDRBCSDRTVCDMT-VGWMRTNUSA-N 2 1 266.429 2.266 10 0 CEAEMP CC(C)[NH2+]C[C@]1(C[N@@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327411 186398403 /nfs/dbraw/zinc/39/84/03/186398403.db2.gz XKKQKWUNUDFWIC-KRWDZBQOSA-N 2 1 298.471 2.018 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)C[C@@]1(C[NH2+]C)CCCOC1 ZINC000111328263 186399370 /nfs/dbraw/zinc/39/93/70/186399370.db2.gz XTHRVOGHNPLTBL-INIZCTEOSA-N 2 1 286.460 2.140 10 0 CEAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000111706976 186447990 /nfs/dbraw/zinc/44/79/90/186447990.db2.gz UCYFAYZLFVOLLX-DZGCQCFKSA-N 2 1 254.418 2.123 10 0 CEAEMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178334201 189107999 /nfs/dbraw/zinc/10/79/99/189107999.db2.gz PAVKNQFNQBWPCG-CQSZACIVSA-N 2 1 274.368 2.461 10 0 CEAEMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178334201 189108000 /nfs/dbraw/zinc/10/80/00/189108000.db2.gz PAVKNQFNQBWPCG-CQSZACIVSA-N 2 1 274.368 2.461 10 0 CEAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC000275579958 193078935 /nfs/dbraw/zinc/07/89/35/193078935.db2.gz OYAHDFXFSSINLR-AWEZNQCLSA-N 2 1 299.374 2.007 10 0 CEAEMP CCn1nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc21 ZINC000634999662 369036123 /nfs/dbraw/zinc/03/61/23/369036123.db2.gz XNKGFKYZGPMBMB-QWHCGFSZSA-N 2 1 272.396 2.083 10 0 CEAEMP CCn1nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc21 ZINC000634999662 369036126 /nfs/dbraw/zinc/03/61/26/369036126.db2.gz XNKGFKYZGPMBMB-QWHCGFSZSA-N 2 1 272.396 2.083 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH2+]CC1 ZINC000635003352 369039043 /nfs/dbraw/zinc/03/90/43/369039043.db2.gz IJAKCTHPBJELOF-WBVHZDCISA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003352 369039049 /nfs/dbraw/zinc/03/90/49/369039049.db2.gz IJAKCTHPBJELOF-WBVHZDCISA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003352 369039056 /nfs/dbraw/zinc/03/90/56/369039056.db2.gz IJAKCTHPBJELOF-WBVHZDCISA-N 3 1 287.451 2.096 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248030707 284167303 /nfs/dbraw/zinc/16/73/03/284167303.db2.gz KHBUPAHPTJMTPD-JJXSEGSLSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248030707 284167304 /nfs/dbraw/zinc/16/73/04/284167304.db2.gz KHBUPAHPTJMTPD-JJXSEGSLSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248030707 284167305 /nfs/dbraw/zinc/16/73/05/284167305.db2.gz KHBUPAHPTJMTPD-JJXSEGSLSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248030707 284167306 /nfs/dbraw/zinc/16/73/06/284167306.db2.gz KHBUPAHPTJMTPD-JJXSEGSLSA-N 2 1 294.439 2.277 10 0 CEAEMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261590908 371666442 /nfs/dbraw/zinc/66/64/42/371666442.db2.gz LSJRUEXVVVLBGM-CFVMTHIKSA-N 2 1 260.381 2.173 10 0 CEAEMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261614508 371678847 /nfs/dbraw/zinc/67/88/47/371678847.db2.gz BDBHXYBHUORBRT-CVEARBPZSA-N 2 1 297.402 2.270 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@@H]12 ZINC000261584015 371663513 /nfs/dbraw/zinc/66/35/13/371663513.db2.gz SAAKWKVXGUNGCE-IRUJWGPZSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@@H]12 ZINC000261584015 371663514 /nfs/dbraw/zinc/66/35/14/371663514.db2.gz SAAKWKVXGUNGCE-IRUJWGPZSA-N 2 1 252.308 2.134 10 0 CEAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695773 371703680 /nfs/dbraw/zinc/70/36/80/371703680.db2.gz BIKQNICHZZKCAU-GOEBONIOSA-N 3 1 276.428 2.082 10 0 CEAEMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000262043103 371809047 /nfs/dbraw/zinc/80/90/47/371809047.db2.gz YPTFEGFGEMUAQW-JYJNAYRXSA-N 2 1 288.439 2.095 10 0 CEAEMP CCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262051282 371814023 /nfs/dbraw/zinc/81/40/23/371814023.db2.gz ZQIYJRDOFLSIBJ-RBSFLKMASA-N 2 1 266.429 2.313 10 0 CEAEMP CC(C)[NH2+]CCCNc1cc[nH+]cc1Br ZINC000643003659 372910348 /nfs/dbraw/zinc/91/03/48/372910348.db2.gz SAUJROBGPSGXFK-UHFFFAOYSA-N 2 1 272.190 2.066 10 0 CEAEMP CC(C)Oc1ncccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643471817 373140374 /nfs/dbraw/zinc/14/03/74/373140374.db2.gz DMWLRJRWBPPPBX-KBPBESRZSA-N 2 1 277.412 2.347 10 0 CEAEMP COc1ncccc1C[NH2+][C@@H](C)C[C@H]1CCCC[NH2+]1 ZINC000093486026 184683068 /nfs/dbraw/zinc/68/30/68/184683068.db2.gz OKAHKXOJRJDGEK-GXTWGEPZSA-N 2 1 263.385 2.101 10 0 CEAEMP CCCC1CC[NH+]([C@H]2CCC[C@@]([NH2+]CC)(C(N)=O)C2)CC1 ZINC000093752972 184714099 /nfs/dbraw/zinc/71/40/99/184714099.db2.gz KFPGLJCNSBACIO-RDJZCZTQSA-N 2 1 295.471 2.275 10 0 CEAEMP CCC[N@H+](Cc1cc(C)nn1CC)CC1CC[NH2+]CC1 ZINC000094025573 184751367 /nfs/dbraw/zinc/75/13/67/184751367.db2.gz MQAQTEGIFLUYDB-UHFFFAOYSA-N 2 1 278.444 2.423 10 0 CEAEMP CC[NH+](CC)[C@H]1CCN(c2[nH]c3ccc(N)cc3[nH+]2)C1 ZINC000094770966 184857753 /nfs/dbraw/zinc/85/77/53/184857753.db2.gz VWSVZNMVLZPYEV-LBPRGKRZSA-N 2 1 273.384 2.066 10 0 CEAEMP CC(C)([NH3+])CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000084187978 135031765 /nfs/dbraw/zinc/03/17/65/135031765.db2.gz ZTZPWEVLPCCEMJ-UHFFFAOYSA-N 2 1 265.376 2.075 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093068388 135079206 /nfs/dbraw/zinc/07/92/06/135079206.db2.gz PXRSSNRSZKEQBV-ZIAGYGMSSA-N 2 1 279.403 2.192 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(C[NH3+])n1 ZINC000094443304 135088454 /nfs/dbraw/zinc/08/84/54/135088454.db2.gz UIKZPBWBADYWDB-VXGBXAGGSA-N 2 1 294.830 2.257 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc(C[NH3+])cc1Cl ZINC000094443294 135088666 /nfs/dbraw/zinc/08/86/66/135088666.db2.gz YFVBMYYIUJSWDM-DGCLKSJQSA-N 2 1 294.830 2.257 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1F ZINC000094444592 135088775 /nfs/dbraw/zinc/08/87/75/135088775.db2.gz OGHXISKTPZTEQZ-DZGCQCFKSA-N 2 1 291.414 2.390 10 0 CEAEMP CCC[NH2+]Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)nc1 ZINC000094443193 135088824 /nfs/dbraw/zinc/08/88/24/135088824.db2.gz LKOQGHHDVYOORZ-MRXNPFEDSA-N 2 1 288.439 2.256 10 0 CEAEMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261745700 394606587 /nfs/dbraw/zinc/60/65/87/394606587.db2.gz BSWHCNHPLOYDGG-YCPHGPKFSA-N 2 1 259.397 2.464 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381590743 395175127 /nfs/dbraw/zinc/17/51/27/395175127.db2.gz DMJBUIIYPFPFCU-YNEHKIRRSA-N 2 1 258.356 2.496 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381590743 395175131 /nfs/dbraw/zinc/17/51/31/395175131.db2.gz DMJBUIIYPFPFCU-YNEHKIRRSA-N 2 1 258.356 2.496 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381590740 395175544 /nfs/dbraw/zinc/17/55/44/395175544.db2.gz DMJBUIIYPFPFCU-UPJWGTAASA-N 2 1 258.356 2.496 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381590740 395175546 /nfs/dbraw/zinc/17/55/46/395175546.db2.gz DMJBUIIYPFPFCU-UPJWGTAASA-N 2 1 258.356 2.496 10 0 CEAEMP OCCC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444570095 395437193 /nfs/dbraw/zinc/43/71/93/395437193.db2.gz GPZVWCALLCKZJL-HNNXBMFYSA-N 2 1 254.418 2.099 10 0 CEAEMP CCC(CC)NC(=O)[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365728 171164389 /nfs/dbraw/zinc/16/43/89/171164389.db2.gz JPJCIIVKOQQQPX-CYBMUJFWSA-N 2 1 271.449 2.001 10 0 CEAEMP CCCN(CCC)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524100 171237185 /nfs/dbraw/zinc/23/71/85/171237185.db2.gz GPODFHVVAYUCIC-YIONKMFJSA-N 2 1 253.434 2.063 10 0 CEAEMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022155108 171362095 /nfs/dbraw/zinc/36/20/95/171362095.db2.gz BKZZCCHOTQAAFP-ZDUSSCGKSA-N 2 1 275.396 2.206 10 0 CEAEMP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(OC)c1 ZINC000040749250 174393761 /nfs/dbraw/zinc/39/37/61/174393761.db2.gz SWKZOJQOPAWKEH-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(OC)c1 ZINC000040749250 174393762 /nfs/dbraw/zinc/39/37/62/174393762.db2.gz SWKZOJQOPAWKEH-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP CCc1ccc([C@H](CN2CCC[N@@H+](C)CC2)[NH2+]C)cc1 ZINC000043818221 175113008 /nfs/dbraw/zinc/11/30/08/175113008.db2.gz MQIKXGIMPCYMAP-KRWDZBQOSA-N 2 1 275.440 2.147 10 0 CEAEMP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818343 175113106 /nfs/dbraw/zinc/11/31/06/175113106.db2.gz HZUPZQCOKAWVJQ-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043901842 175121874 /nfs/dbraw/zinc/12/18/74/175121874.db2.gz LESLVFHJMCGILG-JKSUJKDBSA-N 2 1 261.413 2.477 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901842 175121876 /nfs/dbraw/zinc/12/18/76/175121876.db2.gz LESLVFHJMCGILG-JKSUJKDBSA-N 2 1 261.413 2.477 10 0 CEAEMP CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000045072523 175301797 /nfs/dbraw/zinc/30/17/97/175301797.db2.gz VEVCXTLGVNRXGK-CABCVRRESA-N 2 1 283.460 2.003 10 0 CEAEMP CC(C)CCOCC[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000045109375 175309651 /nfs/dbraw/zinc/30/96/51/175309651.db2.gz HTLXONJLOVKBLC-GASCZTMLSA-N 2 1 256.434 2.227 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000045134870 175312491 /nfs/dbraw/zinc/31/24/91/175312491.db2.gz DBCDVVVTRLXKLI-CQSZACIVSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000045136109 175313660 /nfs/dbraw/zinc/31/36/60/175313660.db2.gz FSXBZJYJDFVNQU-NSHDSACASA-N 2 1 255.431 2.188 10 0 CEAEMP CCCCC[N@H+](CC[C@@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045278641 175349554 /nfs/dbraw/zinc/34/95/54/175349554.db2.gz NXYWAPIWSLYZAT-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCCC[N@@H+](CC[C@@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045278641 175349556 /nfs/dbraw/zinc/34/95/56/175349556.db2.gz NXYWAPIWSLYZAT-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379744 175369274 /nfs/dbraw/zinc/36/92/74/175369274.db2.gz DKTOJYOQXFPMLA-IJEWVQPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCC1)C(N)=O ZINC000045384742 175372491 /nfs/dbraw/zinc/37/24/91/175372491.db2.gz HPBNAQRRKAGHSM-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[N@H+](CCC[C@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387595 175372785 /nfs/dbraw/zinc/37/27/85/175372785.db2.gz BUFFXRJBXFLWGO-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@@H+](CCC[C@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387595 175372786 /nfs/dbraw/zinc/37/27/86/175372786.db2.gz BUFFXRJBXFLWGO-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419964 175377857 /nfs/dbraw/zinc/37/78/57/175377857.db2.gz QKXIADJXMRIGSD-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)CC1CC1)C(=O)OCC ZINC000045419964 175377858 /nfs/dbraw/zinc/37/78/58/175377858.db2.gz QKXIADJXMRIGSD-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421037 175379825 /nfs/dbraw/zinc/37/98/25/175379825.db2.gz QPIYNKBIYMDYTR-BBRMVZONSA-N 2 1 285.476 2.375 10 0 CEAEMP CC[N@H+](C[C@H]1OCCc2ccccc21)C1CC[NH2+]CC1 ZINC000071092163 176031898 /nfs/dbraw/zinc/03/18/98/176031898.db2.gz WYFNTZYWWBUIOY-QGZVFWFLSA-N 2 1 274.408 2.374 10 0 CEAEMP CC[N@@H+](C[C@H]1OCCc2ccccc21)C1CC[NH2+]CC1 ZINC000071092163 176031899 /nfs/dbraw/zinc/03/18/99/176031899.db2.gz WYFNTZYWWBUIOY-QGZVFWFLSA-N 2 1 274.408 2.374 10 0 CEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148939 176044820 /nfs/dbraw/zinc/04/48/20/176044820.db2.gz KKMRDXFNGYJLRE-CABCVRRESA-N 2 1 267.461 2.038 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000071188026 176061491 /nfs/dbraw/zinc/06/14/91/176061491.db2.gz JOFHEYFVFOKTLY-WFASDCNBSA-N 2 1 281.831 2.223 10 0 CEAEMP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071187917 176061702 /nfs/dbraw/zinc/06/17/02/176061702.db2.gz AHKUXAKTXWDQHC-GUTXKFCHSA-N 2 1 281.469 2.328 10 0 CEAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188594 176063482 /nfs/dbraw/zinc/06/34/82/176063482.db2.gz MGXOSEADHSRVPY-OAGGEKHMSA-N 2 1 269.477 2.414 10 0 CEAEMP CCc1ccc([C@@H](CN(C)C[C@@H]2CC[N@@H+](C)C2)[NH2+]C)cc1 ZINC000071188878 176063786 /nfs/dbraw/zinc/06/37/86/176063786.db2.gz YCODJUBLXKOXHE-SJLPKXTDSA-N 2 1 289.467 2.393 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)c1 ZINC000071190694 176067327 /nfs/dbraw/zinc/06/73/27/176067327.db2.gz VMXZEQDYKMDDTJ-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)c1 ZINC000071190694 176067328 /nfs/dbraw/zinc/06/73/28/176067328.db2.gz VMXZEQDYKMDDTJ-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071190694 176067330 /nfs/dbraw/zinc/06/73/30/176067330.db2.gz VMXZEQDYKMDDTJ-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071190694 176067331 /nfs/dbraw/zinc/06/73/31/176067331.db2.gz VMXZEQDYKMDDTJ-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP CC(C)C[NH2+]Cc1cccnc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191657 176071933 /nfs/dbraw/zinc/07/19/33/176071933.db2.gz QDTPDLVEGNISPB-HNNXBMFYSA-N 2 1 290.455 2.215 10 0 CEAEMP C[C@H](C[NH2+]Cc1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192301 176073861 /nfs/dbraw/zinc/07/38/61/176073861.db2.gz DIDVEWUSXFDSOR-ZIAGYGMSSA-N 2 1 281.469 2.110 10 0 CEAEMP Cc1ccc(C[NH2+]CCN(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071192438 176074344 /nfs/dbraw/zinc/07/43/44/176074344.db2.gz OTIAPGZQSXUPQP-CQSZACIVSA-N 2 1 281.469 2.030 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000071289782 176110277 /nfs/dbraw/zinc/11/02/77/176110277.db2.gz BKKMSZOXZDMHJE-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071312261 176118755 /nfs/dbraw/zinc/11/87/55/176118755.db2.gz YLPRLJVWQLQDST-QZTJIDSGSA-N 2 1 287.451 2.335 10 0 CEAEMP NC(=[NH2+])[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000079838624 177567601 /nfs/dbraw/zinc/56/76/01/177567601.db2.gz UTLMBWOXSIQWGO-NSHDSACASA-N 2 1 251.761 2.488 10 0 CEAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000079838624 177567602 /nfs/dbraw/zinc/56/76/02/177567602.db2.gz UTLMBWOXSIQWGO-NSHDSACASA-N 2 1 251.761 2.488 10 0 CEAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000390555420 262216651 /nfs/dbraw/zinc/21/66/51/262216651.db2.gz LFUUICPNYHESCS-IAGOWNOFSA-N 2 1 287.451 2.239 10 0 CEAEMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000398004124 270355464 /nfs/dbraw/zinc/35/54/64/270355464.db2.gz PMLAXQPBBDPLNT-SJORKVTESA-N 2 1 275.440 2.095 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261813013 279300460 /nfs/dbraw/zinc/30/04/60/279300460.db2.gz ZWPBYVSNTKWFAS-HZPDHXFCSA-N 2 1 295.471 2.227 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000094074283 290387507 /nfs/dbraw/zinc/38/75/07/290387507.db2.gz UTXLNDOKVMZPEG-NFOMZHRRSA-N 3 1 253.434 2.110 10 0 CEAEMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000581005711 322361306 /nfs/dbraw/zinc/36/13/06/322361306.db2.gz CVMUHJQPUZCQND-JKSUJKDBSA-N 3 1 267.461 2.086 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654644 519743617 /nfs/dbraw/zinc/74/36/17/519743617.db2.gz MGMGOZJQAHJXJB-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCCOC ZINC000054602540 519907692 /nfs/dbraw/zinc/90/76/92/519907692.db2.gz SNVIHHVMHXNWBQ-MQVJKMGUSA-N 2 1 284.444 2.035 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCCOC ZINC000054602540 519907694 /nfs/dbraw/zinc/90/76/94/519907694.db2.gz SNVIHHVMHXNWBQ-MQVJKMGUSA-N 2 1 284.444 2.035 10 0 CEAEMP CC[NH2+]CC1(C[N@H+](C)Cc2ccc(C)o2)CCOCC1 ZINC000052181542 519912092 /nfs/dbraw/zinc/91/20/92/519912092.db2.gz DLCKMOJUYWMPOB-UHFFFAOYSA-N 2 1 280.412 2.426 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccc(C)o2)CCOCC1 ZINC000052181542 519912094 /nfs/dbraw/zinc/91/20/94/519912094.db2.gz DLCKMOJUYWMPOB-UHFFFAOYSA-N 2 1 280.412 2.426 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc(N(C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000054905616 520181696 /nfs/dbraw/zinc/18/16/96/520181696.db2.gz OLPAUTCEFGJOTJ-VXGBXAGGSA-N 2 1 282.457 2.344 10 0 CEAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000050953922 518384317 /nfs/dbraw/zinc/38/43/17/518384317.db2.gz IEFXGTQNGPUAPD-HOTGVXAUSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)(C)[NH2+]Cc1ccoc1CN1CC[NH+](C2CC2)CC1 ZINC000052371296 518765879 /nfs/dbraw/zinc/76/58/79/518765879.db2.gz LCBYJRHZUHACPI-UHFFFAOYSA-N 2 1 291.439 2.448 10 0 CEAEMP CC(C)CC[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052545884 519650683 /nfs/dbraw/zinc/65/06/83/519650683.db2.gz IBUVETWIMUZFAA-UHFFFAOYSA-N 2 1 281.448 2.144 10 0 CEAEMP CC(C)C[N@H+](CCN(C)C)C[C@@H](C)C[NH2+]C(C)C ZINC000052503297 519716140 /nfs/dbraw/zinc/71/61/40/519716140.db2.gz ANMCZYPZXLKANA-HNNXBMFYSA-N 2 1 257.466 2.140 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)C[C@@H](C)C[NH2+]C(C)C ZINC000052503297 519716141 /nfs/dbraw/zinc/71/61/41/519716141.db2.gz ANMCZYPZXLKANA-HNNXBMFYSA-N 2 1 257.466 2.140 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000052476046 519726983 /nfs/dbraw/zinc/72/69/83/519726983.db2.gz IWROFQAFRDSSGK-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1 ZINC000052476046 519726985 /nfs/dbraw/zinc/72/69/85/519726985.db2.gz IWROFQAFRDSSGK-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C2CCOCC2)CCOCC1 ZINC000052181927 519742763 /nfs/dbraw/zinc/74/27/63/519742763.db2.gz YFVRTEBAHMFDSN-UHFFFAOYSA-N 2 1 298.471 2.140 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)CCc1ccncc1 ZINC000052483066 519744495 /nfs/dbraw/zinc/74/44/95/519744495.db2.gz ZUVQJTSZVXKFQW-OAHLLOKOSA-N 2 1 263.429 2.438 10 0 CEAEMP CC(C)OCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062670314 519765805 /nfs/dbraw/zinc/76/58/05/519765805.db2.gz KEHUJQDTMPHTAJ-QGZVFWFLSA-N 2 1 276.424 2.318 10 0 CEAEMP CC(C)OCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062670314 519765806 /nfs/dbraw/zinc/76/58/06/519765806.db2.gz KEHUJQDTMPHTAJ-QGZVFWFLSA-N 2 1 276.424 2.318 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553829 519852053 /nfs/dbraw/zinc/85/20/53/519852053.db2.gz XFRBTMPTTWEHHT-ARFHVFGLSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553829 519852054 /nfs/dbraw/zinc/85/20/54/519852054.db2.gz XFRBTMPTTWEHHT-ARFHVFGLSA-N 3 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553829 519852056 /nfs/dbraw/zinc/85/20/56/519852056.db2.gz XFRBTMPTTWEHHT-ARFHVFGLSA-N 3 1 269.477 2.427 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@H]2CCCO)CCOCC1 ZINC000052763423 519911405 /nfs/dbraw/zinc/91/14/05/519911405.db2.gz JCGTYNNPWPYLOG-INIZCTEOSA-N 2 1 298.471 2.020 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CCOC)[C@@H](C)COC ZINC000052572316 519958340 /nfs/dbraw/zinc/95/83/40/519958340.db2.gz UZMRZJLWYKLLJJ-AWEZNQCLSA-N 2 1 298.427 2.263 10 0 CEAEMP CCC[NH2+]Cc1coc(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000052511757 519964934 /nfs/dbraw/zinc/96/49/34/519964934.db2.gz VAIPGRNCIMQICY-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](CCOC)[C@@H](C)COC ZINC000052572348 519973399 /nfs/dbraw/zinc/97/33/99/519973399.db2.gz PXULLAQSHMTVFZ-AWEZNQCLSA-N 2 1 298.427 2.263 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CCOC)[C@@H](C)COC)cc1 ZINC000052572425 519995970 /nfs/dbraw/zinc/99/59/70/519995970.db2.gz SEDBFOAGSPLCSP-HNNXBMFYSA-N 2 1 294.439 2.279 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](CC)[C@@H](C)COC ZINC000052504760 520010860 /nfs/dbraw/zinc/01/08/60/520010860.db2.gz GJNXEPXMENTPGP-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632892 520044727 /nfs/dbraw/zinc/04/47/27/520044727.db2.gz TVKIBCLOWNEVTK-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632892 520044733 /nfs/dbraw/zinc/04/47/33/520044733.db2.gz TVKIBCLOWNEVTK-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1[NH+]1CCC(COC)CC1 ZINC000070080927 520094940 /nfs/dbraw/zinc/09/49/40/520094940.db2.gz QMMSBJZWNABURY-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086817 520118597 /nfs/dbraw/zinc/11/85/97/520118597.db2.gz YNRBVXAIRDKNRN-CWRNSKLLSA-N 2 1 274.408 2.310 10 0 CEAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086817 520118600 /nfs/dbraw/zinc/11/86/00/520118600.db2.gz YNRBVXAIRDKNRN-CWRNSKLLSA-N 2 1 274.408 2.310 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+](CC)C1CCCCC1)C(N)=O ZINC000068617660 520239942 /nfs/dbraw/zinc/23/99/42/520239942.db2.gz ISUUMWVUPVBCPV-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000068617660 520239952 /nfs/dbraw/zinc/23/99/52/520239952.db2.gz ISUUMWVUPVBCPV-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000049556610 520737090 /nfs/dbraw/zinc/73/70/90/520737090.db2.gz KKAVVAVQPPQTQH-GOEBONIOSA-N 2 1 264.413 2.348 10 0 CEAEMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)[C@@H](CCC)C[NH2+]1 ZINC000068700449 520838003 /nfs/dbraw/zinc/83/80/03/520838003.db2.gz OVUKYHMGBZAEDR-CVEARBPZSA-N 2 1 278.444 2.434 10 0 CEAEMP CC[N@@H+](CCOc1cccc(C[NH2+]C)c1)[C@H](C)COC ZINC000052504860 521150881 /nfs/dbraw/zinc/15/08/81/521150881.db2.gz QVAPUTKXMVLTOG-CQSZACIVSA-N 2 1 280.412 2.142 10 0 CEAEMP C[NH2+]CC1(C[N@H+](C)Cc2cccs2)CCOCC1 ZINC000052181583 521965362 /nfs/dbraw/zinc/96/53/62/521965362.db2.gz QGXJIPPPCSOOTH-UHFFFAOYSA-N 2 1 268.426 2.196 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2cccs2)CCOCC1 ZINC000052181583 521965373 /nfs/dbraw/zinc/96/53/73/521965373.db2.gz QGXJIPPPCSOOTH-UHFFFAOYSA-N 2 1 268.426 2.196 10 0 CEAEMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443462 522018896 /nfs/dbraw/zinc/01/88/96/522018896.db2.gz YZGPGUHOMFPLDH-ZDUSSCGKSA-N 2 1 281.831 2.460 10 0 CEAEMP CC[C@@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181186 522048877 /nfs/dbraw/zinc/04/88/77/522048877.db2.gz UJEJMVMEAGECMV-CYBMUJFWSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc2cccnc21 ZINC000070281089 522055605 /nfs/dbraw/zinc/05/56/05/522055605.db2.gz IYKXYLVFLVVCMB-BBRMVZONSA-N 2 1 255.365 2.447 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000053011436 522055836 /nfs/dbraw/zinc/05/58/36/522055836.db2.gz ASQDCCLRMTVOOF-KRWDZBQOSA-N 2 1 287.451 2.192 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000053011436 522055848 /nfs/dbraw/zinc/05/58/48/522055848.db2.gz ASQDCCLRMTVOOF-KRWDZBQOSA-N 2 1 287.451 2.192 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CC2CCCCC2)O1 ZINC000052346817 522060004 /nfs/dbraw/zinc/06/00/04/522060004.db2.gz KOLHIUHAQCKLEN-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]C[C@H](C)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052418993 522070779 /nfs/dbraw/zinc/07/07/79/522070779.db2.gz NAMLGBKXNWXGTL-ZDUSSCGKSA-N 2 1 281.831 2.318 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)Cc2ccncc2)c1 ZINC000052480907 522126507 /nfs/dbraw/zinc/12/65/07/522126507.db2.gz DYMRRSAWPDIEAS-UHFFFAOYSA-N 2 1 255.365 2.433 10 0 CEAEMP CN(C)c1nc(N(CCC[NH3+])C2CCCCCC2)cc[nH+]1 ZINC000068689997 522359251 /nfs/dbraw/zinc/35/92/51/522359251.db2.gz VWLMCVRZKAOZKU-UHFFFAOYSA-N 2 1 291.443 2.421 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812045 523071827 /nfs/dbraw/zinc/07/18/27/523071827.db2.gz ZBXASBARTODUNI-HIFRSBDPSA-N 2 1 287.407 2.316 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953208 523344441 /nfs/dbraw/zinc/34/44/41/523344441.db2.gz NBHXCDPBQPSZEG-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570901 523516828 /nfs/dbraw/zinc/51/68/28/523516828.db2.gz ABCCAKXZNCJHDW-BXUZGUMPSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570901 523516838 /nfs/dbraw/zinc/51/68/38/523516838.db2.gz ABCCAKXZNCJHDW-BXUZGUMPSA-N 2 1 266.385 2.307 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C[NH2+]C(C)C)oc1C ZINC000052572952 523621321 /nfs/dbraw/zinc/62/13/21/523621321.db2.gz CXCXSSCTSFLHQE-UHFFFAOYSA-N 2 1 254.374 2.164 10 0 CEAEMP COCC[NH+](CCOC)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052571516 523719768 /nfs/dbraw/zinc/71/97/68/523719768.db2.gz OAQWCERSSYUJPX-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794758 523824733 /nfs/dbraw/zinc/82/47/33/523824733.db2.gz XCONVDBULRQOFK-LLVKDONJSA-N 2 1 281.787 2.487 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1ccc(C[NH2+]C)o1 ZINC000052547284 523939734 /nfs/dbraw/zinc/93/97/34/523939734.db2.gz VHXCJWVPZRJTPB-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)OCC[C@@H]1CCC[N@H+]1C ZINC000052673540 524458035 /nfs/dbraw/zinc/45/80/35/524458035.db2.gz PHENOPYGHUDDPT-ZFWWWQNUSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000049553774 524478287 /nfs/dbraw/zinc/47/82/87/524478287.db2.gz GDOIKWXPDWJFMG-DOTOQJQBSA-N 2 1 275.440 2.191 10 0 CEAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049553774 524478295 /nfs/dbraw/zinc/47/82/95/524478295.db2.gz GDOIKWXPDWJFMG-DOTOQJQBSA-N 2 1 275.440 2.191 10 0 CEAEMP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125545 524602293 /nfs/dbraw/zinc/60/22/93/524602293.db2.gz IYYGACLSQZHPJF-QXSJWSMHSA-N 2 1 295.471 2.131 10 0 CEAEMP Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)oc1C[NH3+] ZINC000052573144 524699400 /nfs/dbraw/zinc/69/94/00/524699400.db2.gz FHHANTFCYJNLCE-KBPBESRZSA-N 2 1 264.369 2.190 10 0 CEAEMP Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)oc1C[NH3+] ZINC000052573144 524699407 /nfs/dbraw/zinc/69/94/07/524699407.db2.gz FHHANTFCYJNLCE-KBPBESRZSA-N 2 1 264.369 2.190 10 0 CEAEMP C[C@H]1c2ccsc2CC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052182363 525131414 /nfs/dbraw/zinc/13/14/14/525131414.db2.gz ZOWOXOQLRBTCTF-LBPRGKRZSA-N 2 1 280.437 2.423 10 0 CEAEMP Cc1csc(C[NH2+]C[C@H](C[NH3+])c2ccccc2)n1 ZINC000061613673 526356666 /nfs/dbraw/zinc/35/66/66/526356666.db2.gz IFHFIARTFZJELT-ZDUSSCGKSA-N 2 1 261.394 2.284 10 0 CEAEMP Cc1oc(CN2CC[NH+](C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052379317 526771049 /nfs/dbraw/zinc/77/10/49/526771049.db2.gz AKZSPNSGRGTYLI-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP NC(=[NH2+])c1cc(C[N@H+]2CCCc3ccccc3C2)ccn1 ZINC000068761945 526819078 /nfs/dbraw/zinc/81/90/78/526819078.db2.gz GHQUZRSCCVWMKX-UHFFFAOYSA-N 2 1 280.375 2.314 10 0 CEAEMP [NH3+]C[C@H]1CCCCC[C@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758166 527229830 /nfs/dbraw/zinc/22/98/30/527229830.db2.gz KKXNLLPZCNZCDX-RBSFLKMASA-N 2 1 254.418 2.131 10 0 CEAEMP [NH3+]Cc1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000069401482 527254763 /nfs/dbraw/zinc/25/47/63/527254763.db2.gz VMMVNAFACNNRSV-HOTGVXAUSA-N 2 1 278.371 2.428 10 0 CEAEMP [NH3+]Cc1ccc(F)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000069401482 527254767 /nfs/dbraw/zinc/25/47/67/527254767.db2.gz VMMVNAFACNNRSV-HOTGVXAUSA-N 2 1 278.371 2.428 10 0 CEAEMP Cc1[nH+]ccn1CCOc1cccc2c1CC[C@H]2[NH3+] ZINC000062798271 527434817 /nfs/dbraw/zinc/43/48/17/527434817.db2.gz SJXHAHPEOVYYFJ-CQSZACIVSA-N 2 1 257.337 2.217 10 0 CEAEMP CC(C)[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2F)CC1 ZINC000087535434 534990331 /nfs/dbraw/zinc/99/03/31/534990331.db2.gz MMUKHTFMRWWWHG-CQSZACIVSA-N 2 1 279.403 2.179 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757150392 574510742 /nfs/dbraw/zinc/51/07/42/574510742.db2.gz XVMQVWRTPUDRSO-VIFPVBQESA-N 2 1 262.344 2.267 10 0 CEAEMP c1ccc(C[N@@H+]2CCCC[C@@H](CN[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000261560402 623378772 /nfs/dbraw/zinc/37/87/72/623378772.db2.gz ZWIQATSHKBIPIQ-ZWKOTPCHSA-N 2 1 287.451 2.240 10 0 CEAEMP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398947899 628766045 /nfs/dbraw/zinc/76/60/45/628766045.db2.gz AJPYUSYFJWAHQO-HZPDHXFCSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399157164 628781420 /nfs/dbraw/zinc/78/14/20/628781420.db2.gz DIULONDVVJAKEL-ZFWWWQNUSA-N 2 1 254.418 2.002 10 0 CEAEMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@H]3CC[NH2+]C3)C2)cc1 ZINC000261560399 628939151 /nfs/dbraw/zinc/93/91/51/628939151.db2.gz ZWIQATSHKBIPIQ-MSOLQXFVSA-N 2 1 287.451 2.240 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc4ccccc4s3)C[C@H]12 ZINC000261670017 628980759 /nfs/dbraw/zinc/98/07/59/628980759.db2.gz ZZINYJUPGGCXQX-SDDRHHMPSA-N 2 1 273.405 2.465 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc4ccccc4s3)C[C@H]12 ZINC000261670017 628980763 /nfs/dbraw/zinc/98/07/63/628980763.db2.gz ZZINYJUPGGCXQX-SDDRHHMPSA-N 2 1 273.405 2.465 10 0 CEAEMP C[C@]1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCC[NH2+]C1 ZINC000062862883 639788953 /nfs/dbraw/zinc/78/89/53/639788953.db2.gz HGALWXJVSFPCNF-KKUMJFAQSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@]1(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CCC[NH2+]C1 ZINC000062862883 639788957 /nfs/dbraw/zinc/78/89/57/639788957.db2.gz HGALWXJVSFPCNF-KKUMJFAQSA-N 2 1 252.402 2.020 10 0 CEAEMP C[N@@H+](Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231454354 639854329 /nfs/dbraw/zinc/85/43/29/639854329.db2.gz CTTXWFBSVXRRNA-OAHLLOKOSA-N 2 1 260.381 2.195 10 0 CEAEMP CCc1nn(C)cc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000125523153 187189326 /nfs/dbraw/zinc/18/93/26/187189326.db2.gz QXKYWTPJMLMVNB-ZFWWWQNUSA-N 2 1 278.444 2.383 10 0 CEAEMP CCC[N@@H+](CCCC[NH3+])[C@@H]1COc2cccc(OC)c2C1 ZINC000095831760 344237550 /nfs/dbraw/zinc/23/75/50/344237550.db2.gz ASKCPGCSHZDHDQ-AWEZNQCLSA-N 2 1 292.423 2.450 10 0 CEAEMP C[C@@H]1[C@H](N2CC[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000306886814 344718344 /nfs/dbraw/zinc/71/83/44/344718344.db2.gz SYRMWXVCJJWKNF-NVXWUHKLSA-N 2 1 287.451 2.333 10 0 CEAEMP C[N@@H+](Cc1cccc2c1OCO2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328657010 344757792 /nfs/dbraw/zinc/75/77/92/344757792.db2.gz ZXEWTEIMQOQKQB-CYBMUJFWSA-N 2 1 299.374 2.306 10 0 CEAEMP C[N@H+](Cc1cccc2c1OCO2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328657010 344757794 /nfs/dbraw/zinc/75/77/94/344757794.db2.gz ZXEWTEIMQOQKQB-CYBMUJFWSA-N 2 1 299.374 2.306 10 0 CEAEMP C[N@@H+](Cc1cnn2ccccc12)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328630925 344756230 /nfs/dbraw/zinc/75/62/30/344756230.db2.gz JXCBCFIJXOQGQA-CQSZACIVSA-N 2 1 295.390 2.225 10 0 CEAEMP C[N@H+](Cc1cnn2ccccc12)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328630925 344756233 /nfs/dbraw/zinc/75/62/33/344756233.db2.gz JXCBCFIJXOQGQA-CQSZACIVSA-N 2 1 295.390 2.225 10 0 CEAEMP CCC1CCC([N@@H+](C)CCC[C@](C)(O)C[NH3+])CC1 ZINC000085301588 179010157 /nfs/dbraw/zinc/01/01/57/179010157.db2.gz MCWTXJFMIHFONO-NRXISQOPSA-N 2 1 256.434 2.377 10 0 CEAEMP CC(C)CO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1(C)C ZINC000085400649 179052035 /nfs/dbraw/zinc/05/20/35/179052035.db2.gz JONBWYBHFHGVQB-KKUMJFAQSA-N 2 1 268.445 2.367 10 0 CEAEMP c1cnn(CC[N@H+]2CCCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC000085403700 179053296 /nfs/dbraw/zinc/05/32/96/179053296.db2.gz ASQWGLXKKLOZKV-MRXNPFEDSA-N 2 1 276.428 2.127 10 0 CEAEMP C[N@H+]1CCC[C@@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572139 179097612 /nfs/dbraw/zinc/09/76/12/179097612.db2.gz HRGGAZWSDOUBBM-GFCCVEGCSA-N 2 1 276.428 2.093 10 0 CEAEMP CC[N@H+]1CCC[C@H]1Cn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085568683 179095046 /nfs/dbraw/zinc/09/50/46/179095046.db2.gz WTXYTZPEZGFRIU-ZDUSSCGKSA-N 2 1 276.428 2.137 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCC(F)(F)F ZINC000085626444 179106806 /nfs/dbraw/zinc/10/68/06/179106806.db2.gz WYTPFTUXWDDKNA-ONGXEEELSA-N 2 1 250.308 2.401 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1CCC(F)(F)F ZINC000085626444 179106809 /nfs/dbraw/zinc/10/68/09/179106809.db2.gz WYTPFTUXWDDKNA-ONGXEEELSA-N 2 1 250.308 2.401 10 0 CEAEMP C[C@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000111273206 136561354 /nfs/dbraw/zinc/56/13/54/136561354.db2.gz NKDPNUYZFDNFSP-KBPBESRZSA-N 2 1 293.842 2.318 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086172523 179244098 /nfs/dbraw/zinc/24/40/98/179244098.db2.gz QGASANBRWDEDOY-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[C@@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146718 179238806 /nfs/dbraw/zinc/23/88/06/179238806.db2.gz NMSASDWPCUKWEC-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146718 179238808 /nfs/dbraw/zinc/23/88/08/179238808.db2.gz NMSASDWPCUKWEC-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146718 179238810 /nfs/dbraw/zinc/23/88/10/179238810.db2.gz NMSASDWPCUKWEC-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146718 179238811 /nfs/dbraw/zinc/23/88/11/179238811.db2.gz NMSASDWPCUKWEC-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146718 179238812 /nfs/dbraw/zinc/23/88/12/179238812.db2.gz NMSASDWPCUKWEC-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[C@@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223178 179252563 /nfs/dbraw/zinc/25/25/63/179252563.db2.gz UUWDXNWAEUYIHU-OAGGEKHMSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224013 179253796 /nfs/dbraw/zinc/25/37/96/179253796.db2.gz GCKFSOSLVDFSLD-HRCADAONSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@]1(C)CN([C@@H]2CC[N@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259595 179258178 /nfs/dbraw/zinc/25/81/78/179258178.db2.gz PJDKVFQODQMQJL-IXDOHACOSA-N 2 1 279.472 2.322 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CCCC[N@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086259350 179258348 /nfs/dbraw/zinc/25/83/48/179258348.db2.gz SKDWAHDFPPVYNS-JYJNAYRXSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259340 179258646 /nfs/dbraw/zinc/25/86/46/179258646.db2.gz RZVUWVANHKMODE-JYJNAYRXSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260730 179259724 /nfs/dbraw/zinc/25/97/24/179259724.db2.gz TXOHEJOTPDKCFQ-BPQIPLTHSA-N 2 1 293.499 2.425 10 0 CEAEMP CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261063 179259737 /nfs/dbraw/zinc/25/97/37/179259737.db2.gz LDCLFJYJWFZDJN-CVEARBPZSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCCC[NH+](C)C ZINC000086261063 179259739 /nfs/dbraw/zinc/25/97/39/179259739.db2.gz LDCLFJYJWFZDJN-CVEARBPZSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086260752 179259964 /nfs/dbraw/zinc/25/99/64/179259964.db2.gz QVBREKUBJAPEHT-BBWFWOEESA-N 2 1 281.488 2.425 10 0 CEAEMP Fc1ccccc1CC[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086285759 179263397 /nfs/dbraw/zinc/26/33/97/179263397.db2.gz YNGPCYAOVWKLAU-INIZCTEOSA-N 2 1 262.372 2.442 10 0 CEAEMP Fc1ccccc1CC[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086285759 179263399 /nfs/dbraw/zinc/26/33/99/179263399.db2.gz YNGPCYAOVWKLAU-INIZCTEOSA-N 2 1 262.372 2.442 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288187 179264735 /nfs/dbraw/zinc/26/47/35/179264735.db2.gz XNSRYPMAXQESFA-HNNXBMFYSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258987 179256494 /nfs/dbraw/zinc/25/64/94/179256494.db2.gz OCCCFKPOWXVNRM-IRXDYDNUSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CC1CC[NH+](C)CC1 ZINC000086258987 179256497 /nfs/dbraw/zinc/25/64/97/179256497.db2.gz OCCCFKPOWXVNRM-IRXDYDNUSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291661 179266136 /nfs/dbraw/zinc/26/61/36/179266136.db2.gz LMBVTENBKFTTNN-JYJNAYRXSA-N 2 1 267.461 2.181 10 0 CEAEMP COC[C@H](C)C[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293193 179266477 /nfs/dbraw/zinc/26/64/77/179266477.db2.gz MQPJRMMRXCWHFN-CQSZACIVSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293502 179267526 /nfs/dbraw/zinc/26/75/26/179267526.db2.gz NLBYXSPJTXIWOZ-BARDWOONSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@H]1CCCc2sc(N3CC[NH+](C)CC3)nc21 ZINC000086442151 179293824 /nfs/dbraw/zinc/29/38/24/179293824.db2.gz GAFJRJUANDIAIB-LBPRGKRZSA-N 2 1 294.468 2.272 10 0 CEAEMP CCN(c1ccccc1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819231 179348457 /nfs/dbraw/zinc/34/84/57/179348457.db2.gz BAACUYMLPNRWEJ-INIZCTEOSA-N 2 1 261.413 2.326 10 0 CEAEMP COCc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818818 179346821 /nfs/dbraw/zinc/34/68/21/179346821.db2.gz JXMAHYGOCIJNIY-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(CC)CC)CC1 ZINC000086839905 179351430 /nfs/dbraw/zinc/35/14/30/179351430.db2.gz GHZNBCXVTKVVPC-LSDHHAIUSA-N 2 1 283.460 2.097 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(CC)CC)CC1 ZINC000086839905 179351434 /nfs/dbraw/zinc/35/14/34/179351434.db2.gz GHZNBCXVTKVVPC-LSDHHAIUSA-N 2 1 283.460 2.097 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCCc2c[nH]nc2C)CC1 ZINC000086843821 179352587 /nfs/dbraw/zinc/35/25/87/179352587.db2.gz VECHIAPVTCUARQ-OAHLLOKOSA-N 2 1 264.417 2.115 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868228 179360227 /nfs/dbraw/zinc/36/02/27/179360227.db2.gz IRPQZZDMTQEXCZ-OAHLLOKOSA-N 2 1 254.418 2.146 10 0 CEAEMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086851067 179358935 /nfs/dbraw/zinc/35/89/35/179358935.db2.gz QODXCGNIVPCJOH-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH2+][C@@H](CSC(C)C)Cc1c[nH+]ccc1N ZINC000087113481 179395621 /nfs/dbraw/zinc/39/56/21/179395621.db2.gz BCAFAFPZGOVDAA-GFCCVEGCSA-N 2 1 253.415 2.326 10 0 CEAEMP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc(CCO)cc1 ZINC000616625538 348538348 /nfs/dbraw/zinc/53/83/48/348538348.db2.gz PNNNQRWHDJZMPE-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc(CCO)cc1 ZINC000616625538 348538351 /nfs/dbraw/zinc/53/83/51/348538351.db2.gz PNNNQRWHDJZMPE-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP C[NH2+]C[C@H](OC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000088166348 179561441 /nfs/dbraw/zinc/56/14/41/179561441.db2.gz TVBJODZENFKBMU-CVEARBPZSA-N 2 1 262.397 2.448 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](CCC)CC1CC1 ZINC000090566419 180005518 /nfs/dbraw/zinc/00/55/18/180005518.db2.gz FWYXDGBFEBFZIN-CABCVRRESA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566572 180006303 /nfs/dbraw/zinc/00/63/03/180006303.db2.gz OHLXFIMDKJQNKN-GDBMZVCRSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)CCc1ccccc1 ZINC000090567215 180006371 /nfs/dbraw/zinc/00/63/71/180006371.db2.gz CVFNZEFDSFSCRR-DLBZAZTESA-N 2 1 276.424 2.176 10 0 CEAEMP CCC(CC)(C[NH3+])[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000090874050 180049701 /nfs/dbraw/zinc/04/97/01/180049701.db2.gz HYECZPWPZNTTKM-CQSZACIVSA-N 2 1 262.397 2.439 10 0 CEAEMP CCC(CC)(C[NH3+])[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000090874050 180049704 /nfs/dbraw/zinc/04/97/04/180049704.db2.gz HYECZPWPZNTTKM-CQSZACIVSA-N 2 1 262.397 2.439 10 0 CEAEMP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878332 180051718 /nfs/dbraw/zinc/05/17/18/180051718.db2.gz DVYXFIKZNFAUTB-HIFRSBDPSA-N 2 1 274.408 2.453 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900115 180059107 /nfs/dbraw/zinc/05/91/07/180059107.db2.gz PPKAXCSICBSBIM-FZMZJTMJSA-N 2 1 280.799 2.185 10 0 CEAEMP CC(C)[C@H](CC[NH3+])CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908687 180062467 /nfs/dbraw/zinc/06/24/67/180062467.db2.gz IQZBUUCPXHRZFL-SOUVJXGZSA-N 2 1 254.418 2.251 10 0 CEAEMP CC(C)C[NH2+]Cc1cccn1C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000091001807 180083422 /nfs/dbraw/zinc/08/34/22/180083422.db2.gz FSCOAWHMZRNZPT-QGZVFWFLSA-N 2 1 293.455 2.343 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019734 180088322 /nfs/dbraw/zinc/08/83/22/180088322.db2.gz DUTBIGTUQHOLAZ-RYUDHWBXSA-N 2 1 258.369 2.122 10 0 CEAEMP C[NH2+]Cc1cccc2c1ccn2Cc1c[nH+]cn1C ZINC000091278751 180121028 /nfs/dbraw/zinc/12/10/28/180121028.db2.gz YKZWYJUKVBCXEA-UHFFFAOYSA-N 2 1 254.337 2.143 10 0 CEAEMP C[N@@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccccc1 ZINC000091291968 180123206 /nfs/dbraw/zinc/12/32/06/180123206.db2.gz JDINZVQYQNRGAD-AWEZNQCLSA-N 2 1 250.411 2.214 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490560 180170112 /nfs/dbraw/zinc/17/01/12/180170112.db2.gz UXSNZQSQGADDKF-GRAKBVBRSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@@](C)(CC)[NH+](C)C ZINC000091570973 180195570 /nfs/dbraw/zinc/19/55/70/180195570.db2.gz ZTTPRWIYUFAGNK-GDBMZVCRSA-N 2 1 295.475 2.185 10 0 CEAEMP CC[C@@](C)([C@H]([NH3+])Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604447 180203061 /nfs/dbraw/zinc/20/30/61/180203061.db2.gz UQPORGAQIQSKES-ZBFHGGJFSA-N 2 1 293.459 2.068 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606343 180204749 /nfs/dbraw/zinc/20/47/49/180204749.db2.gz FJLBMOWLXNOODC-ZBFHGGJFSA-N 2 1 276.428 2.059 10 0 CEAEMP CC[C@@](C)([C@@H]([NH3+])Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609299 180205251 /nfs/dbraw/zinc/20/52/51/180205251.db2.gz OIEWWWQZPLNBCI-HOTGVXAUSA-N 2 1 278.444 2.253 10 0 CEAEMP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C(CC)(CC)N(C)C ZINC000091614680 180207706 /nfs/dbraw/zinc/20/77/06/180207706.db2.gz ZXJAXDWOWKQWGG-OAHLLOKOSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[NH+](CC)C1([C@H](N)Cc2cc[nH+]c(N)c2)CCCC1 ZINC000091639092 180211872 /nfs/dbraw/zinc/21/18/72/180211872.db2.gz OMTGAJQZRVMZDJ-CQSZACIVSA-N 2 1 276.428 2.188 10 0 CEAEMP c1ccc(CCC[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091666175 180222395 /nfs/dbraw/zinc/22/23/95/180222395.db2.gz KTXSPLHPBLUPEK-SJORKVTESA-N 2 1 274.408 2.072 10 0 CEAEMP c1ccc(CCC[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091666175 180222397 /nfs/dbraw/zinc/22/23/97/180222397.db2.gz KTXSPLHPBLUPEK-SJORKVTESA-N 2 1 274.408 2.072 10 0 CEAEMP Cc1ccc(C)c(C[C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720585 180236531 /nfs/dbraw/zinc/23/65/31/180236531.db2.gz JILSWROLSNWTIM-IKGGRYGDSA-N 2 1 274.408 2.036 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721527 180237999 /nfs/dbraw/zinc/23/79/99/180237999.db2.gz RFKWTMUIYCCFHO-DJIMGWMZSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1F)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721527 180238001 /nfs/dbraw/zinc/23/80/01/180238001.db2.gz RFKWTMUIYCCFHO-DJIMGWMZSA-N 2 1 292.398 2.210 10 0 CEAEMP C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721287 180238571 /nfs/dbraw/zinc/23/85/71/180238571.db2.gz OWQFECWTKBGUKE-FVQBIDKESA-N 2 1 294.826 2.334 10 0 CEAEMP C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721287 180238573 /nfs/dbraw/zinc/23/85/73/180238573.db2.gz OWQFECWTKBGUKE-FVQBIDKESA-N 2 1 294.826 2.334 10 0 CEAEMP Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C1CC1 ZINC000091723154 180241357 /nfs/dbraw/zinc/24/13/57/180241357.db2.gz LFKIHHXDPBCYTJ-CHWSQXEVSA-N 2 1 293.436 2.239 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCCN(C)CC1 ZINC000091849843 180272348 /nfs/dbraw/zinc/27/23/48/180272348.db2.gz UBMGGQKDSCGHPA-SLTAFYQDSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC000091849843 180272349 /nfs/dbraw/zinc/27/23/49/180272349.db2.gz UBMGGQKDSCGHPA-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC000091849843 180272352 /nfs/dbraw/zinc/27/23/52/180272352.db2.gz UBMGGQKDSCGHPA-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@H+](C)CC1 ZINC000091849843 180272355 /nfs/dbraw/zinc/27/23/55/180272355.db2.gz UBMGGQKDSCGHPA-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC000091849843 180272357 /nfs/dbraw/zinc/27/23/57/180272357.db2.gz UBMGGQKDSCGHPA-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CCC[N@@H+](CCCn1ccnc1)C1CCC([NH3+])CC1 ZINC000091852347 180273182 /nfs/dbraw/zinc/27/31/82/180273182.db2.gz LZRLMJHXESXJNA-UHFFFAOYSA-N 2 1 264.417 2.255 10 0 CEAEMP CC(C)[C@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091844001 180269374 /nfs/dbraw/zinc/26/93/74/180269374.db2.gz LAYPZJAHGSFMDH-NEXFUWMNSA-N 2 1 254.418 2.392 10 0 CEAEMP CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1CCC([NH3+])CC1 ZINC000091850707 180272011 /nfs/dbraw/zinc/27/20/11/180272011.db2.gz SKSNZGMUQKSAAP-UHFFFAOYSA-N 2 1 283.460 2.224 10 0 CEAEMP CC[N@@H+](Cc1cn2ccccc2n1)C1CCC([NH3+])CC1 ZINC000091849721 180272290 /nfs/dbraw/zinc/27/22/90/180272290.db2.gz MPKPAVDVTMHJBC-UHFFFAOYSA-N 2 1 272.396 2.426 10 0 CEAEMP CC[C@H]1C[C@@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871215 180276932 /nfs/dbraw/zinc/27/69/32/180276932.db2.gz YBAPTFZJTLQDPF-WUCCLRPBSA-N 2 1 254.418 2.406 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)NC(C)C)CC1 ZINC000091870213 180277312 /nfs/dbraw/zinc/27/73/12/180277312.db2.gz CRBSCFRLNMZBGI-NFOMZHRRSA-N 2 1 283.460 2.142 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2ccccc2C)CC1 ZINC000091870546 180277349 /nfs/dbraw/zinc/27/73/49/180277349.db2.gz DGXNKDYPJIVLOE-UHFFFAOYSA-N 2 1 289.423 2.396 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@@H](O)COC(C)C)CC1 ZINC000091870055 180277379 /nfs/dbraw/zinc/27/73/79/180277379.db2.gz SRLYOFGENIWCTO-UYSNPLJNSA-N 2 1 286.460 2.015 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC000091870660 180277521 /nfs/dbraw/zinc/27/75/21/180277521.db2.gz JVQLMEATVXUTBJ-UYSNPLJNSA-N 2 1 274.408 2.453 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000091870026 180277539 /nfs/dbraw/zinc/27/75/39/180277539.db2.gz VQHGJMJJQRWECV-UHFFFAOYSA-N 2 1 264.417 2.163 10 0 CEAEMP CCC(CC)(C[NH2+]C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092002955 180304630 /nfs/dbraw/zinc/30/46/30/180304630.db2.gz AQDOCPLFRAMXJF-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+]CC1(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000092003005 180304652 /nfs/dbraw/zinc/30/46/52/180304652.db2.gz MRYXDFMRJINSJK-CVEARBPZSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]([NH3+])c1cccc(SC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000092080086 180318432 /nfs/dbraw/zinc/31/84/32/180318432.db2.gz VIYDFLDUBJJZJF-YPMHNXCESA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@@H]([NH3+])c1cccc(SC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000092080086 180318434 /nfs/dbraw/zinc/31/84/34/180318434.db2.gz VIYDFLDUBJJZJF-YPMHNXCESA-N 2 1 266.410 2.129 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319318 /nfs/dbraw/zinc/31/93/18/180319318.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 2 1 267.461 2.166 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319319 /nfs/dbraw/zinc/31/93/19/180319319.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 2 1 267.461 2.166 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319320 /nfs/dbraw/zinc/31/93/20/180319320.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 2 1 267.461 2.166 10 0 CEAEMP CC(C)[NH+]1CCC[C@@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319321 /nfs/dbraw/zinc/31/93/21/180319321.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 2 1 267.461 2.166 10 0 CEAEMP CC(C)[NH+]1CCC[C@@](CN)([N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319322 /nfs/dbraw/zinc/31/93/22/180319322.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 2 1 267.461 2.166 10 0 CEAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302670 180359331 /nfs/dbraw/zinc/35/93/31/180359331.db2.gz AZPUGXIHNJPWOH-LSDHHAIUSA-N 2 1 274.408 2.484 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2c(C)noc2C)C1 ZINC000092339869 180365301 /nfs/dbraw/zinc/36/53/01/180365301.db2.gz IXHPPYHSNGYHNR-AAEUAGOBSA-N 2 1 251.374 2.284 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2c(C)noc2C)C1 ZINC000092339869 180365303 /nfs/dbraw/zinc/36/53/03/180365303.db2.gz IXHPPYHSNGYHNR-AAEUAGOBSA-N 2 1 251.374 2.284 10 0 CEAEMP COc1ccc2c(c1)[C@@H]([N@@H+]1CCC[NH2+]CC1)CCC2 ZINC000092387138 180374439 /nfs/dbraw/zinc/37/44/39/180374439.db2.gz KMCMGDRCRNLZGX-INIZCTEOSA-N 2 1 260.381 2.368 10 0 CEAEMP COc1ccc2c(c1)[C@@H]([N@H+]1CCC[NH2+]CC1)CCC2 ZINC000092387138 180374440 /nfs/dbraw/zinc/37/44/40/180374440.db2.gz KMCMGDRCRNLZGX-INIZCTEOSA-N 2 1 260.381 2.368 10 0 CEAEMP CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])C1 ZINC000109684680 186269144 /nfs/dbraw/zinc/26/91/44/186269144.db2.gz ISUZKRBSERKQTD-RBSFLKMASA-N 2 1 282.428 2.169 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000110370620 186294558 /nfs/dbraw/zinc/29/45/58/186294558.db2.gz SDWVAGPRPIDFIV-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000110370620 186294559 /nfs/dbraw/zinc/29/45/59/186294559.db2.gz SDWVAGPRPIDFIV-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccc(C)cc2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703760 186314301 /nfs/dbraw/zinc/31/43/01/186314301.db2.gz MTFWTTXJOQEDSZ-DJIMGWMZSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2)CC[N@H+]1C ZINC000110703800 186314815 /nfs/dbraw/zinc/31/48/15/186314815.db2.gz IOYQCNVWIJIRCA-CVEARBPZSA-N 2 1 261.413 2.021 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2cccc3ccccc32)CC[N@H+]1C ZINC000110708473 186315008 /nfs/dbraw/zinc/31/50/08/186315008.db2.gz LUMXZPOGNXNPQA-KDOFPFPSSA-N 2 1 283.419 2.476 10 0 CEAEMP CC(C)c1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000110712416 186315556 /nfs/dbraw/zinc/31/55/56/186315556.db2.gz UUPHYJDMWJHDRR-YOEHRIQHSA-N 2 1 275.440 2.446 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717336 186315575 /nfs/dbraw/zinc/31/55/75/186315575.db2.gz JCRKTGOWYGNBMN-GJZGRUSLSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716612 186315657 /nfs/dbraw/zinc/31/56/57/186315657.db2.gz GIUHMODRFGMGJH-DLBZAZTESA-N 2 1 287.451 2.288 10 0 CEAEMP CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC[N@H+]1C ZINC000110715227 186316063 /nfs/dbraw/zinc/31/60/63/186316063.db2.gz ROGZOVVTPFURRA-UAGQMJEPSA-N 2 1 273.424 2.027 10 0 CEAEMP CC[C@@H]1CN(C2(C[NH3+])CCCCCC2)CC[N@H+]1C ZINC000110711109 186316095 /nfs/dbraw/zinc/31/60/95/186316095.db2.gz ORTNDBMAUBUWHQ-CQSZACIVSA-N 2 1 253.434 2.064 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110711571 186316695 /nfs/dbraw/zinc/31/66/95/186316695.db2.gz YOQNYQAMXDABHW-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[N@H+]1CCN(CC2(C[NH2+]C3CC3)CCCC2)C[C@@H]1C ZINC000110745617 186318720 /nfs/dbraw/zinc/31/87/20/186318720.db2.gz QDNGPLOLKRKBKH-HNNXBMFYSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@H]1CN(CC(C)(C)C[NH2+]CC(C)C)CC[N@H+]1C ZINC000110746644 186318968 /nfs/dbraw/zinc/31/89/68/186318968.db2.gz UBCAPFXQLSQEDP-HNNXBMFYSA-N 2 1 269.477 2.284 10 0 CEAEMP CC[C@@H]1CN([C@@H](C)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110754363 186319776 /nfs/dbraw/zinc/31/97/76/186319776.db2.gz QLMYOEIKACBRPR-UONOGXRCSA-N 2 1 255.450 2.179 10 0 CEAEMP CCC[C@@]1(CN2CC[N@@H+](C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763028 186323304 /nfs/dbraw/zinc/32/33/04/186323304.db2.gz CLWXMBSBLDRPJB-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[C@@]1(C[N@@H+]2CCN(C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763028 186323305 /nfs/dbraw/zinc/32/33/05/186323305.db2.gz CLWXMBSBLDRPJB-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[C@@]1(C[N@H+]2CCN(C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763028 186323306 /nfs/dbraw/zinc/32/33/06/186323306.db2.gz CLWXMBSBLDRPJB-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@H+](Cc1ccc(C[NH3+])cc1F)CC1CCOCC1 ZINC000111157452 186361384 /nfs/dbraw/zinc/36/13/84/186361384.db2.gz KSOJMPGHCWGRKW-UHFFFAOYSA-N 2 1 266.360 2.143 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157298 186361461 /nfs/dbraw/zinc/36/14/61/186361461.db2.gz AQJIZVLKFDDBEU-RRFJBIMHSA-N 2 1 254.418 2.252 10 0 CEAEMP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)CCN(C)C)cc1 ZINC000111149899 186359983 /nfs/dbraw/zinc/35/99/83/186359983.db2.gz RZFFRDYXUYQTOU-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)CCN(C)C)cc1 ZINC000111149899 186359985 /nfs/dbraw/zinc/35/99/85/186359985.db2.gz RZFFRDYXUYQTOU-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171737 186364780 /nfs/dbraw/zinc/36/47/80/186364780.db2.gz BNQBTMKJYYITSY-ZNMIVQPWSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC1(C[N@@H+](C)C[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000111179190 186366702 /nfs/dbraw/zinc/36/67/02/186366702.db2.gz BWUAENDPGXAXNY-CQSZACIVSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327408 186398855 /nfs/dbraw/zinc/39/88/55/186398855.db2.gz GJPBOACUUIPACI-QGZVFWFLSA-N 2 1 298.471 2.020 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325454 186398939 /nfs/dbraw/zinc/39/89/39/186398939.db2.gz DBVXUIUELQRZIX-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000178302069 189105446 /nfs/dbraw/zinc/10/54/46/189105446.db2.gz YTBXDLVVDWIDSY-OAHLLOKOSA-N 2 1 256.353 2.251 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000178302069 189105447 /nfs/dbraw/zinc/10/54/47/189105447.db2.gz YTBXDLVVDWIDSY-OAHLLOKOSA-N 2 1 256.353 2.251 10 0 CEAEMP CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178325302 189107439 /nfs/dbraw/zinc/10/74/39/189107439.db2.gz QKQPLWSNCMBFRY-OAHLLOKOSA-N 2 1 293.411 2.389 10 0 CEAEMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178325302 189107440 /nfs/dbraw/zinc/10/74/40/189107440.db2.gz QKQPLWSNCMBFRY-OAHLLOKOSA-N 2 1 293.411 2.389 10 0 CEAEMP C[N@@H+](Cc1ccnc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000095071153 364331356 /nfs/dbraw/zinc/33/13/56/364331356.db2.gz IMPZBJNGHMLPOE-LBPRGKRZSA-N 2 1 298.228 2.276 10 0 CEAEMP C[N@H+](Cc1ccnc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000095071153 364331363 /nfs/dbraw/zinc/33/13/63/364331363.db2.gz IMPZBJNGHMLPOE-LBPRGKRZSA-N 2 1 298.228 2.276 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000631841174 367583146 /nfs/dbraw/zinc/58/31/46/367583146.db2.gz ZGSTTWYMXCBVRD-GXTWGEPZSA-N 2 1 271.364 2.368 10 0 CEAEMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000262590668 284006610 /nfs/dbraw/zinc/00/66/10/284006610.db2.gz UTLACDMGIJSFLR-ZOBUZTSGSA-N 2 1 289.423 2.066 10 0 CEAEMP CCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000246513168 370971219 /nfs/dbraw/zinc/97/12/19/370971219.db2.gz QQTDSRSFUXGIOQ-KGLIPLIRSA-N 2 1 283.460 2.131 10 0 CEAEMP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000220360660 370232334 /nfs/dbraw/zinc/23/23/34/370232334.db2.gz AGXLLQHNNQSFJH-QZTJIDSGSA-N 2 1 287.451 2.192 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792259 371734389 /nfs/dbraw/zinc/73/43/89/371734389.db2.gz GHECCHOIYBJQQP-DZUCGIPZSA-N 2 1 280.456 2.248 10 0 CEAEMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1 ZINC000261886505 371760662 /nfs/dbraw/zinc/76/06/62/371760662.db2.gz ZENVQUIDQZIOMC-ZBFHGGJFSA-N 2 1 271.364 2.157 10 0 CEAEMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1 ZINC000261886505 371760669 /nfs/dbraw/zinc/76/06/69/371760669.db2.gz ZENVQUIDQZIOMC-ZBFHGGJFSA-N 2 1 271.364 2.157 10 0 CEAEMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261992558 371792568 /nfs/dbraw/zinc/79/25/68/371792568.db2.gz SWZISMBYKYLIJE-RCCFBDPRSA-N 2 1 288.435 2.284 10 0 CEAEMP C1C[C@@H]([NH2+]C2CCCCC2)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000261918332 371770041 /nfs/dbraw/zinc/77/00/41/371770041.db2.gz JXXHLSPEDWPDEU-ZNMIVQPWSA-N 2 1 252.402 2.066 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000262030415 371803367 /nfs/dbraw/zinc/80/33/67/371803367.db2.gz XLMRWFINGUEPLQ-KFWWJZLASA-N 2 1 280.437 2.303 10 0 CEAEMP FC(F)(F)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000643456595 373126112 /nfs/dbraw/zinc/12/61/12/373126112.db2.gz LYSKBHDZBFGTCK-GFCCVEGCSA-N 2 1 258.287 2.199 10 0 CEAEMP CC(C)Oc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643471819 373140701 /nfs/dbraw/zinc/14/07/01/373140701.db2.gz DMWLRJRWBPPPBX-UONOGXRCSA-N 2 1 277.412 2.347 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCCC[N@@H+](C)CC1CC1 ZINC000085241289 184608919 /nfs/dbraw/zinc/60/89/19/184608919.db2.gz OMTNZFPXUDBTCJ-OAHLLOKOSA-N 2 1 256.434 2.249 10 0 CEAEMP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000093491454 184683541 /nfs/dbraw/zinc/68/35/41/184683541.db2.gz NJZZMRQYFFNYOX-HRCADAONSA-N 2 1 274.412 2.185 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1[C@@H](C[NH3+])C1CCCCC1 ZINC000094458275 184804690 /nfs/dbraw/zinc/80/46/90/184804690.db2.gz ZEBDPALZXTZZBP-BMFZPTHFSA-N 2 1 265.445 2.063 10 0 CEAEMP CCC[NH2+][C@](C)(CO)CCC[N@H+]1CCC(C)(C)C1 ZINC000094813598 184872861 /nfs/dbraw/zinc/87/28/61/184872861.db2.gz VUSPBOXIAQPCJE-HNNXBMFYSA-N 2 1 256.434 2.249 10 0 CEAEMP CC(C)[NH2+]Cc1cccnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094443186 135088566 /nfs/dbraw/zinc/08/85/66/135088566.db2.gz ITAVFVINNVOKCY-MRXNPFEDSA-N 2 1 288.439 2.254 10 0 CEAEMP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532344 394602012 /nfs/dbraw/zinc/60/20/12/394602012.db2.gz AGXLLQHNNQSFJH-MSOLQXFVSA-N 2 1 287.451 2.192 10 0 CEAEMP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000381719056 395177033 /nfs/dbraw/zinc/17/70/33/395177033.db2.gz RHXFGIHSIBUOPW-STQMWFEESA-N 2 1 258.356 2.497 10 0 CEAEMP C[C@@]1(CNC2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000397887051 395227875 /nfs/dbraw/zinc/22/78/75/395227875.db2.gz JPHRHWZVFOMXPT-SFHVURJKSA-N 3 1 287.451 2.383 10 0 CEAEMP CCOc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1O ZINC000298239611 395354183 /nfs/dbraw/zinc/35/41/83/395354183.db2.gz CDTVGOVTXJRKMN-UHFFFAOYSA-N 2 1 275.352 2.086 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@@H]12 ZINC000389156003 400536131 /nfs/dbraw/zinc/53/61/31/400536131.db2.gz YAIFTVRPCIQIOW-LXTVHRRPSA-N 2 1 264.413 2.147 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261890253 153870364 /nfs/dbraw/zinc/87/03/64/153870364.db2.gz GJIQUGMOZFDPPH-WQVCFCJDSA-N 2 1 296.361 2.212 10 0 CEAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000263230708 154039490 /nfs/dbraw/zinc/03/94/90/154039490.db2.gz NIOAYDKOHNVEJN-QAPCUYQASA-N 2 1 298.386 2.149 10 0 CEAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000263230709 154039598 /nfs/dbraw/zinc/03/95/98/154039598.db2.gz NIOAYDKOHNVEJN-YJBOKZPZSA-N 2 1 298.386 2.149 10 0 CEAEMP C[C@H](CCc1ccccc1)[N@H+]1CCO[C@H](CN(C)C)C1 ZINC000178617922 165252826 /nfs/dbraw/zinc/25/28/26/165252826.db2.gz PGDRWCBHZZOBRZ-NVXWUHKLSA-N 2 1 276.424 2.270 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022217921 171376454 /nfs/dbraw/zinc/37/64/54/171376454.db2.gz DTMXQBCIOHLASQ-BETUJISGSA-N 2 1 275.396 2.062 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000094074280 287268412 /nfs/dbraw/zinc/26/84/12/287268412.db2.gz UTXLNDOKVMZPEG-WLYUNCDWSA-N 3 1 253.434 2.110 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCO2)C1 ZINC000037210354 173033224 /nfs/dbraw/zinc/03/32/24/173033224.db2.gz PCMHQVNOOZQXSS-ILXRZTDVSA-N 2 1 254.418 2.266 10 0 CEAEMP CCN(CC)C(=O)CCC[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748251 174393037 /nfs/dbraw/zinc/39/30/37/174393037.db2.gz RIPSBXDHTHJUKI-XYPWUTKMSA-N 2 1 295.471 2.240 10 0 CEAEMP Cc1nccc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@@H+](C(C)C)C3)n1 ZINC000040769312 174399647 /nfs/dbraw/zinc/39/96/47/174399647.db2.gz BZHCZQHCFKWDLW-FKEKPDDDSA-N 2 1 288.439 2.384 10 0 CEAEMP Cc1nccc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@H+](C(C)C)C3)n1 ZINC000040769312 174399648 /nfs/dbraw/zinc/39/96/48/174399648.db2.gz BZHCZQHCFKWDLW-FKEKPDDDSA-N 2 1 288.439 2.384 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000309743090 414855952 /nfs/dbraw/zinc/85/59/52/414855952.db2.gz SPWOPCYVMWSNLU-KRWDZBQOSA-N 3 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000309743090 414855959 /nfs/dbraw/zinc/85/59/59/414855959.db2.gz SPWOPCYVMWSNLU-KRWDZBQOSA-N 3 1 287.451 2.240 10 0 CEAEMP C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCC[N@@H+](C)CC2)c1 ZINC000043818274 175112788 /nfs/dbraw/zinc/11/27/88/175112788.db2.gz VVGWJSIJLCLYDL-AWEZNQCLSA-N 2 1 291.439 2.113 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895185 175119308 /nfs/dbraw/zinc/11/93/08/175119308.db2.gz DROQSSPVKDRSHR-IMJJTQAJSA-N 2 1 296.455 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895185 175119310 /nfs/dbraw/zinc/11/93/10/175119310.db2.gz DROQSSPVKDRSHR-IMJJTQAJSA-N 2 1 296.455 2.381 10 0 CEAEMP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)CCOC)c1 ZINC000043916143 175125282 /nfs/dbraw/zinc/12/52/82/175125282.db2.gz PPVFQOAAAYZJRC-ZDUSSCGKSA-N 2 1 280.412 2.444 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@H](OCC)C1 ZINC000043971658 175132889 /nfs/dbraw/zinc/13/28/89/175132889.db2.gz UTITXHQSPPMKFP-RRFJBIMHSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H](OCC)C1 ZINC000043971658 175132890 /nfs/dbraw/zinc/13/28/90/175132890.db2.gz UTITXHQSPPMKFP-RRFJBIMHSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@@H]1CSC(NC[C@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000045136106 175313577 /nfs/dbraw/zinc/31/35/77/175313577.db2.gz FSDHSVFNMKMBTR-VXGBXAGGSA-N 2 1 255.431 2.188 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000045168321 175319566 /nfs/dbraw/zinc/31/95/66/175319566.db2.gz BCZQZNBYTSYTND-GFCCVEGCSA-N 2 1 264.417 2.173 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277427 175347803 /nfs/dbraw/zinc/34/78/03/175347803.db2.gz BGICBNCZEUVLSF-WBVHZDCISA-N 2 1 295.471 2.275 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277427 175347805 /nfs/dbraw/zinc/34/78/05/175347805.db2.gz BGICBNCZEUVLSF-WBVHZDCISA-N 2 1 295.471 2.275 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280627 175350707 /nfs/dbraw/zinc/35/07/07/175350707.db2.gz MRBCUDIPOGAEIJ-ZBCRRDGASA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280627 175350708 /nfs/dbraw/zinc/35/07/08/175350708.db2.gz MRBCUDIPOGAEIJ-ZBCRRDGASA-N 2 1 283.460 2.129 10 0 CEAEMP CCCC[N@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045370454 175364060 /nfs/dbraw/zinc/36/40/60/175364060.db2.gz XSPRCRFIDVSUCD-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045370454 175364061 /nfs/dbraw/zinc/36/40/61/175364061.db2.gz XSPRCRFIDVSUCD-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379680 175369219 /nfs/dbraw/zinc/36/92/19/175369219.db2.gz YKBCBSLJEXCSPX-VNHYZAJKSA-N 2 1 270.417 2.310 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379680 175369220 /nfs/dbraw/zinc/36/92/20/175369220.db2.gz YKBCBSLJEXCSPX-VNHYZAJKSA-N 2 1 270.417 2.310 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](CC)CC(C)C ZINC000045381670 175370132 /nfs/dbraw/zinc/37/01/32/175370132.db2.gz PPFNNOGGCQLEJN-OAHLLOKOSA-N 2 1 272.433 2.415 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045385871 175372255 /nfs/dbraw/zinc/37/22/55/175372255.db2.gz ZHZHOYCRYDGBOX-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045387486 175373331 /nfs/dbraw/zinc/37/33/31/175373331.db2.gz CUXPBAHTWKRCCV-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP C[N@@H+](CCCC[C@](C)([NH3+])C(N)=O)C1CCCCCC1 ZINC000045419135 175377356 /nfs/dbraw/zinc/37/73/56/175377356.db2.gz XDEPHZBSUZERJH-HNNXBMFYSA-N 2 1 269.433 2.014 10 0 CEAEMP CC(C)[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421038 175380314 /nfs/dbraw/zinc/38/03/14/175380314.db2.gz QPIYNKBIYMDYTR-XJKSGUPXSA-N 2 1 285.476 2.375 10 0 CEAEMP CCCCOCC[NH2+]CCn1cc[nH+]c1CCC ZINC000070425912 175922663 /nfs/dbraw/zinc/92/26/63/175922663.db2.gz HLCCEGFOSJTVSU-UHFFFAOYSA-N 2 1 253.390 2.242 10 0 CEAEMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000665299434 415687773 /nfs/dbraw/zinc/68/77/73/415687773.db2.gz MYKOSKNMLPKCNO-VHSXEESVSA-N 2 1 273.302 2.188 10 0 CEAEMP CCC[C@@H](C[NH3+])N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000070940869 176014514 /nfs/dbraw/zinc/01/45/14/176014514.db2.gz PNXCARDSSKYEMW-INIZCTEOSA-N 2 1 279.403 2.071 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000071124942 176035326 /nfs/dbraw/zinc/03/53/26/176035326.db2.gz UVLLSRNCUIABGT-GOEBONIOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000071124946 176035350 /nfs/dbraw/zinc/03/53/50/176035350.db2.gz UVLLSRNCUIABGT-HOCLYGCPSA-N 2 1 267.461 2.310 10 0 CEAEMP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071187848 176062192 /nfs/dbraw/zinc/06/21/92/176062192.db2.gz YNCLQNRWGQGTSC-BFYDXBDKSA-N 2 1 275.440 2.267 10 0 CEAEMP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071187915 176062297 /nfs/dbraw/zinc/06/22/97/176062297.db2.gz AHKUXAKTXWDQHC-NFAWXSAZSA-N 2 1 281.469 2.328 10 0 CEAEMP CCC1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000071188562 176062762 /nfs/dbraw/zinc/06/27/62/176062762.db2.gz IEYPIJMLPHYKOZ-HWOWSKLDSA-N 2 1 267.461 2.168 10 0 CEAEMP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C)c(C)c1 ZINC000071188877 176063406 /nfs/dbraw/zinc/06/34/06/176063406.db2.gz CKTDQSLUGRCQCZ-AEFFLSMTSA-N 2 1 289.467 2.447 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1ccccc1C[NH2+]C1CC1 ZINC000071190026 176065964 /nfs/dbraw/zinc/06/59/64/176065964.db2.gz FYELVKRCJKCWKS-CQSZACIVSA-N 2 1 273.424 2.327 10 0 CEAEMP CC[C@@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191994 176072010 /nfs/dbraw/zinc/07/20/10/176072010.db2.gz ZSAIXEUHQRQULU-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP Cc1ccc(NCC[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000071192435 176073771 /nfs/dbraw/zinc/07/37/71/176073771.db2.gz FSMWQPRLAIRZOA-HNNXBMFYSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccc(NCC[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000071192435 176073773 /nfs/dbraw/zinc/07/37/73/176073773.db2.gz FSMWQPRLAIRZOA-HNNXBMFYSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccc(NCC[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000071192435 176073776 /nfs/dbraw/zinc/07/37/76/176073776.db2.gz FSMWQPRLAIRZOA-HNNXBMFYSA-N 2 1 261.413 2.290 10 0 CEAEMP CC(C)C[NH2+]CCCCCC[N@H+]1CCCN(C)CC1 ZINC000071287542 176109578 /nfs/dbraw/zinc/10/95/78/176109578.db2.gz QBTVEFKLIUCUOG-UHFFFAOYSA-N 2 1 269.477 2.430 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+]1CC[C@@H](N(C)C)C1 ZINC000071289973 176110473 /nfs/dbraw/zinc/11/04/73/176110473.db2.gz HTULHSPQMVXUJD-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]CCCCCCN1CC[C@@H]([NH+](C)C)C1 ZINC000071289973 176110475 /nfs/dbraw/zinc/11/04/75/176110475.db2.gz HTULHSPQMVXUJD-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)CCN1CCCC1 ZINC000071402106 176154012 /nfs/dbraw/zinc/15/40/12/176154012.db2.gz VGCUAORDLJFVIT-QGZVFWFLSA-N 2 1 275.440 2.494 10 0 CEAEMP CN(CCC[C@@H]([NH3+])c1ccccc1)CC[NH+]1CCCC1 ZINC000071402106 176154013 /nfs/dbraw/zinc/15/40/13/176154013.db2.gz VGCUAORDLJFVIT-QGZVFWFLSA-N 2 1 275.440 2.494 10 0 CEAEMP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC000071401431 176154094 /nfs/dbraw/zinc/15/40/94/176154094.db2.gz HWLNINBMSCOVKU-HOTGVXAUSA-N 2 1 289.423 2.019 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC000078597024 177357849 /nfs/dbraw/zinc/35/78/49/177357849.db2.gz BRQYYLKRMZNCQO-UHFFFAOYSA-N 2 1 297.487 2.345 10 0 CEAEMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000398004121 270356330 /nfs/dbraw/zinc/35/63/30/270356330.db2.gz PMLAXQPBBDPLNT-DLBZAZTESA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000343518270 274283290 /nfs/dbraw/zinc/28/32/90/274283290.db2.gz SVCAQIMFSBRXCM-RGCMKSIDSA-N 2 1 254.418 2.262 10 0 CEAEMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637470 276334159 /nfs/dbraw/zinc/33/41/59/276334159.db2.gz MFZLQDIUEZUWDR-XUXIUFHCSA-N 2 1 254.418 2.120 10 0 CEAEMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268361 277160430 /nfs/dbraw/zinc/16/04/30/277160430.db2.gz AWSUADWUYANQIP-QWHCGFSZSA-N 2 1 258.356 2.449 10 0 CEAEMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268361 277160431 /nfs/dbraw/zinc/16/04/31/277160431.db2.gz AWSUADWUYANQIP-QWHCGFSZSA-N 2 1 258.356 2.449 10 0 CEAEMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268361 277160432 /nfs/dbraw/zinc/16/04/32/277160432.db2.gz AWSUADWUYANQIP-QWHCGFSZSA-N 2 1 258.356 2.449 10 0 CEAEMP C1C[C@@H]([NH2+]C2CCCCC2)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000261918331 277760001 /nfs/dbraw/zinc/76/00/01/277760001.db2.gz JXXHLSPEDWPDEU-RRFJBIMHSA-N 2 1 252.402 2.066 10 0 CEAEMP 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 280272696 /nfs/dbraw/zinc/27/26/96/280272696.db2.gz IHSGDPILJSBIKE-QKPAOTATSA-N 2 1 297.487 2.340 10 0 CEAEMP C[C@@H]([NH3+])CC[NH2+]Cc1ccccc1Br ZINC000258696425 280526488 /nfs/dbraw/zinc/52/64/88/280526488.db2.gz GIQHSWMNAFDZCH-SECBINFHSA-N 2 1 257.175 2.276 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648676 519736513 /nfs/dbraw/zinc/73/65/13/519736513.db2.gz JNWOPJWWLMBUKX-DOMZBBRYSA-N 2 1 280.416 2.200 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H]2CCSC2)O1 ZINC000052453612 519745430 /nfs/dbraw/zinc/74/54/30/519745430.db2.gz RHEVCHAKYNLSPB-ILXRZTDVSA-N 2 1 286.485 2.217 10 0 CEAEMP CC[NH2+]CCCCC[N@@H+](C)C1CCN(CC)CC1 ZINC000052544045 519918566 /nfs/dbraw/zinc/91/85/66/519918566.db2.gz RNBGMJJODKFLAZ-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052544045 519918569 /nfs/dbraw/zinc/91/85/69/519918569.db2.gz RNBGMJJODKFLAZ-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052544045 519918572 /nfs/dbraw/zinc/91/85/72/519918572.db2.gz RNBGMJJODKFLAZ-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CCC)C2CC2)O1 ZINC000052449225 519927014 /nfs/dbraw/zinc/92/70/14/519927014.db2.gz HBEPEUBKHQQUIT-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417348 519927753 /nfs/dbraw/zinc/92/77/53/519927753.db2.gz YULCFHODZZZWRQ-HNNXBMFYSA-N 2 1 261.413 2.197 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCCC[C@](C)(NC)C(=O)OC ZINC000069443253 521300279 /nfs/dbraw/zinc/30/02/79/521300279.db2.gz RFWDVNCVGFWXLT-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(C)(C)[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000069443253 521300285 /nfs/dbraw/zinc/30/02/85/521300285.db2.gz RFWDVNCVGFWXLT-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000069443253 521300295 /nfs/dbraw/zinc/30/02/95/521300295.db2.gz RFWDVNCVGFWXLT-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP C[C@H](CCN[C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354571 533943501 /nfs/dbraw/zinc/94/35/01/533943501.db2.gz AAJGSVPPXXTIAJ-RYRKJORJSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354571 533943506 /nfs/dbraw/zinc/94/35/06/533943506.db2.gz AAJGSVPPXXTIAJ-RYRKJORJSA-N 3 1 289.467 2.485 10 0 CEAEMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354571 533943510 /nfs/dbraw/zinc/94/35/10/533943510.db2.gz AAJGSVPPXXTIAJ-RYRKJORJSA-N 3 1 289.467 2.485 10 0 CEAEMP C(CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21)C[NH2+]C1CC1 ZINC000052573028 518382853 /nfs/dbraw/zinc/38/28/53/518382853.db2.gz GPKCXGAOXUPHDZ-LSDHHAIUSA-N 2 1 252.402 2.162 10 0 CEAEMP C(C[C@@H]1CCC[NH2+]1)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000052764674 518395820 /nfs/dbraw/zinc/39/58/20/518395820.db2.gz MQELXXMDMGYGRL-RRFJBIMHSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)[N@@H+](CCCO)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023326 519644985 /nfs/dbraw/zinc/64/49/85/519644985.db2.gz VGFRZOBDRHUDIJ-AWEZNQCLSA-N 2 1 263.385 2.147 10 0 CEAEMP CC(C)CC[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052545885 519650769 /nfs/dbraw/zinc/65/07/69/519650769.db2.gz SCDQXYXLKVXHDN-UHFFFAOYSA-N 2 1 281.448 2.002 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@@H]2CCCCO2)CCOCC1 ZINC000052182387 519719558 /nfs/dbraw/zinc/71/95/58/519719558.db2.gz CQWLXSYLBKZCFX-INIZCTEOSA-N 2 1 298.471 2.282 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C1CCN(C)CC1 ZINC000052419895 519720592 /nfs/dbraw/zinc/72/05/92/519720592.db2.gz JRTYTOQJQCHMBV-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419895 519720593 /nfs/dbraw/zinc/72/05/93/519720593.db2.gz JRTYTOQJQCHMBV-UHFFFAOYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419895 519720595 /nfs/dbraw/zinc/72/05/95/519720595.db2.gz JRTYTOQJQCHMBV-UHFFFAOYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCCC2)O1 ZINC000052444976 519725073 /nfs/dbraw/zinc/72/50/73/519725073.db2.gz OSHVQUBZHNSITG-CABCVRRESA-N 2 1 254.418 2.406 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccco2)O1 ZINC000052456879 519725087 /nfs/dbraw/zinc/72/50/87/519725087.db2.gz LGHMTYUDOLJAJZ-HIFRSBDPSA-N 2 1 266.385 2.257 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617394 519736680 /nfs/dbraw/zinc/73/66/80/519736680.db2.gz XYQVDSRUJOLPIN-ZBFHGGJFSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)[NH2+][C@H](CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000062532836 519738201 /nfs/dbraw/zinc/73/82/01/519738201.db2.gz WAPPUBQYRQUKMR-OAHLLOKOSA-N 2 1 295.471 2.275 10 0 CEAEMP CCC[N@@H+]1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713517 519863691 /nfs/dbraw/zinc/86/36/91/519863691.db2.gz AYLOBYQZIAHDPT-UHFFFAOYSA-N 2 1 251.399 2.249 10 0 CEAEMP CCC[N@H+]1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713517 519863693 /nfs/dbraw/zinc/86/36/93/519863693.db2.gz AYLOBYQZIAHDPT-UHFFFAOYSA-N 2 1 251.399 2.249 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[N@@H+](C)C1 ZINC000054602339 519907629 /nfs/dbraw/zinc/90/76/29/519907629.db2.gz OYJRELOQGHCJOO-NPYXIHBLSA-N 2 1 279.472 2.466 10 0 CEAEMP CC[NH2+]C(C)(C)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000061299598 519908072 /nfs/dbraw/zinc/90/80/72/519908072.db2.gz SXGZBGZUJRIURR-MRXNPFEDSA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@@H+](CC)C1 ZINC000054628963 519909039 /nfs/dbraw/zinc/90/90/39/519909039.db2.gz UFIXRONDOYADDC-NPYXIHBLSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCN(CC)C1 ZINC000054628963 519909042 /nfs/dbraw/zinc/90/90/42/519909042.db2.gz UFIXRONDOYADDC-NPYXIHBLSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(CC)C1 ZINC000054628963 519909046 /nfs/dbraw/zinc/90/90/46/519909046.db2.gz UFIXRONDOYADDC-NPYXIHBLSA-N 2 1 279.472 2.466 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763345 519913240 /nfs/dbraw/zinc/91/32/40/519913240.db2.gz NXWAFTYKVLHYQZ-OAHLLOKOSA-N 2 1 268.445 2.393 10 0 CEAEMP CC[NH2+]CCC[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571664 519919863 /nfs/dbraw/zinc/91/98/63/519919863.db2.gz DQDBDDNYZHSCJX-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417297 519931538 /nfs/dbraw/zinc/93/15/38/519931538.db2.gz IQTXXCONFLZZCU-INIZCTEOSA-N 2 1 275.440 2.444 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000052380539 519999142 /nfs/dbraw/zinc/99/91/42/519999142.db2.gz UOLZMPDGILHIBS-GJZGRUSLSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)C1CCOCC1 ZINC000052481190 520008746 /nfs/dbraw/zinc/00/87/46/520008746.db2.gz LDUJGLNIBIMLLZ-UHFFFAOYSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[NH+]1CCC(CCC)CC1)C(N)=O ZINC000050905569 520037072 /nfs/dbraw/zinc/03/70/72/520037072.db2.gz WDERUGONZZCMKE-INIZCTEOSA-N 2 1 283.460 2.132 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1CCC)C(N)=O ZINC000068650279 520044670 /nfs/dbraw/zinc/04/46/70/520044670.db2.gz IMGZJMFRWRSWGI-DOMZBBRYSA-N 2 1 280.416 2.030 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C)(CC)CC1)C(N)=O ZINC000068645151 520139361 /nfs/dbraw/zinc/13/93/61/520139361.db2.gz IPBMXPGBHPYZPB-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000054560571 520218704 /nfs/dbraw/zinc/21/87/04/520218704.db2.gz SHSFZTOHFMOJOV-INMHGKMJSA-N 2 1 282.472 2.494 10 0 CEAEMP CCCC[N@@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052418781 520478393 /nfs/dbraw/zinc/47/83/93/520478393.db2.gz OPUGZPQHQZMPKM-UHFFFAOYSA-N 2 1 281.448 2.288 10 0 CEAEMP CCCC[NH+](CCCC)CC[C@@H]([NH2+]CCC)C(N)=O ZINC000062444431 520494997 /nfs/dbraw/zinc/49/49/97/520494997.db2.gz FSWZJTJQIDUHSX-CQSZACIVSA-N 2 1 271.449 2.132 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2cc(C[NH3+])c(C)o2)C1 ZINC000052372178 520526257 /nfs/dbraw/zinc/52/62/57/520526257.db2.gz IUTOXHIUGBWTDB-ZDUSSCGKSA-N 2 1 252.358 2.048 10 0 CEAEMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c[nH]c(C)n1 ZINC000054797984 520636818 /nfs/dbraw/zinc/63/68/18/520636818.db2.gz KBIPDOSRFDGZSA-LBPRGKRZSA-N 2 1 252.406 2.318 10 0 CEAEMP CC[NH+](CC)CCc1nc(C)c(C(C)C)c(NN)[nH+]1 ZINC000061688981 520711835 /nfs/dbraw/zinc/71/18/35/520711835.db2.gz QOVCKQJSZIPREV-UHFFFAOYSA-N 2 1 265.405 2.078 10 0 CEAEMP CCN1CCC([N@H+](C)[C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544086 521567428 /nfs/dbraw/zinc/56/74/28/521567428.db2.gz XERSEJRSUQGTKP-OAHLLOKOSA-N 2 1 269.477 2.427 10 0 CEAEMP CCN1CCC([N@@H+](C)[C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544086 521567434 /nfs/dbraw/zinc/56/74/34/521567434.db2.gz XERSEJRSUQGTKP-OAHLLOKOSA-N 2 1 269.477 2.427 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@](C)(C3CC3)C2)c1C ZINC000068694013 521811655 /nfs/dbraw/zinc/81/16/55/521811655.db2.gz DKHCYMGUOBXWFA-KRWDZBQOSA-N 2 1 289.423 2.281 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)cc1 ZINC000054627428 521956092 /nfs/dbraw/zinc/95/60/92/521956092.db2.gz HYFFWHVQIKFFBF-GOOCMWNKSA-N 2 1 260.381 2.410 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)cc1 ZINC000054627428 521956097 /nfs/dbraw/zinc/95/60/97/521956097.db2.gz HYFFWHVQIKFFBF-GOOCMWNKSA-N 2 1 260.381 2.410 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(OC)cc1 ZINC000054627424 521956369 /nfs/dbraw/zinc/95/63/69/521956369.db2.gz GIPZEEFJMNHKDO-MQVJKMGUSA-N 2 1 274.408 2.453 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542130 522058736 /nfs/dbraw/zinc/05/87/36/522058736.db2.gz VCCVBOJDPGYLQY-GJZGRUSLSA-N 2 1 280.437 2.480 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2C)O1 ZINC000052547129 522092926 /nfs/dbraw/zinc/09/29/26/522092926.db2.gz MPODXWZDDKQFJA-CVEARBPZSA-N 2 1 262.397 2.194 10 0 CEAEMP C[NH2+]C[C@](C)(C[N@H+](CCOC)C1CC1)c1ccccc1 ZINC000051253358 522098857 /nfs/dbraw/zinc/09/88/57/522098857.db2.gz FGLKPELAGSBNBC-QGZVFWFLSA-N 2 1 276.424 2.275 10 0 CEAEMP C[NH2+]C[C@](C)(C[N@@H+](CCOC)C1CC1)c1ccccc1 ZINC000051253358 522098865 /nfs/dbraw/zinc/09/88/65/522098865.db2.gz FGLKPELAGSBNBC-QGZVFWFLSA-N 2 1 276.424 2.275 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)oc1C ZINC000052543445 522110527 /nfs/dbraw/zinc/11/05/27/522110527.db2.gz MFHABHBGIITQNT-NSHDSACASA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)oc1C ZINC000052543445 522110539 /nfs/dbraw/zinc/11/05/39/522110539.db2.gz MFHABHBGIITQNT-NSHDSACASA-N 2 1 266.385 2.307 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)CCOc1ccccc1C[NH2+]C1CC1 ZINC000052511632 522217263 /nfs/dbraw/zinc/21/72/63/522217263.db2.gz GQQWBHIADJZSOZ-CQSZACIVSA-N 2 1 292.423 2.284 10 0 CEAEMP COc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1O ZINC000049553294 522910864 /nfs/dbraw/zinc/91/08/64/522910864.db2.gz MUOXBJYOWBBUPT-VXGBXAGGSA-N 2 1 266.385 2.392 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)CC1(C[NH3+])CCOCC1 ZINC000052198200 523249413 /nfs/dbraw/zinc/24/94/13/523249413.db2.gz DVKZGBCQKSVLIU-UHFFFAOYSA-N 2 1 266.360 2.013 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@H](C)CCC[NH2+]C(C)C ZINC000052543280 523256948 /nfs/dbraw/zinc/25/69/48/523256948.db2.gz QGZWOTUUDZVWJQ-OAHLLOKOSA-N 2 1 274.449 2.138 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C)CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068697253 523322482 /nfs/dbraw/zinc/32/24/82/523322482.db2.gz QAKNVMWUAGFIHS-OCCSQVGLSA-N 2 1 277.412 2.279 10 0 CEAEMP CN(Cc1ccccc1F)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000048873516 523370774 /nfs/dbraw/zinc/37/07/74/523370774.db2.gz SBNMKIRTBQJQNO-FKEKPDDDSA-N 2 1 291.414 2.212 10 0 CEAEMP CC[C@@H]1CSC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)=[NH+]1 ZINC000049569537 523520663 /nfs/dbraw/zinc/52/06/63/523520663.db2.gz UCJMHLOWTYQBHE-IJLUTSLNSA-N 2 1 253.415 2.084 10 0 CEAEMP COCC[N@@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1)[C@@H](C)C1CC1 ZINC000052545453 523731595 /nfs/dbraw/zinc/73/15/95/523731595.db2.gz FJKSFGCEXCKLHM-XIRDDKMYSA-N 2 1 298.471 2.279 10 0 CEAEMP COc1ccc(C[N@H+](C)Cc2cc[nH+]c(NN)c2)cc1 ZINC000052720310 524005514 /nfs/dbraw/zinc/00/55/14/524005514.db2.gz VTEOZNBYXIGVBZ-UHFFFAOYSA-N 2 1 272.352 2.008 10 0 CEAEMP COc1ccc(C[N@@H+](C)Cc2cc[nH+]c(NN)c2)cc1 ZINC000052720310 524005520 /nfs/dbraw/zinc/00/55/20/524005520.db2.gz VTEOZNBYXIGVBZ-UHFFFAOYSA-N 2 1 272.352 2.008 10 0 CEAEMP Cc1cccc(N2CC[NH+](Cc3cc(C[NH3+])co3)CC2)c1 ZINC000052418947 524558788 /nfs/dbraw/zinc/55/87/88/524558788.db2.gz CJXSNYRWRVNWDN-UHFFFAOYSA-N 2 1 285.391 2.369 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CN(C)[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000053244976 525765674 /nfs/dbraw/zinc/76/56/74/525765674.db2.gz OFBLYOGBYCTWML-WBVHZDCISA-N 2 1 275.440 2.329 10 0 CEAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658288 526255952 /nfs/dbraw/zinc/25/59/52/526255952.db2.gz UAARXNHEQNNIRO-AAEUAGOBSA-N 2 1 260.385 2.376 10 0 CEAEMP NC(=[NH2+])c1cccc(C[NH+]2Cc3ccccc3C2)c1 ZINC000050911417 526824011 /nfs/dbraw/zinc/82/40/11/526824011.db2.gz VSHGGHMFSMGYLT-UHFFFAOYSA-N 2 1 251.333 2.486 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2CCCO)CCCCC1 ZINC000052763361 527162902 /nfs/dbraw/zinc/16/29/02/527162902.db2.gz NZTZCRMLASWKPS-CQSZACIVSA-N 2 1 254.418 2.133 10 0 CEAEMP [NH3+]Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052758468 527254978 /nfs/dbraw/zinc/25/49/78/527254978.db2.gz KRNWEWRHQFMMJD-CQSZACIVSA-N 2 1 266.360 2.021 10 0 CEAEMP [NH3+]Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000061710179 527260119 /nfs/dbraw/zinc/26/01/19/527260119.db2.gz NPLSTLNNPYDYBV-KRWDZBQOSA-N 2 1 282.387 2.379 10 0 CEAEMP [NH3+][C@H]1CCCCC[C@@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050515512 527393865 /nfs/dbraw/zinc/39/38/65/527393865.db2.gz MKIWOTPOVHKDLV-HOTGVXAUSA-N 2 1 262.397 2.141 10 0 CEAEMP [NH3+][C@H]1CCCCC[C@@H]1[N@@H+](CCO)Cc1ccccc1 ZINC000050515512 527393869 /nfs/dbraw/zinc/39/38/69/527393869.db2.gz MKIWOTPOVHKDLV-HOTGVXAUSA-N 2 1 262.397 2.141 10 0 CEAEMP Cc1[nH+]cn(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)c1C ZINC000052593714 527463467 /nfs/dbraw/zinc/46/34/67/527463467.db2.gz ABWAYMIONNMXBR-UONOGXRCSA-N 2 1 251.374 2.046 10 0 CEAEMP OCC[NH+]1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000398967895 628767279 /nfs/dbraw/zinc/76/72/79/628767279.db2.gz SMYKPXMRQMFAAJ-UHFFFAOYSA-N 2 1 254.418 2.003 10 0 CEAEMP CC[NH2+][C@@]1(C[NH3+])CCc2cc(Br)ccc2C1 ZINC000082491562 178058976 /nfs/dbraw/zinc/05/89/76/178058976.db2.gz PFFNCICAKKLPEB-ZDUSSCGKSA-N 2 1 283.213 2.245 10 0 CEAEMP C[N@@H+](C[C@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412797 539030974 /nfs/dbraw/zinc/03/09/74/539030974.db2.gz HBLSKSBLZIPFTE-DRFQVBMSSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394412797 539030975 /nfs/dbraw/zinc/03/09/75/539030975.db2.gz HBLSKSBLZIPFTE-DRFQVBMSSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394412797 539030976 /nfs/dbraw/zinc/03/09/76/539030976.db2.gz HBLSKSBLZIPFTE-DRFQVBMSSA-N 2 1 266.429 2.095 10 0 CEAEMP c1cc2c(cc1CN1CC[N@H+]3CCCC[C@H]3C1)C[NH2+]CC2 ZINC000250215337 344632405 /nfs/dbraw/zinc/63/24/05/344632405.db2.gz OGKUDRFZNNBNNO-SFHVURJKSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc2c(cc1C[N@@H+]1CCN3CCCC[C@H]3C1)C[NH2+]CC2 ZINC000250215337 344632408 /nfs/dbraw/zinc/63/24/08/344632408.db2.gz OGKUDRFZNNBNNO-SFHVURJKSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc2c(cc1C[N@H+]1CCN3CCCC[C@H]3C1)C[NH2+]CC2 ZINC000250215337 344632410 /nfs/dbraw/zinc/63/24/10/344632410.db2.gz OGKUDRFZNNBNNO-SFHVURJKSA-N 2 1 285.435 2.002 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCC(F)(F)F ZINC000085626450 179106742 /nfs/dbraw/zinc/10/67/42/179106742.db2.gz WYTPFTUXWDDKNA-MWLCHTKSSA-N 2 1 250.308 2.401 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1CCC(F)(F)F ZINC000085626450 179106744 /nfs/dbraw/zinc/10/67/44/179106744.db2.gz WYTPFTUXWDDKNA-MWLCHTKSSA-N 2 1 250.308 2.401 10 0 CEAEMP CC(C)Cc1nc2c(n1C[C@@H]1CCCC[N@H+]1C)CC[NH2+]C2 ZINC000085572818 179098332 /nfs/dbraw/zinc/09/83/32/179098332.db2.gz OUZGNNHYVYMGSR-AWEZNQCLSA-N 2 1 290.455 2.212 10 0 CEAEMP CC(C)c1nc2c(n1C[C@H]1CCCC[N@H+]1C)CC[NH2+]C2 ZINC000085572839 179098480 /nfs/dbraw/zinc/09/84/80/179098480.db2.gz GPJANMRFFQRJFD-CYBMUJFWSA-N 2 1 276.428 2.137 10 0 CEAEMP CCOCC[N@@H+]1C[C@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618733 179103990 /nfs/dbraw/zinc/10/39/90/179103990.db2.gz RVFBVJTZRNWEIK-RDJZCZTQSA-N 2 1 276.424 2.318 10 0 CEAEMP CCOCC[N@H+]1C[C@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618733 179103993 /nfs/dbraw/zinc/10/39/93/179103993.db2.gz RVFBVJTZRNWEIK-RDJZCZTQSA-N 2 1 276.424 2.318 10 0 CEAEMP CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085800693 179173759 /nfs/dbraw/zinc/17/37/59/179173759.db2.gz ZZRRWCGUNVUYNF-KURKYZTESA-N 2 1 288.435 2.461 10 0 CEAEMP CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085800693 179173761 /nfs/dbraw/zinc/17/37/61/179173761.db2.gz ZZRRWCGUNVUYNF-KURKYZTESA-N 2 1 288.435 2.461 10 0 CEAEMP CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086173677 179244225 /nfs/dbraw/zinc/24/42/25/179244225.db2.gz OQJFGPMQNNCZFT-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CC1CC[NH+](CC)CC1 ZINC000086173677 179244226 /nfs/dbraw/zinc/24/42/26/179244226.db2.gz OQJFGPMQNNCZFT-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146683 179238791 /nfs/dbraw/zinc/23/87/91/179238791.db2.gz GFGKBXXZLFWXIP-QGZVFWFLSA-N 2 1 275.440 2.149 10 0 CEAEMP C[NH+](C)CCCCN1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086146683 179238793 /nfs/dbraw/zinc/23/87/93/179238793.db2.gz GFGKBXXZLFWXIP-QGZVFWFLSA-N 2 1 275.440 2.149 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)CC1 ZINC000086259149 179258193 /nfs/dbraw/zinc/25/81/93/179258193.db2.gz GEBYWFMLYGTLLP-QZTJIDSGSA-N 2 1 293.499 2.427 10 0 CEAEMP CCC[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259286 179258304 /nfs/dbraw/zinc/25/83/04/179258304.db2.gz ZJWHCWLBDFMSDY-IKGGRYGDSA-N 2 1 281.488 2.427 10 0 CEAEMP Cc1cccc(OCC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086291112 179265773 /nfs/dbraw/zinc/26/57/73/179265773.db2.gz NLSQRWMDWOEEOU-QGZVFWFLSA-N 2 1 274.408 2.448 10 0 CEAEMP Cc1cccc(OCC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086291112 179265774 /nfs/dbraw/zinc/26/57/74/179265774.db2.gz NLSQRWMDWOEEOU-QGZVFWFLSA-N 2 1 274.408 2.448 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291485 179266061 /nfs/dbraw/zinc/26/60/61/179266061.db2.gz NBWXRBNSOIFAGC-WBVHZDCISA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291485 179266064 /nfs/dbraw/zinc/26/60/64/179266064.db2.gz NBWXRBNSOIFAGC-WBVHZDCISA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291568 179266417 /nfs/dbraw/zinc/26/64/17/179266417.db2.gz WVLJDNWROQIARW-BZUAXINKSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CN2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293026 179266512 /nfs/dbraw/zinc/26/65/12/179266512.db2.gz AVTGSZIZVOTWCI-MRXNPFEDSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293262 179266646 /nfs/dbraw/zinc/26/66/46/179266646.db2.gz IXAVOSWYHIJNAA-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293262 179266648 /nfs/dbraw/zinc/26/66/48/179266648.db2.gz IXAVOSWYHIJNAA-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC1(CC)C[N@@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291479 179266912 /nfs/dbraw/zinc/26/69/12/179266912.db2.gz FCDHNDUEGVBPSL-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC1(CC)CN(CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291479 179266913 /nfs/dbraw/zinc/26/69/13/179266913.db2.gz FCDHNDUEGVBPSL-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000086399741 179285340 /nfs/dbraw/zinc/28/53/40/179285340.db2.gz DLKHUQHXJJBKJY-MNOVXSKESA-N 2 1 269.186 2.419 10 0 CEAEMP Cc1[nH+]ccn1-c1ncccc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818664 179347307 /nfs/dbraw/zinc/34/73/07/179347307.db2.gz HPHMGXLFVHCRAE-AWEZNQCLSA-N 2 1 285.395 2.472 10 0 CEAEMP Cc1[nH+]ccn1-c1ncccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086818664 179347310 /nfs/dbraw/zinc/34/73/10/179347310.db2.gz HPHMGXLFVHCRAE-AWEZNQCLSA-N 2 1 285.395 2.472 10 0 CEAEMP CCCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819415 179347869 /nfs/dbraw/zinc/34/78/69/179347869.db2.gz HKFCCGQBRHQORZ-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP Cc1ccc(N(C)[C@@]2(C[NH3+])CCC[N@@H+](C)CC2)cc1 ZINC000086819527 179348090 /nfs/dbraw/zinc/34/80/90/179348090.db2.gz KUTNEKDVORSEOQ-INIZCTEOSA-N 2 1 261.413 2.244 10 0 CEAEMP CCN(Cc1ccccc1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819263 179348755 /nfs/dbraw/zinc/34/87/55/179348755.db2.gz KBCHXSFDMDKMCX-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH+]2CCc3c(N)cccc3C2)CC1 ZINC000086833497 179349785 /nfs/dbraw/zinc/34/97/85/179349785.db2.gz GOURPSFEBHINRV-AWEZNQCLSA-N 2 1 259.397 2.111 10 0 CEAEMP CCCC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818529 179346805 /nfs/dbraw/zinc/34/68/05/179346805.db2.gz GWQPRJXJYSWGOE-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818529 179346807 /nfs/dbraw/zinc/34/68/07/179346807.db2.gz GWQPRJXJYSWGOE-OAHLLOKOSA-N 3 1 267.461 2.325 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818529 179346809 /nfs/dbraw/zinc/34/68/09/179346809.db2.gz GWQPRJXJYSWGOE-OAHLLOKOSA-N 3 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CC)C[C@@H]2CCCO2)CC1 ZINC000086847767 179356888 /nfs/dbraw/zinc/35/68/88/179356888.db2.gz KKQATFJJVMQOOC-IRXDYDNUSA-N 2 1 297.487 2.081 10 0 CEAEMP C[NH+]1CCC[C@H]([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086833497 179349786 /nfs/dbraw/zinc/34/97/86/179349786.db2.gz GOURPSFEBHINRV-AWEZNQCLSA-N 2 1 259.397 2.111 10 0 CEAEMP C[NH+]1CCC[C@H]([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086833497 179349787 /nfs/dbraw/zinc/34/97/87/179349787.db2.gz GOURPSFEBHINRV-AWEZNQCLSA-N 2 1 259.397 2.111 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000086836143 179350331 /nfs/dbraw/zinc/35/03/31/179350331.db2.gz LJTGOVYBHNSOCK-GJZGRUSLSA-N 2 1 279.428 2.346 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000086836143 179350332 /nfs/dbraw/zinc/35/03/32/179350332.db2.gz LJTGOVYBHNSOCK-GJZGRUSLSA-N 2 1 279.428 2.346 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000086836237 179351137 /nfs/dbraw/zinc/35/11/37/179351137.db2.gz ZXUSWXXWCYDPFS-CQSZACIVSA-N 2 1 276.380 2.379 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836701 179352160 /nfs/dbraw/zinc/35/21/60/179352160.db2.gz FTJSWPOLALSNJT-SJORKVTESA-N 2 1 298.471 2.425 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCC(=O)N(CC)CC)CC1 ZINC000086841084 179354044 /nfs/dbraw/zinc/35/40/44/179354044.db2.gz KKQVITIYEORPTP-OAHLLOKOSA-N 2 1 283.460 2.099 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354612 /nfs/dbraw/zinc/35/46/12/179354612.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354613 /nfs/dbraw/zinc/35/46/13/179354613.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354614 /nfs/dbraw/zinc/35/46/14/179354614.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354616 /nfs/dbraw/zinc/35/46/16/179354616.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354617 /nfs/dbraw/zinc/35/46/17/179354617.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846449 179355150 /nfs/dbraw/zinc/35/51/50/179355150.db2.gz LLRIEALQGBKQCV-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000086891433 179366485 /nfs/dbraw/zinc/36/64/85/179366485.db2.gz LBSVYUQUJUJJHS-GDBMZVCRSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000086910558 179366776 /nfs/dbraw/zinc/36/67/76/179366776.db2.gz UFVSHQNKMRSUEL-HZPDHXFCSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH2+][C@H](CCCOC)Cc1c[nH+]ccc1N ZINC000086970915 179370681 /nfs/dbraw/zinc/37/06/81/179370681.db2.gz ITFGZTOHMMZBEA-CYBMUJFWSA-N 2 1 251.374 2.001 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CC1(O)CCCCC1 ZINC000087029183 179382432 /nfs/dbraw/zinc/38/24/32/179382432.db2.gz DHSKQJRLQSWZAG-CQSZACIVSA-N 2 1 254.418 2.146 10 0 CEAEMP C[NH2+][C@@H](CSC1CCCC1)Cc1c[nH+]ccc1N ZINC000087144876 179397351 /nfs/dbraw/zinc/39/73/51/179397351.db2.gz IEWPXJIVCXRMBX-GFCCVEGCSA-N 2 1 265.426 2.470 10 0 CEAEMP CC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000090494287 179993217 /nfs/dbraw/zinc/99/32/17/179993217.db2.gz ILVIGMNZKFDHLD-BYNSBNAKSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)C1CCCCC1 ZINC000090566022 180005391 /nfs/dbraw/zinc/00/53/91/180005391.db2.gz CKPHMEJJSNWPOZ-UKRRQHHQSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)C1CCCCC1 ZINC000090566020 180005544 /nfs/dbraw/zinc/00/55/44/180005544.db2.gz CKPHMEJJSNWPOZ-DZGCQCFKSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](CC)C1CCCC1 ZINC000090566153 180005999 /nfs/dbraw/zinc/00/59/99/180005999.db2.gz KIWBCBZZCJCCLS-HIFRSBDPSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566873 180006207 /nfs/dbraw/zinc/00/62/07/180006207.db2.gz JIPPIQXTLXRTNW-MSOLQXFVSA-N 2 1 288.435 2.449 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566870 180006436 /nfs/dbraw/zinc/00/64/36/180006436.db2.gz JIPPIQXTLXRTNW-ZWKOTPCHSA-N 2 1 288.435 2.449 10 0 CEAEMP C[N@H+](CC[C@H]1CCCC[NH2+]1)C[C@@H]1Cc2ccccc2O1 ZINC000090878905 180052023 /nfs/dbraw/zinc/05/20/23/180052023.db2.gz NHUNDBYEODSTGO-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)C[C@@H]1Cc2ccccc2O1 ZINC000090878905 180052026 /nfs/dbraw/zinc/05/20/26/180052026.db2.gz NHUNDBYEODSTGO-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP C[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1(C[NH3+])CCCC1 ZINC000090879183 180053217 /nfs/dbraw/zinc/05/32/17/180053217.db2.gz JRGBSLSRTQBYAY-CQSZACIVSA-N 2 1 278.371 2.333 10 0 CEAEMP C[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C1(C[NH3+])CCCC1 ZINC000090879183 180053219 /nfs/dbraw/zinc/05/32/19/180053219.db2.gz JRGBSLSRTQBYAY-CQSZACIVSA-N 2 1 278.371 2.333 10 0 CEAEMP Fc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090896194 180057104 /nfs/dbraw/zinc/05/71/04/180057104.db2.gz SSMUWSJGAYNKKZ-HOTGVXAUSA-N 2 1 290.382 2.203 10 0 CEAEMP Fc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090896194 180057107 /nfs/dbraw/zinc/05/71/07/180057107.db2.gz SSMUWSJGAYNKKZ-HOTGVXAUSA-N 2 1 290.382 2.203 10 0 CEAEMP CC(C)[C@H]1CCC[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958817 180075649 /nfs/dbraw/zinc/07/56/49/180075649.db2.gz UZOKNVNSQCMOBM-GFCCVEGCSA-N 2 1 253.415 2.265 10 0 CEAEMP CC(C)[NH2+]Cc1cccn1C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000091001068 180083384 /nfs/dbraw/zinc/08/33/84/180083384.db2.gz GGTMDEQKNRVGFV-MRXNPFEDSA-N 2 1 279.428 2.095 10 0 CEAEMP c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091019481 180087683 /nfs/dbraw/zinc/08/76/83/180087683.db2.gz CXRASQLUTUFOSG-LSDHHAIUSA-N 2 1 270.380 2.279 10 0 CEAEMP c1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091019481 180087684 /nfs/dbraw/zinc/08/76/84/180087684.db2.gz CXRASQLUTUFOSG-LSDHHAIUSA-N 2 1 270.380 2.279 10 0 CEAEMP CC(C)(C)NC(=O)C[C@@H](CN)[NH+]1CCC(C(C)(C)C)CC1 ZINC000091321524 180134636 /nfs/dbraw/zinc/13/46/36/180134636.db2.gz XVENYUTZZQUWNY-AWEZNQCLSA-N 2 1 297.487 2.377 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275382 180118624 /nfs/dbraw/zinc/11/86/24/180118624.db2.gz GMNOQZIMECXUNW-SWLSCSKDSA-N 2 1 262.401 2.340 10 0 CEAEMP CCC[NH2+]CCCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091430278 180153097 /nfs/dbraw/zinc/15/30/97/180153097.db2.gz QQICMDCCCOYOJU-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091430278 180153099 /nfs/dbraw/zinc/15/30/99/180153099.db2.gz QQICMDCCCOYOJU-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]C[C@@](C)(CCC)C[N@@H+](C)CC1CC(O)C1 ZINC000091498659 180174169 /nfs/dbraw/zinc/17/41/69/180174169.db2.gz VOPYQZOAAOZDDB-UYSNPLJNSA-N 2 1 270.461 2.495 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1ccccn1)[NH2+]C)[NH+]1CCCC1 ZINC000091606057 180204450 /nfs/dbraw/zinc/20/44/50/180204450.db2.gz LXNADALMEJNUMT-CVEARBPZSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[NH2+][C@H](Cc1ccnc(N)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535159 180182302 /nfs/dbraw/zinc/18/23/02/180182302.db2.gz LJMGQDXDGAIXMK-CQSZACIVSA-N 2 1 276.428 2.059 10 0 CEAEMP CC[NH2+][C@H](Cc1ccncc1)C(C)(C)[NH+]1CCCC1 ZINC000091535866 180182376 /nfs/dbraw/zinc/18/23/76/180182376.db2.gz XGHBMFRMWSHYSH-OAHLLOKOSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccn1)C1([NH+](C)C)CCCC1 ZINC000091637926 180212388 /nfs/dbraw/zinc/21/23/88/180212388.db2.gz WNLJJYPXHUTQCE-OAHLLOKOSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[NH+](CC)C1([C@@H](O)Cc2ccc[nH+]c2N)CCCC1 ZINC000091638949 180212438 /nfs/dbraw/zinc/21/24/38/180212438.db2.gz WWMVEFXAOUNQCP-AWEZNQCLSA-N 2 1 277.412 2.222 10 0 CEAEMP Nc1cc[nH+]cc1[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641779 180213006 /nfs/dbraw/zinc/21/30/06/180213006.db2.gz JKZVIUVHUPATEO-OAHLLOKOSA-N 2 1 275.396 2.496 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652617 180217095 /nfs/dbraw/zinc/21/70/95/180217095.db2.gz NTWKJIRFGPJXHY-XYPHTWIQSA-N 2 1 290.455 2.305 10 0 CEAEMP C[NH2+][C@H](CCC(C)(C)C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721291 180237419 /nfs/dbraw/zinc/23/74/19/180237419.db2.gz ZTCFZNOKIRZQAI-MGPQQGTHSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+][C@H](CCC(C)(C)C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721291 180237421 /nfs/dbraw/zinc/23/74/21/180237421.db2.gz ZTCFZNOKIRZQAI-MGPQQGTHSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@H](CC1CCOCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722109 180239697 /nfs/dbraw/zinc/23/96/97/180239697.db2.gz SACBYFHZWWYSOE-ZACQAIPSSA-N 2 1 296.455 2.035 10 0 CEAEMP CCC[NH2+][C@H](CC1CCOCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722109 180239699 /nfs/dbraw/zinc/23/96/99/180239699.db2.gz SACBYFHZWWYSOE-ZACQAIPSSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[N@@H+](CCOC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091850863 180272445 /nfs/dbraw/zinc/27/24/45/180272445.db2.gz QHPDEBVODLTCJV-UHFFFAOYSA-N 2 1 254.296 2.115 10 0 CEAEMP CCC[N@@H+](CCn1ccnc1C)C1CCC([NH3+])CC1 ZINC000091852622 180272822 /nfs/dbraw/zinc/27/28/22/180272822.db2.gz HTSPOQFHHALJJC-UHFFFAOYSA-N 2 1 264.417 2.173 10 0 CEAEMP CCC[N@H+](CCn1cc[nH+]c1C)C1CCC([NH3+])CC1 ZINC000091852622 180272823 /nfs/dbraw/zinc/27/28/23/180272823.db2.gz HTSPOQFHHALJJC-UHFFFAOYSA-N 3 1 264.417 2.173 10 0 CEAEMP CCC[N@@H+](CCn1cc[nH+]c1C)C1CCC([NH3+])CC1 ZINC000091852622 180272825 /nfs/dbraw/zinc/27/28/25/180272825.db2.gz HTSPOQFHHALJJC-UHFFFAOYSA-N 3 1 264.417 2.173 10 0 CEAEMP CC[N@@H+](Cc1cccc(OC)n1)C1CCC([NH3+])CC1 ZINC000091850945 180272067 /nfs/dbraw/zinc/27/20/67/180272067.db2.gz XFCSPWGCSUXAFR-UHFFFAOYSA-N 2 1 263.385 2.182 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)N(C(C)C)C(C)C)CC1 ZINC000091872773 180278038 /nfs/dbraw/zinc/27/80/38/180278038.db2.gz TYZAAKYUJRZTNO-UHFFFAOYSA-N 2 1 283.460 2.094 10 0 CEAEMP CC1(C)CCC(C[NH3+])([C@@]2(O)CC[N@H+](C3CC3)C2)CC1 ZINC000091907236 180283944 /nfs/dbraw/zinc/28/39/44/180283944.db2.gz RSINCMVQNHDDPW-MRXNPFEDSA-N 2 1 266.429 2.131 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc3c(c2)CCC[C@@H]3[NH3+])C1 ZINC000092051232 180312774 /nfs/dbraw/zinc/31/27/74/180312774.db2.gz JUKBVBJBCFOWCR-WBVHZDCISA-N 2 1 290.407 2.122 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc3c(c2)CCC[C@@H]3[NH3+])C1 ZINC000092051232 180312775 /nfs/dbraw/zinc/31/27/75/180312775.db2.gz JUKBVBJBCFOWCR-WBVHZDCISA-N 2 1 290.407 2.122 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2cc(C)ccc2[C@H](C)[NH3+])C1 ZINC000092051367 180313271 /nfs/dbraw/zinc/31/32/71/180313271.db2.gz ZECCQYXKKPVWRR-UONOGXRCSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2cc(C)ccc2[C@H](C)[NH3+])C1 ZINC000092051367 180313273 /nfs/dbraw/zinc/31/32/73/180313273.db2.gz ZECCQYXKKPVWRR-UONOGXRCSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2cccc3c2CCC[C@@H]3[NH3+])C1 ZINC000092051370 180313429 /nfs/dbraw/zinc/31/34/29/180313429.db2.gz LKJBEJNMELIROD-BBRMVZONSA-N 2 1 290.407 2.122 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2cccc3c2CCC[C@@H]3[NH3+])C1 ZINC000092051370 180313433 /nfs/dbraw/zinc/31/34/33/180313433.db2.gz LKJBEJNMELIROD-BBRMVZONSA-N 2 1 290.407 2.122 10 0 CEAEMP CC[N@H+]1CCO[C@@H](Cn2ccc3c2cccc3C[NH2+]C)C1 ZINC000092060162 180315687 /nfs/dbraw/zinc/31/56/87/180315687.db2.gz WRKZHKCCXQONKE-OAHLLOKOSA-N 2 1 287.407 2.081 10 0 CEAEMP C[N@H+](Cc1ccnc2ccccc12)CC1CC([NH3+])C1 ZINC000092365322 180368700 /nfs/dbraw/zinc/36/87/00/180368700.db2.gz HTJTZMYCZBBIOE-UHFFFAOYSA-N 2 1 255.365 2.404 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1cc(N)cc[nH+]1 ZINC000092418843 180382051 /nfs/dbraw/zinc/38/20/51/180382051.db2.gz HTMLGTKJDLVPIM-UHFFFAOYSA-N 2 1 251.374 2.301 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCC[N@H+]2C)cc1C ZINC000092624484 180417970 /nfs/dbraw/zinc/41/79/70/180417970.db2.gz JQVOZEXKOXKEAC-DLBZAZTESA-N 2 1 275.440 2.329 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])C1 ZINC000109684704 186268729 /nfs/dbraw/zinc/26/87/29/186268729.db2.gz GUBNTSZACILBGB-XUWVNRHRSA-N 2 1 296.455 2.415 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCC[N@@H+](CCC(C)C)C1CC1 ZINC000109999728 186282265 /nfs/dbraw/zinc/28/22/65/186282265.db2.gz LXIWZKAUPJUKAR-OAHLLOKOSA-N 2 1 270.417 2.168 10 0 CEAEMP C[N@H+](CC(=O)Nc1ccccc1C[NH3+])CC1CCCC1 ZINC000110833798 186328787 /nfs/dbraw/zinc/32/87/87/186328787.db2.gz SHJGELYXAFQYRG-UHFFFAOYSA-N 2 1 275.396 2.206 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccccc2OC)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110704070 186314951 /nfs/dbraw/zinc/31/49/51/186314951.db2.gz OIYOJTLSPSUGAN-CKEIUWERSA-N 2 1 291.439 2.110 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705019 186314960 /nfs/dbraw/zinc/31/49/60/186314960.db2.gz SAJYCYXCMQBRRW-JSGCOSHPSA-N 2 1 265.401 2.084 10 0 CEAEMP C[NH2+][C@@H](CN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1C ZINC000110716733 186316235 /nfs/dbraw/zinc/31/62/35/186316235.db2.gz YHJSDGTWLLLOBG-INIZCTEOSA-N 2 1 275.440 2.282 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000110716545 186316306 /nfs/dbraw/zinc/31/63/06/186316306.db2.gz LCYQNLKMXQNNNF-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[C@@H]1CN(C[C@@](C)(CC)C[NH2+]C2CC2)CC[N@H+]1C ZINC000110746534 186319585 /nfs/dbraw/zinc/31/95/85/186319585.db2.gz ZBMJZYSPPATTKU-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC(CC)[NH2+]C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757924 186321934 /nfs/dbraw/zinc/32/19/34/186321934.db2.gz GNRZWSKIKBLLRH-CYBMUJFWSA-N 2 1 255.450 2.179 10 0 CEAEMP CCC[NH2+]Cc1ccc(OCC[N@H+](C)CCN(C)C)cc1 ZINC000111149880 186360797 /nfs/dbraw/zinc/36/07/97/186360797.db2.gz RRTXCFUYMHEWCL-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CCC[NH2+]Cc1ccc(OCC[N@@H+](C)CCN(C)C)cc1 ZINC000111149880 186360799 /nfs/dbraw/zinc/36/07/99/186360799.db2.gz RRTXCFUYMHEWCL-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP C[N@@H+](CC1CCOCC1)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157524 186362014 /nfs/dbraw/zinc/36/20/14/186362014.db2.gz RDQVWDCELNBXDC-CABCVRRESA-N 2 1 254.418 2.252 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000111140557 186357056 /nfs/dbraw/zinc/35/70/56/186357056.db2.gz IEISTNMXAQCLEE-UHFFFAOYSA-N 3 1 289.467 2.191 10 0 CEAEMP CN(C)CCC[N@H+](C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000111140557 186357058 /nfs/dbraw/zinc/35/70/58/186357058.db2.gz IEISTNMXAQCLEE-UHFFFAOYSA-N 2 1 289.467 2.191 10 0 CEAEMP CN(C)CCC[N@@H+](C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000111140557 186357061 /nfs/dbraw/zinc/35/70/61/186357061.db2.gz IEISTNMXAQCLEE-UHFFFAOYSA-N 2 1 289.467 2.191 10 0 CEAEMP CN(CCC[NH+](C)C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000111140557 186357062 /nfs/dbraw/zinc/35/70/62/186357062.db2.gz IEISTNMXAQCLEE-UHFFFAOYSA-N 2 1 289.467 2.191 10 0 CEAEMP CN(CCC[NH+](C)C)C[C@H]([NH3+])c1cc2ccccc2o1 ZINC000111136736 186357623 /nfs/dbraw/zinc/35/76/23/186357623.db2.gz OHNKOCAKXMTLFS-AWEZNQCLSA-N 2 1 275.396 2.316 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000111143910 186359273 /nfs/dbraw/zinc/35/92/73/186359273.db2.gz JSGOCTGDWMTZPX-INIZCTEOSA-N 2 1 264.413 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000111143910 186359274 /nfs/dbraw/zinc/35/92/74/186359274.db2.gz JSGOCTGDWMTZPX-INIZCTEOSA-N 2 1 264.413 2.220 10 0 CEAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171739 186364681 /nfs/dbraw/zinc/36/46/81/186364681.db2.gz BNQBTMKJYYITSY-SOUVJXGZSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CCCOC2)O1 ZINC000111174870 186364976 /nfs/dbraw/zinc/36/49/76/186364976.db2.gz APGZVLZBGJQWGT-BBWFWOEESA-N 2 1 298.471 2.138 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323697 186397518 /nfs/dbraw/zinc/39/75/18/186397518.db2.gz DSIXKCXSQODEOK-GJZGRUSLSA-N 2 1 254.418 2.267 10 0 CEAEMP CO[C@H]1C[N@H+](CCCCC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363374 351711893 /nfs/dbraw/zinc/71/18/93/351711893.db2.gz BEKMOOPMZFDBIH-HZPDHXFCSA-N 2 1 284.444 2.021 10 0 CEAEMP CO[C@H]1C[N@@H+](CCCCC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363374 351711895 /nfs/dbraw/zinc/71/18/95/351711895.db2.gz BEKMOOPMZFDBIH-HZPDHXFCSA-N 2 1 284.444 2.021 10 0 CEAEMP CN(C)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093210227 539845182 /nfs/dbraw/zinc/84/51/82/539845182.db2.gz MDNJWIBKNIPSJV-XHSDSOJGSA-N 2 1 261.413 2.149 10 0 CEAEMP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000094446946 539879250 /nfs/dbraw/zinc/87/92/50/539879250.db2.gz RYSGPXQFYHSXDE-OWCLPIDISA-N 2 1 295.471 2.083 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000092634182 364091975 /nfs/dbraw/zinc/09/19/75/364091975.db2.gz HGICVNISVBAADP-OAHLLOKOSA-N 2 1 290.411 2.093 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000113270805 364882413 /nfs/dbraw/zinc/88/24/13/364882413.db2.gz SQTNRICLTRVFLI-ZFWWWQNUSA-N 2 1 289.423 2.376 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113270805 364882417 /nfs/dbraw/zinc/88/24/17/364882417.db2.gz SQTNRICLTRVFLI-ZFWWWQNUSA-N 2 1 289.423 2.376 10 0 CEAEMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261842669 284023235 /nfs/dbraw/zinc/02/32/35/284023235.db2.gz SCZNAPFHKALRDE-GDBMZVCRSA-N 2 1 282.428 2.184 10 0 CEAEMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261842669 284023236 /nfs/dbraw/zinc/02/32/36/284023236.db2.gz SCZNAPFHKALRDE-GDBMZVCRSA-N 2 1 282.428 2.184 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)O ZINC000634576582 368726289 /nfs/dbraw/zinc/72/62/89/368726289.db2.gz VIDMNOYCLXHQAW-GDBMZVCRSA-N 2 1 276.424 2.115 10 0 CEAEMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000634999254 369033654 /nfs/dbraw/zinc/03/36/54/369033654.db2.gz RQPYQCZKHKDVIZ-MCIONIFRSA-N 2 1 260.381 2.079 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000261658566 371693938 /nfs/dbraw/zinc/69/39/38/371693938.db2.gz YWERCUJDMZJNLB-KCPJHIHWSA-N 2 1 280.799 2.388 10 0 CEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261914400 371768575 /nfs/dbraw/zinc/76/85/75/371768575.db2.gz JMOKPTUGAWVVNG-BBWFWOEESA-N 2 1 292.398 2.115 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)C1 ZINC000261947701 371782424 /nfs/dbraw/zinc/78/24/24/371782424.db2.gz NMNJBSYIEAIIOX-XAJHFOFHSA-N 2 1 280.456 2.248 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262051226 371813011 /nfs/dbraw/zinc/81/30/11/371813011.db2.gz ZPFYIJJYUWTAAT-XHSDSOJGSA-N 2 1 278.371 2.072 10 0 CEAEMP CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)nc(C)n1 ZINC000272865738 373685646 /nfs/dbraw/zinc/68/56/46/373685646.db2.gz MVZQISBTRGBRKS-HUUCEWRRSA-N 2 1 274.412 2.410 10 0 CEAEMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399153040 375358211 /nfs/dbraw/zinc/35/82/11/375358211.db2.gz CAGPUFSYQCOOAR-ZIAGYGMSSA-N 2 1 254.418 2.002 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc[nH+]c(N)c1 ZINC000306763131 376555018 /nfs/dbraw/zinc/55/50/18/376555018.db2.gz FUWBRPDLKASJFG-CQSZACIVSA-N 2 1 282.391 2.375 10 0 CEAEMP CC[NH2+][C@](C)(CO)CCCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000085240479 184608035 /nfs/dbraw/zinc/60/80/35/184608035.db2.gz JZXDZFILPPUKQK-ZFWWWQNUSA-N 2 1 256.434 2.248 10 0 CEAEMP CCC[NH2+]C[C@@H](CC)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092675845 184620917 /nfs/dbraw/zinc/62/09/17/184620917.db2.gz VVLFSYLSEJPVLL-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[N@@H+](C[C@@H](O)c1ccccc1)CC1CC[NH2+]CC1 ZINC000094026092 184751798 /nfs/dbraw/zinc/75/17/98/184751798.db2.gz PEWOSRRLJYDNQZ-QGZVFWFLSA-N 2 1 276.424 2.430 10 0 CEAEMP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173976260 285526241 /nfs/dbraw/zinc/52/62/41/285526241.db2.gz BDMRWAYPYGNVJM-CQSZACIVSA-N 2 1 283.375 2.146 10 0 CEAEMP CCc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc(C)[nH+]1 ZINC000088760568 135057106 /nfs/dbraw/zinc/05/71/06/135057106.db2.gz UDQDVRUMPLCTFN-ZFWWWQNUSA-N 2 1 274.412 2.316 10 0 CEAEMP C[C@H]([NH3+])C(C)(C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000091402477 135068864 /nfs/dbraw/zinc/06/88/64/135068864.db2.gz ZAAUKBOGWIJDCI-ZDUSSCGKSA-N 2 1 279.403 2.321 10 0 CEAEMP C[C@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000092957680 135077722 /nfs/dbraw/zinc/07/77/22/135077722.db2.gz OGJWXEYKYOTKHH-ZIAGYGMSSA-N 2 1 293.842 2.460 10 0 CEAEMP c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)c(C[NH2+]C2CC2)c1 ZINC000094443201 135088551 /nfs/dbraw/zinc/08/85/51/135088551.db2.gz GRIXZXXKSSBXHV-MRXNPFEDSA-N 2 1 286.423 2.008 10 0 CEAEMP CC(C)[NH2+]Cc1ccnc(N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000094443165 135088705 /nfs/dbraw/zinc/08/87/05/135088705.db2.gz QQADURHITFJGPY-MRXNPFEDSA-N 2 1 288.439 2.254 10 0 CEAEMP CCC[NH2+]Cc1cccnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094443208 135088731 /nfs/dbraw/zinc/08/87/31/135088731.db2.gz HYZOUWICJIBPBP-MRXNPFEDSA-N 2 1 288.439 2.256 10 0 CEAEMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000343518271 395039939 /nfs/dbraw/zinc/03/99/39/395039939.db2.gz SVCAQIMFSBRXCM-SBJFKYEJSA-N 2 1 254.418 2.262 10 0 CEAEMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000381143304 395172286 /nfs/dbraw/zinc/17/22/86/395172286.db2.gz KAPLKHCSBTUSRI-XIRDDKMYSA-N 2 1 274.408 2.351 10 0 CEAEMP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381719054 395176616 /nfs/dbraw/zinc/17/66/16/395176616.db2.gz RHXFGIHSIBUOPW-QWHCGFSZSA-N 2 1 258.356 2.497 10 0 CEAEMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261637423 153792291 /nfs/dbraw/zinc/79/22/91/153792291.db2.gz BWXUHXQBWWJRQW-HNNXBMFYSA-N 2 1 278.396 2.263 10 0 CEAEMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261637423 153792294 /nfs/dbraw/zinc/79/22/94/153792294.db2.gz BWXUHXQBWWJRQW-HNNXBMFYSA-N 2 1 278.396 2.263 10 0 CEAEMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000019267232 170765201 /nfs/dbraw/zinc/76/52/01/170765201.db2.gz LGGZQCQFQDJSAX-CQSZACIVSA-N 2 1 266.360 2.021 10 0 CEAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365732 171164361 /nfs/dbraw/zinc/16/43/61/171164361.db2.gz YJCNPWMGJHMQQF-ZIAGYGMSSA-N 2 1 271.449 2.001 10 0 CEAEMP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671245 174368782 /nfs/dbraw/zinc/36/87/82/174368782.db2.gz SCQGSAJXVNYTLK-QGZVFWFLSA-N 2 1 289.467 2.233 10 0 CEAEMP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671245 174368784 /nfs/dbraw/zinc/36/87/84/174368784.db2.gz SCQGSAJXVNYTLK-QGZVFWFLSA-N 2 1 289.467 2.233 10 0 CEAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043098878 174967082 /nfs/dbraw/zinc/96/70/82/174967082.db2.gz OLFZJGWNVOIPRL-XHDPSFHLSA-N 2 1 259.353 2.391 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC[N@@H+](C)CC1 ZINC000043363932 175025105 /nfs/dbraw/zinc/02/51/05/175025105.db2.gz FKODOIFEQZKTHS-ZFWWWQNUSA-N 2 1 265.401 2.004 10 0 CEAEMP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818345 175113128 /nfs/dbraw/zinc/11/31/28/175113128.db2.gz HZUPZQCOKAWVJQ-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970735 175131985 /nfs/dbraw/zinc/13/19/85/175131985.db2.gz UEWOEOYVUKZEAR-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970973 175132062 /nfs/dbraw/zinc/13/20/62/175132062.db2.gz QTMAYHYNPZESGE-CVEARBPZSA-N 2 1 286.460 2.282 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970973 175132063 /nfs/dbraw/zinc/13/20/63/175132063.db2.gz QTMAYHYNPZESGE-CVEARBPZSA-N 2 1 286.460 2.282 10 0 CEAEMP CCCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135066 175312604 /nfs/dbraw/zinc/31/26/04/175312604.db2.gz WLKYMAHIXZXSOA-HUUCEWRRSA-N 2 1 283.460 2.001 10 0 CEAEMP CCCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045135066 175312606 /nfs/dbraw/zinc/31/26/06/175312606.db2.gz WLKYMAHIXZXSOA-HUUCEWRRSA-N 2 1 283.460 2.001 10 0 CEAEMP CC(C)C[C@@H]1CSC(NCCc2[nH+]ccn2C)=[NH+]1 ZINC000045136085 175313250 /nfs/dbraw/zinc/31/32/50/175313250.db2.gz YICNPLVWGJWKPC-LLVKDONJSA-N 2 1 266.414 2.070 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045171406 175321345 /nfs/dbraw/zinc/32/13/45/175321345.db2.gz ORKBGXVJKPDODB-SMDDNHRTSA-N 2 1 264.417 2.029 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[NH+]1CCCCCCC1 ZINC000045371391 175364393 /nfs/dbraw/zinc/36/43/93/175364393.db2.gz REBUQAYKDOWDJJ-HNNXBMFYSA-N 2 1 270.417 2.313 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376091 175366644 /nfs/dbraw/zinc/36/66/44/175366644.db2.gz YTPHYERTANZQPR-GOEBONIOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045387417 175372692 /nfs/dbraw/zinc/37/26/92/175372692.db2.gz OQPZPAIEBULYKS-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045387417 175372693 /nfs/dbraw/zinc/37/26/93/175372693.db2.gz OQPZPAIEBULYKS-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390675 175374686 /nfs/dbraw/zinc/37/46/86/175374686.db2.gz QGXHSPDXNSNMRS-INIZCTEOSA-N 2 1 281.444 2.027 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419969 175377645 /nfs/dbraw/zinc/37/76/45/175377645.db2.gz WYWYYIHSYAJDQB-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CC1CC1)C(=O)OCC ZINC000045419969 175377646 /nfs/dbraw/zinc/37/76/46/175377646.db2.gz WYWYYIHSYAJDQB-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419963 175377827 /nfs/dbraw/zinc/37/78/27/175377827.db2.gz QKXIADJXMRIGSD-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)CC1CC1)C(=O)OCC ZINC000045419963 175377828 /nfs/dbraw/zinc/37/78/28/175377828.db2.gz QKXIADJXMRIGSD-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420995 175380063 /nfs/dbraw/zinc/38/00/63/175380063.db2.gz XTUSCIKCZLXUIL-BBRMVZONSA-N 2 1 285.476 2.377 10 0 CEAEMP CCCc1[nH+]ccn1[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000070423791 175920867 /nfs/dbraw/zinc/92/08/67/175920867.db2.gz XIJKSDGQLDMZHJ-WFASDCNBSA-N 2 1 257.337 2.469 10 0 CEAEMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000665299435 415688376 /nfs/dbraw/zinc/68/83/76/415688376.db2.gz MYKOSKNMLPKCNO-ZJUUUORDSA-N 2 1 273.302 2.188 10 0 CEAEMP C[N@@H+](C[C@H](C[NH3+])c1ccccc1)CC1CCOCC1 ZINC000070943341 176015912 /nfs/dbraw/zinc/01/59/12/176015912.db2.gz NIXZFIVNCQCDJM-INIZCTEOSA-N 2 1 262.397 2.087 10 0 CEAEMP CC[C@@H]1CN(C[C@@H](C)C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000070942715 176016026 /nfs/dbraw/zinc/01/60/26/176016026.db2.gz SKUSJUOJWUTEIH-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+][C@@H]1CCCN(CCCC[N@@H+](C)C(C)C)C1=O ZINC000071034899 176024932 /nfs/dbraw/zinc/02/49/32/176024932.db2.gz JEIHCTLVWSLKBO-OAHLLOKOSA-N 2 1 283.460 2.097 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071044741 176029799 /nfs/dbraw/zinc/02/97/99/176029799.db2.gz VWKTUHLJSVXCNO-INIZCTEOSA-N 2 1 262.397 2.361 10 0 CEAEMP CC[C@@H]1CCC[C@@H]([N@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147385 176043607 /nfs/dbraw/zinc/04/36/07/176043607.db2.gz VPKLLSXEVTYIDO-HZPDHXFCSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188215 176062948 /nfs/dbraw/zinc/06/29/48/176062948.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 2 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188215 176062949 /nfs/dbraw/zinc/06/29/49/176062949.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188215 176062950 /nfs/dbraw/zinc/06/29/50/176062950.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188215 176062952 /nfs/dbraw/zinc/06/29/52/176062952.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188215 176062953 /nfs/dbraw/zinc/06/29/53/176062953.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 3 1 267.461 2.024 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188112 176063042 /nfs/dbraw/zinc/06/30/42/176063042.db2.gz XZXUBOSTVLIFFA-WOSRLPQWSA-N 2 1 279.403 2.098 10 0 CEAEMP CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188900 176063646 /nfs/dbraw/zinc/06/36/46/176063646.db2.gz OEKZEAXZMKUDGY-QBPKDAKJSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188810 176063651 /nfs/dbraw/zinc/06/36/51/176063651.db2.gz ARHSWVWFUOWJPD-ZTFGCOKTSA-N 2 1 287.451 2.145 10 0 CEAEMP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188686 176063892 /nfs/dbraw/zinc/06/38/92/176063892.db2.gz QMWPGRRIVZPOFM-PVAVHDDUSA-N 2 1 275.440 2.349 10 0 CEAEMP CC(C)[C@H]1CC[C@@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190578 176066516 /nfs/dbraw/zinc/06/65/16/176066516.db2.gz DRGJHKJCSCSYOW-QKPAOTATSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190578 176066518 /nfs/dbraw/zinc/06/65/18/176066518.db2.gz DRGJHKJCSCSYOW-QKPAOTATSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190578 176066519 /nfs/dbraw/zinc/06/65/19/176066519.db2.gz DRGJHKJCSCSYOW-QKPAOTATSA-N 2 1 268.445 2.056 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191400 176069980 /nfs/dbraw/zinc/06/99/80/176069980.db2.gz OYVKOTMVUPMOHS-IXDOHACOSA-N 2 1 281.488 2.428 10 0 CEAEMP Cc1ccsc1C[NH2+]CCN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192395 176073226 /nfs/dbraw/zinc/07/32/26/176073226.db2.gz VJPDEXMCQZPTRW-AWEZNQCLSA-N 2 1 281.469 2.030 10 0 CEAEMP C[N@@H+](CCCCCC[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000071289119 176110354 /nfs/dbraw/zinc/11/03/54/176110354.db2.gz DPMIRNGJRGRLLB-HNNXBMFYSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](CCCCCC(=O)OCC)C1 ZINC000071297942 176112790 /nfs/dbraw/zinc/11/27/90/176112790.db2.gz KEZKLJGPFNVZPH-HNNXBMFYSA-N 2 1 284.444 2.431 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC(C)(C)[NH2+]C[C@H]1C(C)(C)C ZINC000071342879 176130583 /nfs/dbraw/zinc/13/05/83/176130583.db2.gz QDRFFMGCURGJTJ-AWEZNQCLSA-N 2 1 278.444 2.290 10 0 CEAEMP CC(C)[C@@H](CC[NH3+])CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000079279954 177463206 /nfs/dbraw/zinc/46/32/06/177463206.db2.gz GDOBTSYOPRCRHS-CABCVRRESA-N 2 1 256.434 2.498 10 0 CEAEMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH2+]CC1)C1CC1 ZINC000423066132 270825607 /nfs/dbraw/zinc/82/56/07/270825607.db2.gz WBQBSRHRYPUIFB-SFHVURJKSA-N 2 1 287.451 2.239 10 0 CEAEMP CCC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000245663751 276038178 /nfs/dbraw/zinc/03/81/78/276038178.db2.gz IGPHWIWWAMIUNK-HUUCEWRRSA-N 2 1 283.460 2.097 10 0 CEAEMP CC1CCC(C[N@@H+]2CCO[C@@H](CN(C)C)C2)CC1 ZINC000156650200 289200036 /nfs/dbraw/zinc/20/00/36/289200036.db2.gz XZPXXDWXPYJYGA-NRXISQOPSA-N 2 1 254.418 2.075 10 0 CEAEMP CC1CCC(C[N@H+]2CCO[C@@H](CN(C)C)C2)CC1 ZINC000156650200 289200039 /nfs/dbraw/zinc/20/00/39/289200039.db2.gz XZPXXDWXPYJYGA-NRXISQOPSA-N 2 1 254.418 2.075 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629298 519613863 /nfs/dbraw/zinc/61/38/63/519613863.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 3 1 253.434 2.061 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629298 519613872 /nfs/dbraw/zinc/61/38/72/519613872.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 3 1 253.434 2.061 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182190 519720173 /nfs/dbraw/zinc/72/01/73/519720173.db2.gz MQSWHLPLVXLQDK-AWEZNQCLSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069311262 518761439 /nfs/dbraw/zinc/76/14/39/518761439.db2.gz NZKQQMDFCZFRDS-ZDUSSCGKSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCOCC2(C)C)O1 ZINC000052546198 518763389 /nfs/dbraw/zinc/76/33/89/518763389.db2.gz OSTIWXMIWQZIFC-ZIAGYGMSSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629298 519613859 /nfs/dbraw/zinc/61/38/59/519613859.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 3 1 253.434 2.061 10 0 CEAEMP CC(C)[N@@H+](CCN1CCC[NH2+]CC1)Cc1ccccc1 ZINC000061274920 519646185 /nfs/dbraw/zinc/64/61/85/519646185.db2.gz YJGPUSDGGUUGJX-UHFFFAOYSA-N 2 1 275.440 2.192 10 0 CEAEMP CC(C)C[N@@H+](CCC[C@H]1CCC[NH2+]1)CCN(C)C ZINC000052764553 519715987 /nfs/dbraw/zinc/71/59/87/519715987.db2.gz ARLNKLMIFZWHPK-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419885 519720828 /nfs/dbraw/zinc/72/08/28/519720828.db2.gz ZVKMREPYLQDDGM-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654406 519743308 /nfs/dbraw/zinc/74/33/08/519743308.db2.gz SZGWZYAZVDYOIJ-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452833 519745149 /nfs/dbraw/zinc/74/51/49/519745149.db2.gz OKKAPYQLEPZWPI-LSDHHAIUSA-N 2 1 256.434 2.367 10 0 CEAEMP CC(C)[C@@H]1C[N@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062660565 519804383 /nfs/dbraw/zinc/80/43/83/519804383.db2.gz ICSRTQWIVIXSDJ-INIZCTEOSA-N 2 1 262.397 2.385 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062660565 519804384 /nfs/dbraw/zinc/80/43/84/519804384.db2.gz ICSRTQWIVIXSDJ-INIZCTEOSA-N 2 1 262.397 2.385 10 0 CEAEMP CCCC1CC[NH+]([C@@H]2CC3(CC[C@H]2[NH2+]C)OCCO3)CC1 ZINC000050893619 519903474 /nfs/dbraw/zinc/90/34/74/519903474.db2.gz ZCXFPDJXQXDEKM-HZPDHXFCSA-N 2 1 296.455 2.382 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CN(C)C)C(C)C ZINC000054629127 519910972 /nfs/dbraw/zinc/91/09/72/519910972.db2.gz UQJMTDNARLCABJ-UYTSQGDYSA-N 2 1 267.461 2.178 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CN(C)C)C(C)C ZINC000054629127 519910975 /nfs/dbraw/zinc/91/09/75/519910975.db2.gz UQJMTDNARLCABJ-UYTSQGDYSA-N 2 1 267.461 2.178 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181776 519912065 /nfs/dbraw/zinc/91/20/65/519912065.db2.gz FCENVERWUVGZKQ-ZDUSSCGKSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000053011642 519975808 /nfs/dbraw/zinc/97/58/08/519975808.db2.gz NCPBDUKKWACSQU-OAHLLOKOSA-N 2 1 292.423 2.178 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](CCCOC)CCOC)c1 ZINC000052543227 520003670 /nfs/dbraw/zinc/00/36/70/520003670.db2.gz XJZRHYWCACCDFI-UHFFFAOYSA-N 2 1 294.439 2.281 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](C)CCc1ccncc1 ZINC000052483073 520011475 /nfs/dbraw/zinc/01/14/75/520011475.db2.gz BETBWGDFMKASDY-UHFFFAOYSA-N 2 1 273.380 2.459 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637668 520042274 /nfs/dbraw/zinc/04/22/74/520042274.db2.gz ZUMMPALWEWLADR-ZBFHGGJFSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637668 520042280 /nfs/dbraw/zinc/04/22/80/520042280.db2.gz ZUMMPALWEWLADR-ZBFHGGJFSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648666 520118087 /nfs/dbraw/zinc/11/80/87/520118087.db2.gz LDHUWHZETFYFNS-SWLSCSKDSA-N 2 1 280.416 2.201 10 0 CEAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCC[N@@H+](C)C(C)C ZINC000045700609 520656508 /nfs/dbraw/zinc/65/65/08/520656508.db2.gz BZUDJQWERWWASX-HUUCEWRRSA-N 2 1 285.476 2.390 10 0 CEAEMP CC[N@@H+](CC1CC1)C[C@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069262723 520956837 /nfs/dbraw/zinc/95/68/37/520956837.db2.gz QHGNGFUEPMVRIZ-MRXNPFEDSA-N 2 1 268.445 2.371 10 0 CEAEMP CC[N@@H+](CCC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCCO1 ZINC000050953282 521039438 /nfs/dbraw/zinc/03/94/38/521039438.db2.gz KUEDGQYLUKOEMJ-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC(CC)[N@@H+](CCO)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183531 521553353 /nfs/dbraw/zinc/55/33/53/521553353.db2.gz RAQYWMLECZJGOX-UHFFFAOYSA-N 2 1 298.471 2.018 10 0 CEAEMP CC[NH+]1CCN(c2nc(C)c(C[NH2+]CC(C)C)s2)CC1 ZINC000054994825 521701195 /nfs/dbraw/zinc/70/11/95/521701195.db2.gz MNNVPTGBOFWIIW-UHFFFAOYSA-N 2 1 296.484 2.339 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517752 522061370 /nfs/dbraw/zinc/06/13/70/522061370.db2.gz DNCVMDNBJBTHCN-ARFHVFGLSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCCC[NH2+]CC(C)C)CC1 ZINC000055073655 522118704 /nfs/dbraw/zinc/11/87/04/522118704.db2.gz LKJBBJRLJHYQGL-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CCc1[nH+]ccn1CCOc1ccc(C[NH2+]C)cc1 ZINC000052593018 522582880 /nfs/dbraw/zinc/58/28/80/522582880.db2.gz HXFIRKMQQHHICJ-UHFFFAOYSA-N 2 1 259.353 2.244 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052511444 522594607 /nfs/dbraw/zinc/59/46/07/522594607.db2.gz KSOFFHIVSMHWMS-LBPRGKRZSA-N 2 1 254.374 2.244 10 0 CEAEMP C[N@@H+](CCN1CCC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000061275202 522831789 /nfs/dbraw/zinc/83/17/89/522831789.db2.gz IUTRHDINDHGKTJ-UHFFFAOYSA-N 2 1 281.831 2.067 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570848 523343738 /nfs/dbraw/zinc/34/37/38/523343738.db2.gz DXZCPLUTBIWSAO-KKUMJFAQSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570848 523343746 /nfs/dbraw/zinc/34/37/46/523343746.db2.gz DXZCPLUTBIWSAO-KKUMJFAQSA-N 2 1 256.434 2.367 10 0 CEAEMP C[N@H+](Cc1cccnc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181812 523418618 /nfs/dbraw/zinc/41/86/18/523418618.db2.gz RJUIPBOIIOINGO-UHFFFAOYSA-N 2 1 289.423 2.062 10 0 CEAEMP C[N@@H+](Cc1cccnc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181812 523418625 /nfs/dbraw/zinc/41/86/25/523418625.db2.gz RJUIPBOIIOINGO-UHFFFAOYSA-N 2 1 289.423 2.062 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197582 523514446 /nfs/dbraw/zinc/51/44/46/523514446.db2.gz ZVXXFPIGOCYQAO-GDBMZVCRSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197582 523514455 /nfs/dbraw/zinc/51/44/55/523514455.db2.gz ZVXXFPIGOCYQAO-GDBMZVCRSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[C@@](C)(C[NH2+]C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000051211933 523639973 /nfs/dbraw/zinc/63/99/73/523639973.db2.gz XKTRAKBYYMEMSB-KRWDZBQOSA-N 2 1 275.440 2.444 10 0 CEAEMP COCC[N@@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CC1 ZINC000052183071 523689332 /nfs/dbraw/zinc/68/93/32/523689332.db2.gz GIPHXUWELVWPEA-UHFFFAOYSA-N 2 1 298.471 2.282 10 0 CEAEMP COCC[N@@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052542526 523731174 /nfs/dbraw/zinc/73/11/74/523731174.db2.gz YAQPWOUETJKEAO-GJZGRUSLSA-N 2 1 284.444 2.033 10 0 CEAEMP COCC[NH2+]Cc1cc(F)c(-n2cc[nH+]c2C)c(F)c1 ZINC000062738611 523949737 /nfs/dbraw/zinc/94/97/37/523949737.db2.gz SYODDZCFBPHTRN-UHFFFAOYSA-N 2 1 281.306 2.195 10 0 CEAEMP COCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000062738599 523951109 /nfs/dbraw/zinc/95/11/09/523951109.db2.gz FPPKMTLDSRYARR-UHFFFAOYSA-N 2 1 263.316 2.056 10 0 CEAEMP C[N@@H+]1CC[C@H](Cn2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052853048 523982235 /nfs/dbraw/zinc/98/22/35/523982235.db2.gz JZVUABBQVDLLKU-NSHDSACASA-N 2 1 270.380 2.448 10 0 CEAEMP C[N@H+]1CC[C@H](Cn2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052853048 523982237 /nfs/dbraw/zinc/98/22/37/523982237.db2.gz JZVUABBQVDLLKU-NSHDSACASA-N 2 1 270.380 2.448 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cncs1)C2 ZINC000054788253 524031402 /nfs/dbraw/zinc/03/14/02/524031402.db2.gz YITMGDJQAZQBQS-YOGCLGLASA-N 2 1 251.399 2.106 10 0 CEAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658287 524130836 /nfs/dbraw/zinc/13/08/36/524130836.db2.gz UAARXNHEQNNIRO-YPMHNXCESA-N 2 1 260.385 2.376 10 0 CEAEMP C[C@H](CCC[NH2+]C1CC1)OCC[C@@H]1CCC[N@H+]1C ZINC000052673542 524142763 /nfs/dbraw/zinc/14/27/63/524142763.db2.gz PHENOPYGHUDDPT-HIFRSBDPSA-N 2 1 254.418 2.408 10 0 CEAEMP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053011697 524453047 /nfs/dbraw/zinc/45/30/47/524453047.db2.gz PNECUXSRCNGJHF-ZDUSSCGKSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053011697 524453056 /nfs/dbraw/zinc/45/30/56/524453056.db2.gz PNECUXSRCNGJHF-ZDUSSCGKSA-N 2 1 260.381 2.269 10 0 CEAEMP C[C@H]1C[N@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052382413 524608554 /nfs/dbraw/zinc/60/85/54/524608554.db2.gz KDSXCMXBWDDKTM-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052382413 524608563 /nfs/dbraw/zinc/60/85/63/524608563.db2.gz KDSXCMXBWDDKTM-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC2)CCO1 ZINC000052382741 524636664 /nfs/dbraw/zinc/63/66/64/524636664.db2.gz VYYWAXALUDGQMO-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CCO1 ZINC000052382741 524636672 /nfs/dbraw/zinc/63/66/72/524636672.db2.gz VYYWAXALUDGQMO-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052382319 525001586 /nfs/dbraw/zinc/00/15/86/525001586.db2.gz NZQDDMFSBJPSBQ-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052382319 525001594 /nfs/dbraw/zinc/00/15/94/525001594.db2.gz NZQDDMFSBJPSBQ-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP Cc1c(C)n([C@@H](C)CC[NH+](C)C)c2nc[nH+]c(N)c12 ZINC000049559812 525688433 /nfs/dbraw/zinc/68/84/33/525688433.db2.gz RYSBWIFTYVIIFS-VIFPVBQESA-N 2 1 261.373 2.143 10 0 CEAEMP c1ccc(C[C@@H]2C[N@H+](C[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000062668029 526477328 /nfs/dbraw/zinc/47/73/28/526477328.db2.gz RQGHYZWCHOMHNH-SJORKVTESA-N 2 1 274.408 2.072 10 0 CEAEMP c1ccc(C[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000062668029 526477330 /nfs/dbraw/zinc/47/73/30/526477330.db2.gz RQGHYZWCHOMHNH-SJORKVTESA-N 2 1 274.408 2.072 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)on1 ZINC000052373098 527248098 /nfs/dbraw/zinc/24/80/98/527248098.db2.gz XRZRQWPOZODDFK-CYBMUJFWSA-N 2 1 257.337 2.123 10 0 CEAEMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000052758462 527253736 /nfs/dbraw/zinc/25/37/36/527253736.db2.gz VSONPLQREYPMNK-AWEZNQCLSA-N 2 1 266.360 2.021 10 0 CEAEMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009631 628242151 /nfs/dbraw/zinc/24/21/51/628242151.db2.gz YIJSCALGRVOVFU-MGPQQGTHSA-N 2 1 299.459 2.314 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553160 628936751 /nfs/dbraw/zinc/93/67/51/628936751.db2.gz SESSNRWAFOAXPJ-QXAKKESOSA-N 2 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553160 628936753 /nfs/dbraw/zinc/93/67/53/628936753.db2.gz SESSNRWAFOAXPJ-QXAKKESOSA-N 3 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553160 628936756 /nfs/dbraw/zinc/93/67/56/628936756.db2.gz SESSNRWAFOAXPJ-QXAKKESOSA-N 3 1 299.462 2.239 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000261606188 628946377 /nfs/dbraw/zinc/94/63/77/628946377.db2.gz RMCHZKLPJIECOG-NILFDRSVSA-N 2 1 280.799 2.388 10 0 CEAEMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261622815 628950811 /nfs/dbraw/zinc/95/08/11/628950811.db2.gz DOKPLXXJBPXSLA-WBVHZDCISA-N 2 1 284.407 2.201 10 0 CEAEMP C[NH+](C)CCN1CCC[C@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096071419 185086829 /nfs/dbraw/zinc/08/68/29/185086829.db2.gz PDTZKFSIBWLBRO-KRWDZBQOSA-N 2 1 291.439 2.272 10 0 CEAEMP CC(C)CC[N@@H+](CCCC[C@@](C)(O)C[NH3+])C1CC1 ZINC000096837356 185116375 /nfs/dbraw/zinc/11/63/75/185116375.db2.gz XXHSDPDGNACKDS-OAHLLOKOSA-N 2 1 256.434 2.377 10 0 CEAEMP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000226465276 344550419 /nfs/dbraw/zinc/55/04/19/344550419.db2.gz XIIBJLPXGWXZBW-ZDUSSCGKSA-N 2 1 266.360 2.408 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000226465276 344550420 /nfs/dbraw/zinc/55/04/20/344550420.db2.gz XIIBJLPXGWXZBW-ZDUSSCGKSA-N 2 1 266.360 2.408 10 0 CEAEMP C[C@@H]1CC2(CC[N@@H+](CCC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000584640947 344972261 /nfs/dbraw/zinc/97/22/61/344972261.db2.gz WIKJZUNLRCPHQY-ZIAGYGMSSA-N 2 1 254.418 2.218 10 0 CEAEMP C[NH2+]Cc1cc(Br)cnc1-n1cc[nH+]c1C ZINC000084544482 178899504 /nfs/dbraw/zinc/89/95/04/178899504.db2.gz DBMLFZHHXNRCHS-UHFFFAOYSA-N 2 1 281.157 2.058 10 0 CEAEMP C[C@@H](C[NH3+])CN1CCC[N@H+](C2CCC(C)CC2)CC1 ZINC000085070155 178946966 /nfs/dbraw/zinc/94/69/66/178946966.db2.gz NXWNRTUMWBTLEY-PCKAHOCUSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC(CC)[N@@H+](CCCC[C@@](C)(O)C[NH3+])CCOC ZINC000085301543 179009747 /nfs/dbraw/zinc/00/97/47/179009747.db2.gz NKWZCLVMXKAIHA-OAHLLOKOSA-N 2 1 274.449 2.003 10 0 CEAEMP C[N@@H+](CCCC[C@](C)(O)C[NH3+])CC1CCCCC1 ZINC000085301638 179010661 /nfs/dbraw/zinc/01/06/61/179010661.db2.gz GHWMVTPCWJCWET-HNNXBMFYSA-N 2 1 256.434 2.379 10 0 CEAEMP CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085528386 179090342 /nfs/dbraw/zinc/09/03/42/179090342.db2.gz LLNIPHUWXVEOOW-CVEARBPZSA-N 2 1 276.428 2.044 10 0 CEAEMP CCCc1nc2c(n1C[C@@H]1CC[N@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572505 179096853 /nfs/dbraw/zinc/09/68/53/179096853.db2.gz KKODFVIIGQTTPY-CQSZACIVSA-N 2 1 290.455 2.212 10 0 CEAEMP CCC1(CC)C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085617485 179103606 /nfs/dbraw/zinc/10/36/06/179103606.db2.gz AJVKPLMLLZRZLX-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623669 179105552 /nfs/dbraw/zinc/10/55/52/179105552.db2.gz YCYSHJBBKDOSIJ-QEJZJMRPSA-N 2 1 252.402 2.018 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1Cc1ccccn1 ZINC000085623684 179105988 /nfs/dbraw/zinc/10/59/88/179105988.db2.gz MAHZFLRFMAHVOC-CZUORRHYSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1Cc1ccccn1 ZINC000085623684 179105990 /nfs/dbraw/zinc/10/59/90/179105990.db2.gz MAHZFLRFMAHVOC-CZUORRHYSA-N 2 1 259.397 2.434 10 0 CEAEMP CC[C@H]([NH3+])Cc1ccc(N2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000111511353 136562984 /nfs/dbraw/zinc/56/29/84/136562984.db2.gz HCKLYPPVDJASKQ-AWEZNQCLSA-N 2 1 291.414 2.390 10 0 CEAEMP C[C@@H]1CN[C@@H](Cc2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086174301 179245656 /nfs/dbraw/zinc/24/56/56/179245656.db2.gz ULKGADNLNFBVNH-AEFFLSMTSA-N 2 1 289.467 2.233 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCCC[NH+](C)C ZINC000086174301 179245657 /nfs/dbraw/zinc/24/56/57/179245657.db2.gz ULKGADNLNFBVNH-AEFFLSMTSA-N 2 1 289.467 2.233 10 0 CEAEMP CC[C@@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223044 179251201 /nfs/dbraw/zinc/25/12/01/179251201.db2.gz KWYBSMGXXBRCRR-OAGGEKHMSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086225429 179253474 /nfs/dbraw/zinc/25/34/74/179253474.db2.gz JOZPVFDPRPPRJW-RRFJBIMHSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225379 179253525 /nfs/dbraw/zinc/25/35/25/179253525.db2.gz RAQJKXGKLWTJRC-GVDBMIGSSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259208 179258317 /nfs/dbraw/zinc/25/83/17/179258317.db2.gz ZFLSCRZRLAVYLQ-NXHRZFHOSA-N 2 1 293.499 2.427 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288736 179264146 /nfs/dbraw/zinc/26/41/46/179264146.db2.gz OZTLHVHKWKCLBR-MRXNPFEDSA-N 2 1 259.397 2.088 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288737 179264320 /nfs/dbraw/zinc/26/43/20/179264320.db2.gz OZTLHVHKWKCLBR-INIZCTEOSA-N 2 1 259.397 2.088 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288766 179264704 /nfs/dbraw/zinc/26/47/04/179264704.db2.gz VJZNWRQLKGOBMB-HNNXBMFYSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)[C@H]1CNC(C)(C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259030 179256462 /nfs/dbraw/zinc/25/64/62/179256462.db2.gz WNIJJWNAYOJPMA-OAHLLOKOSA-N 2 1 267.461 2.037 10 0 CEAEMP CCC[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293000 179266345 /nfs/dbraw/zinc/26/63/45/179266345.db2.gz FQVAPDXTDAHQCT-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293858 179267534 /nfs/dbraw/zinc/26/75/34/179267534.db2.gz DITHFUDWNQXRBZ-GJZGRUSLSA-N 2 1 260.381 2.064 10 0 CEAEMP CC[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293858 179267535 /nfs/dbraw/zinc/26/75/35/179267535.db2.gz DITHFUDWNQXRBZ-GJZGRUSLSA-N 2 1 260.381 2.064 10 0 CEAEMP CC(C)[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293901 179267665 /nfs/dbraw/zinc/26/76/65/179267665.db2.gz AXJHDYMHGQFXAV-JKSUJKDBSA-N 2 1 274.408 2.310 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293901 179267668 /nfs/dbraw/zinc/26/76/68/179267668.db2.gz AXJHDYMHGQFXAV-JKSUJKDBSA-N 2 1 274.408 2.310 10 0 CEAEMP CC[C@H]1C[N@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296773 179267757 /nfs/dbraw/zinc/26/77/57/179267757.db2.gz KIFFVUHQLOLZTK-LBPRGKRZSA-N 2 1 253.415 2.068 10 0 CEAEMP CC[C@H]1C[N@@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296773 179267760 /nfs/dbraw/zinc/26/77/60/179267760.db2.gz KIFFVUHQLOLZTK-LBPRGKRZSA-N 2 1 253.415 2.068 10 0 CEAEMP Cc1cccc(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086293954 179267806 /nfs/dbraw/zinc/26/78/06/179267806.db2.gz ZVWLABRXHLLOLN-MRXNPFEDSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086293954 179267809 /nfs/dbraw/zinc/26/78/09/179267809.db2.gz ZVWLABRXHLLOLN-MRXNPFEDSA-N 2 1 259.397 2.354 10 0 CEAEMP CSCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086298454 179269205 /nfs/dbraw/zinc/26/92/05/179269205.db2.gz KYQXYPTUFLWEIC-OAHLLOKOSA-N 2 1 264.438 2.256 10 0 CEAEMP CSCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086298454 179269207 /nfs/dbraw/zinc/26/92/07/179269207.db2.gz KYQXYPTUFLWEIC-OAHLLOKOSA-N 2 1 264.438 2.256 10 0 CEAEMP C[C@H]1CCC[C@@]1(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000086677174 179319106 /nfs/dbraw/zinc/31/91/06/179319106.db2.gz UQYFLFSAVWRVSZ-RDJZCZTQSA-N 2 1 279.472 2.312 10 0 CEAEMP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086817243 179345291 /nfs/dbraw/zinc/34/52/91/179345291.db2.gz HESVDIAGIHSLHR-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP C[N@H+]1CCC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817350 179345341 /nfs/dbraw/zinc/34/53/41/179345341.db2.gz JVMXMIZUSDXZTP-ZDUSSCGKSA-N 2 1 267.461 2.370 10 0 CEAEMP C[N@@H+]1CCC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817350 179345344 /nfs/dbraw/zinc/34/53/44/179345344.db2.gz JVMXMIZUSDXZTP-ZDUSSCGKSA-N 3 1 267.461 2.370 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817350 179345346 /nfs/dbraw/zinc/34/53/46/179345346.db2.gz JVMXMIZUSDXZTP-ZDUSSCGKSA-N 3 1 267.461 2.370 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2ccc(F)cc2)CC1 ZINC000086848297 179356069 /nfs/dbraw/zinc/35/60/69/179356069.db2.gz LDAJSXCALOQPMN-INIZCTEOSA-N 2 1 279.403 2.465 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848258 179356228 /nfs/dbraw/zinc/35/62/28/179356228.db2.gz BJYFLOCROUVZDN-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356849 /nfs/dbraw/zinc/35/68/49/179356849.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356851 /nfs/dbraw/zinc/35/68/51/179356851.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356853 /nfs/dbraw/zinc/35/68/53/179356853.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356855 /nfs/dbraw/zinc/35/68/55/179356855.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356856 /nfs/dbraw/zinc/35/68/56/179356856.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 2 1 255.450 2.166 10 0 CEAEMP CCN(C1CCCC1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847019 179356991 /nfs/dbraw/zinc/35/69/91/179356991.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+](C1CCCC1)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847019 179356993 /nfs/dbraw/zinc/35/69/93/179356993.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+](C1CCCC1)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847019 179356995 /nfs/dbraw/zinc/35/69/95/179356995.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCC1)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086847019 179356997 /nfs/dbraw/zinc/35/69/97/179356997.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCC1)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086847019 179356999 /nfs/dbraw/zinc/35/69/99/179356999.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP C[N@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086833531 179349929 /nfs/dbraw/zinc/34/99/29/179349929.db2.gz YFMBVBPZGWMTHH-HRCADAONSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840925 179352487 /nfs/dbraw/zinc/35/24/87/179352487.db2.gz NUDNULNALDYOEY-INIZCTEOSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cnc(C)s2)CC1 ZINC000086842558 179353104 /nfs/dbraw/zinc/35/31/04/179353104.db2.gz DBLAVTXMLJJJAV-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2cnc(C)s2)CC1 ZINC000086842558 179353106 /nfs/dbraw/zinc/35/31/06/179353106.db2.gz DBLAVTXMLJJJAV-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCC(=O)N[C@@H](C)CC)CC1 ZINC000086841994 179353901 /nfs/dbraw/zinc/35/39/01/179353901.db2.gz LPKNVCQPTPFKME-GJZGRUSLSA-N 2 1 283.460 2.145 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844761 179354400 /nfs/dbraw/zinc/35/44/00/179354400.db2.gz WSVWOTOZQVPJKD-ZDUSSCGKSA-N 2 1 267.442 2.458 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844104 179354918 /nfs/dbraw/zinc/35/49/18/179354918.db2.gz YZKFOJBFKGWYIS-SHARSMKWSA-N 3 1 253.434 2.110 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851229 179359650 /nfs/dbraw/zinc/35/96/50/179359650.db2.gz MCJBUEUKVGVBKM-INIZCTEOSA-N 3 1 267.461 2.312 10 0 CEAEMP CCOC(=O)C[C@]1([NH+]2CCCC2)CCC[N@@H+](CC)CC1 ZINC000086868524 179360644 /nfs/dbraw/zinc/36/06/44/179360644.db2.gz MVADIOHKCDFKQA-INIZCTEOSA-N 2 1 282.428 2.280 10 0 CEAEMP CC[N@H+]1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849657 179358409 /nfs/dbraw/zinc/35/84/09/179358409.db2.gz ZIGBMEURGPHNBJ-INIZCTEOSA-N 2 1 281.444 2.029 10 0 CEAEMP C[NH2+]CC1CC[NH+]([C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086850960 179359352 /nfs/dbraw/zinc/35/93/52/179359352.db2.gz CUAXWOBTWKMSST-MRXNPFEDSA-N 3 1 267.461 2.181 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086891294 179366239 /nfs/dbraw/zinc/36/62/39/179366239.db2.gz CROVVDPPUYFATI-BZUAXINKSA-N 2 1 267.461 2.310 10 0 CEAEMP C[N@H+]1CCCN([C@@]2(C[NH3+])CCCC(C)(C)CC2)CC1 ZINC000086910571 179367122 /nfs/dbraw/zinc/36/71/22/179367122.db2.gz JHCYLNBEMMHWBJ-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[C@@H]1SCCC[C@@]1(C[NH3+])[NH2+]Cc1cccs1 ZINC000086946371 179367905 /nfs/dbraw/zinc/36/79/05/179367905.db2.gz JBIBHGAISHYLAE-JQWIXIFHSA-N 2 1 256.440 2.451 10 0 CEAEMP CCC[C@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952101 179368742 /nfs/dbraw/zinc/36/87/42/179368742.db2.gz PROHLWCQSMQSRC-JKSUJKDBSA-N 2 1 268.445 2.393 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCCC[C@@H]1CC ZINC000090566098 180005296 /nfs/dbraw/zinc/00/52/96/180005296.db2.gz DGCPYEGTTODRSW-QLFBSQMISA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000090566146 180005676 /nfs/dbraw/zinc/00/56/76/180005676.db2.gz FBWSEHHRTIOORW-UONOGXRCSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000090566146 180005682 /nfs/dbraw/zinc/00/56/82/180005682.db2.gz FBWSEHHRTIOORW-UONOGXRCSA-N 2 1 268.426 2.195 10 0 CEAEMP C[C@@]1(C[N@H+](Cc2ccsc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606767 180011052 /nfs/dbraw/zinc/01/10/52/180011052.db2.gz SACSYGVDKDDZCM-UONOGXRCSA-N 2 1 266.410 2.076 10 0 CEAEMP C[C@@]1(C[N@@H+](Cc2ccsc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606767 180011055 /nfs/dbraw/zinc/01/10/55/180011055.db2.gz SACSYGVDKDDZCM-UONOGXRCSA-N 2 1 266.410 2.076 10 0 CEAEMP C[NH2+][C@H]1CCC[C@H]1C[N@H+](C)Cc1scnc1C ZINC000104449398 186006260 /nfs/dbraw/zinc/00/62/60/186006260.db2.gz PKWSWUKKBILUKD-RYUDHWBXSA-N 2 1 253.415 2.271 10 0 CEAEMP C[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)Cc1scnc1C ZINC000104449398 186006261 /nfs/dbraw/zinc/00/62/61/186006261.db2.gz PKWSWUKKBILUKD-RYUDHWBXSA-N 2 1 253.415 2.271 10 0 CEAEMP C[N@@H+](Cc1csc(CC[NH3+])n1)C1CCCCC1 ZINC000090957955 180074890 /nfs/dbraw/zinc/07/48/90/180074890.db2.gz SLFQDDBWDMMOSL-UHFFFAOYSA-N 2 1 253.415 2.409 10 0 CEAEMP CC(C)[N@H+]1CCO[C@H](Cn2cc(C[NH3+])c3ccccc32)C1 ZINC000090994991 180082795 /nfs/dbraw/zinc/08/27/95/180082795.db2.gz GECZJQQSYGLDQJ-HNNXBMFYSA-N 2 1 287.407 2.209 10 0 CEAEMP CC(C)[NH2+]Cc1cccn1C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000091001067 180083545 /nfs/dbraw/zinc/08/35/45/180083545.db2.gz GGTMDEQKNRVGFV-INIZCTEOSA-N 2 1 279.428 2.095 10 0 CEAEMP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019714 180087994 /nfs/dbraw/zinc/08/79/94/180087994.db2.gz SFOJJYRPMYJOGE-DGCLKSJQSA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019714 180087995 /nfs/dbraw/zinc/08/79/95/180087995.db2.gz SFOJJYRPMYJOGE-DGCLKSJQSA-N 2 1 258.369 2.265 10 0 CEAEMP c1cc(C[N@H+](CC[C@@H]2C[NH2+]CCO2)C2CC2)cs1 ZINC000091313819 180132881 /nfs/dbraw/zinc/13/28/81/180132881.db2.gz POWNAWFSZQQZSP-CQSZACIVSA-N 2 1 266.410 2.091 10 0 CEAEMP CC[N@H+]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC000091362845 180142525 /nfs/dbraw/zinc/14/25/25/180142525.db2.gz YYNDDWLNQNMWEG-QAETUUGQSA-N 2 1 279.472 2.323 10 0 CEAEMP CCn1nc(C[N@@H+](C)CC2CC([NH3+])C2)c2ccccc21 ZINC000091471643 180165780 /nfs/dbraw/zinc/16/57/80/180165780.db2.gz WOKYMMJMXDFYLQ-UHFFFAOYSA-N 2 1 272.396 2.225 10 0 CEAEMP CCC[C@@](C)(C[NH2+]CC)C[N@@H+](C)CC1CC(O)C1 ZINC000091490135 180168796 /nfs/dbraw/zinc/16/87/96/180168796.db2.gz BIKBLOVXWLVHRE-NRXISQOPSA-N 2 1 256.434 2.105 10 0 CEAEMP Cc1ccccc1[C@H]([NH3+])CC[N@@H+](C)CC1CC(O)C1 ZINC000091490363 180170062 /nfs/dbraw/zinc/17/00/62/180170062.db2.gz VINXPRJTXZIVJQ-ZBCRRDGASA-N 2 1 262.397 2.088 10 0 CEAEMP Cc1ccccc1[C@H]([NH3+])CC[N@H+](C)CC1CC(O)C1 ZINC000091490363 180170063 /nfs/dbraw/zinc/17/00/63/180170063.db2.gz VINXPRJTXZIVJQ-ZBCRRDGASA-N 2 1 262.397 2.088 10 0 CEAEMP CCN(CC)[C@](C)(CC)[C@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000091599129 180202028 /nfs/dbraw/zinc/20/20/28/180202028.db2.gz ATAHKMMZECLDBV-GOEBONIOSA-N 2 1 278.444 2.305 10 0 CEAEMP CCC[NH2+][C@H](Cc1cnn(C)c1)C(CC)(CC)[NH+](C)C ZINC000091615033 180208237 /nfs/dbraw/zinc/20/82/37/180208237.db2.gz QPDNGHHEEWGEIG-OAHLLOKOSA-N 2 1 280.460 2.451 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527977 180179977 /nfs/dbraw/zinc/17/99/77/180179977.db2.gz OSMXUNOFLGENOM-NVXWUHKLSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[NH+](CC)C1([C@H](O)Cc2ccc[nH+]c2N)CCCC1 ZINC000091638948 180212169 /nfs/dbraw/zinc/21/21/69/180212169.db2.gz WWMVEFXAOUNQCP-CQSZACIVSA-N 2 1 277.412 2.222 10 0 CEAEMP CCC[NH2+][C@H](Cc1ncnn1CC)C1([NH+](C)C)CCCC1 ZINC000091638504 180212587 /nfs/dbraw/zinc/21/25/87/180212587.db2.gz HOXHWVQPTKCZJU-CQSZACIVSA-N 2 1 293.459 2.083 10 0 CEAEMP CCn1nc(C)cc1C[C@@H]([NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000091640675 180212934 /nfs/dbraw/zinc/21/29/34/180212934.db2.gz YWOFSMPAFXZTDR-MRXNPFEDSA-N 2 1 290.455 2.490 10 0 CEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1(N(C)C)CCCCCC1 ZINC000091654404 180217349 /nfs/dbraw/zinc/21/73/49/180217349.db2.gz MKDQFDDGLPDCLB-OAHLLOKOSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1ccnn1C ZINC000091716890 180232648 /nfs/dbraw/zinc/23/26/48/180232648.db2.gz MDHCKVIMJCHDNU-ZDUSSCGKSA-N 2 1 252.406 2.193 10 0 CEAEMP CC(C)Oc1ccc([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720274 180235065 /nfs/dbraw/zinc/23/50/65/180235065.db2.gz HNRFPSSRJRWJNL-PVAVHDDUSA-N 2 1 290.407 2.337 10 0 CEAEMP CC(C)Oc1ccc([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720274 180235068 /nfs/dbraw/zinc/23/50/68/180235068.db2.gz HNRFPSSRJRWJNL-PVAVHDDUSA-N 2 1 290.407 2.337 10 0 CEAEMP [NH3+][C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720798 180236700 /nfs/dbraw/zinc/23/67/00/180236700.db2.gz ORPPNBCYXMVOLW-KFWWJZLASA-N 2 1 280.799 2.073 10 0 CEAEMP [NH3+][C@H](CCCc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720840 180236715 /nfs/dbraw/zinc/23/67/15/180236715.db2.gz XYZKPXCXPIHWAP-BRWVUGGUSA-N 2 1 274.408 2.200 10 0 CEAEMP CC[NH2+][C@H](C)c1cccn1C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000091802150 180259509 /nfs/dbraw/zinc/25/95/09/180259509.db2.gz BICMHBUCVDQMRO-HUUCEWRRSA-N 2 1 279.428 2.268 10 0 CEAEMP CCC[NH2+][C@H](C1CCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722275 180240597 /nfs/dbraw/zinc/24/05/97/180240597.db2.gz LPXCUNSGIGIRSK-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](C1CCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722275 180240599 /nfs/dbraw/zinc/24/05/99/180240599.db2.gz LPXCUNSGIGIRSK-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCn1nc(C)cc1C[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091850790 180272390 /nfs/dbraw/zinc/27/23/90/180272390.db2.gz OYCKUASCALIOFU-UHFFFAOYSA-N 2 1 264.417 2.303 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCCC[C@@H]1O ZINC000091852391 180272716 /nfs/dbraw/zinc/27/27/16/180272716.db2.gz UZBMOTZEMCLVQN-WUCCLRPBSA-N 2 1 254.418 2.272 10 0 CEAEMP CC(C)N1CCC([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844392 180269392 /nfs/dbraw/zinc/26/93/92/180269392.db2.gz DEWMPMFWLYZLQV-UHFFFAOYSA-N 2 1 253.434 2.061 10 0 CEAEMP CC(C)[NH+]1CCC([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844392 180269394 /nfs/dbraw/zinc/26/93/94/180269394.db2.gz DEWMPMFWLYZLQV-UHFFFAOYSA-N 3 1 253.434 2.061 10 0 CEAEMP CC(C)[NH+]1CCC([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844392 180269395 /nfs/dbraw/zinc/26/93/95/180269395.db2.gz DEWMPMFWLYZLQV-UHFFFAOYSA-N 3 1 253.434 2.061 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000091870455 180276812 /nfs/dbraw/zinc/27/68/12/180276812.db2.gz CMSBQVZKSIZBAK-ZUJMUWTESA-N 2 1 283.460 2.142 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2O)CC1 ZINC000091870459 180276927 /nfs/dbraw/zinc/27/69/27/180276927.db2.gz KVYCJSFTLSSSGU-WUCCLRPBSA-N 2 1 254.418 2.142 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2cccc(C)c2)CC1 ZINC000091870620 180277027 /nfs/dbraw/zinc/27/70/27/180277027.db2.gz WJPNTAIPMKZDPE-UHFFFAOYSA-N 2 1 289.423 2.396 10 0 CEAEMP CCC[NH2+]C1CCC(N(C)c2[nH+]ccn2C)CC1 ZINC000091870774 180277156 /nfs/dbraw/zinc/27/71/56/180277156.db2.gz IYKWXWDMMGRSCS-UHFFFAOYSA-N 2 1 250.390 2.167 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091870562 180277214 /nfs/dbraw/zinc/27/72/14/180277214.db2.gz GMXULRMLHLCJPK-FHERZECASA-N 2 1 295.471 2.240 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)Cc2cc(C)nn2C)CC1 ZINC000091870439 180277337 /nfs/dbraw/zinc/27/73/37/180277337.db2.gz WKXHOVAYVCXIBQ-UHFFFAOYSA-N 2 1 264.417 2.081 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2cccc3c2CCC[C@@H]3[NH3+])C1 ZINC000092051372 180312806 /nfs/dbraw/zinc/31/28/06/180312806.db2.gz LKJBEJNMELIROD-CJNGLKHVSA-N 2 1 290.407 2.122 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2cccc3c2CCC[C@@H]3[NH3+])C1 ZINC000092051372 180312807 /nfs/dbraw/zinc/31/28/07/180312807.db2.gz LKJBEJNMELIROD-CJNGLKHVSA-N 2 1 290.407 2.122 10 0 CEAEMP C[C@@H]([NH3+])c1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092001850 180303957 /nfs/dbraw/zinc/30/39/57/180303957.db2.gz MAASQCLTXZHHGH-MCIONIFRSA-N 2 1 259.397 2.379 10 0 CEAEMP CC[NH2+]CC1(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000092003090 180304643 /nfs/dbraw/zinc/30/46/43/180304643.db2.gz ZAOBCTQXSOIKIB-CVEARBPZSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[NH2+]Cc1sc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc1C ZINC000092004873 180305965 /nfs/dbraw/zinc/30/59/65/180305965.db2.gz WZOXBIAFWNVFMA-OLZOCXBDSA-N 2 1 294.468 2.234 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320587 /nfs/dbraw/zinc/32/05/87/180320587.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CN)([NH+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320588 /nfs/dbraw/zinc/32/05/88/180320588.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@](CN)([NH+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320591 /nfs/dbraw/zinc/32/05/91/180320591.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320594 /nfs/dbraw/zinc/32/05/94/180320594.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320596 /nfs/dbraw/zinc/32/05/96/180320596.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP C[C@H](CC(N)=[NH2+])[N@@H+](C)CCSc1ccccc1 ZINC000092262347 180354948 /nfs/dbraw/zinc/35/49/48/180354948.db2.gz KYNRXRPUNWBHDH-LLVKDONJSA-N 2 1 251.399 2.425 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])C[C@@H]1CSc2ccccc21 ZINC000092288244 180357735 /nfs/dbraw/zinc/35/77/35/180357735.db2.gz AGGMAGHZALHPBE-GFCCVEGCSA-N 2 1 293.436 2.150 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])C[C@@H]1CSc2ccccc21 ZINC000092288244 180357736 /nfs/dbraw/zinc/35/77/36/180357736.db2.gz AGGMAGHZALHPBE-GFCCVEGCSA-N 2 1 293.436 2.150 10 0 CEAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000092348161 180367579 /nfs/dbraw/zinc/36/75/79/180367579.db2.gz UXQOLETYLQPZJU-ZDUSSCGKSA-N 2 1 268.364 2.383 10 0 CEAEMP CCNc1cc[nH+]c(CN2CC[N@@H+](C)[C@@H](CC)C2)c1 ZINC000092419222 180382014 /nfs/dbraw/zinc/38/20/14/180382014.db2.gz MXWYJDYSAWAINN-HNNXBMFYSA-N 2 1 262.401 2.039 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000109604096 186268085 /nfs/dbraw/zinc/26/80/85/186268085.db2.gz JVQUBNBVCQJSQZ-OAHLLOKOSA-N 2 1 276.380 2.063 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000109684943 186269118 /nfs/dbraw/zinc/26/91/18/186269118.db2.gz ZANOPPNHRJQQHK-RBSFLKMASA-N 2 1 282.428 2.312 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2C[C@@H]1CCCC[N@H+]1C ZINC000110629949 186307360 /nfs/dbraw/zinc/30/73/60/186307360.db2.gz GPAZBKMURLFDDQ-JTQLQIEISA-N 2 1 292.358 2.251 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H](C)CC1)C(N)=O ZINC000110809304 186326637 /nfs/dbraw/zinc/32/66/37/186326637.db2.gz NUTNLTKJJSQVEQ-ZBFHGGJFSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000110842071 186328297 /nfs/dbraw/zinc/32/82/97/186328297.db2.gz JKAYJEWFUOJDIT-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[C@H]1CN(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)CC[N@H+]1C ZINC000110694765 186313359 /nfs/dbraw/zinc/31/33/59/186313359.db2.gz YTPSZGAQNURWOZ-DOMZBBRYSA-N 2 1 290.411 2.264 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110704125 186314837 /nfs/dbraw/zinc/31/48/37/186314837.db2.gz KQYZOJCCDHCZBH-DAXOMENPSA-N 2 1 279.403 2.240 10 0 CEAEMP CC[C@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CC[N@H+]1C ZINC000110722308 186317241 /nfs/dbraw/zinc/31/72/41/186317241.db2.gz VDBLWUKSICUDKZ-GJZGRUSLSA-N 2 1 274.412 2.080 10 0 CEAEMP C[C@@H]1CN(Cc2occc2C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110751539 186319867 /nfs/dbraw/zinc/31/98/67/186319867.db2.gz UWWVNWJJJDSMEX-CYBMUJFWSA-N 2 1 279.428 2.304 10 0 CEAEMP C[NH2+][C@H](C)c1sc(N2CC[N@@H+](C)C(C)(C)C2)nc1C ZINC000110758729 186319943 /nfs/dbraw/zinc/31/99/43/186319943.db2.gz YSJONWXOIQYRNS-SNVBAGLBSA-N 2 1 282.457 2.262 10 0 CEAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000111175705 186365752 /nfs/dbraw/zinc/36/57/52/186365752.db2.gz QCPUXJXVXUKSMD-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[C@@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111179161 186366053 /nfs/dbraw/zinc/36/60/53/186366053.db2.gz AVKLWFSGRAVHSO-LSDHHAIUSA-N 2 1 254.418 2.125 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324392 186396934 /nfs/dbraw/zinc/39/69/34/186396934.db2.gz NGKLGQUSAFIELF-IAGOWNOFSA-N 2 1 298.471 2.018 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](CC)C2CC2)CCCOC1 ZINC000111324691 186398354 /nfs/dbraw/zinc/39/83/54/186398354.db2.gz YBGBPYUQCPBCIR-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186371058 283173659 /nfs/dbraw/zinc/17/36/59/283173659.db2.gz IIRGUVSUXUSJAM-CVEARBPZSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186371058 283173661 /nfs/dbraw/zinc/17/36/61/283173661.db2.gz IIRGUVSUXUSJAM-CVEARBPZSA-N 2 1 298.471 2.282 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000311773789 540458225 /nfs/dbraw/zinc/45/82/25/540458225.db2.gz YBOFCUSRNRWCGO-ZBFHGGJFSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000311773789 540458231 /nfs/dbraw/zinc/45/82/31/540458231.db2.gz YBOFCUSRNRWCGO-ZBFHGGJFSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1csc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000275548633 193072673 /nfs/dbraw/zinc/07/26/73/193072673.db2.gz NFXDXPFLRDKIFT-LLVKDONJSA-N 2 1 262.382 2.000 10 0 CEAEMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000162616641 367173358 /nfs/dbraw/zinc/17/33/58/367173358.db2.gz PRYDOPYTDAMHAJ-JKSUJKDBSA-N 2 1 297.487 2.201 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000631838606 367579506 /nfs/dbraw/zinc/57/95/06/367579506.db2.gz RAZUBLGRRUYIHI-OCCSQVGLSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000631838606 367579508 /nfs/dbraw/zinc/57/95/08/367579508.db2.gz RAZUBLGRRUYIHI-OCCSQVGLSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC000182026383 368516464 /nfs/dbraw/zinc/51/64/64/368516464.db2.gz QKQGWDPRNOVQRK-DOTOQJQBSA-N 2 1 276.424 2.128 10 0 CEAEMP C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@H](CN(C)C)C1 ZINC000182026383 368516470 /nfs/dbraw/zinc/51/64/70/368516470.db2.gz QKQGWDPRNOVQRK-DOTOQJQBSA-N 2 1 276.424 2.128 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192641225 369838090 /nfs/dbraw/zinc/83/80/90/369838090.db2.gz LRFOTNLBVONZFC-ZNMIVQPWSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192641225 369838092 /nfs/dbraw/zinc/83/80/92/369838092.db2.gz LRFOTNLBVONZFC-ZNMIVQPWSA-N 2 1 254.418 2.121 10 0 CEAEMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1O ZINC000234991058 370553496 /nfs/dbraw/zinc/55/34/96/370553496.db2.gz ZHGAMUNGEIQJHQ-CQSZACIVSA-N 2 1 290.407 2.365 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]cc3Br)C[C@@H]12 ZINC000261566413 371652585 /nfs/dbraw/zinc/65/25/85/371652585.db2.gz DMZLJCJLFLCEIT-IQJOONFLSA-N 2 1 282.185 2.018 10 0 CEAEMP CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)nc(C)n1 ZINC000272865741 373685404 /nfs/dbraw/zinc/68/54/04/373685404.db2.gz MVZQISBTRGBRKS-LSDHHAIUSA-N 2 1 274.412 2.410 10 0 CEAEMP C[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307226637 376560630 /nfs/dbraw/zinc/56/06/30/376560630.db2.gz VUIBAYGKFDAQJI-XYVMCAHJSA-N 2 1 287.451 2.461 10 0 CEAEMP CCC[C@@H]1CCC[N@@H+](CCN2CCC([NH3+])CC2)CC1 ZINC000092721548 184623272 /nfs/dbraw/zinc/62/32/72/184623272.db2.gz CGYMFXLOXCLFNP-OAHLLOKOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@@H+](CC(C)(C)O)CC1(C[NH2+]C)CCCCC1 ZINC000092983443 184640493 /nfs/dbraw/zinc/64/04/93/184640493.db2.gz FEQZCKLTFZCVJS-UHFFFAOYSA-N 2 1 256.434 2.249 10 0 CEAEMP Cc1c([C@@H]2[C@@H](C[NH2+]C(C)C)CCCC[N@@H+]2C)cnn1C ZINC000093652606 184702601 /nfs/dbraw/zinc/70/26/01/184702601.db2.gz RHZWXAZCHFFKEF-ZBFHGGJFSA-N 2 1 278.444 2.500 10 0 CEAEMP Cc1c([C@@H]2[C@@H](C[NH2+]C(C)C)CCCC[N@H+]2C)cnn1C ZINC000093652606 184702602 /nfs/dbraw/zinc/70/26/02/184702602.db2.gz RHZWXAZCHFFKEF-ZBFHGGJFSA-N 2 1 278.444 2.500 10 0 CEAEMP c1c[nH+]c(N2CCCC2)c(NCC2CC[NH2+]CC2)c1 ZINC000094009740 184749533 /nfs/dbraw/zinc/74/95/33/184749533.db2.gz YPCCJYSTNWLJIF-UHFFFAOYSA-N 2 1 260.385 2.093 10 0 CEAEMP CCC([NH3+])(CC)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000094243792 184769013 /nfs/dbraw/zinc/76/90/13/184769013.db2.gz YMEUZQFFZKDUFW-UHFFFAOYSA-N 2 1 287.367 2.032 10 0 CEAEMP C[N@@H+](CC1CC([NH3+])C1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094413545 184794648 /nfs/dbraw/zinc/79/46/48/184794648.db2.gz IBNPMRZXCHWGLL-RUXDESIVSA-N 2 1 284.469 2.100 10 0 CEAEMP [NH3+]C1(CC[NH+]2CCN(c3ccccn3)CC2)CCCCC1 ZINC000084187996 135031993 /nfs/dbraw/zinc/03/19/93/135031993.db2.gz GDBNIUMSDIPQBX-UHFFFAOYSA-N 2 1 288.439 2.255 10 0 CEAEMP COCC[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1Cl ZINC000094272872 135086012 /nfs/dbraw/zinc/08/60/12/135086012.db2.gz YNCPLBAGUGLWFB-GFCCVEGCSA-N 2 1 283.803 2.330 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)nc1 ZINC000094443164 135088477 /nfs/dbraw/zinc/08/84/77/135088477.db2.gz JCFIJHVBAQZMKW-MRXNPFEDSA-N 2 1 288.439 2.254 10 0 CEAEMP COC[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247707401 394534685 /nfs/dbraw/zinc/53/46/85/394534685.db2.gz ZHBULTBXOIHZPV-KGLIPLIRSA-N 2 1 263.385 2.159 10 0 CEAEMP COC[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247707401 394534687 /nfs/dbraw/zinc/53/46/87/394534687.db2.gz ZHBULTBXOIHZPV-KGLIPLIRSA-N 2 1 263.385 2.159 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3Br)C[C@H]12 ZINC000261566414 394602677 /nfs/dbraw/zinc/60/26/77/394602677.db2.gz DMZLJCJLFLCEIT-WCABBAIRSA-N 2 1 282.185 2.018 10 0 CEAEMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)CC(F)(F)F ZINC000423011269 394880984 /nfs/dbraw/zinc/88/09/84/394880984.db2.gz ILWGXUDZHGUUDL-IJLUTSLNSA-N 2 1 282.350 2.200 10 0 CEAEMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396637476 395217824 /nfs/dbraw/zinc/21/78/24/395217824.db2.gz NZXBMLBZYOCYHY-KCQAQPDRSA-N 2 1 262.397 2.356 10 0 CEAEMP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178317410 165234574 /nfs/dbraw/zinc/23/45/74/165234574.db2.gz BTJREJMSSCJSHZ-CABCVRRESA-N 2 1 293.411 2.388 10 0 CEAEMP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178317410 165234575 /nfs/dbraw/zinc/23/45/75/165234575.db2.gz BTJREJMSSCJSHZ-CABCVRRESA-N 2 1 293.411 2.388 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000181655639 165351786 /nfs/dbraw/zinc/35/17/86/165351786.db2.gz DSZUWTVPDGRCLD-RBSFLKMASA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000181655639 165351788 /nfs/dbraw/zinc/35/17/88/165351788.db2.gz DSZUWTVPDGRCLD-RBSFLKMASA-N 2 1 254.418 2.121 10 0 CEAEMP CCCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043223 174050042 /nfs/dbraw/zinc/05/00/42/174050042.db2.gz BQAGNTVHVKUTRV-GDBMZVCRSA-N 2 1 295.471 2.288 10 0 CEAEMP CCCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043223 174050043 /nfs/dbraw/zinc/05/00/43/174050043.db2.gz BQAGNTVHVKUTRV-GDBMZVCRSA-N 2 1 295.471 2.288 10 0 CEAEMP CO[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623401 174355378 /nfs/dbraw/zinc/35/53/78/174355378.db2.gz YZTYBCUSGQSHFW-ZNMIVQPWSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[N@H+](Cc1cc(C)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748643 174394056 /nfs/dbraw/zinc/39/40/56/174394056.db2.gz LWCGSPGQYVSBBZ-PBWFPOADSA-N 2 1 263.385 2.478 10 0 CEAEMP CCC[N@@H+](Cc1cc(C)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748643 174394057 /nfs/dbraw/zinc/39/40/57/174394057.db2.gz LWCGSPGQYVSBBZ-PBWFPOADSA-N 2 1 263.385 2.478 10 0 CEAEMP COc1c(C)c[nH+]c(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040750383 174395241 /nfs/dbraw/zinc/39/52/41/174395241.db2.gz RXBBRTPKNHWARS-AGUYFDCRSA-N 2 1 275.396 2.161 10 0 CEAEMP COc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750269 174395267 /nfs/dbraw/zinc/39/52/67/174395267.db2.gz WEBYBGHYYBCBTG-AGUYFDCRSA-N 2 1 276.380 2.028 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](C2CC2)CC1 ZINC000043364837 175025396 /nfs/dbraw/zinc/02/53/96/175025396.db2.gz SWXYBOVIUHHSJP-GDBMZVCRSA-N 2 1 277.412 2.146 10 0 CEAEMP CCC[N@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885617 175117220 /nfs/dbraw/zinc/11/72/20/175117220.db2.gz MBQLUKCJWRQMGE-LSDHHAIUSA-N 2 1 282.428 2.135 10 0 CEAEMP CCC[N@@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885617 175117222 /nfs/dbraw/zinc/11/72/22/175117222.db2.gz MBQLUKCJWRQMGE-LSDHHAIUSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890153 175118189 /nfs/dbraw/zinc/11/81/89/175118189.db2.gz PWQSAJRWRPHXHY-YUELXQCFSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890163 175118294 /nfs/dbraw/zinc/11/82/94/175118294.db2.gz WIVGINFARQVGLG-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907423 175123104 /nfs/dbraw/zinc/12/31/04/175123104.db2.gz WLCPKPSGXISEPN-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCC(CC)CC1)OCCO2 ZINC000043913475 175124581 /nfs/dbraw/zinc/12/45/81/175124581.db2.gz HJVROMHOPHOJFJ-CVEARBPZSA-N 2 1 296.455 2.382 10 0 CEAEMP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)CCOC)c1 ZINC000043915639 175125303 /nfs/dbraw/zinc/12/53/03/175125303.db2.gz YOWFHWWYURSQNO-LBPRGKRZSA-N 2 1 266.385 2.054 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068478 175300162 /nfs/dbraw/zinc/30/01/62/175300162.db2.gz KOKAKPWKUJXCKL-UHFFFAOYSA-N 2 1 277.412 2.452 10 0 CEAEMP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+](C)CC(C)(C)C ZINC000045068619 175300546 /nfs/dbraw/zinc/30/05/46/175300546.db2.gz HKJFRMVZOQQOMN-GFCCVEGCSA-N 2 1 277.412 2.450 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280625 175350880 /nfs/dbraw/zinc/35/08/80/175350880.db2.gz MRBCUDIPOGAEIJ-XUJLQICISA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280625 175350881 /nfs/dbraw/zinc/35/08/81/175350881.db2.gz MRBCUDIPOGAEIJ-XUJLQICISA-N 2 1 283.460 2.129 10 0 CEAEMP CCCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045368229 175362898 /nfs/dbraw/zinc/36/28/98/175362898.db2.gz SBZAHTKTEMOLRD-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045368229 175362899 /nfs/dbraw/zinc/36/28/99/175362899.db2.gz SBZAHTKTEMOLRD-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045370768 175364112 /nfs/dbraw/zinc/36/41/12/175364112.db2.gz CAFOQOVHUKBATP-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[NH+](CC)CC)[NH2+]C(C)C ZINC000045375943 175366400 /nfs/dbraw/zinc/36/64/00/175366400.db2.gz YMHKVLYRVBMOLS-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379569 175368495 /nfs/dbraw/zinc/36/84/95/175368495.db2.gz MFESVSSGJXJWKR-YDHLFZDLSA-N 2 1 270.417 2.310 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)CCC)C(N)=O ZINC000045386941 175372662 /nfs/dbraw/zinc/37/26/62/175372662.db2.gz DJJWBEXFGPGBGD-HNNXBMFYSA-N 2 1 271.449 2.132 10 0 CEAEMP CCCCC[N@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045388137 175374134 /nfs/dbraw/zinc/37/41/34/175374134.db2.gz UGVMSMPLFODEMH-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045388137 175374135 /nfs/dbraw/zinc/37/41/35/175374135.db2.gz UGVMSMPLFODEMH-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045392119 175375896 /nfs/dbraw/zinc/37/58/96/175375896.db2.gz QGNUGIDVJANNTL-DZGCQCFKSA-N 2 1 272.433 2.284 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045392119 175375898 /nfs/dbraw/zinc/37/58/98/175375898.db2.gz QGNUGIDVJANNTL-DZGCQCFKSA-N 2 1 272.433 2.284 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CC2CCC2)O1 ZINC000061485860 175648251 /nfs/dbraw/zinc/64/82/51/175648251.db2.gz CMRFLTRMDSVAQY-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000071188079 176061225 /nfs/dbraw/zinc/06/12/25/176061225.db2.gz WIHSVILRDFNKRT-DOMZBBRYSA-N 2 1 281.831 2.223 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188086 176061242 /nfs/dbraw/zinc/06/12/42/176061242.db2.gz OHVYRORCZCWICR-XOKHGSTOSA-N 2 1 293.430 2.488 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)cc1N)C[C@H]1CC[NH+](C)C1 ZINC000071187840 176061545 /nfs/dbraw/zinc/06/15/45/176061545.db2.gz DDBJUBGFVWGDTI-NSHDSACASA-N 2 1 267.804 2.306 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)cc1N)C[C@H]1CC[NH+](C)C1 ZINC000071187840 176061546 /nfs/dbraw/zinc/06/15/46/176061546.db2.gz DDBJUBGFVWGDTI-NSHDSACASA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)cc1N)C[C@H]1CC[N@H+](C)C1 ZINC000071187840 176061547 /nfs/dbraw/zinc/06/15/47/176061547.db2.gz DDBJUBGFVWGDTI-NSHDSACASA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)cc1N)C[C@H]1CC[N@@H+](C)C1 ZINC000071187840 176061548 /nfs/dbraw/zinc/06/15/48/176061548.db2.gz DDBJUBGFVWGDTI-NSHDSACASA-N 2 1 267.804 2.306 10 0 CEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188214 176062472 /nfs/dbraw/zinc/06/24/72/176062472.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 2 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188214 176062473 /nfs/dbraw/zinc/06/24/73/176062473.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188214 176062475 /nfs/dbraw/zinc/06/24/75/176062475.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188214 176062476 /nfs/dbraw/zinc/06/24/76/176062476.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188214 176062478 /nfs/dbraw/zinc/06/24/78/176062478.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 3 1 267.461 2.024 10 0 CEAEMP C[C@H](c1ccccc1)[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188405 176062828 /nfs/dbraw/zinc/06/28/28/176062828.db2.gz QMWMPRLWQGNLAY-BFYDXBDKSA-N 2 1 275.440 2.001 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071188340 176063212 /nfs/dbraw/zinc/06/32/12/176063212.db2.gz PWCSKODXNGKDOX-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP CN(C[C@H]([NH3+])c1cc2ccccc2o1)C[C@@H]1CC[N@H+](C)C1 ZINC000071188779 176063943 /nfs/dbraw/zinc/06/39/43/176063943.db2.gz XUDGMMKZUKOORR-HIFRSBDPSA-N 2 1 287.407 2.316 10 0 CEAEMP CN(C[C@H]([NH3+])c1cc2ccccc2o1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188779 176063944 /nfs/dbraw/zinc/06/39/44/176063944.db2.gz XUDGMMKZUKOORR-HIFRSBDPSA-N 2 1 287.407 2.316 10 0 CEAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189184 176064376 /nfs/dbraw/zinc/06/43/76/176064376.db2.gz RYQYBDAULNYYKF-ZFWWWQNUSA-N 2 1 291.464 2.287 10 0 CEAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189184 176064377 /nfs/dbraw/zinc/06/43/77/176064377.db2.gz RYQYBDAULNYYKF-ZFWWWQNUSA-N 2 1 291.464 2.287 10 0 CEAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189184 176064378 /nfs/dbraw/zinc/06/43/78/176064378.db2.gz RYQYBDAULNYYKF-ZFWWWQNUSA-N 2 1 291.464 2.287 10 0 CEAEMP C[NH2+]Cc1c(Cl)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190003 176065614 /nfs/dbraw/zinc/06/56/14/176065614.db2.gz ZHNBSDQNDRWCFP-GFCCVEGCSA-N 2 1 281.831 2.447 10 0 CEAEMP CC(C)[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190577 176066863 /nfs/dbraw/zinc/06/68/63/176066863.db2.gz DRGJHKJCSCSYOW-KLHDSHLOSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190577 176066864 /nfs/dbraw/zinc/06/68/64/176066864.db2.gz DRGJHKJCSCSYOW-KLHDSHLOSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190577 176066865 /nfs/dbraw/zinc/06/68/65/176066865.db2.gz DRGJHKJCSCSYOW-KLHDSHLOSA-N 2 1 268.445 2.056 10 0 CEAEMP C[NH2+]C[C@](C)(CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191460 176069194 /nfs/dbraw/zinc/06/91/94/176069194.db2.gz XZDMPOQPDXJKGX-SJLPKXTDSA-N 2 1 289.467 2.047 10 0 CEAEMP CC(C)C[NH2+]Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000071191638 176069845 /nfs/dbraw/zinc/06/98/45/176069845.db2.gz GQWVWZWMWROVTN-OAHLLOKOSA-N 2 1 290.455 2.215 10 0 CEAEMP CC[NH2+]CC1(CN(C)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191435 176070008 /nfs/dbraw/zinc/07/00/08/176070008.db2.gz GQRFNYHQCBKOBZ-HNNXBMFYSA-N 2 1 267.461 2.040 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191394 176070237 /nfs/dbraw/zinc/07/02/37/176070237.db2.gz JBMZUBNTWXKQOX-BZUAXINKSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071191362 176070587 /nfs/dbraw/zinc/07/05/87/176070587.db2.gz ZRXMFHJMTMGNJE-CABCVRRESA-N 2 1 269.477 2.284 10 0 CEAEMP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC000071191259 176070770 /nfs/dbraw/zinc/07/07/70/176070770.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 2 1 293.430 2.360 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191959 176071017 /nfs/dbraw/zinc/07/10/17/176071017.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 2 1 279.428 2.161 10 0 CEAEMP CC(C)C[NH2+]Cc1ccnc(N(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191727 176071333 /nfs/dbraw/zinc/07/13/33/176071333.db2.gz GUVPYZMYAUSWCC-INIZCTEOSA-N 2 1 290.455 2.215 10 0 CEAEMP CC(C)C[NH2+]Cc1cccc(N(C)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000071191784 176071612 /nfs/dbraw/zinc/07/16/12/176071612.db2.gz GXCUYDRDGCKOGX-OAHLLOKOSA-N 2 1 290.455 2.215 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000071191723 176071824 /nfs/dbraw/zinc/07/18/24/176071824.db2.gz KXKUGVWRVMQNPF-HNNXBMFYSA-N 2 1 290.455 2.358 10 0 CEAEMP CC[NH2+][C@H]1CCCN(CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071198126 176076581 /nfs/dbraw/zinc/07/65/81/176076581.db2.gz MXMNJKFZEPOKGB-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP Cc1ncsc1C[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000071213159 176084911 /nfs/dbraw/zinc/08/49/11/176084911.db2.gz ZJEHZONJHCLLFF-LBPRGKRZSA-N 2 1 253.415 2.271 10 0 CEAEMP Cc1ncsc1C[N@@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000071213159 176084912 /nfs/dbraw/zinc/08/49/12/176084912.db2.gz ZJEHZONJHCLLFF-LBPRGKRZSA-N 2 1 253.415 2.271 10 0 CEAEMP C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1C[NH3+] ZINC000071250417 176094747 /nfs/dbraw/zinc/09/47/47/176094747.db2.gz AZLZHYLNDMLTIY-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP CC(C)c1[nH+]ccn1Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071268072 176101896 /nfs/dbraw/zinc/10/18/96/176101896.db2.gz CAMYGYHFGPBGCF-UHFFFAOYSA-N 2 1 260.316 2.478 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000071290003 176110319 /nfs/dbraw/zinc/11/03/19/176110319.db2.gz JRDGVANWWPLEPD-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CC[NH2+]CCCCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000071290003 176110321 /nfs/dbraw/zinc/11/03/21/176110321.db2.gz JRDGVANWWPLEPD-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000071293563 176111583 /nfs/dbraw/zinc/11/15/83/176111583.db2.gz LPSDOZZVHBQPKM-AWEZNQCLSA-N 2 1 270.417 2.041 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000071293931 176111867 /nfs/dbraw/zinc/11/18/67/176111867.db2.gz DDQQOMYWMWJASS-CQSZACIVSA-N 2 1 270.417 2.041 10 0 CEAEMP CC(C)[NH+]1CCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401719 176154021 /nfs/dbraw/zinc/15/40/21/176154021.db2.gz SPBPQOHEWJMHPV-KRWDZBQOSA-N 2 1 275.440 2.493 10 0 CEAEMP COCCC[N@@H+](CCC[C@H]([NH3+])c1ccccc1)CCOC ZINC000071401903 176154029 /nfs/dbraw/zinc/15/40/29/176154029.db2.gz POQQFQHOZNVJJT-KRWDZBQOSA-N 2 1 294.439 2.452 10 0 CEAEMP Cn1ccnc1C[N@H+](C)CCC[C@@H]([NH3+])c1ccccc1 ZINC000071402090 176154099 /nfs/dbraw/zinc/15/40/99/176154099.db2.gz BPYQFLXYMPVIQZ-OAHLLOKOSA-N 2 1 272.396 2.332 10 0 CEAEMP Cn1ccnc1C[N@@H+](C)CCC[C@@H]([NH3+])c1ccccc1 ZINC000071402090 176154101 /nfs/dbraw/zinc/15/41/01/176154101.db2.gz BPYQFLXYMPVIQZ-OAHLLOKOSA-N 2 1 272.396 2.332 10 0 CEAEMP C[NH+](C)Cc1nc2ccccc2n1CC[NH+]1CCCC1 ZINC000071502827 176192827 /nfs/dbraw/zinc/19/28/27/176192827.db2.gz DIAQNFKXELLNIU-UHFFFAOYSA-N 2 1 272.396 2.194 10 0 CEAEMP C[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000390609535 262226813 /nfs/dbraw/zinc/22/68/13/262226813.db2.gz ZDWWJVAYJFOJAR-DOTOQJQBSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000390609535 262226815 /nfs/dbraw/zinc/22/68/15/262226815.db2.gz ZDWWJVAYJFOJAR-DOTOQJQBSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](C[NH3+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390619009 262229012 /nfs/dbraw/zinc/22/90/12/262229012.db2.gz YZAXPUDZWAVTHJ-HZTRTUMWSA-N 2 1 273.424 2.119 10 0 CEAEMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224589393 270309374 /nfs/dbraw/zinc/30/93/74/270309374.db2.gz DZIVAAXZCUBPFK-MJBXVCDLSA-N 2 1 254.418 2.120 10 0 CEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000261557575 278242172 /nfs/dbraw/zinc/24/21/72/278242172.db2.gz XMCRTDJXMPLETH-RDJZCZTQSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261557575 278242174 /nfs/dbraw/zinc/24/21/74/278242174.db2.gz XMCRTDJXMPLETH-RDJZCZTQSA-N 2 1 275.440 2.239 10 0 CEAEMP CN(C)C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000156642625 289199795 /nfs/dbraw/zinc/19/97/95/289199795.db2.gz HCVDWBLYEKEJCW-OAHLLOKOSA-N 2 1 268.445 2.465 10 0 CEAEMP CN(C)C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000156642625 289199798 /nfs/dbraw/zinc/19/97/98/289199798.db2.gz HCVDWBLYEKEJCW-OAHLLOKOSA-N 2 1 268.445 2.465 10 0 CEAEMP C[C@H]1CCC[C@](C[NH2+]C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000094088117 299909717 /nfs/dbraw/zinc/90/97/17/299909717.db2.gz QFLDVRIBIRKTGT-LBDPXKHJSA-N 3 1 267.461 2.356 10 0 CEAEMP [NH3+]C1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1 ZINC000333160190 295212580 /nfs/dbraw/zinc/21/25/80/295212580.db2.gz NTJZXOIRUCCUOV-SJJHQCBESA-N 3 1 291.414 2.131 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637950 519739671 /nfs/dbraw/zinc/73/96/71/519739671.db2.gz GRHVNSFDHUWHFL-CZUORRHYSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637950 519739672 /nfs/dbraw/zinc/73/96/72/519739672.db2.gz GRHVNSFDHUWHFL-CZUORRHYSA-N 2 1 283.460 2.127 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H](C)COC ZINC000052511440 519959070 /nfs/dbraw/zinc/95/90/70/519959070.db2.gz PDALUTCOJKULGD-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC(C)C)C2CC2)O1 ZINC000052515891 519977673 /nfs/dbraw/zinc/97/76/73/519977673.db2.gz NABXDVQJHHTHOJ-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+]Cc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000052381044 520021429 /nfs/dbraw/zinc/02/14/29/520021429.db2.gz ZLPOTYFOUMQKKS-NSHDSACASA-N 2 1 253.415 2.485 10 0 CEAEMP CC[NH2+]Cc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000052381044 520021436 /nfs/dbraw/zinc/02/14/36/520021436.db2.gz ZLPOTYFOUMQKKS-NSHDSACASA-N 2 1 253.415 2.485 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C)cc2)C1 ZINC000052372285 520319610 /nfs/dbraw/zinc/31/96/10/520319610.db2.gz WCWACBDCUZLNCA-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP C[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648207 522519718 /nfs/dbraw/zinc/51/97/18/522519718.db2.gz PQVGRCANEKQHBI-JKIFEVAISA-N 2 1 297.487 2.377 10 0 CEAEMP C[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648207 522519730 /nfs/dbraw/zinc/51/97/30/522519730.db2.gz PQVGRCANEKQHBI-JKIFEVAISA-N 2 1 297.487 2.377 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCOC(C)(C)C2)O1 ZINC000052481896 518762298 /nfs/dbraw/zinc/76/22/98/518762298.db2.gz URBUUPSRHAZLFI-KGLIPLIRSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052377911 518764985 /nfs/dbraw/zinc/76/49/85/518764985.db2.gz CNKBJBUCAHWOHA-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654652 519720582 /nfs/dbraw/zinc/72/05/82/519720582.db2.gz SQWZJXTUBVBHPN-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccoc2)O1 ZINC000052545681 519725257 /nfs/dbraw/zinc/72/52/57/519725257.db2.gz BGTOKZUTVRYKMU-CABCVRRESA-N 2 1 266.385 2.257 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[NH+]2CCSCC2)o1 ZINC000052425548 519726610 /nfs/dbraw/zinc/72/66/10/519726610.db2.gz AGDWWSARGIFYKG-UHFFFAOYSA-N 2 1 254.399 2.326 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000052382661 519726926 /nfs/dbraw/zinc/72/69/26/519726926.db2.gz CMILCUPKLDWBAJ-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1 ZINC000052382661 519726928 /nfs/dbraw/zinc/72/69/28/519726928.db2.gz CMILCUPKLDWBAJ-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648675 519737013 /nfs/dbraw/zinc/73/70/13/519737013.db2.gz JNWOPJWWLMBUKX-WFASDCNBSA-N 2 1 280.416 2.200 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000068690257 519746115 /nfs/dbraw/zinc/74/61/15/519746115.db2.gz QRLUCSHCUULTSZ-CQSZACIVSA-N 2 1 291.443 2.005 10 0 CEAEMP CCCC1CC[NH+](CCC[C@@](C)([NH3+])C(=O)OC)CC1 ZINC000050905759 519900917 /nfs/dbraw/zinc/90/09/17/519900917.db2.gz FXKCAANBPNTPAL-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP CCCC1CC[NH+]([C@@H]2CC3(CC[C@@H]2[NH2+]C)OCCO3)CC1 ZINC000050893617 519903351 /nfs/dbraw/zinc/90/33/51/519903351.db2.gz ZCXFPDJXQXDEKM-JKSUJKDBSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+]CCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573025 519912442 /nfs/dbraw/zinc/91/24/42/519912442.db2.gz YORLDGWLJJCSEC-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456347 519952920 /nfs/dbraw/zinc/95/29/20/519952920.db2.gz BVKVGVLMPYIJGR-QWHCGFSZSA-N 2 1 268.426 2.337 10 0 CEAEMP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418927 519969391 /nfs/dbraw/zinc/96/93/91/519969391.db2.gz ONCOEBCHCRZCAZ-INIZCTEOSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[NH2+]C[C@H](CC)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416940 519971827 /nfs/dbraw/zinc/97/18/27/519971827.db2.gz SJTDUCPXZDOSSI-DLBZAZTESA-N 2 1 275.440 2.363 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H]2CN(C)C)c1 ZINC000061654445 520004440 /nfs/dbraw/zinc/00/44/40/520004440.db2.gz GJUSASRDXZQDQM-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654445 520004444 /nfs/dbraw/zinc/00/44/44/520004444.db2.gz GJUSASRDXZQDQM-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000052371286 520004553 /nfs/dbraw/zinc/00/45/53/520004553.db2.gz IRSLPERSNVXMPH-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CCC[NH2+][C@@H](C[N@H+](CCOC)CC(C)C)C1CC1 ZINC000069074364 520008588 /nfs/dbraw/zinc/00/85/88/520008588.db2.gz CGDRSROCZAWCGK-HNNXBMFYSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+][C@@H](C[N@@H+](CCOC)CC(C)C)C1CC1 ZINC000069074364 520008594 /nfs/dbraw/zinc/00/85/94/520008594.db2.gz CGDRSROCZAWCGK-HNNXBMFYSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648664 520046398 /nfs/dbraw/zinc/04/63/98/520046398.db2.gz LDHUWHZETFYFNS-WFASDCNBSA-N 2 1 280.416 2.201 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](CCC)CC1CC1)C(N)=O ZINC000068632048 520113622 /nfs/dbraw/zinc/11/36/22/520113622.db2.gz MCDVQEYQKPSSLU-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](CCC)CC1CC1)C(N)=O ZINC000068632048 520113628 /nfs/dbraw/zinc/11/36/28/520113628.db2.gz MCDVQEYQKPSSLU-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](CC)CCOC ZINC000053875776 520122728 /nfs/dbraw/zinc/12/27/28/520122728.db2.gz NYWYIRNQQYNPBQ-RBSFLKMASA-N 2 1 256.434 2.369 10 0 CEAEMP CCCOc1ccc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)cc1 ZINC000052919930 520427368 /nfs/dbraw/zinc/42/73/68/520427368.db2.gz CDGFPXSQRAUPSI-KRWDZBQOSA-N 2 1 291.439 2.113 10 0 CEAEMP CCCC[N@H+](CC[C@@H]([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000062527583 520538452 /nfs/dbraw/zinc/53/84/52/520538452.db2.gz ZVSPDXPYSLITOC-UONOGXRCSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[N@@H+](CC[C@@H]([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000062527583 520538460 /nfs/dbraw/zinc/53/84/60/520538460.db2.gz ZVSPDXPYSLITOC-UONOGXRCSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069237263 520966298 /nfs/dbraw/zinc/96/62/98/520966298.db2.gz GHJUCKCZJSINPD-GFCCVEGCSA-N 2 1 275.396 2.204 10 0 CEAEMP CC[N@@H+](CCOC)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052542744 521136117 /nfs/dbraw/zinc/13/61/17/521136117.db2.gz QCISLONSJOJZGP-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP CCC[C@H]1C[NH2+][C@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068695579 521224231 /nfs/dbraw/zinc/22/42/31/521224231.db2.gz DWXRWQQJECNDJJ-HOTGVXAUSA-N 2 1 278.444 2.290 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)[C@@H](C)COC ZINC000052504851 521290825 /nfs/dbraw/zinc/29/08/25/521290825.db2.gz WQFDDCYSBXHTBQ-LBPRGKRZSA-N 2 1 283.416 2.420 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401706 521299240 /nfs/dbraw/zinc/29/92/40/521299240.db2.gz HNHSDAUXKXXDEH-ZDUSSCGKSA-N 2 1 294.370 2.060 10 0 CEAEMP CCC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000069429398 521304412 /nfs/dbraw/zinc/30/44/12/521304412.db2.gz HPOFEYQOGZFDPB-CQSZACIVSA-N 2 1 250.386 2.299 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)CCc1ccncc1 ZINC000052483160 522133287 /nfs/dbraw/zinc/13/32/87/522133287.db2.gz OFSJJORACCKFGL-UHFFFAOYSA-N 2 1 269.392 2.476 10 0 CEAEMP C[NH2+]Cc1occc1C[N@@H+](CCOC)[C@H](C)C1CC1 ZINC000052545358 522165058 /nfs/dbraw/zinc/16/50/58/522165058.db2.gz AFXIOWTXPAGODW-GFCCVEGCSA-N 2 1 266.385 2.246 10 0 CEAEMP C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CC[NH+](C)CC3)sc21 ZINC000054900286 522374488 /nfs/dbraw/zinc/37/44/88/522374488.db2.gz YNZHXINDUAFXPE-LLVKDONJSA-N 2 1 294.468 2.128 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182990 523054328 /nfs/dbraw/zinc/05/43/28/523054328.db2.gz MGCOKQLORMARKT-HNNXBMFYSA-N 2 1 298.471 2.282 10 0 CEAEMP COCCC[N@H+](CCOC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023308 523258941 /nfs/dbraw/zinc/25/89/41/523258941.db2.gz CVAMIUVGGHIAMR-HNNXBMFYSA-N 2 1 293.411 2.039 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023308 523258947 /nfs/dbraw/zinc/25/89/47/523258947.db2.gz CVAMIUVGGHIAMR-HNNXBMFYSA-N 2 1 293.411 2.039 10 0 CEAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052479530 523416774 /nfs/dbraw/zinc/41/67/74/523416774.db2.gz QFFBDMLCVYFDKU-JKSUJKDBSA-N 2 1 291.439 2.449 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570959 523507408 /nfs/dbraw/zinc/50/74/08/523507408.db2.gz WEAPWMZFXXWEQD-GXFFZTMASA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570959 523507413 /nfs/dbraw/zinc/50/74/13/523507413.db2.gz WEAPWMZFXXWEQD-GXFFZTMASA-N 2 1 252.358 2.046 10 0 CEAEMP COCC[N@@H+](C)Cc1ccoc1C[NH2+]CC(C)C ZINC000052572962 523624555 /nfs/dbraw/zinc/62/45/55/523624555.db2.gz MAEJWNWRRXHQMK-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860381 523821930 /nfs/dbraw/zinc/82/19/30/523821930.db2.gz WHPPSDJKYLQBGZ-LLVKDONJSA-N 2 1 281.787 2.487 10 0 CEAEMP COCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)cc1C ZINC000062738615 523951804 /nfs/dbraw/zinc/95/18/04/523951804.db2.gz ADNVLIKSZCAUNH-UHFFFAOYSA-N 2 1 259.353 2.225 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543563 524459500 /nfs/dbraw/zinc/45/95/00/524459500.db2.gz GLUNWXYDRKVCLP-QWHCGFSZSA-N 2 1 254.418 2.406 10 0 CEAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000049553784 524475086 /nfs/dbraw/zinc/47/50/86/524475086.db2.gz XHSOWWCUJISECV-JTQLQIEISA-N 2 1 284.787 2.499 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181994 527163521 /nfs/dbraw/zinc/16/35/21/527163521.db2.gz SUPRGKGBTDMYJF-LSDHHAIUSA-N 2 1 266.429 2.254 10 0 CEAEMP [NH3+]CC[C@@H](c1ccccc1)[N@@H+](CCO)C1CCCC1 ZINC000055017142 527190180 /nfs/dbraw/zinc/19/01/80/527190180.db2.gz ZOZYLIRFJRTZGL-INIZCTEOSA-N 2 1 262.397 2.313 10 0 CEAEMP [NH3+]C[C@H]1CCCCC[C@H]1[N@@H+](CCO)Cc1ccccc1 ZINC000050514171 527230474 /nfs/dbraw/zinc/23/04/74/527230474.db2.gz KNDDSWOBPQUEHE-IAGOWNOFSA-N 2 1 276.424 2.389 10 0 CEAEMP Cc1[nH+]ccn1CCOc1ccc(Cl)cc1C[NH3+] ZINC000049329377 527433914 /nfs/dbraw/zinc/43/39/14/527433914.db2.gz IKZWPRLPXCHUPY-UHFFFAOYSA-N 2 1 265.744 2.383 10 0 CEAEMP Cc1[nH+]cn(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)c1C ZINC000052593711 527461432 /nfs/dbraw/zinc/46/14/32/527461432.db2.gz ABWAYMIONNMXBR-KBPBESRZSA-N 2 1 251.374 2.046 10 0 CEAEMP O[C@@]12CCCC[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161612594 527682405 /nfs/dbraw/zinc/68/24/05/527682405.db2.gz DIGTZKNKIZILCP-IAGOWNOFSA-N 2 1 280.456 2.489 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000261606185 623394594 /nfs/dbraw/zinc/39/45/94/623394594.db2.gz RMCHZKLPJIECOG-KCPJHIHWSA-N 2 1 280.799 2.388 10 0 CEAEMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261905721 629310417 /nfs/dbraw/zinc/31/04/17/629310417.db2.gz IEJJHBAHDUNSQD-IMJJTQAJSA-N 2 1 278.371 2.072 10 0 CEAEMP CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C)[nH+]1 ZINC000088760580 640010186 /nfs/dbraw/zinc/01/01/86/640010186.db2.gz XKKFUJHCJIEYRC-PBWFPOADSA-N 2 1 260.385 2.067 10 0 CEAEMP CCOC(C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)OCC ZINC000124565066 187143920 /nfs/dbraw/zinc/14/39/20/187143920.db2.gz BNUNQGWVUNUSOY-AWEZNQCLSA-N 2 1 281.400 2.055 10 0 CEAEMP CCOC(C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)OCC ZINC000124565066 187143921 /nfs/dbraw/zinc/14/39/21/187143921.db2.gz BNUNQGWVUNUSOY-AWEZNQCLSA-N 2 1 281.400 2.055 10 0 CEAEMP COc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729013 178245976 /nfs/dbraw/zinc/24/59/76/178245976.db2.gz SLLCPWRBUJZBEK-NVXWUHKLSA-N 2 1 274.408 2.312 10 0 CEAEMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000125424705 187183936 /nfs/dbraw/zinc/18/39/36/187183936.db2.gz IGBIWSZPXMZZRB-CHWSQXEVSA-N 2 1 251.374 2.081 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000311659152 344735365 /nfs/dbraw/zinc/73/53/65/344735365.db2.gz NOPHYFBESMBDDB-PSOPSSQASA-N 2 1 264.344 2.003 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000311659152 344735366 /nfs/dbraw/zinc/73/53/66/344735366.db2.gz NOPHYFBESMBDDB-PSOPSSQASA-N 2 1 264.344 2.003 10 0 CEAEMP [NH3+]CC[C@H]([NH3+])c1c(Cl)cnc(Cl)c1Cl ZINC000306565059 344714600 /nfs/dbraw/zinc/71/46/00/344714600.db2.gz FGUMMPGURGQTJP-YFKPBYRVSA-N 2 1 254.548 2.390 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052511505 522594732 /nfs/dbraw/zinc/59/47/32/522594732.db2.gz LSLADJJSEWSHSW-LBPRGKRZSA-N 2 1 254.374 2.244 10 0 CEAEMP CC(C)C[N@H+](C[C@](O)(C[NH3+])c1ccccc1)C(C)C ZINC000085301517 179010633 /nfs/dbraw/zinc/01/06/33/179010633.db2.gz WXYAVPRRMMUPJL-MRXNPFEDSA-N 2 1 264.413 2.199 10 0 CEAEMP CC(C)C[N@@H+](C[C@](O)(C[NH3+])c1ccccc1)C(C)C ZINC000085301517 179010634 /nfs/dbraw/zinc/01/06/34/179010634.db2.gz WXYAVPRRMMUPJL-MRXNPFEDSA-N 2 1 264.413 2.199 10 0 CEAEMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1(C)C ZINC000085400650 179051743 /nfs/dbraw/zinc/05/17/43/179051743.db2.gz JONBWYBHFHGVQB-RRFJBIMHSA-N 2 1 268.445 2.367 10 0 CEAEMP CC(C)NC(=O)CC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403559 179053070 /nfs/dbraw/zinc/05/30/70/179053070.db2.gz PHIUYMMMCPLZOJ-INIZCTEOSA-N 2 1 295.471 2.145 10 0 CEAEMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000085455512 179068189 /nfs/dbraw/zinc/06/81/89/179068189.db2.gz SIAIFAVOQSWRGL-CQSZACIVSA-N 2 1 264.417 2.044 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C ZINC000085504548 179084055 /nfs/dbraw/zinc/08/40/55/179084055.db2.gz LWVUIKVDXCUNKJ-WMLDXEAASA-N 2 1 284.407 2.227 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1Cc1cccnc1 ZINC000085623947 179106511 /nfs/dbraw/zinc/10/65/11/179106511.db2.gz IFZUEWFNKWXDSI-XJKSGUPXSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1Cc1cccnc1 ZINC000085623947 179106513 /nfs/dbraw/zinc/10/65/13/179106513.db2.gz IFZUEWFNKWXDSI-XJKSGUPXSA-N 2 1 259.397 2.434 10 0 CEAEMP c1csc(CC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000085616060 179104224 /nfs/dbraw/zinc/10/42/24/179104224.db2.gz HZSWGOTVNUTHDO-CQSZACIVSA-N 2 1 250.411 2.365 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623667 179106093 /nfs/dbraw/zinc/10/60/93/179106093.db2.gz YCYSHJBBKDOSIJ-SNPRPXQTSA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCNC3(CCCCC3)C2)CC1 ZINC000086145701 179238582 /nfs/dbraw/zinc/23/85/82/179238582.db2.gz RGBKMPLYTLMOJE-UHFFFAOYSA-N 2 1 279.472 2.326 10 0 CEAEMP CC[NH+]1CCC(CN2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086145701 179238586 /nfs/dbraw/zinc/23/85/86/179238586.db2.gz RGBKMPLYTLMOJE-UHFFFAOYSA-N 2 1 279.472 2.326 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2CCN[C@@H](CC(C)C)C2)CC1 ZINC000086145732 179238751 /nfs/dbraw/zinc/23/87/51/179238751.db2.gz FRROJDXNMQDCDJ-INIZCTEOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCN[C@@H](CC(C)C)C2)CC1 ZINC000086145732 179238753 /nfs/dbraw/zinc/23/87/53/179238753.db2.gz FRROJDXNMQDCDJ-INIZCTEOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223042 179250676 /nfs/dbraw/zinc/25/06/76/179250676.db2.gz QULBKMIHSUVPOB-HZPDHXFCSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223981 179253097 /nfs/dbraw/zinc/25/30/97/179253097.db2.gz JRVHKGATEFNTHO-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259342 179257658 /nfs/dbraw/zinc/25/76/58/179257658.db2.gz RZVUWVANHKMODE-HRCADAONSA-N 2 1 267.461 2.323 10 0 CEAEMP C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259614 179258291 /nfs/dbraw/zinc/25/82/91/179258291.db2.gz CBZOVDIZHNXXNF-GOEBONIOSA-N 2 1 277.456 2.220 10 0 CEAEMP CCC[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259285 179258625 /nfs/dbraw/zinc/25/86/25/179258625.db2.gz ZJWHCWLBDFMSDY-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP COC[C@H](C)[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086269641 179261729 /nfs/dbraw/zinc/26/17/29/179261729.db2.gz MWXSBNLVXHMONW-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@@H](C)[C@H]1CN([C@@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086289413 179264048 /nfs/dbraw/zinc/26/40/48/179264048.db2.gz JZKGDSOYSJTQFV-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCOCCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086286246 179264101 /nfs/dbraw/zinc/26/41/01/179264101.db2.gz UJKFJTKMQRMBGA-KRWDZBQOSA-N 2 1 276.424 2.320 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288684 179264198 /nfs/dbraw/zinc/26/41/98/179264198.db2.gz WCTPDFWKYCZTGK-AEFFLSMTSA-N 2 1 287.451 2.365 10 0 CEAEMP CC1(C)C[N@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287237 179264244 /nfs/dbraw/zinc/26/42/44/179264244.db2.gz ASLBDXNWIKYCIU-UHFFFAOYSA-N 2 1 250.361 2.442 10 0 CEAEMP CC1(C)C[N@@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287237 179264246 /nfs/dbraw/zinc/26/42/46/179264246.db2.gz ASLBDXNWIKYCIU-UHFFFAOYSA-N 2 1 250.361 2.442 10 0 CEAEMP C[C@H]1CN[C@@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258978 179257275 /nfs/dbraw/zinc/25/72/75/179257275.db2.gz JQOWBEIKTRDVAT-MAUKXSAKSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293267 179266259 /nfs/dbraw/zinc/26/62/59/179266259.db2.gz IXAVOSWYHIJNAA-LSDHHAIUSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293267 179266261 /nfs/dbraw/zinc/26/62/61/179266261.db2.gz IXAVOSWYHIJNAA-LSDHHAIUSA-N 2 1 255.450 2.038 10 0 CEAEMP C[C@@]1(C2CC2)C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295877 179267960 /nfs/dbraw/zinc/26/79/60/179267960.db2.gz IBGORZMOGQXKQY-KRWDZBQOSA-N 2 1 288.391 2.379 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295877 179267962 /nfs/dbraw/zinc/26/79/62/179267962.db2.gz IBGORZMOGQXKQY-KRWDZBQOSA-N 2 1 288.391 2.379 10 0 CEAEMP Cc1cccnc1C[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086297392 179268312 /nfs/dbraw/zinc/26/83/12/179268312.db2.gz XFQDRPGIVIQOHR-MRXNPFEDSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1cccnc1C[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086297392 179268313 /nfs/dbraw/zinc/26/83/13/179268313.db2.gz XFQDRPGIVIQOHR-MRXNPFEDSA-N 2 1 259.397 2.354 10 0 CEAEMP CCN(Cc1ccccc1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819262 179348722 /nfs/dbraw/zinc/34/87/22/179348722.db2.gz KBCHXSFDMDKMCX-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818579 179346394 /nfs/dbraw/zinc/34/63/94/179346394.db2.gz RPMMBQBEYBWYOU-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818579 179346395 /nfs/dbraw/zinc/34/63/95/179346395.db2.gz RPMMBQBEYBWYOU-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818579 179346398 /nfs/dbraw/zinc/34/63/98/179346398.db2.gz RPMMBQBEYBWYOU-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP C[N@H+]1CCC[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818786 179346986 /nfs/dbraw/zinc/34/69/86/179346986.db2.gz ZTJKYNLKZGXFJB-AWEZNQCLSA-N 2 1 267.461 2.323 10 0 CEAEMP C[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818786 179346988 /nfs/dbraw/zinc/34/69/88/179346988.db2.gz ZTJKYNLKZGXFJB-AWEZNQCLSA-N 3 1 267.461 2.323 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818786 179346990 /nfs/dbraw/zinc/34/69/90/179346990.db2.gz ZTJKYNLKZGXFJB-AWEZNQCLSA-N 3 1 267.461 2.323 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H]2C[C@@H]2C)CC1 ZINC000086848829 179356084 /nfs/dbraw/zinc/35/60/84/179356084.db2.gz ILVJNDJJRUVZGZ-JYJNAYRXSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CCOC)CC(C)C)CC1 ZINC000086848017 179356551 /nfs/dbraw/zinc/35/65/51/179356551.db2.gz VBMSAQJZIKKCBZ-QGZVFWFLSA-N 2 1 299.503 2.184 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccc(F)cc2)CC1 ZINC000086847495 179356899 /nfs/dbraw/zinc/35/68/99/179356899.db2.gz GILHYDXWNULOHQ-KRWDZBQOSA-N 2 1 293.430 2.461 10 0 CEAEMP CCN(CC(C)C)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846858 179357214 /nfs/dbraw/zinc/35/72/14/179357214.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@H+](CC(C)C)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846858 179357216 /nfs/dbraw/zinc/35/72/16/179357216.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@@H+](CC(C)C)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846858 179357219 /nfs/dbraw/zinc/35/72/19/179357219.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[NH+](CC(C)C)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846858 179357221 /nfs/dbraw/zinc/35/72/21/179357221.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[NH+](CC(C)C)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846858 179357223 /nfs/dbraw/zinc/35/72/23/179357223.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839289 179351490 /nfs/dbraw/zinc/35/14/90/179351490.db2.gz RPAHUFVTSYKXKH-UKRRQHHQSA-N 2 1 276.428 2.262 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357681 /nfs/dbraw/zinc/35/76/81/179357681.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+]2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357683 /nfs/dbraw/zinc/35/76/83/179357683.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+]2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357684 /nfs/dbraw/zinc/35/76/84/179357684.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357687 /nfs/dbraw/zinc/35/76/87/179357687.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357690 /nfs/dbraw/zinc/35/76/90/179357690.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840825 179352821 /nfs/dbraw/zinc/35/28/21/179352821.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840825 179352823 /nfs/dbraw/zinc/35/28/23/179352823.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840825 179352824 /nfs/dbraw/zinc/35/28/24/179352824.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840825 179352827 /nfs/dbraw/zinc/35/28/27/179352827.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 3 1 279.472 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840825 179352829 /nfs/dbraw/zinc/35/28/29/179352829.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 3 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840825 179352832 /nfs/dbraw/zinc/35/28/32/179352832.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 3 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840825 179352834 /nfs/dbraw/zinc/35/28/34/179352834.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 3 1 279.472 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844088 179354563 /nfs/dbraw/zinc/35/45/63/179354563.db2.gz VPEHOOVFWMEGMS-SLTAFYQDSA-N 3 1 253.434 2.109 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NCC[NH+](C)C2CCCC2)CC1 ZINC000086844949 179354660 /nfs/dbraw/zinc/35/46/60/179354660.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@@H](NCC[N@H+](C)C2CCCC2)CC1 ZINC000086844949 179354661 /nfs/dbraw/zinc/35/46/61/179354661.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@@H](NCC[N@@H+](C)C2CCCC2)CC1 ZINC000086844949 179354662 /nfs/dbraw/zinc/35/46/62/179354662.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867909 179360177 /nfs/dbraw/zinc/36/01/77/179360177.db2.gz LVHYOYJLFWMVHO-QGZVFWFLSA-N 2 1 276.424 2.402 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867909 179360179 /nfs/dbraw/zinc/36/01/79/179360179.db2.gz LVHYOYJLFWMVHO-QGZVFWFLSA-N 2 1 276.424 2.402 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851075 179359159 /nfs/dbraw/zinc/35/91/59/179359159.db2.gz JKAVJNHGKGSZKX-ZBFHGGJFSA-N 3 1 267.461 2.310 10 0 CEAEMP COCC[N@@H+](C1CC1)[C@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891071 179366128 /nfs/dbraw/zinc/36/61/28/179366128.db2.gz JSEJGLDQLUYMCY-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP COCC[N@@H+](C)[C@]1(C[NH3+])CCC[C@@H](C(C)C)CC1 ZINC000086948467 179368885 /nfs/dbraw/zinc/36/88/85/179368885.db2.gz SZRQJYUIYNYQNP-HUUCEWRRSA-N 2 1 256.434 2.498 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCCCCC2)CC1 ZINC000087089127 179393437 /nfs/dbraw/zinc/39/34/37/179393437.db2.gz IQAPJIAUHDPRCS-CQSZACIVSA-N 2 1 254.418 2.146 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](CCc2cscn2)C1 ZINC000104441276 186002988 /nfs/dbraw/zinc/00/29/88/186002988.db2.gz YMILBFXBPRRJAQ-LBPRGKRZSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000104441276 186002990 /nfs/dbraw/zinc/00/29/90/186002990.db2.gz YMILBFXBPRRJAQ-LBPRGKRZSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000090874017 180050276 /nfs/dbraw/zinc/05/02/76/180050276.db2.gz UJITYALUOVVUGU-HNNXBMFYSA-N 2 1 262.397 2.297 10 0 CEAEMP C[C@@H]1CCC[N@@H+](Cc2csc(CC[NH3+])n2)CC1 ZINC000090958666 180074870 /nfs/dbraw/zinc/07/48/70/180074870.db2.gz UXQABWCLJWKIGJ-LLVKDONJSA-N 2 1 253.415 2.266 10 0 CEAEMP CC(C)[C@@H](CC[NH3+])CCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091392176 180144755 /nfs/dbraw/zinc/14/47/55/180144755.db2.gz FBYQHNBWZUKDQN-CVEARBPZSA-N 2 1 269.477 2.414 10 0 CEAEMP CC(C)[C@@H](CC[NH3+])CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091392176 180144757 /nfs/dbraw/zinc/14/47/57/180144757.db2.gz FBYQHNBWZUKDQN-CVEARBPZSA-N 2 1 269.477 2.414 10 0 CEAEMP CCC[NH2+][C@H](Cc1cnn(C)c1)[C@@](C)(CC)[NH+](C)C ZINC000091571829 180196440 /nfs/dbraw/zinc/19/64/40/180196440.db2.gz RYQNXLZBRPELCL-HUUCEWRRSA-N 2 1 266.433 2.061 10 0 CEAEMP CCn1cc(C[C@@H]([NH2+]C)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091606297 180203994 /nfs/dbraw/zinc/20/39/94/180203994.db2.gz SDPIECRUWTZOEZ-CVEARBPZSA-N 2 1 278.444 2.298 10 0 CEAEMP CCn1nc(C)cc1C[C@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 ZINC000091605395 180204182 /nfs/dbraw/zinc/20/41/82/180204182.db2.gz RNSOQMMFZHNOAW-HOTGVXAUSA-N 2 1 278.444 2.346 10 0 CEAEMP CC[C@](C)([C@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606348 180204338 /nfs/dbraw/zinc/20/43/38/180204338.db2.gz FJLBMOWLXNOODC-GOEBONIOSA-N 2 1 276.428 2.059 10 0 CEAEMP CCC(CC)([C@@H]([NH3+])Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091634893 180210796 /nfs/dbraw/zinc/21/07/96/180210796.db2.gz WNEFSFBYTCCTJB-HNNXBMFYSA-N 2 1 278.444 2.253 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649097 180216214 /nfs/dbraw/zinc/21/62/14/180216214.db2.gz QGOAKGSAPHNFHU-BLDCVEFLSA-N 2 1 290.455 2.305 10 0 CEAEMP [NH3+][C@H](CCCc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720838 180236177 /nfs/dbraw/zinc/23/61/77/180236177.db2.gz XYZKPXCXPIHWAP-ZACQAIPSSA-N 2 1 274.408 2.200 10 0 CEAEMP Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C(C)C ZINC000091723144 180241973 /nfs/dbraw/zinc/24/19/73/180241973.db2.gz CIOIMWAFKJCMCX-OLZOCXBDSA-N 2 1 295.452 2.485 10 0 CEAEMP C[NH2+][C@@H](c1ccn(CCn2cc[nH+]c2C)c1)C1CC1 ZINC000091837430 180268054 /nfs/dbraw/zinc/26/80/54/180268054.db2.gz YGXVCLXYTCCAHQ-OAHLLOKOSA-N 2 1 258.369 2.364 10 0 CEAEMP CC(C)[C@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091844006 180268742 /nfs/dbraw/zinc/26/87/42/180268742.db2.gz LAYPZJAHGSFMDH-PFSRBDOWSA-N 2 1 254.418 2.392 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCC[NH+](CC)CC1 ZINC000091849981 180271941 /nfs/dbraw/zinc/27/19/41/180271941.db2.gz OYXKDHFWOKOTIM-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@H+](CC)CC1 ZINC000091849981 180271943 /nfs/dbraw/zinc/27/19/43/180271943.db2.gz OYXKDHFWOKOTIM-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000091849981 180271946 /nfs/dbraw/zinc/27/19/46/180271946.db2.gz OYXKDHFWOKOTIM-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CCN1CCC[C@H]([N@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849981 180271947 /nfs/dbraw/zinc/27/19/47/180271947.db2.gz OYXKDHFWOKOTIM-PCKAHOCUSA-N 2 1 267.461 2.453 10 0 CEAEMP CCN1CCC[C@H]([N@@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849981 180271950 /nfs/dbraw/zinc/27/19/50/180271950.db2.gz OYXKDHFWOKOTIM-PCKAHOCUSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091850897 180272135 /nfs/dbraw/zinc/27/21/35/180272135.db2.gz LACIUJMCMWWABU-HESLUPGFSA-N 2 1 283.460 2.272 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CC2CCOCC2)CC1 ZINC000091870319 180277023 /nfs/dbraw/zinc/27/70/23/180277023.db2.gz NZDLEXGCJGRYIC-UHFFFAOYSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000091870975 180277193 /nfs/dbraw/zinc/27/71/93/180277193.db2.gz CTVGRVIMDIKRDE-UHFFFAOYSA-N 2 1 290.407 2.436 10 0 CEAEMP CC[C@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000092051166 180312703 /nfs/dbraw/zinc/31/27/03/180312703.db2.gz YVJHKSJFJCBEIL-IRXDYDNUSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[C@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092051166 180312704 /nfs/dbraw/zinc/31/27/04/180312704.db2.gz YVJHKSJFJCBEIL-IRXDYDNUSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[N@H+]1CCO[C@H](Cn2cc(C[NH2+]C)c3ccccc32)C1 ZINC000092060171 180315054 /nfs/dbraw/zinc/31/50/54/180315054.db2.gz NMFOVMPIGFJWJN-HNNXBMFYSA-N 2 1 287.407 2.081 10 0 CEAEMP CC[N@@H+](CCC(N)=[NH2+])C[C@@H]1Cc2ccccc2S1 ZINC000092262288 180354535 /nfs/dbraw/zinc/35/45/35/180354535.db2.gz XBQWVWZAZISRTQ-LBPRGKRZSA-N 2 1 263.410 2.351 10 0 CEAEMP C[C@@H]1C[N@H+](CCSc2ccccc2)CCC[NH2+]1 ZINC000092273074 180356662 /nfs/dbraw/zinc/35/66/62/180356662.db2.gz ZSOWWENJNSCENT-CYBMUJFWSA-N 2 1 250.411 2.463 10 0 CEAEMP C[C@@H]1C[N@@H+](CCSc2ccccc2)CCC[NH2+]1 ZINC000092273074 180356663 /nfs/dbraw/zinc/35/66/63/180356663.db2.gz ZSOWWENJNSCENT-CYBMUJFWSA-N 2 1 250.411 2.463 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1COc2ccccc21 ZINC000092304415 180359516 /nfs/dbraw/zinc/35/95/16/180359516.db2.gz GCHCDPZVAVKUSS-RLAWYHOSSA-N 2 1 258.365 2.117 10 0 CEAEMP COc1ccc2c(c1)[C@@H]([NH3+])[C@H](n1cc[nH+]c1C)CC2 ZINC000092386060 180373536 /nfs/dbraw/zinc/37/35/36/180373536.db2.gz HNCKXJPVBWPNSY-HUUCEWRRSA-N 2 1 257.337 2.387 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1C[NH3+] ZINC000092623864 180417332 /nfs/dbraw/zinc/41/73/32/180417332.db2.gz WQVSKVAQMLQFDG-INIZCTEOSA-N 2 1 279.403 2.201 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000109604172 186268100 /nfs/dbraw/zinc/26/81/00/186268100.db2.gz XLHQZHYGXRHRDL-OAHLLOKOSA-N 2 1 294.370 2.202 10 0 CEAEMP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704959 186313659 /nfs/dbraw/zinc/31/36/59/186313659.db2.gz GDNGTGDCOLBCII-QWHCGFSZSA-N 2 1 281.469 2.471 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccccc2F)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110704133 186313874 /nfs/dbraw/zinc/31/38/74/186313874.db2.gz QYXHKECPJAFXRJ-XJKCOSOUSA-N 2 1 279.403 2.240 10 0 CEAEMP Cc1ccccc1[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110705309 186314057 /nfs/dbraw/zinc/31/40/57/186314057.db2.gz MMCBYUBNAVGVIC-OAHLLOKOSA-N 2 1 261.413 2.021 10 0 CEAEMP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110704808 186314453 /nfs/dbraw/zinc/31/44/53/186314453.db2.gz XVDGCGFPXWUZNT-JSGCOSHPSA-N 2 1 265.401 2.002 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705273 186314742 /nfs/dbraw/zinc/31/47/42/186314742.db2.gz RCSQEHZDKKOIHR-WFASDCNBSA-N 2 1 279.403 2.240 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2cc(C)ccc2C)CC[N@H+]1C ZINC000110709867 186315324 /nfs/dbraw/zinc/31/53/24/186315324.db2.gz IJYUJRQINISYNR-WBVHZDCISA-N 2 1 275.440 2.329 10 0 CEAEMP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716617 186315704 /nfs/dbraw/zinc/31/57/04/186315704.db2.gz GIUHMODRFGMGJH-IAGOWNOFSA-N 2 1 287.451 2.288 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110747048 186319882 /nfs/dbraw/zinc/31/98/82/186319882.db2.gz KNESKASYTCIJDM-MRXNPFEDSA-N 2 1 275.440 2.411 10 0 CEAEMP CC[C@@H]1CN(CCC[NH2+]C2CCCCC2)CC[N@H+]1C ZINC000110757045 186320359 /nfs/dbraw/zinc/32/03/59/186320359.db2.gz JWGNYCBBUVYOCB-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH2+]C[C@H](c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755494 186321274 /nfs/dbraw/zinc/32/12/74/186321274.db2.gz FVXGOMYLQKNNEF-MRXNPFEDSA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC[N@H+]1C ZINC000110752332 186322106 /nfs/dbraw/zinc/32/21/06/186322106.db2.gz DULRJURTFIAMFF-PBHICJAKSA-N 2 1 273.424 2.116 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022625 186344896 /nfs/dbraw/zinc/34/48/96/186344896.db2.gz KKVYMNUIYIUOEB-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@H+](C)CCN(C)C)c1 ZINC000111149564 186359411 /nfs/dbraw/zinc/35/94/11/186359411.db2.gz PGFXEJKAKSJUSW-UHFFFAOYSA-N 2 1 263.429 2.178 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+](C)CCN(C)C)c1 ZINC000111149564 186359412 /nfs/dbraw/zinc/35/94/12/186359412.db2.gz PGFXEJKAKSJUSW-UHFFFAOYSA-N 2 1 263.429 2.178 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@H+](CC)Cc2ccncc2)CCCOC1 ZINC000111326790 186398680 /nfs/dbraw/zinc/39/86/80/186398680.db2.gz NAUUCNCAGVRWHL-KRWDZBQOSA-N 2 1 291.439 2.310 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@@H+](CC)Cc2ccncc2)CCCOC1 ZINC000111326790 186398681 /nfs/dbraw/zinc/39/86/81/186398681.db2.gz NAUUCNCAGVRWHL-KRWDZBQOSA-N 2 1 291.439 2.310 10 0 CEAEMP CCCC[N@@H+](C[C@@]1(C[NH2+]C)CCCOC1)C1CC1 ZINC000111326636 186399101 /nfs/dbraw/zinc/39/91/01/186399101.db2.gz JTSHURCSODDBGY-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337240262 366098105 /nfs/dbraw/zinc/09/81/05/366098105.db2.gz AUWFJXIHZLRMNM-YYIAUSFCSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337240262 366098112 /nfs/dbraw/zinc/09/81/12/366098112.db2.gz AUWFJXIHZLRMNM-YYIAUSFCSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337240262 366098120 /nfs/dbraw/zinc/09/81/20/366098120.db2.gz AUWFJXIHZLRMNM-YYIAUSFCSA-N 2 1 280.456 2.486 10 0 CEAEMP COCC[NH+]1CCC(CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000134928767 366375865 /nfs/dbraw/zinc/37/58/65/366375865.db2.gz LCHZPSKPROCPKL-UHFFFAOYSA-N 2 1 288.395 2.333 10 0 CEAEMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832313 299280602 /nfs/dbraw/zinc/28/06/02/299280602.db2.gz HVRQGHJISCIEMC-JQHSSLGASA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832313 299280604 /nfs/dbraw/zinc/28/06/04/299280604.db2.gz HVRQGHJISCIEMC-JQHSSLGASA-N 2 1 287.451 2.239 10 0 CEAEMP Cc1cc([C@H]2C[NH2+]C[C@]2(C)[NH3+])ccc1Br ZINC000685965602 540664264 /nfs/dbraw/zinc/66/42/64/540664264.db2.gz KZPMLTXXKQDYTO-PWSUYJOCSA-N 2 1 269.186 2.162 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccs2)CC1 ZINC000179515822 189199220 /nfs/dbraw/zinc/19/92/20/189199220.db2.gz SQPJMEKSRKSKRN-ZDUSSCGKSA-N 2 1 282.453 2.273 10 0 CEAEMP Cc1ncsc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275536273 193070491 /nfs/dbraw/zinc/07/04/91/193070491.db2.gz MINKCUGFTTUBBK-NSHDSACASA-N 2 1 262.382 2.000 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000631839127 367579175 /nfs/dbraw/zinc/57/91/75/367579175.db2.gz AQTPKEWWXNATHD-FZMZJTMJSA-N 2 1 273.355 2.401 10 0 CEAEMP CSc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843005 367585235 /nfs/dbraw/zinc/58/52/35/367585235.db2.gz IHMMANHCVZSRMM-AAEUAGOBSA-N 2 1 250.411 2.435 10 0 CEAEMP CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231454145 370478822 /nfs/dbraw/zinc/47/88/22/370478822.db2.gz IGNRHFBKXLBRHZ-MRXNPFEDSA-N 2 1 275.396 2.219 10 0 CEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000246719535 370999743 /nfs/dbraw/zinc/99/97/43/370999743.db2.gz XMZGWJYFOSKOHA-ILXRZTDVSA-N 2 1 295.471 2.131 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248030705 371155773 /nfs/dbraw/zinc/15/57/73/371155773.db2.gz KHBUPAHPTJMTPD-FZKCQIBNSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248030705 371155777 /nfs/dbraw/zinc/15/57/77/371155777.db2.gz KHBUPAHPTJMTPD-FZKCQIBNSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248030705 371155780 /nfs/dbraw/zinc/15/57/80/371155780.db2.gz KHBUPAHPTJMTPD-FZKCQIBNSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248030705 371155782 /nfs/dbraw/zinc/15/57/82/371155782.db2.gz KHBUPAHPTJMTPD-FZKCQIBNSA-N 2 1 294.439 2.277 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCCO3)C2)[nH+]1 ZINC000249903527 371369982 /nfs/dbraw/zinc/36/99/82/371369982.db2.gz UGVCHBKMMBQRIE-HUUCEWRRSA-N 2 1 275.396 2.303 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCCO3)C2)[nH+]1 ZINC000249903527 371369985 /nfs/dbraw/zinc/36/99/85/371369985.db2.gz UGVCHBKMMBQRIE-HUUCEWRRSA-N 2 1 275.396 2.303 10 0 CEAEMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000261607353 371675791 /nfs/dbraw/zinc/67/57/91/371675791.db2.gz DCKGPSZENLFASX-CFVMTHIKSA-N 2 1 290.407 2.181 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000261577493 371659562 /nfs/dbraw/zinc/65/95/62/371659562.db2.gz CSXBJPXBXXOOPT-OUCADQQQSA-N 2 1 264.344 2.003 10 0 CEAEMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cncc(F)c1 ZINC000361121365 371663601 /nfs/dbraw/zinc/66/36/01/371663601.db2.gz VMTXCASNDAHXTE-BXUZGUMPSA-N 2 1 251.349 2.356 10 0 CEAEMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cncc(F)c1 ZINC000361121365 371663604 /nfs/dbraw/zinc/66/36/04/371663604.db2.gz VMTXCASNDAHXTE-BXUZGUMPSA-N 2 1 251.349 2.356 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705468 371706292 /nfs/dbraw/zinc/70/62/92/371706292.db2.gz CXCABVWRVHHJQO-DOTOQJQBSA-N 3 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)[nH+]1 ZINC000261705468 371706307 /nfs/dbraw/zinc/70/63/07/371706307.db2.gz CXCABVWRVHHJQO-DOTOQJQBSA-N 3 1 288.439 2.123 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@@H]12 ZINC000261755626 371722292 /nfs/dbraw/zinc/72/22/92/371722292.db2.gz CNBOOZTVMOUECM-QJPTWQEYSA-N 2 1 263.410 2.190 10 0 CEAEMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cnc21 ZINC000261653519 371693995 /nfs/dbraw/zinc/69/39/95/371693995.db2.gz FHQUTEUFZZROEY-MRXNPFEDSA-N 2 1 287.411 2.183 10 0 CEAEMP CC(C)n1ncc2cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cnc21 ZINC000261653519 371693999 /nfs/dbraw/zinc/69/39/99/371693999.db2.gz FHQUTEUFZZROEY-MRXNPFEDSA-N 2 1 287.411 2.183 10 0 CEAEMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1F ZINC000261992588 371792402 /nfs/dbraw/zinc/79/24/02/371792402.db2.gz SXXGTOFARKUFDO-DJIMGWMZSA-N 2 1 292.398 2.381 10 0 CEAEMP Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261896795 371765131 /nfs/dbraw/zinc/76/51/31/371765131.db2.gz HGAGNEGVCWHQGN-MJBXVCDLSA-N 2 1 280.437 2.303 10 0 CEAEMP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261925576 371773111 /nfs/dbraw/zinc/77/31/11/371773111.db2.gz LAMZDDDBZPYYEC-RRFJBIMHSA-N 2 1 280.437 2.037 10 0 CEAEMP Cc1nc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000275540138 374218037 /nfs/dbraw/zinc/21/80/37/374218037.db2.gz MPMMHLWULGWGBB-LLVKDONJSA-N 2 1 262.382 2.000 10 0 CEAEMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000380177755 375160506 /nfs/dbraw/zinc/16/05/06/375160506.db2.gz ODQYIZCGMBJVNX-ZLKJLUDKSA-N 2 1 250.411 2.480 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)CC(C)(C)O)CCCC1 ZINC000092983234 184640195 /nfs/dbraw/zinc/64/01/95/184640195.db2.gz PMYXFSNHGOMKDJ-UHFFFAOYSA-N 2 1 270.461 2.495 10 0 CEAEMP CCC[C@@H](CC[NH3+])CCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000094462584 184805224 /nfs/dbraw/zinc/80/52/24/184805224.db2.gz XJGGBZSHLKTSLT-HZPDHXFCSA-N 2 1 267.461 2.312 10 0 CEAEMP COCC[N@@H+](C)Cc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000094758028 184854046 /nfs/dbraw/zinc/85/40/46/184854046.db2.gz GOLAZTCVEYFALJ-UHFFFAOYSA-N 2 1 265.401 2.048 10 0 CEAEMP C[C@H]([NH3+])C(C)(C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000091402157 135068966 /nfs/dbraw/zinc/06/89/66/135068966.db2.gz MMAPZRLZQMTJTQ-ZDUSSCGKSA-N 2 1 279.403 2.321 10 0 CEAEMP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093068438 135079163 /nfs/dbraw/zinc/07/91/63/135079163.db2.gz PRYFMRXYUCMSHF-JKSUJKDBSA-N 2 1 275.440 2.361 10 0 CEAEMP CCC[NH2+]Cc1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000094443204 135088754 /nfs/dbraw/zinc/08/87/54/135088754.db2.gz VMPXBKXLVRFJJV-MRXNPFEDSA-N 2 1 288.439 2.256 10 0 CEAEMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000289325627 395074539 /nfs/dbraw/zinc/07/45/39/395074539.db2.gz UFKOAPDKNYZIPM-UHFFFAOYSA-N 2 1 259.353 2.304 10 0 CEAEMP C[C@@H]1CCN(c2cc[nH+]cc2Br)C[C@@H]1C[NH3+] ZINC000167684687 296564982 /nfs/dbraw/zinc/56/49/82/296564982.db2.gz SZPUPLIZUZPEBH-ZJUUUORDSA-N 2 1 284.201 2.265 10 0 CEAEMP [NH3+]CC[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159905548 162318629 /nfs/dbraw/zinc/31/86/29/162318629.db2.gz RHJCJMQADJHZOZ-JTQLQIEISA-N 2 1 284.201 2.409 10 0 CEAEMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000123821110 287101941 /nfs/dbraw/zinc/10/19/41/287101941.db2.gz SMBYAGABOUNUMB-CABCVRRESA-N 2 1 254.418 2.098 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365734 171164324 /nfs/dbraw/zinc/16/43/24/171164324.db2.gz YJCNPWMGJHMQQF-UONOGXRCSA-N 2 1 271.449 2.001 10 0 CEAEMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221104 171377575 /nfs/dbraw/zinc/37/75/75/171377575.db2.gz VUZQHEHNAGRSRB-MJBXVCDLSA-N 2 1 289.423 2.450 10 0 CEAEMP CC(C)C[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221708 173041964 /nfs/dbraw/zinc/04/19/64/173041964.db2.gz XAWYRTURERWXRS-BZUAXINKSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000037221708 173041967 /nfs/dbraw/zinc/04/19/67/173041967.db2.gz XAWYRTURERWXRS-BZUAXINKSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000037221708 173041969 /nfs/dbraw/zinc/04/19/69/173041969.db2.gz XAWYRTURERWXRS-BZUAXINKSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037321292 173122224 /nfs/dbraw/zinc/12/22/24/173122224.db2.gz BPZAUSMCWRWQQH-CVEARBPZSA-N 2 1 266.429 2.310 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000040593167 174347926 /nfs/dbraw/zinc/34/79/26/174347926.db2.gz MJXYWSBDWWBOAI-CQSZACIVSA-N 2 1 262.397 2.440 10 0 CEAEMP CC(C)Oc1ncccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129182531 414811940 /nfs/dbraw/zinc/81/19/40/414811940.db2.gz LLAXGLWJPRROKY-AWEZNQCLSA-N 2 1 263.385 2.101 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCC(C)CC1)OCCO2 ZINC000043806890 175108212 /nfs/dbraw/zinc/10/82/12/175108212.db2.gz IGPBSFZPBHRMQO-HOTGVXAUSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[NH+]1CCCCC1)OCCO2 ZINC000043814527 175111690 /nfs/dbraw/zinc/11/16/90/175111690.db2.gz JHVWEHJUYPKKDC-HUUCEWRRSA-N 2 1 282.428 2.136 10 0 CEAEMP CC[NH2+][C@@H](C)CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000043817809 175112893 /nfs/dbraw/zinc/11/28/93/175112893.db2.gz SOTKNUQQXJPEIK-DOTOQJQBSA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818517 175113039 /nfs/dbraw/zinc/11/30/39/175113039.db2.gz VNROVPZVNPUKOT-JYJNAYRXSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](CC)C1CCCC1 ZINC000043890912 175118134 /nfs/dbraw/zinc/11/81/34/175118134.db2.gz BDXARPUKCXZVIC-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CC)C1CCCC1 ZINC000043890912 175118135 /nfs/dbraw/zinc/11/81/35/175118135.db2.gz BDXARPUKCXZVIC-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](CCCOC)CCOC ZINC000043970881 175131969 /nfs/dbraw/zinc/13/19/69/175131969.db2.gz VHBUWDMTJVWJHX-JKSUJKDBSA-N 2 1 286.460 2.282 10 0 CEAEMP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](CCCOC)CCOC ZINC000043970881 175131971 /nfs/dbraw/zinc/13/19/71/175131971.db2.gz VHBUWDMTJVWJHX-JKSUJKDBSA-N 2 1 286.460 2.282 10 0 CEAEMP CC(C)CCOCC[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000045109372 175309369 /nfs/dbraw/zinc/30/93/69/175309369.db2.gz CHXITXMEDYLILC-CABCVRRESA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279129 175349163 /nfs/dbraw/zinc/34/91/63/175349163.db2.gz WXVWVDQNBAAKCP-LZWOXQAQSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279129 175349165 /nfs/dbraw/zinc/34/91/65/175349165.db2.gz WXVWVDQNBAAKCP-LZWOXQAQSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045370430 175364540 /nfs/dbraw/zinc/36/45/40/175364540.db2.gz FFUQPQLLHFKBJH-CQSZACIVSA-N 2 1 258.406 2.169 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045372306 175364935 /nfs/dbraw/zinc/36/49/35/175364935.db2.gz PTTVTDKNHCNETF-OAHLLOKOSA-N 2 1 269.433 2.014 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375933 175366189 /nfs/dbraw/zinc/36/61/89/175366189.db2.gz SEZOXGYWADXUOQ-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[NH+](C)C)[NH2+]C(C)C ZINC000045380122 175369096 /nfs/dbraw/zinc/36/90/96/175369096.db2.gz SNUAVZOOWGGMBJ-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C(C)C ZINC000045391935 175375280 /nfs/dbraw/zinc/37/52/80/175375280.db2.gz FMAHKUUFFFGKIW-JSGCOSHPSA-N 2 1 258.406 2.023 10 0 CEAEMP [NH3+]C1CC[NH+](C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000070459727 175942130 /nfs/dbraw/zinc/94/21/30/175942130.db2.gz FAUNZQJOOLDENE-ZDUSSCGKSA-N 2 1 288.313 2.162 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@@H](CN[C@@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277291 415669441 /nfs/dbraw/zinc/66/94/41/415669441.db2.gz YKSYOXBOQXABPF-QZTJIDSGSA-N 2 1 299.462 2.240 10 0 CEAEMP C[N@@H+](Cc1ccc(CC[NH3+])cc1)Cc1cccnc1 ZINC000070542609 175978334 /nfs/dbraw/zinc/97/83/34/175978334.db2.gz CTWOHGCOVWQQNE-UHFFFAOYSA-N 2 1 255.365 2.215 10 0 CEAEMP CC[C@H]1CN(C[C@@H](C)C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000070942716 176015687 /nfs/dbraw/zinc/01/56/87/176015687.db2.gz SKUSJUOJWUTEIH-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP C[N@@H+](C[C@@H](C[NH3+])c1ccccc1)CC1CCOCC1 ZINC000070943340 176016046 /nfs/dbraw/zinc/01/60/46/176016046.db2.gz NIXZFIVNCQCDJM-MRXNPFEDSA-N 2 1 262.397 2.087 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000071162187 176046169 /nfs/dbraw/zinc/04/61/69/176046169.db2.gz DHQFBXYTKKXONO-GVDBMIGSSA-N 2 1 279.472 2.454 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188084 176061999 /nfs/dbraw/zinc/06/19/99/176061999.db2.gz WUNPGMQCROCONR-WOSRLPQWSA-N 2 1 279.403 2.098 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188141 176063036 /nfs/dbraw/zinc/06/30/36/176063036.db2.gz XHYWZQVXYGIQAM-IIAWOOMASA-N 2 1 279.428 2.250 10 0 CEAEMP C[C@H](c1ccccc1)[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188407 176063085 /nfs/dbraw/zinc/06/30/85/176063085.db2.gz QMWMPRLWQGNLAY-INMHGKMJSA-N 2 1 275.440 2.001 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188913 176063544 /nfs/dbraw/zinc/06/35/44/176063544.db2.gz VEKYICADVUSPIG-FZKCQIBNSA-N 2 1 267.461 2.037 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188714 176063635 /nfs/dbraw/zinc/06/36/35/176063635.db2.gz DSIPWUJWJTTXJP-BFYDXBDKSA-N 2 1 275.440 2.267 10 0 CEAEMP CC[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190585 176066892 /nfs/dbraw/zinc/06/68/92/176066892.db2.gz FLUJEAHBDVTLQY-HYVNUMGLSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@@H]([C@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190585 176066893 /nfs/dbraw/zinc/06/68/93/176066893.db2.gz FLUJEAHBDVTLQY-HYVNUMGLSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@@H]([C@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190585 176066895 /nfs/dbraw/zinc/06/68/95/176066895.db2.gz FLUJEAHBDVTLQY-HYVNUMGLSA-N 2 1 276.424 2.382 10 0 CEAEMP Cc1ccc(C)c([C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071190679 176067914 /nfs/dbraw/zinc/06/79/14/176067914.db2.gz SHSXWRGXQXKVFW-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc(C)c([C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071190679 176067916 /nfs/dbraw/zinc/06/79/16/176067916.db2.gz SHSXWRGXQXKVFW-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc(C)c([C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071190679 176067917 /nfs/dbraw/zinc/06/79/17/176067917.db2.gz SHSXWRGXQXKVFW-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc(C)c([C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071190679 176067918 /nfs/dbraw/zinc/06/79/18/176067918.db2.gz SHSXWRGXQXKVFW-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP C[NH2+]CC1(CN(C)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191451 176069556 /nfs/dbraw/zinc/06/95/56/176069556.db2.gz PTXGVNJBEALEPL-HNNXBMFYSA-N 2 1 267.461 2.040 10 0 CEAEMP Cc1ccccc1[C@H]([NH3+])CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191298 176070056 /nfs/dbraw/zinc/07/00/56/176070056.db2.gz FNKNYKYMHAFGLI-NVXWUHKLSA-N 2 1 275.440 2.268 10 0 CEAEMP CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192327 176074045 /nfs/dbraw/zinc/07/40/45/176074045.db2.gz ZRLFHCYMNOENSY-RRFJBIMHSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[C@]1(C[NH2+]Cc2scnc2C)CC[NH2+]C1 ZINC000071213777 176085174 /nfs/dbraw/zinc/08/51/74/176085174.db2.gz COWIKKQXPRICND-ZDUSSCGKSA-N 2 1 253.415 2.321 10 0 CEAEMP CCC[N@H+](CCN(C)C)Cc1ccc(F)cc1C[NH3+] ZINC000071263570 176096716 /nfs/dbraw/zinc/09/67/16/176096716.db2.gz ASXWONAGSYXEIN-UHFFFAOYSA-N 2 1 267.392 2.058 10 0 CEAEMP CCC[N@@H+](CCN(C)C)Cc1ccc(F)cc1C[NH3+] ZINC000071263570 176096717 /nfs/dbraw/zinc/09/67/17/176096717.db2.gz ASXWONAGSYXEIN-UHFFFAOYSA-N 2 1 267.392 2.058 10 0 CEAEMP C[N@@H+](CCc1ccncc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267725 176101037 /nfs/dbraw/zinc/10/10/37/176101037.db2.gz KBEOATNJDLFLLG-UHFFFAOYSA-N 2 1 286.354 2.179 10 0 CEAEMP CCCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000071314815 176121040 /nfs/dbraw/zinc/12/10/40/176121040.db2.gz FYXGRBLLEUGRFW-ZWKOTPCHSA-N 2 1 287.451 2.335 10 0 CEAEMP C[N@@H+](CCn1c(N)[nH+]c2ccccc21)C1CCCC1 ZINC000071377697 176142573 /nfs/dbraw/zinc/14/25/73/176142573.db2.gz IDQVCWDJRSXBJK-UHFFFAOYSA-N 2 1 258.369 2.493 10 0 CEAEMP Cc1ccc(N)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000071384089 176146995 /nfs/dbraw/zinc/14/69/95/176146995.db2.gz UTZBJUNUXFBVBB-UHFFFAOYSA-N 2 1 261.413 2.351 10 0 CEAEMP CC[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)CCOC ZINC000071401854 176154015 /nfs/dbraw/zinc/15/40/15/176154015.db2.gz SIDWCESQRZXPFP-OAHLLOKOSA-N 2 1 250.386 2.435 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000390529751 262207081 /nfs/dbraw/zinc/20/70/81/262207081.db2.gz LGTCYUSRVDKRHX-MSOLQXFVSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(CN2CCC[C@H]2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000390529751 262207082 /nfs/dbraw/zinc/20/70/82/262207082.db2.gz LGTCYUSRVDKRHX-MSOLQXFVSA-N 2 1 287.451 2.383 10 0 CEAEMP C[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000390609539 262226964 /nfs/dbraw/zinc/22/69/64/262226964.db2.gz ZDWWJVAYJFOJAR-RDJZCZTQSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000390609539 262226966 /nfs/dbraw/zinc/22/69/66/262226966.db2.gz ZDWWJVAYJFOJAR-RDJZCZTQSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000121086566 278395468 /nfs/dbraw/zinc/39/54/68/278395468.db2.gz NVCCLYYLUQENGQ-CVEARBPZSA-N 2 1 280.456 2.367 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947375 279133690 /nfs/dbraw/zinc/13/36/90/279133690.db2.gz SCRXJASFXNLERZ-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947375 279133692 /nfs/dbraw/zinc/13/36/92/279133692.db2.gz SCRXJASFXNLERZ-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947375 279133694 /nfs/dbraw/zinc/13/36/94/279133694.db2.gz SCRXJASFXNLERZ-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP CCC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000136099015 280058018 /nfs/dbraw/zinc/05/80/18/280058018.db2.gz YILRSVIEIFJHRT-HOTGVXAUSA-N 2 1 297.487 2.345 10 0 CEAEMP 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 280297946 /nfs/dbraw/zinc/29/79/46/280297946.db2.gz SIXCDIGAVJWVGN-OWYFMNJBSA-N 2 1 295.471 2.093 10 0 CEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246505807 280297949 /nfs/dbraw/zinc/29/79/49/280297949.db2.gz SIXCDIGAVJWVGN-OWYFMNJBSA-N 2 1 295.471 2.093 10 0 CEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@H](C)C1 ZINC000247963816 280341191 /nfs/dbraw/zinc/34/11/91/280341191.db2.gz GNVPQWBPNJYUAS-YYIAUSFCSA-N 2 1 298.471 2.017 10 0 CEAEMP CCc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000562956901 298725185 /nfs/dbraw/zinc/72/51/85/298725185.db2.gz ALFFBQLRXULOSF-CMPLNLGQSA-N 2 1 251.374 2.023 10 0 CEAEMP CC(C)[C@H](C[NH+](C)C)NC(=[NH2+])NC1CCCCC1 ZINC000052048359 519814009 /nfs/dbraw/zinc/81/40/09/519814009.db2.gz NBDRNCJVEPTSKY-ZDUSSCGKSA-N 2 1 254.422 2.019 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@H]2CCSC2)CCOCC1 ZINC000052181488 519910316 /nfs/dbraw/zinc/91/03/16/519910316.db2.gz CBQMUVYIPVBJNQ-AWEZNQCLSA-N 2 1 286.485 2.220 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419883 519913303 /nfs/dbraw/zinc/91/33/03/519913303.db2.gz TYCHBLIJYGALGJ-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000052476331 520003097 /nfs/dbraw/zinc/00/30/97/520003097.db2.gz PIPIUQUDNOYEJQ-UONOGXRCSA-N 2 1 262.397 2.405 10 0 CEAEMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052480761 521037179 /nfs/dbraw/zinc/03/71/79/521037179.db2.gz WPPZVXKJKYVLCE-CFVMTHIKSA-N 2 1 254.418 2.406 10 0 CEAEMP CC[N@@H+](CCOC)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052542741 521135025 /nfs/dbraw/zinc/13/50/25/521135025.db2.gz XNKYPSFFWYEQCO-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP CCCc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)sc1C[NH3+] ZINC000054998279 521529250 /nfs/dbraw/zinc/52/92/50/521529250.db2.gz UXAKHKBJBGITDQ-LLVKDONJSA-N 2 1 282.457 2.085 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](CCOC)CC(C)C)c(C)o1 ZINC000052508727 522107962 /nfs/dbraw/zinc/10/79/62/522107962.db2.gz XBQZLOGSASIBRF-UHFFFAOYSA-N 2 1 268.401 2.412 10 0 CEAEMP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCN(C2CCCC2)CC1 ZINC000052764754 518396635 /nfs/dbraw/zinc/39/66/35/518396635.db2.gz YOUQSDZPVBBJDI-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP CC(C)(C)N1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953239 518711566 /nfs/dbraw/zinc/71/15/66/518711566.db2.gz QRSIBPDITVYRCX-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[NH2+]Cc1cn(CC[N@@H+](C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000052546758 519728761 /nfs/dbraw/zinc/72/87/61/519728761.db2.gz DPYKQHBFLHXHRJ-HOCLYGCPSA-N 2 1 293.459 2.287 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516852 519735538 /nfs/dbraw/zinc/73/55/38/519735538.db2.gz GUBVGOKDHWZOSN-INIZCTEOSA-N 2 1 283.460 2.131 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637954 519740031 /nfs/dbraw/zinc/74/00/31/519740031.db2.gz GRHVNSFDHUWHFL-XJKSGUPXSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637954 519740033 /nfs/dbraw/zinc/74/00/33/519740033.db2.gz GRHVNSFDHUWHFL-XJKSGUPXSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)C[NH2+]CCCCCN1CCC([NH+](C)C)CC1 ZINC000052477760 519743167 /nfs/dbraw/zinc/74/31/67/519743167.db2.gz JHTMBXGUJAACQH-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCCN(C)CC1 ZINC000052424319 519743510 /nfs/dbraw/zinc/74/35/10/519743510.db2.gz XNKLUYOPLUKSKH-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543415 519745550 /nfs/dbraw/zinc/74/55/50/519745550.db2.gz WMHFTQZZHYKIIB-UONOGXRCSA-N 2 1 256.434 2.367 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543415 519745552 /nfs/dbraw/zinc/74/55/52/519745552.db2.gz WMHFTQZZHYKIIB-UONOGXRCSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547427 519925368 /nfs/dbraw/zinc/92/53/68/519925368.db2.gz VKPKQWVYYMVGDC-JYJNAYRXSA-N 2 1 286.460 2.281 10 0 CEAEMP CC[NH2+]C[C@@H](C)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702362 519944114 /nfs/dbraw/zinc/94/41/14/519944114.db2.gz OHPLHADTFMHFRM-ZBFHGGJFSA-N 2 1 262.397 2.276 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425385 519977240 /nfs/dbraw/zinc/97/72/40/519977240.db2.gz OMNZAJZTTSXCEZ-CVEARBPZSA-N 2 1 280.387 2.415 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000052476331 520003092 /nfs/dbraw/zinc/00/30/92/520003092.db2.gz PIPIUQUDNOYEJQ-UONOGXRCSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]Cc1oc2ccccc2c1C[NH+]1CCN(C)CC1 ZINC000052379335 520030647 /nfs/dbraw/zinc/03/06/47/520030647.db2.gz UZWQEWFHLWAYJN-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068620990 520043298 /nfs/dbraw/zinc/04/32/98/520043298.db2.gz CBFBRUHMTQLBEQ-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068620990 520043307 /nfs/dbraw/zinc/04/33/07/520043307.db2.gz CBFBRUHMTQLBEQ-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@H](C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075598 520081283 /nfs/dbraw/zinc/08/12/83/520081283.db2.gz UQLCZBYOWKMIMP-MRXNPFEDSA-N 3 1 267.461 2.038 10 0 CEAEMP CCC[NH2+][C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075598 520081286 /nfs/dbraw/zinc/08/12/86/520081286.db2.gz UQLCZBYOWKMIMP-MRXNPFEDSA-N 3 1 267.461 2.038 10 0 CEAEMP CC[NH2+][C@@H]1CCCc2nc(N3CCC[N@@H+](C)CC3)sc21 ZINC000054899115 520119332 /nfs/dbraw/zinc/11/93/32/520119332.db2.gz DNPXSBPBTRETPK-GFCCVEGCSA-N 2 1 294.468 2.272 10 0 CEAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](C)CC[NH2+]C2CC2)C1 ZINC000052371681 520275222 /nfs/dbraw/zinc/27/52/22/520275222.db2.gz IMJOASNIYRKKAH-DZGCQCFKSA-N 2 1 254.418 2.408 10 0 CEAEMP CCN(CC)C(=O)CCC[N@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063138904 520460720 /nfs/dbraw/zinc/46/07/20/520460720.db2.gz CIRLOYLZPVBNJT-INIZCTEOSA-N 2 1 297.487 2.345 10 0 CEAEMP CCCCOCC[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049264138 520760285 /nfs/dbraw/zinc/76/02/85/520760285.db2.gz JHOCNMIVFMSSET-YIONKMFJSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)[C@H](C2CC2)C[NH2+]1 ZINC000068701056 520839213 /nfs/dbraw/zinc/83/92/13/520839213.db2.gz WAMQTHIJICYECN-CVEARBPZSA-N 2 1 276.428 2.044 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C)C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653434 520909793 /nfs/dbraw/zinc/90/97/93/520909793.db2.gz ONENRHGEKBAIKR-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C)C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653434 520909798 /nfs/dbraw/zinc/90/97/98/520909798.db2.gz ONENRHGEKBAIKR-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1occc1C[NH2+]C ZINC000052547259 522091479 /nfs/dbraw/zinc/09/14/79/522091479.db2.gz SMVZHMMEWABTKT-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052547355 522093420 /nfs/dbraw/zinc/09/34/20/522093420.db2.gz MRXHGHBQNSGLKY-LLVKDONJSA-N 2 1 254.374 2.294 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)C2CCC(C)CC2)on1 ZINC000052345389 522102331 /nfs/dbraw/zinc/10/23/31/522102331.db2.gz JESRZDIHIMIJIK-UHFFFAOYSA-N 2 1 251.374 2.405 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540362 522108655 /nfs/dbraw/zinc/10/86/55/522108655.db2.gz YSZQNWXSWIYEHQ-LSDHHAIUSA-N 2 1 264.369 2.061 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540362 522108661 /nfs/dbraw/zinc/10/86/61/522108661.db2.gz YSZQNWXSWIYEHQ-LSDHHAIUSA-N 2 1 264.369 2.061 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000052480999 522116803 /nfs/dbraw/zinc/11/68/03/522116803.db2.gz WSDHSCUHFKXXCW-UHFFFAOYSA-N 2 1 255.365 2.433 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000052483138 522117222 /nfs/dbraw/zinc/11/72/22/522117222.db2.gz DSMVNXWDIWUZHQ-UHFFFAOYSA-N 2 1 269.392 2.476 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](CCOC)CC(C)C)o1 ZINC000052508517 522118574 /nfs/dbraw/zinc/11/85/74/522118574.db2.gz AFRQMIYFPRGALC-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000052543847 522123509 /nfs/dbraw/zinc/12/35/09/522123509.db2.gz SUVVVVHVQLQPIT-LSDHHAIUSA-N 2 1 260.381 2.269 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccncc1 ZINC000052481035 522133135 /nfs/dbraw/zinc/13/31/35/522133135.db2.gz WWMCCNFAFNAOFB-UHFFFAOYSA-N 2 1 255.365 2.433 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccccn1 ZINC000052478906 522133939 /nfs/dbraw/zinc/13/39/39/522133939.db2.gz JTUAYILLNXYADP-UHFFFAOYSA-N 2 1 255.365 2.433 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1[C@H]1CCC[N@H+](C)C1 ZINC000052853667 522490657 /nfs/dbraw/zinc/49/06/57/522490657.db2.gz MQSZIXUQLMFDMX-LBPRGKRZSA-N 2 1 258.369 2.448 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1[C@H]1CCC[N@@H+](C)C1 ZINC000052853667 522490661 /nfs/dbraw/zinc/49/06/61/522490661.db2.gz MQSZIXUQLMFDMX-LBPRGKRZSA-N 2 1 258.369 2.448 10 0 CEAEMP C[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccccn1 ZINC000050952482 522728571 /nfs/dbraw/zinc/72/85/71/522728571.db2.gz ZOIRSNHCDRLFGZ-UHFFFAOYSA-N 2 1 261.413 2.336 10 0 CEAEMP CN1CCC([N@@H+](C)CCCC[NH2+]C(C)(C)C)CC1 ZINC000052419760 522734999 /nfs/dbraw/zinc/73/49/99/522734999.db2.gz MYMWRNGVTCKXNJ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@H+](CCCC[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419760 522735004 /nfs/dbraw/zinc/73/50/04/522735004.db2.gz MYMWRNGVTCKXNJ-UHFFFAOYSA-N 3 1 255.450 2.181 10 0 CEAEMP C[N@@H+](CCCC[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419760 522735010 /nfs/dbraw/zinc/73/50/10/522735010.db2.gz MYMWRNGVTCKXNJ-UHFFFAOYSA-N 3 1 255.450 2.181 10 0 CEAEMP Cn1cc[nH+]c1NCCC[N@@H+](C)Cc1ccccc1 ZINC000050605673 522772437 /nfs/dbraw/zinc/77/24/37/522772437.db2.gz GEIOELVMMQXVGX-UHFFFAOYSA-N 2 1 258.369 2.354 10 0 CEAEMP Cn1cc[nH+]c1NCCC[N@@H+](C)C1CCCCC1 ZINC000050606018 522773823 /nfs/dbraw/zinc/77/38/23/522773823.db2.gz CDJUBUQBFMLLGM-UHFFFAOYSA-N 2 1 250.390 2.487 10 0 CEAEMP C[N@@H+](C[C@H]1CCCO1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182993 523126977 /nfs/dbraw/zinc/12/69/77/523126977.db2.gz MGCOKQLORMARKT-OAHLLOKOSA-N 2 1 298.471 2.282 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570957 523517504 /nfs/dbraw/zinc/51/75/04/523517504.db2.gz WEAPWMZFXXWEQD-ZWNOBZJWSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH3+])c(C)o1 ZINC000052570957 523517511 /nfs/dbraw/zinc/51/75/11/523517511.db2.gz WEAPWMZFXXWEQD-ZWNOBZJWSA-N 2 1 252.358 2.046 10 0 CEAEMP COCC[NH+](CCOC)Cc1occc1C[NH2+]C(C)(C)C ZINC000052571389 523721783 /nfs/dbraw/zinc/72/17/83/523721783.db2.gz BJLNXWOAQVXQQQ-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP COCC[N@@H+]([C@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572464 523781643 /nfs/dbraw/zinc/78/16/43/523781643.db2.gz TXPLIAYXRLYHMR-KGLIPLIRSA-N 2 1 274.449 2.136 10 0 CEAEMP C[C@H]1CCC[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180803 524086496 /nfs/dbraw/zinc/08/64/96/524086496.db2.gz YCVNKYXROCYFKG-AWEZNQCLSA-N 2 1 266.429 2.267 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055125533 524101437 /nfs/dbraw/zinc/10/14/37/524101437.db2.gz XNKLIBUUDLJSGZ-QQFBHYJXSA-N 2 1 295.471 2.275 10 0 CEAEMP C[C@H]1CCC[C@@](C[NH2+]CCCCCO)([NH+](C)C)C1 ZINC000051021031 524169510 /nfs/dbraw/zinc/16/95/10/524169510.db2.gz WCTWMJJYHABZQK-LSDHHAIUSA-N 2 1 256.434 2.249 10 0 CEAEMP C[C@@H]1CCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180446 524261131 /nfs/dbraw/zinc/26/11/31/524261131.db2.gz BUFUFIPZELCGGK-CYBMUJFWSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@H](C[NH+]1CCCC1)[NH2+]CCCOCC(F)(F)F ZINC000049312458 524316845 /nfs/dbraw/zinc/31/68/45/524316845.db2.gz AZABGZLGARUWIW-LLVKDONJSA-N 2 1 268.323 2.029 10 0 CEAEMP C[C@@H]1C[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)CC(C)(C)O1 ZINC000052183156 524933768 /nfs/dbraw/zinc/93/37/68/524933768.db2.gz PNZOKCUMKUCQEO-CQSZACIVSA-N 2 1 296.455 2.035 10 0 CEAEMP C[C@@H]1C[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)CC(C)(C)O1 ZINC000052183156 524933777 /nfs/dbraw/zinc/93/37/77/524933777.db2.gz PNZOKCUMKUCQEO-CQSZACIVSA-N 2 1 296.455 2.035 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000054794232 525460974 /nfs/dbraw/zinc/46/09/74/525460974.db2.gz KSCJIGFVKPPBEF-UHFFFAOYSA-N 2 1 250.390 2.117 10 0 CEAEMP C[C@@](C[NH3+])(C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763363 525741539 /nfs/dbraw/zinc/74/15/39/525741539.db2.gz ZZJMUVJJAAVPMS-IAGOWNOFSA-N 2 1 276.424 2.140 10 0 CEAEMP C[C@@H](c1cccs1)[N@@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052182437 526143945 /nfs/dbraw/zinc/14/39/45/526143945.db2.gz QAYAEYDULQHLQH-LBPRGKRZSA-N 2 1 268.426 2.496 10 0 CEAEMP c1csc(C[N@H+](CCN2CCC[NH2+]CC2)C2CC2)c1 ZINC000061275367 526579207 /nfs/dbraw/zinc/57/92/07/526579207.db2.gz SYTZDOLTSWTDLE-UHFFFAOYSA-N 2 1 279.453 2.008 10 0 CEAEMP Cc1nc2ccccn2c1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554055 527179397 /nfs/dbraw/zinc/17/93/97/527179397.db2.gz ZTWXGKBIFHNWRF-LBPRGKRZSA-N 2 1 260.385 2.073 10 0 CEAEMP Cc1[nH+]cn(C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)c1C ZINC000052593707 527462687 /nfs/dbraw/zinc/46/26/87/527462687.db2.gz ABWAYMIONNMXBR-KGLIPLIRSA-N 2 1 251.374 2.046 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757146219 574510396 /nfs/dbraw/zinc/51/03/96/574510396.db2.gz RGVOEHIUHASSRE-RYUDHWBXSA-N 2 1 252.402 2.412 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc4ccccc4s3)C[C@@H]12 ZINC000261670015 623427839 /nfs/dbraw/zinc/42/78/39/623427839.db2.gz ZZINYJUPGGCXQX-QJPTWQEYSA-N 2 1 273.405 2.465 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc4ccccc4s3)C[C@@H]12 ZINC000261670015 623427846 /nfs/dbraw/zinc/42/78/46/623427846.db2.gz ZZINYJUPGGCXQX-QJPTWQEYSA-N 2 1 273.405 2.465 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCCCCC[NH3+] ZINC000094440848 624146123 /nfs/dbraw/zinc/14/61/23/624146123.db2.gz KIOJIMPLWLOSNC-HUUCEWRRSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCCCC[NH3+] ZINC000094440848 624146127 /nfs/dbraw/zinc/14/61/27/624146127.db2.gz KIOJIMPLWLOSNC-HUUCEWRRSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCCCCC[NH3+] ZINC000094440848 624146129 /nfs/dbraw/zinc/14/61/29/624146129.db2.gz KIOJIMPLWLOSNC-HUUCEWRRSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000133709921 344370326 /nfs/dbraw/zinc/37/03/26/344370326.db2.gz HGXPCEQQRHAXAW-FVCCEPFGSA-N 2 1 294.361 2.464 10 0 CEAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309852726 344729813 /nfs/dbraw/zinc/72/98/13/344729813.db2.gz BFSDGMWSDDHLPB-RCCFBDPRSA-N 2 1 288.435 2.402 10 0 CEAEMP [NH3+]CC[C@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000306876180 344718377 /nfs/dbraw/zinc/71/83/77/344718377.db2.gz CPUKAPQUJJPOKK-QMMMGPOBSA-N 2 1 265.101 2.076 10 0 CEAEMP CC(C)C[C@@H](C)[N@H+](C)C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085301394 179010233 /nfs/dbraw/zinc/01/02/33/179010233.db2.gz HAAJEMOSNDNNOX-ZBFHGGJFSA-N 2 1 264.413 2.199 10 0 CEAEMP CC(C)C[C@@H](C)[N@@H+](C)C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085301394 179010234 /nfs/dbraw/zinc/01/02/34/179010234.db2.gz HAAJEMOSNDNNOX-ZBFHGGJFSA-N 2 1 264.413 2.199 10 0 CEAEMP C[C@](O)(C[NH3+])CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300962 179010294 /nfs/dbraw/zinc/01/02/94/179010294.db2.gz ZQRVLWPKSDNEFT-HUUCEWRRSA-N 2 1 254.418 2.131 10 0 CEAEMP CC[C@H](C)NC(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403758 179052958 /nfs/dbraw/zinc/05/29/58/179052958.db2.gz KOCASBNMSVJRLO-GOEBONIOSA-N 2 1 295.471 2.145 10 0 CEAEMP CC[N@H+]1CC[C@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085570482 179096545 /nfs/dbraw/zinc/09/65/45/179096545.db2.gz KSIJUMWINUJCBV-ZDUSSCGKSA-N 2 1 290.455 2.168 10 0 CEAEMP C[N@H+](CC[C@H]1CSCC[NH2+]1)Cc1cccs1 ZINC000085615404 179104036 /nfs/dbraw/zinc/10/40/36/179104036.db2.gz AVZRCYUMEXCRGW-NSHDSACASA-N 2 1 256.440 2.275 10 0 CEAEMP C[N@@H+](CC[C@H]1CSCC[NH2+]1)Cc1cccs1 ZINC000085615404 179104040 /nfs/dbraw/zinc/10/40/40/179104040.db2.gz AVZRCYUMEXCRGW-NSHDSACASA-N 2 1 256.440 2.275 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1Cc1cnn(C)c1 ZINC000085621182 179105133 /nfs/dbraw/zinc/10/51/33/179105133.db2.gz CJEOEBYTNBFCHE-CQSZACIVSA-N 2 1 276.428 2.307 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1Cc1cnn(C)c1 ZINC000085621182 179105135 /nfs/dbraw/zinc/10/51/35/179105135.db2.gz CJEOEBYTNBFCHE-CQSZACIVSA-N 2 1 276.428 2.307 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085621717 179106137 /nfs/dbraw/zinc/10/61/37/179106137.db2.gz JNAYIITYWVYDIN-HOTGVXAUSA-N 2 1 278.444 2.372 10 0 CEAEMP CCC1(CC)C[N@@H+](C[C@@H]2CCCO2)[C@@H](C)CC[NH2+]1 ZINC000085627911 179106461 /nfs/dbraw/zinc/10/64/61/179106461.db2.gz RTXSKGZHDVPDBR-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[C@@H]1CN[C@H](C)C[N@H+]1CCCC[NH+](C)C(C)C ZINC000086174337 179245614 /nfs/dbraw/zinc/24/56/14/179245614.db2.gz FCXGWJIUFHYBIB-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1CN[C@H](C)C[NH+]1CCCC[N@H+](C)C(C)C ZINC000086174337 179245616 /nfs/dbraw/zinc/24/56/16/179245616.db2.gz FCXGWJIUFHYBIB-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1CN[C@H](C)C[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086174337 179245617 /nfs/dbraw/zinc/24/56/17/179245617.db2.gz FCXGWJIUFHYBIB-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C)CN1CCCC[N@H+](C)C(C)C ZINC000086174337 179245618 /nfs/dbraw/zinc/24/56/18/179245618.db2.gz FCXGWJIUFHYBIB-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C)CN1CCCC[N@@H+](C)C(C)C ZINC000086174337 179245619 /nfs/dbraw/zinc/24/56/19/179245619.db2.gz FCXGWJIUFHYBIB-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)C1 ZINC000086222998 179250836 /nfs/dbraw/zinc/25/08/36/179250836.db2.gz DOKCNJDIGNYMKW-XYJFISCASA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259302 179257818 /nfs/dbraw/zinc/25/78/18/179257818.db2.gz CZUCADLXLOOXHZ-ULQDDVLXSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259115 179257873 /nfs/dbraw/zinc/25/78/73/179257873.db2.gz DQKNOGUFTROAKU-IAGOWNOFSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259115 179257875 /nfs/dbraw/zinc/25/78/75/179257875.db2.gz DQKNOGUFTROAKU-IAGOWNOFSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259361 179258641 /nfs/dbraw/zinc/25/86/41/179258641.db2.gz FQCVELWVUCJEQU-QLFBSQMISA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](CC)C[NH2+]1 ZINC000086260766 179260536 /nfs/dbraw/zinc/26/05/36/179260536.db2.gz RTONANLKUONBBB-OAGGEKHMSA-N 2 1 267.461 2.179 10 0 CEAEMP CCC1(CC)C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287124 179264497 /nfs/dbraw/zinc/26/44/97/179264497.db2.gz RXFYWTXRWGXGSR-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC1(CC)C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)CN1 ZINC000086259059 179256443 /nfs/dbraw/zinc/25/64/43/179256443.db2.gz QWYNEYXXWJLMDX-CQSZACIVSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC1(CC)CN(CC2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000086259059 179256445 /nfs/dbraw/zinc/25/64/45/179256445.db2.gz QWYNEYXXWJLMDX-CQSZACIVSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[C@@H]1CNC(C)(C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259028 179257255 /nfs/dbraw/zinc/25/72/55/179257255.db2.gz WNIJJWNAYOJPMA-HNNXBMFYSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293050 179265961 /nfs/dbraw/zinc/26/59/61/179265961.db2.gz YLTYUEMIEVVLMW-JKSUJKDBSA-N 2 1 267.461 2.037 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCCN[C@H](c3ccccc3)C2)CC1 ZINC000086291472 179266707 /nfs/dbraw/zinc/26/67/07/179266707.db2.gz DLNQFVHYSHCBRC-SFHVURJKSA-N 2 1 287.451 2.365 10 0 CEAEMP Cc1csc(CC[N@@H+]2CCC[NH2+][C@@H](C(C)C)C2)n1 ZINC000086296802 179267763 /nfs/dbraw/zinc/26/77/63/179267763.db2.gz PMZGGFHDMVBDHP-CYBMUJFWSA-N 2 1 267.442 2.314 10 0 CEAEMP Cc1csc(CC[N@H+]2CCC[NH2+][C@@H](C(C)C)C2)n1 ZINC000086296802 179267764 /nfs/dbraw/zinc/26/77/64/179267764.db2.gz PMZGGFHDMVBDHP-CYBMUJFWSA-N 2 1 267.442 2.314 10 0 CEAEMP CC[C@]1(C)C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086297998 179268677 /nfs/dbraw/zinc/26/86/77/179268677.db2.gz BEOIERCSOAKBBZ-OAHLLOKOSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086297998 179268679 /nfs/dbraw/zinc/26/86/79/179268679.db2.gz BEOIERCSOAKBBZ-OAHLLOKOSA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)[C@@H]1C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298021 179268923 /nfs/dbraw/zinc/26/89/23/179268923.db2.gz HWJYJCFDWULTFB-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298021 179268925 /nfs/dbraw/zinc/26/89/25/179268925.db2.gz HWJYJCFDWULTFB-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC1=[NH+]C[C@@H](C)CS1 ZINC000086633229 179314878 /nfs/dbraw/zinc/31/48/78/179314878.db2.gz HJOATUUOYDQKEJ-GFCCVEGCSA-N 2 1 257.447 2.435 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC)C[C@@H]2CCCO2)CC1 ZINC000086847764 179356516 /nfs/dbraw/zinc/35/65/16/179356516.db2.gz KKQATFJJVMQOOC-DLBZAZTESA-N 2 1 297.487 2.081 10 0 CEAEMP CCOC(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086835984 179349907 /nfs/dbraw/zinc/34/99/07/179349907.db2.gz VWUSSMCUNBKLDG-AWEZNQCLSA-N 2 1 297.443 2.071 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NCC[NH+]2CCCCCC2)CC1 ZINC000086842507 179352947 /nfs/dbraw/zinc/35/29/47/179352947.db2.gz XDVJJDFUGBUNRF-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCC(=O)N(CC)CC)CC1 ZINC000086841081 179353738 /nfs/dbraw/zinc/35/37/38/179353738.db2.gz KKQVITIYEORPTP-HNNXBMFYSA-N 2 1 283.460 2.099 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846459 179355497 /nfs/dbraw/zinc/35/54/97/179355497.db2.gz VVJMXMQNFDILDT-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846277 179355600 /nfs/dbraw/zinc/35/56/00/179355600.db2.gz RMDYACKXPMQGEK-MRXNPFEDSA-N 2 1 267.461 2.456 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846277 179355601 /nfs/dbraw/zinc/35/56/01/179355601.db2.gz RMDYACKXPMQGEK-MRXNPFEDSA-N 2 1 267.461 2.456 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846277 179355602 /nfs/dbraw/zinc/35/56/02/179355602.db2.gz RMDYACKXPMQGEK-MRXNPFEDSA-N 2 1 267.461 2.456 10 0 CEAEMP CC[N@H+]1CCC[C@@](CO)([NH2+]C2CCCCC2)CC1 ZINC000086867924 179360168 /nfs/dbraw/zinc/36/01/68/179360168.db2.gz RXUUCYSMYPITHE-OAHLLOKOSA-N 2 1 254.418 2.146 10 0 CEAEMP CCC[N@H+]1CCC[C@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868230 179360893 /nfs/dbraw/zinc/36/08/93/179360893.db2.gz IRPQZZDMTQEXCZ-HNNXBMFYSA-N 2 1 254.418 2.146 10 0 CEAEMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916924 179367614 /nfs/dbraw/zinc/36/76/14/179367614.db2.gz QZXLKVRGWVGDAR-LSDHHAIUSA-N 2 1 295.471 2.132 10 0 CEAEMP COc1ccc([C@@H]2[C@H](C[NH3+])CC[N@@H+]2C2CC2)cc1F ZINC000086994946 179376082 /nfs/dbraw/zinc/37/60/82/179376082.db2.gz POAADTGAXKWGIQ-XHDPSFHLSA-N 2 1 264.344 2.318 10 0 CEAEMP COc1ccc([C@@H]2[C@H](C[NH3+])CC[N@H+]2C2CC2)cc1F ZINC000086994946 179376084 /nfs/dbraw/zinc/37/60/84/179376084.db2.gz POAADTGAXKWGIQ-XHDPSFHLSA-N 2 1 264.344 2.318 10 0 CEAEMP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087045137 179388254 /nfs/dbraw/zinc/38/82/54/179388254.db2.gz JTTCUVWSLGWFPA-LVDPKSTMSA-N 2 1 268.445 2.248 10 0 CEAEMP C[N@@H+](CCOC(F)(F)F)Cc1ccccc1C[NH3+] ZINC000089051517 179693898 /nfs/dbraw/zinc/69/38/98/179693898.db2.gz WSSMEFFPDOWLRB-UHFFFAOYSA-N 2 1 262.275 2.114 10 0 CEAEMP CC1CCC(N(C)C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089111807 179705912 /nfs/dbraw/zinc/70/59/12/179705912.db2.gz OUPCHQFDFRZYJF-GYTBAZASSA-N 2 1 295.471 2.083 10 0 CEAEMP CC1CCC(N(C)C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089111807 179705913 /nfs/dbraw/zinc/70/59/13/179705913.db2.gz OUPCHQFDFRZYJF-GYTBAZASSA-N 2 1 295.471 2.083 10 0 CEAEMP C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400321124 233176435 /nfs/dbraw/zinc/17/64/35/233176435.db2.gz BVJDZWLWTFYRHZ-IIAWOOMASA-N 2 1 262.397 2.322 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566057 180005533 /nfs/dbraw/zinc/00/55/33/180005533.db2.gz WEQWSSBVHFYNRC-XGUBFFRZSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)C1CCCCC1 ZINC000090566021 180006049 /nfs/dbraw/zinc/00/60/49/180006049.db2.gz CKPHMEJJSNWPOZ-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP C(C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000090693899 180026146 /nfs/dbraw/zinc/02/61/46/180026146.db2.gz CWNDHUBMVZOLGA-ILXRZTDVSA-N 2 1 252.402 2.020 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090894329 180056146 /nfs/dbraw/zinc/05/61/46/180056146.db2.gz WFDQKOZXMISYJA-BYCMXARLSA-N 2 1 278.371 2.188 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897000 180056740 /nfs/dbraw/zinc/05/67/40/180056740.db2.gz PGXHDZWAWVJURA-ZFWWWQNUSA-N 2 1 262.397 2.215 10 0 CEAEMP c1[nH]c2ncccc2c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091016787 180086838 /nfs/dbraw/zinc/08/68/38/180086838.db2.gz WBIIUJCQIGDCGH-UHFFFAOYSA-N 2 1 270.380 2.279 10 0 CEAEMP c1csc(C[N@H+](CC[C@@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000091313870 180132948 /nfs/dbraw/zinc/13/29/48/180132948.db2.gz JVHSGYQQSQWYGS-CYBMUJFWSA-N 2 1 266.410 2.091 10 0 CEAEMP COc1ccc(C[N@H+](C)CC[C@@H]2CSCC[NH2+]2)cc1 ZINC000091292073 180123846 /nfs/dbraw/zinc/12/38/46/180123846.db2.gz OSXJVBOHGUSPJK-CQSZACIVSA-N 2 1 280.437 2.222 10 0 CEAEMP COc1ccc(C[N@@H+](C)CC[C@@H]2CSCC[NH2+]2)cc1 ZINC000091292073 180123847 /nfs/dbraw/zinc/12/38/47/180123847.db2.gz OSXJVBOHGUSPJK-CQSZACIVSA-N 2 1 280.437 2.222 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091449253 180157563 /nfs/dbraw/zinc/15/75/63/180157563.db2.gz FVTMTELPZSOTRA-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]CCCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091449253 180157565 /nfs/dbraw/zinc/15/75/65/180157565.db2.gz FVTMTELPZSOTRA-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@H+](CC[C@@H]([NH3+])c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489219 180168440 /nfs/dbraw/zinc/16/84/40/180168440.db2.gz GXFKBYURZGUCOK-WDIPEOLASA-N 2 1 282.815 2.433 10 0 CEAEMP C[N@@H+](CC[C@@H]([NH3+])c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489219 180168442 /nfs/dbraw/zinc/16/84/42/180168442.db2.gz GXFKBYURZGUCOK-WDIPEOLASA-N 2 1 282.815 2.433 10 0 CEAEMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000624122336 350199871 /nfs/dbraw/zinc/19/98/71/350199871.db2.gz ONUQCDANPQBGFG-LXTVHRRPSA-N 2 1 266.429 2.121 10 0 CEAEMP CCC[NH2+][C@H](Cc1cc(C)nn1C)[C@](C)(CC)[NH+](C)C ZINC000091572051 180196722 /nfs/dbraw/zinc/19/67/22/180196722.db2.gz FTWQNKQJQSYQHM-CVEARBPZSA-N 2 1 280.460 2.370 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(C)c1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607221 180204766 /nfs/dbraw/zinc/20/47/66/180204766.db2.gz AHMMOUVSAHXLAD-CVEARBPZSA-N 2 1 278.444 2.205 10 0 CEAEMP C[NH2+][C@@H](CCc1ccc2c(c1)CCO2)C(C)(C)[NH+](C)C ZINC000091528633 180180605 /nfs/dbraw/zinc/18/06/05/180180605.db2.gz JZBGWUITYNGEAD-INIZCTEOSA-N 2 1 276.424 2.482 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(OC)c(F)c1)C(C)(C)[NH+](C)C ZINC000091528573 180180929 /nfs/dbraw/zinc/18/09/29/180180929.db2.gz MSTKFIOLQRVBDG-CQSZACIVSA-N 2 1 268.376 2.305 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(C)nn1CC)C(C)(C)[NH+](C)C ZINC000091529097 180180967 /nfs/dbraw/zinc/18/09/67/180180967.db2.gz AUYITCUANRZQKD-CQSZACIVSA-N 2 1 266.433 2.072 10 0 CEAEMP CC[NH2+][C@H](Cc1cccnc1N)C1([NH+](C)C)CCCC1 ZINC000091638018 180212261 /nfs/dbraw/zinc/21/22/61/180212261.db2.gz ZPGACDVNORCITH-CQSZACIVSA-N 2 1 276.428 2.059 10 0 CEAEMP [NH3+][C@@H](Cc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640511 180213396 /nfs/dbraw/zinc/21/33/96/180213396.db2.gz BQCZEAQVQZLEQX-HNNXBMFYSA-N 2 1 259.397 2.360 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720174 180236024 /nfs/dbraw/zinc/23/60/24/180236024.db2.gz KMLFCJWRNVPJEJ-KBMXLJTQSA-N 2 1 260.381 2.166 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720174 180236026 /nfs/dbraw/zinc/23/60/26/180236026.db2.gz KMLFCJWRNVPJEJ-KBMXLJTQSA-N 2 1 260.381 2.166 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721759 180238776 /nfs/dbraw/zinc/23/87/76/180238776.db2.gz PYHHFSUVARBOGJ-BRWVUGGUSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721759 180238780 /nfs/dbraw/zinc/23/87/80/180238780.db2.gz PYHHFSUVARBOGJ-BRWVUGGUSA-N 2 1 292.398 2.210 10 0 CEAEMP CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)CC)C1CCC([NH3+])CC1 ZINC000091852439 180273167 /nfs/dbraw/zinc/27/31/67/180273167.db2.gz VLVQFWQWVLCSNZ-HESLUPGFSA-N 2 1 283.460 2.272 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC000091851600 180273218 /nfs/dbraw/zinc/27/32/18/180273218.db2.gz SCBQCYZMHRZNDQ-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC000091851600 180273220 /nfs/dbraw/zinc/27/32/20/180273220.db2.gz SCBQCYZMHRZNDQ-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC000091851600 180273222 /nfs/dbraw/zinc/27/32/22/180273222.db2.gz SCBQCYZMHRZNDQ-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCCN(C)CC1 ZINC000091851600 180273224 /nfs/dbraw/zinc/27/32/24/180273224.db2.gz SCBQCYZMHRZNDQ-HWOWSKLDSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCCN(C)CC1 ZINC000091851600 180273226 /nfs/dbraw/zinc/27/32/26/180273226.db2.gz SCBQCYZMHRZNDQ-HWOWSKLDSA-N 2 1 267.461 2.453 10 0 CEAEMP Cc1cccn2cc(C[N@H+](C)C3CCC([NH3+])CC3)nc12 ZINC000091847719 180271120 /nfs/dbraw/zinc/27/11/20/180271120.db2.gz UCHWURWLCIEBEZ-UHFFFAOYSA-N 2 1 272.396 2.344 10 0 CEAEMP CC[N@@H+](CCN1CCCCC1)C1CCC([NH3+])CC1 ZINC000091850645 180271861 /nfs/dbraw/zinc/27/18/61/180271861.db2.gz YACLCFZHVRFRSV-UHFFFAOYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+]([C@H](C)C(=O)N1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091850725 180272126 /nfs/dbraw/zinc/27/21/26/180272126.db2.gz DCUYSMTXCWYOJE-QQFBHYJXSA-N 2 1 295.471 2.369 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000091872971 180277757 /nfs/dbraw/zinc/27/77/57/180277757.db2.gz KAELYGIDARRZIW-YMAMQOFZSA-N 2 1 290.407 2.289 10 0 CEAEMP C[NH2+]C1CCC([N@H+](C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000091872715 180277772 /nfs/dbraw/zinc/27/77/72/180277772.db2.gz PBJUWUKAAMCBBI-UHFFFAOYSA-N 2 1 280.416 2.330 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000091872715 180277775 /nfs/dbraw/zinc/27/77/75/180277775.db2.gz PBJUWUKAAMCBBI-UHFFFAOYSA-N 2 1 280.416 2.330 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000091872850 180277857 /nfs/dbraw/zinc/27/78/57/180277857.db2.gz PFUSAZRMSILUIT-UHFFFAOYSA-N 2 1 289.423 2.478 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2ccc(Cl)cc2[C@H](C)[NH3+])C1 ZINC000092051307 180312787 /nfs/dbraw/zinc/31/27/87/180312787.db2.gz NVRYZSAIBLBKOQ-AAEUAGOBSA-N 2 1 298.814 2.459 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2ccc(Cl)cc2[C@H](C)[NH3+])C1 ZINC000092051307 180312788 /nfs/dbraw/zinc/31/27/88/180312788.db2.gz NVRYZSAIBLBKOQ-AAEUAGOBSA-N 2 1 298.814 2.459 10 0 CEAEMP CC[N@@H+](Cc1nc(C)ccc1O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091996221 180302281 /nfs/dbraw/zinc/30/22/81/180302281.db2.gz WZXQEFYWAWIQQC-HIFRSBDPSA-N 2 1 277.412 2.435 10 0 CEAEMP CC[NH2+]Cc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003630 180304504 /nfs/dbraw/zinc/30/45/04/180304504.db2.gz VKFWBSAHGDBMMS-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000092003630 180304505 /nfs/dbraw/zinc/30/45/05/180304505.db2.gz VKFWBSAHGDBMMS-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000092003630 180304506 /nfs/dbraw/zinc/30/45/06/180304506.db2.gz VKFWBSAHGDBMMS-MSOLQXFVSA-N 2 1 287.451 2.465 10 0 CEAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092082180 180319837 /nfs/dbraw/zinc/31/98/37/180319837.db2.gz QFKVSAGJPKTOFJ-XQQFMLRXSA-N 2 1 275.396 2.060 10 0 CEAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092304619 180360455 /nfs/dbraw/zinc/36/04/55/180360455.db2.gz BFHCMNWAXHCQMA-UMVBOHGHSA-N 2 1 272.392 2.092 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273139 180356641 /nfs/dbraw/zinc/35/66/41/180356641.db2.gz IZSROBPADCLCDZ-JSGCOSHPSA-N 2 1 262.422 2.387 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273139 180356644 /nfs/dbraw/zinc/35/66/44/180356644.db2.gz IZSROBPADCLCDZ-JSGCOSHPSA-N 2 1 262.422 2.387 10 0 CEAEMP c1ccc2c(c1)OC[C@@H]2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092299777 180358306 /nfs/dbraw/zinc/35/83/06/180358306.db2.gz UGXTXCKWZFAFGA-KBPBESRZSA-N 2 1 272.392 2.237 10 0 CEAEMP c1ccc2c(c1)OC[C@H]2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000092299778 180359003 /nfs/dbraw/zinc/35/90/03/180359003.db2.gz UGXTXCKWZFAFGA-ZIAGYGMSSA-N 2 1 272.392 2.237 10 0 CEAEMP CCCN1CC[NH+](CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000109412528 186251329 /nfs/dbraw/zinc/25/13/29/186251329.db2.gz SKZZDZIBAMKVLY-KRWDZBQOSA-N 2 1 275.440 2.494 10 0 CEAEMP CCOC(=O)c1ccoc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110650113 186310244 /nfs/dbraw/zinc/31/02/44/186310244.db2.gz UAPTWMJERHZDGY-LLVKDONJSA-N 2 1 280.368 2.016 10 0 CEAEMP [NH3+]C[C@@]1([NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000110829462 186327309 /nfs/dbraw/zinc/32/73/09/186327309.db2.gz SMOVYPBXCBVPPL-CQSZACIVSA-N 2 1 295.224 2.387 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)CC1CCCC1)[NH2+]C ZINC000110840989 186329034 /nfs/dbraw/zinc/32/90/34/186329034.db2.gz LFRNIUCJEXTWKR-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC1CCCC1)[NH2+]C ZINC000110840989 186329036 /nfs/dbraw/zinc/32/90/36/186329036.db2.gz LFRNIUCJEXTWKR-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC[N@H+]1C ZINC000110921116 186332185 /nfs/dbraw/zinc/33/21/85/186332185.db2.gz NDUJKXPUWVBHPM-GJZGRUSLSA-N 2 1 281.831 2.366 10 0 CEAEMP CCC[N@H+](C[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945970 186335553 /nfs/dbraw/zinc/33/55/53/186335553.db2.gz NTYMOQLTXPNOGP-SJORKVTESA-N 2 1 276.424 2.358 10 0 CEAEMP CCC[N@@H+](C[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945970 186335554 /nfs/dbraw/zinc/33/55/54/186335554.db2.gz NTYMOQLTXPNOGP-SJORKVTESA-N 2 1 276.424 2.358 10 0 CEAEMP CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000110943667 186335592 /nfs/dbraw/zinc/33/55/92/186335592.db2.gz SDQZRWNMRIFOGQ-ZDUSSCGKSA-N 2 1 293.386 2.228 10 0 CEAEMP CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000110943667 186335594 /nfs/dbraw/zinc/33/55/94/186335594.db2.gz SDQZRWNMRIFOGQ-ZDUSSCGKSA-N 2 1 293.386 2.228 10 0 CEAEMP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704953 186313587 /nfs/dbraw/zinc/31/35/87/186313587.db2.gz GDNGTGDCOLBCII-CHWSQXEVSA-N 2 1 281.469 2.471 10 0 CEAEMP CCOc1ccccc1[C@@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716449 186315310 /nfs/dbraw/zinc/31/53/10/186315310.db2.gz REMGBJPFRISDOZ-HNNXBMFYSA-N 2 1 291.439 2.111 10 0 CEAEMP CCOc1ccccc1[C@@H]([NH3+])CN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000110714382 186315337 /nfs/dbraw/zinc/31/53/37/186315337.db2.gz DKCSYDBGRLTVLK-HOCLYGCPSA-N 2 1 291.439 2.111 10 0 CEAEMP CCCCCC[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110712110 186315676 /nfs/dbraw/zinc/31/56/76/186315676.db2.gz ZQAGQVNBOOLQBW-AWEZNQCLSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000110708768 186316646 /nfs/dbraw/zinc/31/66/46/186316646.db2.gz DJXCGGKPLDWBFX-ZOBUZTSGSA-N 2 1 275.440 2.143 10 0 CEAEMP C[C@H]1C[N@@H+](CCCCC[NH2+]C(C)(C)C)CCN1C ZINC000110751253 186319830 /nfs/dbraw/zinc/31/98/30/186319830.db2.gz SLROMWUPFONACD-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]Cc1cccc(CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110754976 186319850 /nfs/dbraw/zinc/31/98/50/186319850.db2.gz QEYVNLAEBAEFQZ-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC000110754976 186319851 /nfs/dbraw/zinc/31/98/51/186319851.db2.gz QEYVNLAEBAEFQZ-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC000110754976 186319852 /nfs/dbraw/zinc/31/98/52/186319852.db2.gz QEYVNLAEBAEFQZ-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[C@@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@H+]1C ZINC000110754523 186320744 /nfs/dbraw/zinc/32/07/44/186320744.db2.gz WIVVWPPNKSPBKP-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110754523 186320746 /nfs/dbraw/zinc/32/07/46/186320746.db2.gz WIVVWPPNKSPBKP-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110754523 186320748 /nfs/dbraw/zinc/32/07/48/186320748.db2.gz WIVVWPPNKSPBKP-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755143 186321569 /nfs/dbraw/zinc/32/15/69/186321569.db2.gz GSYFDBFHHSMZNI-OAHLLOKOSA-N 2 1 269.477 2.283 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000110751203 186322001 /nfs/dbraw/zinc/32/20/01/186322001.db2.gz NILXANZGXONNDU-ZDUSSCGKSA-N 2 1 287.407 2.288 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000110751203 186322002 /nfs/dbraw/zinc/32/20/02/186322002.db2.gz NILXANZGXONNDU-ZDUSSCGKSA-N 2 1 287.407 2.288 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000110751203 186322003 /nfs/dbraw/zinc/32/20/03/186322003.db2.gz NILXANZGXONNDU-ZDUSSCGKSA-N 2 1 287.407 2.288 10 0 CEAEMP CCOCC[N@H+](CC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000111118974 186355309 /nfs/dbraw/zinc/35/53/09/186355309.db2.gz QZPKIQGFYOLZAJ-QLFBSQMISA-N 2 1 256.434 2.497 10 0 CEAEMP CCOCC[N@@H+](CC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000111118974 186355311 /nfs/dbraw/zinc/35/53/11/186355311.db2.gz QZPKIQGFYOLZAJ-QLFBSQMISA-N 2 1 256.434 2.497 10 0 CEAEMP CCC[NH2+]Cc1cccc(OCC[N@H+](C)CCN(C)C)c1 ZINC000111149590 186358292 /nfs/dbraw/zinc/35/82/92/186358292.db2.gz UPGPQKIGIHYUKA-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CCC[NH2+]Cc1cccc(OCC[N@@H+](C)CCN(C)C)c1 ZINC000111149590 186358293 /nfs/dbraw/zinc/35/82/93/186358293.db2.gz UPGPQKIGIHYUKA-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CC[NH2+]C[C@@](C)(CC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171833 186365528 /nfs/dbraw/zinc/36/55/28/186365528.db2.gz BPLFTLKUINCFSD-LSDHHAIUSA-N 2 1 256.434 2.371 10 0 CEAEMP C[C@H](C[NH2+]C1CCCC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111176389 186365585 /nfs/dbraw/zinc/36/55/85/186365585.db2.gz WQDNFGAAMDFUAC-KGLIPLIRSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@H](C[NH2+]C1CCCC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111176389 186365587 /nfs/dbraw/zinc/36/55/87/186365587.db2.gz WQDNFGAAMDFUAC-KGLIPLIRSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccsc2)CCCOC1 ZINC000111325233 186399267 /nfs/dbraw/zinc/39/92/67/186399267.db2.gz NYDHCQVHXDFCSQ-AWEZNQCLSA-N 2 1 268.426 2.196 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccsc2)CCCOC1 ZINC000111325233 186399269 /nfs/dbraw/zinc/39/92/69/186399269.db2.gz NYDHCQVHXDFCSQ-AWEZNQCLSA-N 2 1 268.426 2.196 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000111328937 186399642 /nfs/dbraw/zinc/39/96/42/186399642.db2.gz JNXVOMHDJYNLSD-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP C[N@H+](Cc1ccccc1F)C[C@@]1(C[NH3+])CCCOC1 ZINC000111327660 186399877 /nfs/dbraw/zinc/39/98/77/186399877.db2.gz IGQZYORIJVRJFX-HNNXBMFYSA-N 2 1 266.360 2.013 10 0 CEAEMP C[N@@H+](Cc1ccccc1F)C[C@@]1(C[NH3+])CCCOC1 ZINC000111327660 186399878 /nfs/dbraw/zinc/39/98/78/186399878.db2.gz IGQZYORIJVRJFX-HNNXBMFYSA-N 2 1 266.360 2.013 10 0 CEAEMP C[C@@H]([NH3+])CC[NH2+]Cc1sccc1Br ZINC000087575914 363860934 /nfs/dbraw/zinc/86/09/34/363860934.db2.gz OFNNJOAMMCRWQQ-SSDOTTSWSA-N 2 1 263.204 2.338 10 0 CEAEMP C[C@@H]1CCCN(c2cc[nH+]cc2Br)[C@@H]1C[NH3+] ZINC000159906386 366957986 /nfs/dbraw/zinc/95/79/86/366957986.db2.gz UQRGNOCUEZNRJZ-BXKDBHETSA-N 2 1 284.201 2.408 10 0 CEAEMP C[C@@H]1CN(c2cc[nH+]cc2Br)[C@H](C)C[NH2+]1 ZINC000163720914 367261927 /nfs/dbraw/zinc/26/19/27/367261927.db2.gz KUONELCCUBNFJO-RKDXNWHRSA-N 2 1 270.174 2.031 10 0 CEAEMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631838521 367579222 /nfs/dbraw/zinc/57/92/22/367579222.db2.gz PTIOMTIZLHDJPX-RYUDHWBXSA-N 2 1 295.814 2.195 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C[NH3+] ZINC000631841974 367583309 /nfs/dbraw/zinc/58/33/09/367583309.db2.gz SOZPYQQFFOWTKN-ONGXEEELSA-N 2 1 282.771 2.095 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C[NH3+] ZINC000631841974 367583312 /nfs/dbraw/zinc/58/33/12/367583312.db2.gz SOZPYQQFFOWTKN-ONGXEEELSA-N 2 1 282.771 2.095 10 0 CEAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC(F)(F)CC1 ZINC000682731743 541707286 /nfs/dbraw/zinc/70/72/86/541707286.db2.gz ALSLTJRJDAPBMA-GFCCVEGCSA-N 2 1 290.398 2.247 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000634999116 369032062 /nfs/dbraw/zinc/03/20/62/369032062.db2.gz QFWNDAFDNRUHHV-JSGCOSHPSA-N 2 1 255.365 2.261 10 0 CEAEMP Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)oc1C ZINC000261623563 371681431 /nfs/dbraw/zinc/68/14/31/371681431.db2.gz DEEIVNBPGHJRLW-CVEARBPZSA-N 2 1 285.391 2.466 10 0 CEAEMP Cc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)oc1C ZINC000261623563 371681438 /nfs/dbraw/zinc/68/14/38/371681438.db2.gz DEEIVNBPGHJRLW-CVEARBPZSA-N 2 1 285.391 2.466 10 0 CEAEMP Cc1cccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261637085 371686163 /nfs/dbraw/zinc/68/61/63/371686163.db2.gz WPGWRDRIHJCUAG-IMJJTQAJSA-N 2 1 260.381 2.043 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000261844835 371748198 /nfs/dbraw/zinc/74/81/98/371748198.db2.gz WBETWCVKQSJNIF-MRVWCRGKSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000261850884 371750371 /nfs/dbraw/zinc/75/03/71/371750371.db2.gz VIFXXXVEDZYBRH-MSOLQXFVSA-N 2 1 281.403 2.298 10 0 CEAEMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000261874574 371756162 /nfs/dbraw/zinc/75/61/62/371756162.db2.gz DODBKRHGPSAUGD-RRFJBIMHSA-N 2 1 266.429 2.313 10 0 CEAEMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000262043100 371808918 /nfs/dbraw/zinc/80/89/18/371808918.db2.gz YPTFEGFGEMUAQW-ARFHVFGLSA-N 2 1 288.439 2.095 10 0 CEAEMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1C[NH2+]C1 ZINC000643480610 373147860 /nfs/dbraw/zinc/14/78/60/373147860.db2.gz GPQVXKXYHCEWMV-IAAVTCLWSA-N 2 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1C[NH2+]C1 ZINC000643480610 373147867 /nfs/dbraw/zinc/14/78/67/373147867.db2.gz GPQVXKXYHCEWMV-IAAVTCLWSA-N 3 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1C[NH2+]C1 ZINC000643480610 373147874 /nfs/dbraw/zinc/14/78/74/373147874.db2.gz GPQVXKXYHCEWMV-IAAVTCLWSA-N 3 1 299.462 2.095 10 0 CEAEMP C[C@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000377111044 374793280 /nfs/dbraw/zinc/79/32/80/374793280.db2.gz GLYMCFHUNBOISW-VISVQNLJSA-N 2 1 266.429 2.405 10 0 CEAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC2CCC1CC2 ZINC000399011473 375355023 /nfs/dbraw/zinc/35/50/23/375355023.db2.gz BIKDPAYSRHGZBS-VXTDNTOSSA-N 2 1 280.456 2.248 10 0 CEAEMP C[C@H]1[C@H](N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000307209520 376560869 /nfs/dbraw/zinc/56/08/69/376560869.db2.gz KGLKETYHLXVLFU-MXSMSXNCSA-N 2 1 287.451 2.319 10 0 CEAEMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000228485486 285317410 /nfs/dbraw/zinc/31/74/10/285317410.db2.gz KCTRRGUONCPMFW-OWCLPIDISA-N 2 1 266.429 2.098 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094459280 184804569 /nfs/dbraw/zinc/80/45/69/184804569.db2.gz TWAXCEGCAAWCPG-JONQDZQNSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[C@H](C)n1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 ZINC000094072192 184754158 /nfs/dbraw/zinc/75/41/58/184754158.db2.gz IOTYMXVTQHYTRS-AWEZNQCLSA-N 2 1 294.443 2.184 10 0 CEAEMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000192446044 533280469 /nfs/dbraw/zinc/28/04/69/533280469.db2.gz JRNUEKXPCPJNTC-UYSNPLJNSA-N 2 1 296.455 2.428 10 0 CEAEMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000192446044 533280471 /nfs/dbraw/zinc/28/04/71/533280471.db2.gz JRNUEKXPCPJNTC-UYSNPLJNSA-N 2 1 296.455 2.428 10 0 CEAEMP C[N@H+]1CCC[C@@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086819232 135048365 /nfs/dbraw/zinc/04/83/65/135048365.db2.gz YCRIONBOVCRCRS-QGZVFWFLSA-N 2 1 273.424 2.252 10 0 CEAEMP C[NH+](C)[C@@H]1CCCN(c2ccc(N)c3c[nH+]ccc32)C1 ZINC000091392819 135068232 /nfs/dbraw/zinc/06/82/32/135068232.db2.gz OFXMOGDMZNIPIP-GFCCVEGCSA-N 2 1 270.380 2.347 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H]3C)CC2)c1C ZINC000092957718 135077696 /nfs/dbraw/zinc/07/76/96/135077696.db2.gz TYMHCPRIEAWBAK-IRXDYDNUSA-N 2 1 287.451 2.423 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093068324 135079186 /nfs/dbraw/zinc/07/91/86/135079186.db2.gz LCVDUGBUOAOYIC-HUUCEWRRSA-N 2 1 261.413 2.053 10 0 CEAEMP c1cc(N2CC[N@H+]3CCCC[C@@H]3C2)cc(C[NH2+]C2CC2)n1 ZINC000094443200 135088505 /nfs/dbraw/zinc/08/85/05/135088505.db2.gz UGNICELTUQMBKI-QGZVFWFLSA-N 2 1 286.423 2.008 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000245751203 394504626 /nfs/dbraw/zinc/50/46/26/394504626.db2.gz NVCCLYYLUQENGQ-HZPDHXFCSA-N 2 1 280.456 2.367 10 0 CEAEMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)on1 ZINC000262104058 394613185 /nfs/dbraw/zinc/61/31/85/394613185.db2.gz JHQVOFKICQFPEK-ZBFHGGJFSA-N 2 1 271.364 2.157 10 0 CEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024289 394883931 /nfs/dbraw/zinc/88/39/31/394883931.db2.gz JBJOXNXGNLIFEB-QTXGHNMQSA-N 2 1 287.451 2.380 10 0 CEAEMP C[C@@H](CN(C)Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024289 394883935 /nfs/dbraw/zinc/88/39/35/394883935.db2.gz JBJOXNXGNLIFEB-QTXGHNMQSA-N 2 1 287.451 2.380 10 0 CEAEMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCCC1 ZINC000131987026 394922736 /nfs/dbraw/zinc/92/27/36/394922736.db2.gz HZESFXSEIYGUHH-MJBXVCDLSA-N 2 1 266.429 2.264 10 0 CEAEMP CCC(CC)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000153881548 395019355 /nfs/dbraw/zinc/01/93/55/395019355.db2.gz CKSLXPGOBJOGMO-AWEZNQCLSA-N 2 1 270.461 2.447 10 0 CEAEMP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCCC1 ZINC000398952756 400563202 /nfs/dbraw/zinc/56/32/02/400563202.db2.gz CXFUZIVRGJKPEO-OAHLLOKOSA-N 2 1 254.418 2.002 10 0 CEAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCOC2)cc1 ZINC000399636570 400565026 /nfs/dbraw/zinc/56/50/26/400565026.db2.gz WYPIWFOSRVRTLT-HRBLRVMOSA-N 2 1 286.419 2.133 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCOC2)cc1 ZINC000399636570 400565031 /nfs/dbraw/zinc/56/50/31/400565031.db2.gz WYPIWFOSRVRTLT-HRBLRVMOSA-N 2 1 286.419 2.133 10 0 CEAEMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022155010 171362009 /nfs/dbraw/zinc/36/20/09/171362009.db2.gz JVEOCAVKCFKMOW-ZDUSSCGKSA-N 2 1 275.396 2.206 10 0 CEAEMP CC(C)C[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221706 173041615 /nfs/dbraw/zinc/04/16/15/173041615.db2.gz XAWYRTURERWXRS-ARFHVFGLSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000037221706 173041618 /nfs/dbraw/zinc/04/16/18/173041618.db2.gz XAWYRTURERWXRS-ARFHVFGLSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000037221706 173041621 /nfs/dbraw/zinc/04/16/21/173041621.db2.gz XAWYRTURERWXRS-ARFHVFGLSA-N 2 1 269.477 2.283 10 0 CEAEMP [NH3+]C1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000037325912 173126407 /nfs/dbraw/zinc/12/64/07/173126407.db2.gz HBPHSUKGFDWWGT-KRWDZBQOSA-N 2 1 273.424 2.074 10 0 CEAEMP C[C@H](N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043299 174049751 /nfs/dbraw/zinc/04/97/51/174049751.db2.gz WYCLNBRGASUDRP-ZFWWWQNUSA-N 2 1 295.471 2.096 10 0 CEAEMP C[C@H](N(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043299 174049752 /nfs/dbraw/zinc/04/97/52/174049752.db2.gz WYCLNBRGASUDRP-ZFWWWQNUSA-N 2 1 295.471 2.096 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040622551 174355866 /nfs/dbraw/zinc/35/58/66/174355866.db2.gz IBKRBCNHYOZGPP-GJZGRUSLSA-N 3 1 267.461 2.037 10 0 CEAEMP CCOC1CC[NH+](CCc2[nH]c3ccc(N)cc3[nH+]2)CC1 ZINC000040678423 174374870 /nfs/dbraw/zinc/37/48/70/174374870.db2.gz LPUGIUFAGKJXHC-UHFFFAOYSA-N 2 1 288.395 2.189 10 0 CEAEMP C[C@@H]1CC[N@@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040717012 174384696 /nfs/dbraw/zinc/38/46/96/174384696.db2.gz AWZRXPBFHNFWSJ-CYBMUJFWSA-N 2 1 275.396 2.206 10 0 CEAEMP COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1OC ZINC000040749348 174394101 /nfs/dbraw/zinc/39/41/01/174394101.db2.gz OLLLFABTBOXTDK-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1OC ZINC000040749348 174394102 /nfs/dbraw/zinc/39/41/02/174394102.db2.gz OLLLFABTBOXTDK-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP OCC[NH+]1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657352023 414875228 /nfs/dbraw/zinc/87/52/28/414875228.db2.gz QBEDLJSKXCCLML-UHFFFAOYSA-N 2 1 280.456 2.392 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043901830 175122135 /nfs/dbraw/zinc/12/21/35/175122135.db2.gz LESLVFHJMCGILG-CVEARBPZSA-N 2 1 261.413 2.477 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901830 175122137 /nfs/dbraw/zinc/12/21/37/175122137.db2.gz LESLVFHJMCGILG-CVEARBPZSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966877 175127991 /nfs/dbraw/zinc/12/79/91/175127991.db2.gz UXDLSLZEOABBGR-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966877 175127992 /nfs/dbraw/zinc/12/79/92/175127992.db2.gz UXDLSLZEOABBGR-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000045072520 175302219 /nfs/dbraw/zinc/30/22/19/175302219.db2.gz VEVCXTLGVNRXGK-LSDHHAIUSA-N 2 1 283.460 2.003 10 0 CEAEMP CCC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135378 175313042 /nfs/dbraw/zinc/31/30/42/175313042.db2.gz QGPIGGJCLXBGMQ-YESZJQIVSA-N 2 1 281.488 2.427 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000045167180 175319344 /nfs/dbraw/zinc/31/93/44/175319344.db2.gz TYBNEIWEBNJZJY-LLVKDONJSA-N 2 1 266.433 2.275 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376098 175366227 /nfs/dbraw/zinc/36/62/27/175366227.db2.gz OFXWXHQZFFCSRX-HOCLYGCPSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045381015 175370096 /nfs/dbraw/zinc/37/00/96/175370096.db2.gz TXTQWVXUVDIXQS-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OC ZINC000045381015 175370097 /nfs/dbraw/zinc/37/00/97/175370097.db2.gz TXTQWVXUVDIXQS-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045383637 175371173 /nfs/dbraw/zinc/37/11/73/175371173.db2.gz OSPJDEPKOIXETK-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045383637 175371175 /nfs/dbraw/zinc/37/11/75/175371175.db2.gz OSPJDEPKOIXETK-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP C[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045384754 175372150 /nfs/dbraw/zinc/37/21/50/175372150.db2.gz NIQTXPJRSNADGU-MRXNPFEDSA-N 2 1 281.444 2.027 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045386965 175372594 /nfs/dbraw/zinc/37/25/94/175372594.db2.gz FKMQOKQLQIXMBT-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045392909 175375353 /nfs/dbraw/zinc/37/53/53/175375353.db2.gz MXUHGVSZWVHJDI-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000045420981 175379890 /nfs/dbraw/zinc/37/98/90/175379890.db2.gz YWSIZUZCZRPKFG-WFASDCNBSA-N 2 1 272.433 2.414 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421033 175380325 /nfs/dbraw/zinc/38/03/25/175380325.db2.gz IXFCDXPGYPBKRC-BBRMVZONSA-N 2 1 285.476 2.377 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123777 176034894 /nfs/dbraw/zinc/03/48/94/176034894.db2.gz KRIPWZWFVRIPQK-QLFBSQMISA-N 2 1 254.418 2.395 10 0 CEAEMP CC(C)CC[C@](C)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188551 176063177 /nfs/dbraw/zinc/06/31/77/176063177.db2.gz SJGLPAXJFNEULY-HUUCEWRRSA-N 2 1 255.450 2.024 10 0 CEAEMP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191354 176070313 /nfs/dbraw/zinc/07/03/13/176070313.db2.gz PBDHWKAKUKZPRA-WBVHZDCISA-N 2 1 275.440 2.221 10 0 CEAEMP Cc1ccccc1NCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192360 176073377 /nfs/dbraw/zinc/07/33/77/176073377.db2.gz WMAQCDQDBCDAGL-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccccc1NCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192360 176073379 /nfs/dbraw/zinc/07/33/79/176073379.db2.gz WMAQCDQDBCDAGL-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccccc1NCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192360 176073381 /nfs/dbraw/zinc/07/33/81/176073381.db2.gz WMAQCDQDBCDAGL-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000071212670 176084177 /nfs/dbraw/zinc/08/41/77/176084177.db2.gz FDKWPOUUMXYZEK-JQWIXIFHSA-N 2 1 253.415 2.271 10 0 CEAEMP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000071212670 176084178 /nfs/dbraw/zinc/08/41/78/176084178.db2.gz FDKWPOUUMXYZEK-JQWIXIFHSA-N 2 1 253.415 2.271 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1ccc2ncccc2c1 ZINC000071229188 176091216 /nfs/dbraw/zinc/09/12/16/176091216.db2.gz ALJUBPRJNCJTDR-UHFFFAOYSA-N 2 1 286.379 2.009 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccc2ncccc2c1 ZINC000071229188 176091217 /nfs/dbraw/zinc/09/12/17/176091217.db2.gz ALJUBPRJNCJTDR-UHFFFAOYSA-N 2 1 286.379 2.009 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268596 176102301 /nfs/dbraw/zinc/10/23/01/176102301.db2.gz IBKNHTYMVMZUOD-CYBMUJFWSA-N 2 1 261.344 2.451 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)C1CCN(C)CC1 ZINC000071287363 176110042 /nfs/dbraw/zinc/11/00/42/176110042.db2.gz NUKAEBMLVXBWEK-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000071287363 176110044 /nfs/dbraw/zinc/11/00/44/176110044.db2.gz NUKAEBMLVXBWEK-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000071287363 176110045 /nfs/dbraw/zinc/11/00/45/176110045.db2.gz NUKAEBMLVXBWEK-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000071355742 176136772 /nfs/dbraw/zinc/13/67/72/176136772.db2.gz QSHALNGHVUVYJZ-HIFRSBDPSA-N 2 1 278.444 2.290 10 0 CEAEMP CCC[NH2+]C[C@@H]1CCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071377491 176143109 /nfs/dbraw/zinc/14/31/09/176143109.db2.gz UIRCITWPDQLHTE-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@@H+](C)C1CCCC1 ZINC000071379322 176143722 /nfs/dbraw/zinc/14/37/22/176143722.db2.gz UOPKTPCVGLOKAB-VHRNVKJDSA-N 2 1 265.445 2.076 10 0 CEAEMP COCC[N@@H+](CCC[C@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000071401923 176153942 /nfs/dbraw/zinc/15/39/42/176153942.db2.gz SSAZUEUGTIZMEJ-RDJZCZTQSA-N 2 1 294.439 2.450 10 0 CEAEMP Cc1nc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)sc1C ZINC000072150557 176326390 /nfs/dbraw/zinc/32/63/90/176326390.db2.gz VLRCIJAKBMEGMI-OAHLLOKOSA-N 2 1 297.468 2.039 10 0 CEAEMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859028 260220211 /nfs/dbraw/zinc/22/02/11/260220211.db2.gz PDGCXWOUPDNNON-SJLPKXTDSA-N 2 1 289.467 2.486 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859028 260220213 /nfs/dbraw/zinc/22/02/13/260220213.db2.gz PDGCXWOUPDNNON-SJLPKXTDSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859028 260220215 /nfs/dbraw/zinc/22/02/15/260220215.db2.gz PDGCXWOUPDNNON-SJLPKXTDSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859028 260220216 /nfs/dbraw/zinc/22/02/16/260220216.db2.gz PDGCXWOUPDNNON-SJLPKXTDSA-N 2 1 289.467 2.486 10 0 CEAEMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859029 260220378 /nfs/dbraw/zinc/22/03/78/260220378.db2.gz PDGCXWOUPDNNON-WMZOPIPTSA-N 2 1 289.467 2.486 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859029 260220379 /nfs/dbraw/zinc/22/03/79/260220379.db2.gz PDGCXWOUPDNNON-WMZOPIPTSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859029 260220381 /nfs/dbraw/zinc/22/03/81/260220381.db2.gz PDGCXWOUPDNNON-WMZOPIPTSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@H]([NH2+]CCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859029 260220383 /nfs/dbraw/zinc/22/03/83/260220383.db2.gz PDGCXWOUPDNNON-WMZOPIPTSA-N 2 1 289.467 2.486 10 0 CEAEMP c1ccc2c(C[NH2+]CCC[NH+]3CCC3)ccnc2c1 ZINC000519768139 265600979 /nfs/dbraw/zinc/60/09/79/265600979.db2.gz HCRSIPVMOHVWTP-UHFFFAOYSA-N 2 1 255.365 2.420 10 0 CEAEMP CC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246218260 280094285 /nfs/dbraw/zinc/09/42/85/280094285.db2.gz LBBPPFBSUQMDCR-KGLIPLIRSA-N 2 1 256.434 2.057 10 0 CEAEMP C[C@@H]1CN(c2cc[nH+]cc2Br)[C@@H](C)C[NH2+]1 ZINC000163721018 288270840 /nfs/dbraw/zinc/27/08/40/288270840.db2.gz KUONELCCUBNFJO-BDAKNGLRSA-N 2 1 270.174 2.031 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249414488 288313943 /nfs/dbraw/zinc/31/39/43/288313943.db2.gz VUQHUMOJCYTUIX-CVEARBPZSA-N 2 1 265.445 2.031 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654638 519721093 /nfs/dbraw/zinc/72/10/93/519721093.db2.gz CHYHGOCXSKDGKO-HUUCEWRRSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763379 519719979 /nfs/dbraw/zinc/71/99/79/519719979.db2.gz UOKWBVQLTMDXIU-CQSZACIVSA-N 2 1 256.434 2.248 10 0 CEAEMP CC(C)[NH2+]Cc1ccoc1C[NH+]1CCSCC1 ZINC000052425534 519727618 /nfs/dbraw/zinc/72/76/18/519727618.db2.gz MOVQEMAQFOPDCJ-UHFFFAOYSA-N 2 1 254.399 2.326 10 0 CEAEMP CC(C)c1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000053525194 519879689 /nfs/dbraw/zinc/87/96/89/519879689.db2.gz KUBGPGJDUPMALI-STQMWFEESA-N 2 1 251.374 2.164 10 0 CEAEMP CC[NH2+]C[C@@H]1CCN(CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000053011491 519950712 /nfs/dbraw/zinc/95/07/12/519950712.db2.gz FJVKLBFPKBOHHG-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH2+]Cc1sc(N2CC[NH+](CC)CC2)nc1CC ZINC000054994834 519975672 /nfs/dbraw/zinc/97/56/72/519975672.db2.gz JOVQMXLGIQLZNX-UHFFFAOYSA-N 2 1 296.484 2.347 10 0 CEAEMP CC[NH2+]Cc1cc(C[NH+]2CCSCC2)c(C)o1 ZINC000052443301 519989580 /nfs/dbraw/zinc/98/95/80/519989580.db2.gz BODRUZVMRMMGKC-UHFFFAOYSA-N 2 1 254.399 2.246 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@H+]2CCCSCC2)c1 ZINC000052371105 520019122 /nfs/dbraw/zinc/01/91/22/520019122.db2.gz OKXZRFJXLFKXCL-UHFFFAOYSA-N 2 1 254.399 2.328 10 0 CEAEMP CC[NH2+]Cc1sc(N2CC[NH+](C)CC2)nc1C(C)(C)C ZINC000054995370 520032776 /nfs/dbraw/zinc/03/27/76/520032776.db2.gz LJSUMKXIQDBWSZ-UHFFFAOYSA-N 2 1 296.484 2.302 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617311 520114022 /nfs/dbraw/zinc/11/40/22/520114022.db2.gz WZSOGJGWQCKFLR-GOEBONIOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1cccc(F)c1 ZINC000062740790 520516256 /nfs/dbraw/zinc/51/62/56/520516256.db2.gz WILKPMCBCGOLMK-AWEZNQCLSA-N 2 1 254.349 2.011 10 0 CEAEMP CC[N@@H+](Cc1cc(C)ccc1OC)C[C@@H](C)C(N)=[NH2+] ZINC000050704450 521288979 /nfs/dbraw/zinc/28/89/79/521288979.db2.gz RYTLHPFKMRCFNV-GFCCVEGCSA-N 2 1 263.385 2.398 10 0 CEAEMP CC[N@H+](Cc1cc(C)ccc1OC)C[C@@H](C)C(N)=[NH2+] ZINC000050704450 521288987 /nfs/dbraw/zinc/28/89/87/521288987.db2.gz RYTLHPFKMRCFNV-GFCCVEGCSA-N 2 1 263.385 2.398 10 0 CEAEMP CC[NH+]1CCC(C[NH2+]CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000052206130 521551413 /nfs/dbraw/zinc/55/14/13/521551413.db2.gz REAILHNZAGDYNI-MRXNPFEDSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[N@@H+](CCN(C)C)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000053875617 521657037 /nfs/dbraw/zinc/65/70/37/521657037.db2.gz VIRBHKZZUMPMSC-HOTGVXAUSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[C@@H](C)C[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052454185 521971421 /nfs/dbraw/zinc/97/14/21/521971421.db2.gz ZNCMSTKYJJGJIM-CYBMUJFWSA-N 2 1 281.448 2.144 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](CCOC)[C@H](C)C2CC2)o1 ZINC000052545340 522118166 /nfs/dbraw/zinc/11/81/66/522118166.db2.gz PVTSQZYSKOZVKR-GFCCVEGCSA-N 2 1 266.385 2.246 10 0 CEAEMP CC(C)(C)[NH2+]CC1(C[N@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052183601 518752803 /nfs/dbraw/zinc/75/28/03/518752803.db2.gz MEZABOOBXPDZEH-HNNXBMFYSA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+](C)Cc2ccncc2)CCOCC1 ZINC000052181909 519719597 /nfs/dbraw/zinc/71/95/97/519719597.db2.gz LDVCQVXQKMYOPG-UHFFFAOYSA-N 2 1 291.439 2.308 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)Cc2ccncc2)CCOCC1 ZINC000052181909 519719600 /nfs/dbraw/zinc/71/96/00/519719600.db2.gz LDVCQVXQKMYOPG-UHFFFAOYSA-N 2 1 291.439 2.308 10 0 CEAEMP CC(C)[NH2+]Cc1cn(CC[N@@H+](C)C2CCCCCC2)nn1 ZINC000052482066 519728555 /nfs/dbraw/zinc/72/85/55/519728555.db2.gz BOMBWWYNGCXKMU-UHFFFAOYSA-N 2 1 293.459 2.431 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540109 519743196 /nfs/dbraw/zinc/74/31/96/519743196.db2.gz GLKAKDZZRSXVKD-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654659 519743343 /nfs/dbraw/zinc/74/33/43/519743343.db2.gz JYMUSLVPWKDAHA-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)CCc1ccncc1 ZINC000052483067 519745897 /nfs/dbraw/zinc/74/58/97/519745897.db2.gz ZUVQJTSZVXKFQW-HNNXBMFYSA-N 2 1 263.429 2.438 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507669 519746055 /nfs/dbraw/zinc/74/60/55/519746055.db2.gz DJFNAIBBOZQNMP-IKGGRYGDSA-N 2 1 298.471 2.281 10 0 CEAEMP CC(C)OCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062670315 519765752 /nfs/dbraw/zinc/76/57/52/519765752.db2.gz KEHUJQDTMPHTAJ-KRWDZBQOSA-N 2 1 276.424 2.318 10 0 CEAEMP CC(C)OCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062670315 519765753 /nfs/dbraw/zinc/76/57/53/519765753.db2.gz KEHUJQDTMPHTAJ-KRWDZBQOSA-N 2 1 276.424 2.318 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054602322 519910201 /nfs/dbraw/zinc/91/02/01/519910201.db2.gz JBVRJNALTXSJPD-BMRXWSCTSA-N 2 1 266.429 2.285 10 0 CEAEMP CCC[NH2+]CCCCCN1CCC([NH+](C)C)CC1 ZINC000052477753 519911914 /nfs/dbraw/zinc/91/19/14/519911914.db2.gz WGAHSYWKSIQAAK-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000055074534 519912353 /nfs/dbraw/zinc/91/23/53/519912353.db2.gz USBHYKUNSISRSQ-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055074331 519920345 /nfs/dbraw/zinc/92/03/45/519920345.db2.gz UVTPABQZARKEDQ-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419164 519955123 /nfs/dbraw/zinc/95/51/23/519955123.db2.gz LTSVUODGFRJQGT-DLBZAZTESA-N 2 1 274.408 2.202 10 0 CEAEMP CC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000052542236 519970556 /nfs/dbraw/zinc/97/05/56/519970556.db2.gz MCZLPYLNOBHXIN-ZDUSSCGKSA-N 2 1 250.386 2.373 10 0 CEAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1OC ZINC000052542236 519970562 /nfs/dbraw/zinc/97/05/62/519970562.db2.gz MCZLPYLNOBHXIN-ZDUSSCGKSA-N 2 1 250.386 2.373 10 0 CEAEMP CC[NH2+]Cc1oc(C[N@@H+](CC)CCOC)cc1C ZINC000052542836 520028407 /nfs/dbraw/zinc/02/84/07/520028407.db2.gz ZUJKDBYZWFDPPP-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP CC[NH2+][C@@H](COc1ccccc1)c1c[nH+]ccc1N ZINC000070321140 520102204 /nfs/dbraw/zinc/10/22/04/520102204.db2.gz GGJLKTBOWGRGSG-HNNXBMFYSA-N 2 1 257.337 2.393 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](CC)C1CCCC1)C(N)=O ZINC000068624553 520115216 /nfs/dbraw/zinc/11/52/16/520115216.db2.gz RXYYVUZMNDMGHK-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](CC)C1CCCC1)C(N)=O ZINC000068624553 520115226 /nfs/dbraw/zinc/11/52/26/520115226.db2.gz RXYYVUZMNDMGHK-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)CC1CCCCC1)C(N)=O ZINC000068638357 520142930 /nfs/dbraw/zinc/14/29/30/520142930.db2.gz HRBHQGHYJGXIBA-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000068638357 520142939 /nfs/dbraw/zinc/14/29/39/520142939.db2.gz HRBHQGHYJGXIBA-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCCC[N@@H+](CCN1CCC[NH2+]CC1)C(C)C ZINC000061275514 520167254 /nfs/dbraw/zinc/16/72/54/520167254.db2.gz GJYRQWBYWXSFIK-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000062740908 520516835 /nfs/dbraw/zinc/51/68/35/520516835.db2.gz LVUBDVOZTPOBOI-INIZCTEOSA-N 2 1 262.397 2.405 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953650 520526297 /nfs/dbraw/zinc/52/62/97/520526297.db2.gz CFSJDDGBUWQNDE-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CCCC[N@@H+](CCn1cc(C[NH2+]CC)nn1)[C@H](C)CC ZINC000052372710 520540371 /nfs/dbraw/zinc/54/03/71/520540371.db2.gz XBURUOCFSMQMHF-CQSZACIVSA-N 2 1 281.448 2.288 10 0 CEAEMP CC1CCC([N@@H+](C)CC2(C[NH3+])CCOCC2)CC1 ZINC000052197775 520935449 /nfs/dbraw/zinc/93/54/49/520935449.db2.gz POXBTUPUGPAUIO-UHFFFAOYSA-N 2 1 254.418 2.252 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](CC)CC1CC1 ZINC000069239634 521324974 /nfs/dbraw/zinc/32/49/74/521324974.db2.gz PLKIWAKNMPXSJD-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000051212620 521440477 /nfs/dbraw/zinc/44/04/77/521440477.db2.gz MGOLPLMRMALSMS-UHFFFAOYSA-N 2 1 290.455 2.229 10 0 CEAEMP CCC(CC)C[N@@H+](CC)CCN1CCC[NH2+]CC1 ZINC000061275326 521519550 /nfs/dbraw/zinc/51/95/50/521519550.db2.gz SLOIOSWOOWQKMO-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CCC[N@H+](CCN(C)C)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000053875617 521657034 /nfs/dbraw/zinc/65/70/34/521657034.db2.gz VIRBHKZZUMPMSC-HOTGVXAUSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[N@@H+](CCOc1ccccc1C[NH2+]C)CCN(C)C ZINC000052544202 521669198 /nfs/dbraw/zinc/66/91/98/521669198.db2.gz GSVQCRBIBROEIW-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CCCN(CCOc1ccccc1C[NH2+]C)CC[NH+](C)C ZINC000052544202 521669199 /nfs/dbraw/zinc/66/91/99/521669199.db2.gz GSVQCRBIBROEIW-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CCCN(c1cc[nH+]c(N(C)C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068690139 521697940 /nfs/dbraw/zinc/69/79/40/521697940.db2.gz YTOIFFKVMDALRW-PBWFPOADSA-N 2 1 289.427 2.042 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C)n1 ZINC000054602183 521954101 /nfs/dbraw/zinc/95/41/01/521954101.db2.gz XKQJLJDGEXNDQP-MQVJKMGUSA-N 2 1 259.397 2.495 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C)n1 ZINC000054602183 521954106 /nfs/dbraw/zinc/95/41/06/521954106.db2.gz XKQJLJDGEXNDQP-MQVJKMGUSA-N 2 1 259.397 2.495 10 0 CEAEMP C[NH2+]CC1(C[N@H+](Cc2ccco2)C2CC2)CCOCC1 ZINC000052197940 521970580 /nfs/dbraw/zinc/97/05/80/521970580.db2.gz NVVGYUOUKXGCBX-UHFFFAOYSA-N 2 1 278.396 2.260 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](Cc2ccco2)C2CC2)CCOCC1 ZINC000052197940 521970589 /nfs/dbraw/zinc/97/05/89/521970589.db2.gz NVVGYUOUKXGCBX-UHFFFAOYSA-N 2 1 278.396 2.260 10 0 CEAEMP C[NH2+]C[C@H](C)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376259 522071013 /nfs/dbraw/zinc/07/10/13/522071013.db2.gz AYRPUYVDTKMRTG-AWEZNQCLSA-N 2 1 275.440 2.281 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382622 522100479 /nfs/dbraw/zinc/10/04/79/522100479.db2.gz REJQSMFEVADAKX-GFCCVEGCSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382622 522100486 /nfs/dbraw/zinc/10/04/86/522100486.db2.gz REJQSMFEVADAKX-GFCCVEGCSA-N 2 1 274.364 2.373 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000055083578 522119428 /nfs/dbraw/zinc/11/94/28/522119428.db2.gz BIPAQGZWGAYNRZ-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]Cc1occc1C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545357 522163959 /nfs/dbraw/zinc/16/39/59/522163959.db2.gz AFXIOWTXPAGODW-LBPRGKRZSA-N 2 1 266.385 2.246 10 0 CEAEMP C[NH2+][C@H](C)c1sc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc1C ZINC000054905543 522457068 /nfs/dbraw/zinc/45/70/68/522457068.db2.gz JABHQFCURDYMDF-ZYHUDNBSSA-N 2 1 282.457 2.262 10 0 CEAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052593196 522586523 /nfs/dbraw/zinc/58/65/23/522586523.db2.gz VFVPOTQAQGWSKI-KBPBESRZSA-N 2 1 265.401 2.239 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCCO1 ZINC000052507655 523078527 /nfs/dbraw/zinc/07/85/27/523078527.db2.gz FEAUUUNIHFHZHQ-JYJNAYRXSA-N 2 1 298.471 2.423 10 0 CEAEMP C[N@H+](Cc1ccncc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181912 523463268 /nfs/dbraw/zinc/46/32/68/523463268.db2.gz NFFGFXKNSGERAU-UHFFFAOYSA-N 2 1 289.423 2.062 10 0 CEAEMP C[N@@H+](Cc1ccncc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181912 523463277 /nfs/dbraw/zinc/46/32/77/523463277.db2.gz NFFGFXKNSGERAU-UHFFFAOYSA-N 2 1 289.423 2.062 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953206 523505107 /nfs/dbraw/zinc/50/51/07/523505107.db2.gz NBHXCDPBQPSZEG-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CN([C@@H](C[NH3+])c1cc2ccccc2o1)[C@@H]1CCC[N@@H+](C)C1 ZINC000068811925 523623988 /nfs/dbraw/zinc/62/39/88/523623988.db2.gz JZFMISXGHCQNSS-CABCVRRESA-N 2 1 287.407 2.459 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000052205680 523793887 /nfs/dbraw/zinc/79/38/87/523793887.db2.gz DDPUJIVFCIEVQG-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(C[NH3+])c(C)o1 ZINC000052547304 523939399 /nfs/dbraw/zinc/93/93/99/523939399.db2.gz MIMTXQYDRJOPTJ-NSHDSACASA-N 2 1 254.374 2.294 10 0 CEAEMP C[NH+](C)CC1CC[NH+](Cc2ccoc2CNC2CC2)CC1 ZINC000052515326 524049833 /nfs/dbraw/zinc/04/98/33/524049833.db2.gz AESRDZRLSUZYCK-UHFFFAOYSA-N 2 1 291.439 2.305 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)Cc1cnn(C)c1 ZINC000052570398 524139490 /nfs/dbraw/zinc/13/94/90/524139490.db2.gz HLSIYNCLUXMANE-CYBMUJFWSA-N 2 1 266.433 2.409 10 0 CEAEMP C[C@H]1CCC[C@H]([N@@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182634 524201943 /nfs/dbraw/zinc/20/19/43/524201943.db2.gz JPQVVSWRCYRLJK-KBPBESRZSA-N 2 1 254.418 2.252 10 0 CEAEMP Cc1cc(CN2CCC[N@@H+](C)CC2)oc1C[NH2+]CC(C)C ZINC000052424487 524680188 /nfs/dbraw/zinc/68/01/88/524680188.db2.gz OIMJUDGJYFRNPV-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1cc(C[N@@H+]2CCCN(C)CC2)oc1C[NH2+]CC(C)C ZINC000052424487 524680199 /nfs/dbraw/zinc/68/01/99/524680199.db2.gz OIMJUDGJYFRNPV-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1cc(C[N@H+]2CCCN(C)CC2)oc1C[NH2+]CC(C)C ZINC000052424487 524680205 /nfs/dbraw/zinc/68/02/05/524680205.db2.gz OIMJUDGJYFRNPV-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1ccc(F)cc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188440 524856417 /nfs/dbraw/zinc/85/64/17/524856417.db2.gz FJJSSMOMJCWYOS-UHFFFAOYSA-N 2 1 293.386 2.133 10 0 CEAEMP [NH3+]Cc1ccc(F)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC000069401540 527254668 /nfs/dbraw/zinc/25/46/68/527254668.db2.gz FYFHTOXTIJMPLK-UHFFFAOYSA-N 2 1 288.366 2.279 10 0 CEAEMP Cc1ncc(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602609 527261152 /nfs/dbraw/zinc/26/11/52/527261152.db2.gz DLYYPWHIRUMWJV-YOGCLGLASA-N 2 1 251.399 2.296 10 0 CEAEMP Cc1ncc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602609 527261156 /nfs/dbraw/zinc/26/11/56/527261156.db2.gz DLYYPWHIRUMWJV-YOGCLGLASA-N 2 1 251.399 2.296 10 0 CEAEMP NNc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000052718696 527274709 /nfs/dbraw/zinc/27/47/09/527274709.db2.gz OQEXLVQJJIFYJD-HNNXBMFYSA-N 2 1 268.364 2.357 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@@H]12 ZINC000261582289 623384139 /nfs/dbraw/zinc/38/41/39/623384139.db2.gz RDELJZMNDFDFHX-MRCXROJRSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]12 ZINC000261582289 623384149 /nfs/dbraw/zinc/38/41/49/623384149.db2.gz RDELJZMNDFDFHX-MRCXROJRSA-N 2 1 252.308 2.134 10 0 CEAEMP C[C@H](CC[NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399082519 628773788 /nfs/dbraw/zinc/77/37/88/628773788.db2.gz QBBSBOJGPZJBGG-OAHLLOKOSA-N 2 1 276.424 2.227 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553163 628936660 /nfs/dbraw/zinc/93/66/60/628936660.db2.gz SESSNRWAFOAXPJ-YTQUADARSA-N 2 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553163 628936662 /nfs/dbraw/zinc/93/66/62/628936662.db2.gz SESSNRWAFOAXPJ-YTQUADARSA-N 3 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553163 628936665 /nfs/dbraw/zinc/93/66/65/628936665.db2.gz SESSNRWAFOAXPJ-YTQUADARSA-N 3 1 299.462 2.239 10 0 CEAEMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC000261557316 628937857 /nfs/dbraw/zinc/93/78/57/628937857.db2.gz CNCHXRSRWVLMAY-APIJFGDWSA-N 2 1 252.402 2.018 10 0 CEAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]cc3Br)C[C@@H]21 ZINC000231577364 639864076 /nfs/dbraw/zinc/86/40/76/639864076.db2.gz DTCZMJTZOZWVJY-JFGNBEQYSA-N 2 1 296.212 2.408 10 0 CEAEMP CCc1cc(N2CCC([NH2+]CC3CC3)CC2)nc(C)[nH+]1 ZINC000133682980 652703505 /nfs/dbraw/zinc/70/35/05/652703505.db2.gz OXSKJVKJTBWBCJ-UHFFFAOYSA-N 2 1 274.412 2.316 10 0 CEAEMP CC[NH+](CC)CCC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC000097009311 185152087 /nfs/dbraw/zinc/15/20/87/185152087.db2.gz UHFRNXGFGRNNHL-CYBMUJFWSA-N 3 1 252.406 2.067 10 0 CEAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262794 539211683 /nfs/dbraw/zinc/21/16/83/539211683.db2.gz QVGLTCVDVABRDZ-RYUDHWBXSA-N 2 1 258.287 2.500 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000137208309 344387360 /nfs/dbraw/zinc/38/73/60/344387360.db2.gz FVLDTWKDLVZZLW-LBPRGKRZSA-N 2 1 262.422 2.270 10 0 CEAEMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262301012 344654453 /nfs/dbraw/zinc/65/44/53/344654453.db2.gz QGHBDINKMQPYME-ARFHVFGLSA-N 2 1 295.471 2.275 10 0 CEAEMP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399116525 344857271 /nfs/dbraw/zinc/85/72/71/344857271.db2.gz MVQJUSYSGZDOOL-INIZCTEOSA-N 2 1 262.397 2.184 10 0 CEAEMP Cn1cc[nH+]c1CC[C@@H]([NH3+])[C@H]1Cc2ccccc2S1 ZINC000097451697 185608786 /nfs/dbraw/zinc/60/87/86/185608786.db2.gz WFCBQSWYKHPYPB-TZMCWYRMSA-N 2 1 273.405 2.397 10 0 CEAEMP c1cnn(CC[N@H+]2CCCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC000085403702 179053103 /nfs/dbraw/zinc/05/31/03/179053103.db2.gz ASQWGLXKKLOZKV-INIZCTEOSA-N 2 1 276.428 2.127 10 0 CEAEMP CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@@H](C)CC[NH2+]1 ZINC000085627894 179106950 /nfs/dbraw/zinc/10/69/50/179106950.db2.gz DHOJNHJAWUHRAV-AWEZNQCLSA-N 2 1 278.444 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624329 179107006 /nfs/dbraw/zinc/10/70/06/179107006.db2.gz HVIDODIXTBRKFF-IHRRRGAJSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)OCC[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610338 179101981 /nfs/dbraw/zinc/10/19/81/179101981.db2.gz HNYVNHWJTRXUOZ-UHFFFAOYSA-N 2 1 254.418 2.410 10 0 CEAEMP Cc1nccn1CC[N@@H+]1C[C@@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621891 179105975 /nfs/dbraw/zinc/10/59/75/179105975.db2.gz YJNGXFGGIFMZNH-GOEBONIOSA-N 2 1 278.444 2.290 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086143098 179237678 /nfs/dbraw/zinc/23/76/78/179237678.db2.gz KEBYFJSFMMHXEE-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146727 179239982 /nfs/dbraw/zinc/23/99/82/179239982.db2.gz SCSPVQFDTUHOGS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146727 179239984 /nfs/dbraw/zinc/23/99/84/179239984.db2.gz SCSPVQFDTUHOGS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146727 179239986 /nfs/dbraw/zinc/23/99/86/179239986.db2.gz SCSPVQFDTUHOGS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146727 179239990 /nfs/dbraw/zinc/23/99/90/179239990.db2.gz SCSPVQFDTUHOGS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146727 179239992 /nfs/dbraw/zinc/23/99/92/179239992.db2.gz SCSPVQFDTUHOGS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173699 179244814 /nfs/dbraw/zinc/24/48/14/179244814.db2.gz AXBMYQMWNDCAJG-GOEBONIOSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@H](C)[NH2+]C[C@@H]2C(C)C)CC1 ZINC000086173699 179244815 /nfs/dbraw/zinc/24/48/15/179244815.db2.gz AXBMYQMWNDCAJG-GOEBONIOSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@H]1CN(CCCC[N@@H+](C)C(C)C)[C@@H](C)C[NH2+]1 ZINC000086174328 179245715 /nfs/dbraw/zinc/24/57/15/179245715.db2.gz INZRINJNGBKPIA-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)[C@@H](C)CN1 ZINC000086174328 179245717 /nfs/dbraw/zinc/24/57/17/179245717.db2.gz INZRINJNGBKPIA-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)[C@@H](C)CN1 ZINC000086174328 179245718 /nfs/dbraw/zinc/24/57/18/179245718.db2.gz INZRINJNGBKPIA-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)[C@@H](C)CN1 ZINC000086174328 179245720 /nfs/dbraw/zinc/24/57/20/179245720.db2.gz INZRINJNGBKPIA-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)[C@@H](C)CN1 ZINC000086174328 179245721 /nfs/dbraw/zinc/24/57/21/179245721.db2.gz INZRINJNGBKPIA-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223089 179250358 /nfs/dbraw/zinc/25/03/58/179250358.db2.gz LNBDZICTBDEZMC-DJIMGWMZSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223101 179250391 /nfs/dbraw/zinc/25/03/91/179250391.db2.gz OKKXXQPCBDAVJH-ILXRZTDVSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223146 179251614 /nfs/dbraw/zinc/25/16/14/179251614.db2.gz NBFPUDZFMMRNHI-JFIYKMOQSA-N 2 1 287.451 2.147 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223137 179251709 /nfs/dbraw/zinc/25/17/09/179251709.db2.gz OCPPGAMPWPXDEJ-BPQIPLTHSA-N 2 1 287.451 2.363 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259619 179257994 /nfs/dbraw/zinc/25/79/94/179257994.db2.gz SXJTXNUDRFZLEH-OLMNPRSZSA-N 2 1 291.483 2.466 10 0 CEAEMP C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259227 179258607 /nfs/dbraw/zinc/25/86/07/179258607.db2.gz ZPMGSGHRVSPUFL-HZPDHXFCSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[C@@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259671 179259293 /nfs/dbraw/zinc/25/92/93/179259293.db2.gz SSNWKCDGMDBQNV-OIISXLGYSA-N 2 1 279.472 2.322 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1CC(C)(C)NC[C@@H]1C ZINC000086261210 179259909 /nfs/dbraw/zinc/25/99/09/179259909.db2.gz TTYMMUWCTCCOIJ-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1CC(C)(C)NC[C@@H]1C ZINC000086261210 179259910 /nfs/dbraw/zinc/25/99/10/179259910.db2.gz TTYMMUWCTCCOIJ-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1CC(C)(C)NC[C@@H]1C ZINC000086261210 179259912 /nfs/dbraw/zinc/25/99/12/179259912.db2.gz TTYMMUWCTCCOIJ-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@H+](C)CCCCN1CC(C)(C)[NH2+]C[C@@H]1C ZINC000086261210 179259914 /nfs/dbraw/zinc/25/99/14/179259914.db2.gz TTYMMUWCTCCOIJ-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1CC(C)(C)[NH2+]C[C@@H]1C ZINC000086261210 179259916 /nfs/dbraw/zinc/25/99/16/179259916.db2.gz TTYMMUWCTCCOIJ-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260742 179260103 /nfs/dbraw/zinc/26/01/03/179260103.db2.gz BLMSOODKICCGGJ-HYVNUMGLSA-N 2 1 279.472 2.179 10 0 CEAEMP C(C[N@H+]1CCC[NH2+]C2(CCCC2)C1)[C@@H]1CCCO1 ZINC000086291389 179265498 /nfs/dbraw/zinc/26/54/98/179265498.db2.gz OAGYJDZZHQFJNF-AWEZNQCLSA-N 2 1 252.402 2.164 10 0 CEAEMP CC[C@@H]1C[N@H+](CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285651 179263471 /nfs/dbraw/zinc/26/34/71/179263471.db2.gz QIMAVIDUIRDBOD-OAHLLOKOSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285651 179263472 /nfs/dbraw/zinc/26/34/72/179263472.db2.gz QIMAVIDUIRDBOD-OAHLLOKOSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086288677 179264487 /nfs/dbraw/zinc/26/44/87/179264487.db2.gz QHUMDRGROZEDIB-GJZGRUSLSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H]1CNC2(CCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259072 179256477 /nfs/dbraw/zinc/25/64/77/179256477.db2.gz HWCQCKFIQOJVHY-MRXNPFEDSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1CC1CC[NH+](C)CC1 ZINC000086259072 179256480 /nfs/dbraw/zinc/25/64/80/179256480.db2.gz HWCQCKFIQOJVHY-MRXNPFEDSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258986 179256982 /nfs/dbraw/zinc/25/69/82/179256982.db2.gz OCCCFKPOWXVNRM-SJORKVTESA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CC1CC[NH+](C)CC1 ZINC000086258986 179256984 /nfs/dbraw/zinc/25/69/84/179256984.db2.gz OCCCFKPOWXVNRM-SJORKVTESA-N 2 1 279.472 2.181 10 0 CEAEMP C1CC1[N@H+]1CC[C@@H](N2CCC[NH2+][C@@H](C3CCCCC3)C2)C1 ZINC000086291992 179266173 /nfs/dbraw/zinc/26/61/73/179266173.db2.gz GYIOFNBQBWRLTL-QZTJIDSGSA-N 2 1 291.483 2.467 10 0 CEAEMP CCC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291499 179266376 /nfs/dbraw/zinc/26/63/76/179266376.db2.gz VAHKOBNBRXMBPL-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[C@H]1CN(CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291499 179266377 /nfs/dbraw/zinc/26/63/77/179266377.db2.gz VAHKOBNBRXMBPL-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP Cc1cccnc1C[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086297390 179268044 /nfs/dbraw/zinc/26/80/44/179268044.db2.gz MDEYSKPLHDOMOP-UHFFFAOYSA-N 2 1 259.397 2.498 10 0 CEAEMP Cc1cccnc1C[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086297390 179268046 /nfs/dbraw/zinc/26/80/46/179268046.db2.gz MDEYSKPLHDOMOP-UHFFFAOYSA-N 2 1 259.397 2.498 10 0 CEAEMP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000086399736 179284981 /nfs/dbraw/zinc/28/49/81/179284981.db2.gz DLKHUQHXJJBKJY-WDEREUQCSA-N 2 1 269.186 2.419 10 0 CEAEMP CC1CCC(N(C)[C@@]2(C[NH3+])CCC[N@@H+](C)CC2)CC1 ZINC000086819399 179348464 /nfs/dbraw/zinc/34/84/64/179348464.db2.gz LQCCECUAWLADGB-GPANFISMSA-N 2 1 267.461 2.310 10 0 CEAEMP CN(c1cccc(F)c1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819531 179348752 /nfs/dbraw/zinc/34/87/52/179348752.db2.gz JQXJDQLFXRYEJW-HNNXBMFYSA-N 2 1 265.376 2.075 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CCCN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000086833516 179349578 /nfs/dbraw/zinc/34/95/78/179349578.db2.gz AFKYWLSLIOCZJL-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849636 179357623 /nfs/dbraw/zinc/35/76/23/179357623.db2.gz HJMLZXVNHVQEJE-MRXNPFEDSA-N 2 1 281.444 2.029 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000086842412 179353569 /nfs/dbraw/zinc/35/35/69/179353569.db2.gz SQPBPDUDAHFNLG-AWEZNQCLSA-N 2 1 276.380 2.379 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000086842412 179353571 /nfs/dbraw/zinc/35/35/71/179353571.db2.gz SQPBPDUDAHFNLG-AWEZNQCLSA-N 2 1 276.380 2.379 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NCC[NH+](C)C(C)C)CC1 ZINC000086844344 179354376 /nfs/dbraw/zinc/35/43/76/179354376.db2.gz OUZBNYRPQIUPCZ-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@H](NCC[N@H+](C)C(C)C)CC1 ZINC000086844344 179354377 /nfs/dbraw/zinc/35/43/77/179354377.db2.gz OUZBNYRPQIUPCZ-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@H](NCC[N@@H+](C)C(C)C)CC1 ZINC000086844344 179354379 /nfs/dbraw/zinc/35/43/79/179354379.db2.gz OUZBNYRPQIUPCZ-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)CC(C)C)CC1 ZINC000086846826 179355006 /nfs/dbraw/zinc/35/50/06/179355006.db2.gz GHZOOZFKWUAKBY-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](C)CC(C)C)CC1 ZINC000086846826 179355007 /nfs/dbraw/zinc/35/50/07/179355007.db2.gz GHZOOZFKWUAKBY-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@](CN)([NH+](C)CC(C)C)CC1 ZINC000086846826 179355011 /nfs/dbraw/zinc/35/50/11/179355011.db2.gz GHZOOZFKWUAKBY-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@H+](C)CC(C)C)CC1 ZINC000086846826 179355013 /nfs/dbraw/zinc/35/50/13/179355013.db2.gz GHZOOZFKWUAKBY-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](C)CC(C)C)CC1 ZINC000086846826 179355015 /nfs/dbraw/zinc/35/50/15/179355015.db2.gz GHZOOZFKWUAKBY-HNNXBMFYSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H](C)CC)CC1 ZINC000086846843 179355098 /nfs/dbraw/zinc/35/50/98/179355098.db2.gz WHZJNOQTNCCNHA-LSDHHAIUSA-N 2 1 255.450 2.310 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846124 179355363 /nfs/dbraw/zinc/35/53/63/179355363.db2.gz MHOWVAIDGOGZQX-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CCCN(CC)[C@@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846764 179355565 /nfs/dbraw/zinc/35/55/65/179355565.db2.gz KVFUSTYSEPNYRV-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[C@](C)(O)C[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000087011837 179379137 /nfs/dbraw/zinc/37/91/37/179379137.db2.gz QNCXAJFPANARNX-HNNXBMFYSA-N 2 1 254.418 2.168 10 0 CEAEMP C[NH2+][C@H](c1c[nH+]ccc1N)[C@H]1COc2ccccc2C1 ZINC000088021444 179536520 /nfs/dbraw/zinc/53/65/20/179536520.db2.gz AWWIFDNXQISGDN-WBMJQRKESA-N 2 1 269.348 2.176 10 0 CEAEMP COc1ccccc1OCC[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112608 179707511 /nfs/dbraw/zinc/70/75/11/179707511.db2.gz VNKKKIRZPLASFM-ZIAGYGMSSA-N 2 1 278.396 2.133 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000090566544 180005426 /nfs/dbraw/zinc/00/54/26/180005426.db2.gz QKNBODKZZWNBCA-SOUVJXGZSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](CC(C)C)C1CC1 ZINC000090566542 180005815 /nfs/dbraw/zinc/00/58/15/180005815.db2.gz KKLPARBRTHKVPW-UKRRQHHQSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](CC(C)C)C(C)C ZINC000090566555 180006255 /nfs/dbraw/zinc/00/62/55/180006255.db2.gz DVTZMSGUCOIBGH-CABCVRRESA-N 2 1 256.434 2.367 10 0 CEAEMP CCCCOCC[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694386 180026094 /nfs/dbraw/zinc/02/60/94/180026094.db2.gz JYIWUPUVAJUQQR-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000090694028 180026440 /nfs/dbraw/zinc/02/64/40/180026440.db2.gz TVQGXFAVXUGORK-CQSZACIVSA-N 2 1 289.423 2.335 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+](CCC[NH3+])C(C)C)O2 ZINC000090896976 180057510 /nfs/dbraw/zinc/05/75/10/180057510.db2.gz LNZIEPNBPOBYAM-OAHLLOKOSA-N 2 1 262.397 2.358 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090898964 180058049 /nfs/dbraw/zinc/05/80/49/180058049.db2.gz TVRYXAYIGWQLTJ-ZBFHGGJFSA-N 2 1 274.408 2.230 10 0 CEAEMP CC(C)[N@H+]1CCO[C@@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000091001575 180083378 /nfs/dbraw/zinc/08/33/78/180083378.db2.gz ARMMAIJILTXWPG-MRXNPFEDSA-N 2 1 293.455 2.485 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2ccc(C[C@H](C)[NH3+])c2)c1C ZINC000091005846 180084832 /nfs/dbraw/zinc/08/48/32/180084832.db2.gz BWCGRFUVAUMSHA-LBPRGKRZSA-N 2 1 273.380 2.447 10 0 CEAEMP C[C@@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC000091313966 180132415 /nfs/dbraw/zinc/13/24/15/180132415.db2.gz LGGYNANZIZRQFU-VXGBXAGGSA-N 2 1 266.410 2.046 10 0 CEAEMP CCC1CCC([N@@H+](C)CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091313875 180132964 /nfs/dbraw/zinc/13/29/64/180132964.db2.gz BBEXGRNVPGBBMP-YMAMQOFZSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000091313561 180133043 /nfs/dbraw/zinc/13/30/43/180133043.db2.gz ALKAZHCCAUWRBS-MRXNPFEDSA-N 2 1 262.397 2.276 10 0 CEAEMP C[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1C(F)(F)F ZINC000091337129 180136188 /nfs/dbraw/zinc/13/61/88/180136188.db2.gz LHPGHFSFSYDKPA-UHFFFAOYSA-N 2 1 256.231 2.006 10 0 CEAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362725 180141835 /nfs/dbraw/zinc/14/18/35/180141835.db2.gz ITPSQYXSHUXUDS-UVPYHEFZSA-N 2 1 266.429 2.454 10 0 CEAEMP C[N@H+](Cc1cccc2cccnc21)CC1CC([NH3+])C1 ZINC000091470917 180164745 /nfs/dbraw/zinc/16/47/45/180164745.db2.gz IBJABZBSRHEDFM-UHFFFAOYSA-N 2 1 255.365 2.404 10 0 CEAEMP COc1ccc(C[N@@H+](C)CC2CC([NH3+])C2)cc1F ZINC000091477731 180166042 /nfs/dbraw/zinc/16/60/42/180166042.db2.gz HFUTYUKLQGKJFT-UHFFFAOYSA-N 2 1 252.333 2.003 10 0 CEAEMP CCC[C@](C)(C[NH2+]C(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091491132 180170272 /nfs/dbraw/zinc/17/02/72/180170272.db2.gz CLNHUPJUDXYUID-UYSNPLJNSA-N 2 1 270.461 2.494 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@@](C)(CC)[NH+](C)C ZINC000091571373 180196693 /nfs/dbraw/zinc/19/66/93/180196693.db2.gz OFTOORVXQSAZHK-HZPDHXFCSA-N 2 1 280.460 2.233 10 0 CEAEMP CC[NH+](CC)C(CC)(CC)[C@H](N)Cc1cc[nH+]c(N)c1 ZINC000091615815 180207826 /nfs/dbraw/zinc/20/78/26/180207826.db2.gz UJPDVGNRAPUKEK-CQSZACIVSA-N 2 1 278.444 2.434 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(C)c1)C(CC)(CC)[NH+](C)C ZINC000091614700 180208047 /nfs/dbraw/zinc/20/80/47/180208047.db2.gz MNFFSOWMWQQFNU-CQSZACIVSA-N 2 1 266.433 2.061 10 0 CEAEMP CC[NH2+][C@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCC1 ZINC000091535358 180182329 /nfs/dbraw/zinc/18/23/29/180182329.db2.gz NRLOHNRRQDHZQK-CQSZACIVSA-N 2 1 276.428 2.059 10 0 CEAEMP CCCn1ncnc1C[C@H]([NH3+])C(CC)(CC)[NH+]1CCCC1 ZINC000091634974 180211620 /nfs/dbraw/zinc/21/16/20/180211620.db2.gz RKMWSNLSDSPBDE-AWEZNQCLSA-N 2 1 293.459 2.213 10 0 CEAEMP C[NH2+][C@H](C[C@@H]1Cc2ccccc21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721033 180235634 /nfs/dbraw/zinc/23/56/34/180235634.db2.gz TYPJWFOGQBIQGA-IDCNUPLLSA-N 2 1 286.419 2.168 10 0 CEAEMP C[NH2+][C@H](C[C@@H]1Cc2ccccc21)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721033 180235636 /nfs/dbraw/zinc/23/56/36/180235636.db2.gz TYPJWFOGQBIQGA-IDCNUPLLSA-N 2 1 286.419 2.168 10 0 CEAEMP Cc1cccc([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000091720657 180236365 /nfs/dbraw/zinc/23/63/65/180236365.db2.gz NOIYTHHQMXOFBE-KBMXLJTQSA-N 2 1 260.381 2.166 10 0 CEAEMP Cc1cccc([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000091720657 180236367 /nfs/dbraw/zinc/23/63/67/180236367.db2.gz NOIYTHHQMXOFBE-KBMXLJTQSA-N 2 1 260.381 2.166 10 0 CEAEMP Cc1cc(C)c([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720182 180237096 /nfs/dbraw/zinc/23/70/96/180237096.db2.gz VFEWGWFFPJLXEK-PVAVHDDUSA-N 2 1 274.408 2.475 10 0 CEAEMP Cc1cc(C)c([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720182 180237100 /nfs/dbraw/zinc/23/71/00/180237100.db2.gz VFEWGWFFPJLXEK-PVAVHDDUSA-N 2 1 274.408 2.475 10 0 CEAEMP C[NH2+][C@H](CCCc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721481 180237860 /nfs/dbraw/zinc/23/78/60/180237860.db2.gz ZYSVHDLMHPNNOE-KURKYZTESA-N 2 1 288.435 2.461 10 0 CEAEMP C[NH2+][C@H](CCCc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721481 180237861 /nfs/dbraw/zinc/23/78/61/180237861.db2.gz ZYSVHDLMHPNNOE-KURKYZTESA-N 2 1 288.435 2.461 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721667 180238442 /nfs/dbraw/zinc/23/84/42/180238442.db2.gz SDRSOISBAQTORA-KZNAEPCWSA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721667 180238443 /nfs/dbraw/zinc/23/84/43/180238443.db2.gz SDRSOISBAQTORA-KZNAEPCWSA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](CCC(F)(F)F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722015 180239862 /nfs/dbraw/zinc/23/98/62/180239862.db2.gz DHTJQOKQQKQLDC-IJLUTSLNSA-N 2 1 280.334 2.170 10 0 CEAEMP CC[NH2+][C@H](CCC(F)(F)F)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722015 180239863 /nfs/dbraw/zinc/23/98/63/180239863.db2.gz DHTJQOKQQKQLDC-IJLUTSLNSA-N 2 1 280.334 2.170 10 0 CEAEMP CCC[N@@H+]([C@@H](CC)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852569 180272745 /nfs/dbraw/zinc/27/27/45/180272745.db2.gz IHOPKTWHAKSBQV-RUXDESIVSA-N 2 1 270.417 2.310 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCCC[C@@H]1O ZINC000091852390 180273040 /nfs/dbraw/zinc/27/30/40/180273040.db2.gz UZBMOTZEMCLVQN-CVSAEHQPSA-N 2 1 254.418 2.272 10 0 CEAEMP CCc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)n(CC)n1 ZINC000091846788 180270071 /nfs/dbraw/zinc/27/00/71/180270071.db2.gz WFPOIOXVFQTCCB-UHFFFAOYSA-N 2 1 264.417 2.167 10 0 CEAEMP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847789 180271229 /nfs/dbraw/zinc/27/12/29/180271229.db2.gz MKEMYLAEYNRMBQ-DNOWBOINSA-N 2 1 281.444 2.026 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](O)([C@@]2(C[NH3+])CC[C@@H](C)C2)CC1 ZINC000091922759 180286763 /nfs/dbraw/zinc/28/67/63/180286763.db2.gz WBGMBGOENJMOPX-PMPSAXMXSA-N 2 1 268.445 2.377 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2cccc([C@@H](C)[NH2+]C)c2)C1 ZINC000092051133 180311867 /nfs/dbraw/zinc/31/18/67/180311867.db2.gz HSEQMUJWDNXIJR-CJNGLKHVSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2cccc([C@@H](C)[NH2+]C)c2)C1 ZINC000092051133 180311869 /nfs/dbraw/zinc/31/18/69/180311869.db2.gz HSEQMUJWDNXIJR-CJNGLKHVSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc(C)cc2[C@@H](C)[NH2+]C)C1 ZINC000092051183 180313046 /nfs/dbraw/zinc/31/30/46/180313046.db2.gz WPUQYFYOXBDTLC-HUUCEWRRSA-N 2 1 292.423 2.375 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc(C)cc2[C@@H](C)[NH2+]C)C1 ZINC000092051183 180313047 /nfs/dbraw/zinc/31/30/47/180313047.db2.gz WPUQYFYOXBDTLC-HUUCEWRRSA-N 2 1 292.423 2.375 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000092053560 180313411 /nfs/dbraw/zinc/31/34/11/180313411.db2.gz LJOBYNMGTFZPHA-PCKAHOCUSA-N 2 1 284.444 2.021 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000092053560 180313414 /nfs/dbraw/zinc/31/34/14/180313414.db2.gz LJOBYNMGTFZPHA-PCKAHOCUSA-N 2 1 284.444 2.021 10 0 CEAEMP CCC[NH2+][C@](C)(CO)CCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090288 180322400 /nfs/dbraw/zinc/32/24/00/180322400.db2.gz OPIPXMFLIIAMDO-ZNMIVQPWSA-N 2 1 256.434 2.105 10 0 CEAEMP c1ccc2c(c1)SC[C@@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000092290786 180357985 /nfs/dbraw/zinc/35/79/85/180357985.db2.gz RWKXIQKRUMBGBC-XQQFMLRXSA-N 2 1 260.406 2.027 10 0 CEAEMP CC[N@@H+](C[C@H]1COc2ccccc21)C1CC[NH2+]CC1 ZINC000092304391 180359317 /nfs/dbraw/zinc/35/93/17/180359317.db2.gz AOJWMQKURVKJMS-ZDUSSCGKSA-N 2 1 260.381 2.237 10 0 CEAEMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc21 ZINC000092308066 180361224 /nfs/dbraw/zinc/36/12/24/180361224.db2.gz HSLMCSZFOYREGP-OAHLLOKOSA-N 2 1 274.408 2.484 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1ccnc2ccccc12 ZINC000092348158 180367497 /nfs/dbraw/zinc/36/74/97/180367497.db2.gz UBFIVHMXOBYEHN-UHFFFAOYSA-N 2 1 286.379 2.009 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccnc2ccccc12 ZINC000092348158 180367498 /nfs/dbraw/zinc/36/74/98/180367498.db2.gz UBFIVHMXOBYEHN-UHFFFAOYSA-N 2 1 286.379 2.009 10 0 CEAEMP C[N@@H+]1CCN(Cc2cc(N)cc[nH+]2)[C@H](c2ccccc2)C1 ZINC000092418013 180380704 /nfs/dbraw/zinc/38/07/04/180380704.db2.gz OTSXFSJYNQPTRQ-KRWDZBQOSA-N 2 1 282.391 2.153 10 0 CEAEMP C[N@H+]1CCN(Cc2cc(N)cc[nH+]2)[C@H](c2ccccc2)C1 ZINC000092418013 180380706 /nfs/dbraw/zinc/38/07/06/180380706.db2.gz OTSXFSJYNQPTRQ-KRWDZBQOSA-N 2 1 282.391 2.153 10 0 CEAEMP COc1ccc2c(c1)[C@H]([NH3+])[C@@H](n1cc[nH+]c1C)CC2 ZINC000092386058 180373528 /nfs/dbraw/zinc/37/35/28/180373528.db2.gz HNCKXJPVBWPNSY-GJZGRUSLSA-N 2 1 257.337 2.387 10 0 CEAEMP CCOc1ccccc1[C@H](C[NH3+])N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000107915936 186197594 /nfs/dbraw/zinc/19/75/94/186197594.db2.gz WOEILGZGKMXRGY-HOCLYGCPSA-N 2 1 291.439 2.111 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1cc(C[NH3+])nc2ccccc21 ZINC000109589624 186265252 /nfs/dbraw/zinc/26/52/52/186265252.db2.gz VZSSUSXHWRWJPN-CYBMUJFWSA-N 2 1 284.407 2.081 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CC2CCCC2)O1 ZINC000110844720 186328315 /nfs/dbraw/zinc/32/83/15/186328315.db2.gz MJCWIHCQFDKCKT-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705118 186313851 /nfs/dbraw/zinc/31/38/51/186313851.db2.gz XMHHMZWUWBYCGN-CJNGLKHVSA-N 2 1 291.439 2.110 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(C)c(C)c2)C[C@@H]1C ZINC000110708638 186314883 /nfs/dbraw/zinc/31/48/83/186314883.db2.gz DHDIYBBJGXKFHE-RDJZCZTQSA-N 2 1 275.440 2.329 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccccc1F)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705218 186315034 /nfs/dbraw/zinc/31/50/34/186315034.db2.gz ATTKKHCDIYAISO-SWLSCSKDSA-N 2 1 279.403 2.240 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(SC)cc2)CC[N@H+]1C ZINC000110711185 186315786 /nfs/dbraw/zinc/31/57/86/186315786.db2.gz DDSKHRLZKGKGOH-HOCLYGCPSA-N 2 1 293.480 2.434 10 0 CEAEMP CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC[N@H+]1C ZINC000110715224 186315939 /nfs/dbraw/zinc/31/59/39/186315939.db2.gz ROGZOVVTPFURRA-OIISXLGYSA-N 2 1 273.424 2.027 10 0 CEAEMP Cc1ccc(C)c([C@@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110716498 186316122 /nfs/dbraw/zinc/31/61/22/186316122.db2.gz KDKGQEYLJABZGJ-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP C[C@H]1CN(CC2(C[NH2+]C3CC3)CCCCC2)CC[N@H+]1C ZINC000110744966 186318731 /nfs/dbraw/zinc/31/87/31/186318731.db2.gz VAEXHQHDCXFOCN-HNNXBMFYSA-N 2 1 279.472 2.325 10 0 CEAEMP Cc1ccccc1[C@H]([NH3+])CCN1CC[N@H+](C)C(C)(C)C1 ZINC000110746762 186319470 /nfs/dbraw/zinc/31/94/70/186319470.db2.gz BNPWIUDHRUWHIW-MRXNPFEDSA-N 2 1 275.440 2.411 10 0 CEAEMP CC[C@H]1CN(C[C@@](C)(CC)C[NH2+]C(C)C)CC[N@H+]1C ZINC000110746516 186319494 /nfs/dbraw/zinc/31/94/94/186319494.db2.gz FREQALNJFLMQSC-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CN(CC(C)(C)C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110746639 186319566 /nfs/dbraw/zinc/31/95/66/186319566.db2.gz BADRINYJVJMZGP-AWEZNQCLSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH2+]CC(C)(C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747339 186320213 /nfs/dbraw/zinc/32/02/13/186320213.db2.gz BSWRYQMSBHVKJX-UHFFFAOYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+]Cc1cc(CN2CC[N@@H+](C)[C@@H](CC)C2)c(C)o1 ZINC000110754464 186321046 /nfs/dbraw/zinc/32/10/46/186321046.db2.gz NLEZVEZKUWOPAW-HNNXBMFYSA-N 2 1 279.428 2.224 10 0 CEAEMP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755126 186321403 /nfs/dbraw/zinc/32/14/03/186321403.db2.gz FBRBQQFJJRLWEQ-AWEZNQCLSA-N 2 1 255.450 2.035 10 0 CEAEMP CC(C)CC[C@H](C)[NH2+]CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000110755631 186321648 /nfs/dbraw/zinc/32/16/48/186321648.db2.gz VMDJJDWCMVLCBC-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755234 186321913 /nfs/dbraw/zinc/32/19/13/186321913.db2.gz JDAAEVPJGYSKIC-ZDUSSCGKSA-N 2 1 255.450 2.179 10 0 CEAEMP C[C@@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC[N@H+]1C ZINC000110751126 186321973 /nfs/dbraw/zinc/32/19/73/186321973.db2.gz NCQJPIMUXUHREL-CYBMUJFWSA-N 2 1 279.428 2.304 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCOC1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111164112 186363545 /nfs/dbraw/zinc/36/35/45/186363545.db2.gz FOGSMZBCKAXFEC-ZFWWWQNUSA-N 2 1 275.396 2.412 10 0 CEAEMP CCOCC[N@H+](CC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111119690 186355703 /nfs/dbraw/zinc/35/57/03/186355703.db2.gz UHUYBIPQJUTQAV-AWEZNQCLSA-N 2 1 263.385 2.412 10 0 CEAEMP CCOCC[N@@H+](CC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111119690 186355705 /nfs/dbraw/zinc/35/57/05/186355705.db2.gz UHUYBIPQJUTQAV-AWEZNQCLSA-N 2 1 263.385 2.412 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000111150397 186360161 /nfs/dbraw/zinc/36/01/61/186360161.db2.gz NVWJDQZHDAMIRK-UHFFFAOYSA-N 3 1 263.429 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000111150397 186360162 /nfs/dbraw/zinc/36/01/62/186360162.db2.gz NVWJDQZHDAMIRK-UHFFFAOYSA-N 3 1 263.429 2.180 10 0 CEAEMP C[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172688 186365602 /nfs/dbraw/zinc/36/56/02/186365602.db2.gz MZIXGOHHNFXBMX-LSDHHAIUSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111324569 186398106 /nfs/dbraw/zinc/39/81/06/186398106.db2.gz UGXJOKPEDNGJRG-INIZCTEOSA-N 2 1 262.397 2.264 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)C[C@]1(C[NH3+])CCCOC1 ZINC000111324566 186398158 /nfs/dbraw/zinc/39/81/58/186398158.db2.gz UGXJOKPEDNGJRG-MRXNPFEDSA-N 2 1 262.397 2.264 10 0 CEAEMP CC(C)C[N@@H+](C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111324862 186398245 /nfs/dbraw/zinc/39/82/45/186398245.db2.gz RRDLYQSGPKUUKN-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](CC)C[C@@H]2CCCO2)CCCOC1 ZINC000111326594 186398302 /nfs/dbraw/zinc/39/83/02/186398302.db2.gz SXIPAXPURJCIPC-IRXDYDNUSA-N 2 1 298.471 2.284 10 0 CEAEMP CC(C)C[NH2+]C[C@@]1(C[N@@H+](C)C2CCOCC2)CCCOC1 ZINC000111325751 186398766 /nfs/dbraw/zinc/39/87/66/186398766.db2.gz KAZGXOARPVGJTB-QGZVFWFLSA-N 2 1 298.471 2.140 10 0 CEAEMP CCC[N@@H+](C[C@]1(C[NH2+]CC)CCCOC1)C1CC1 ZINC000111324923 186398873 /nfs/dbraw/zinc/39/88/73/186398873.db2.gz DPKMHYWGDLUEBJ-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@]1(C[NH+]2CCSCC2)CCCOC1 ZINC000111324545 186398926 /nfs/dbraw/zinc/39/89/26/186398926.db2.gz UPMXFJRSOLBUHG-OAHLLOKOSA-N 2 1 286.485 2.220 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)[C@@H](C)C(C)(C)C)CCCOC1 ZINC000111326335 186399092 /nfs/dbraw/zinc/39/90/92/186399092.db2.gz XDVLTWIHYMRMNQ-DZGCQCFKSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[N@@H+](C[C@@]1(C[NH2+]C(C)C)CCCOC1)[C@@H](C)COC ZINC000111326378 186399117 /nfs/dbraw/zinc/39/91/17/186399117.db2.gz HZCHVKTWFVHTBL-HOTGVXAUSA-N 2 1 286.460 2.138 10 0 CEAEMP C[C@H]([NH3+])Cc1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC000111497077 186424145 /nfs/dbraw/zinc/42/41/45/186424145.db2.gz JYYZOGKQLXJOFK-GXTWGEPZSA-N 2 1 279.403 2.103 10 0 CEAEMP CC(C)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562379 351415984 /nfs/dbraw/zinc/41/59/84/351415984.db2.gz MOJMMNJIPIFHKS-AXFHLTTASA-N 2 1 252.324 2.490 10 0 CEAEMP Brc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000335654503 212371984 /nfs/dbraw/zinc/37/19/84/212371984.db2.gz NINGQJGQBDJTPB-FUNVUKJBSA-N 2 1 296.212 2.217 10 0 CEAEMP CCn1nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000634999661 369036263 /nfs/dbraw/zinc/03/62/63/369036263.db2.gz XNKGFKYZGPMBMB-OLZOCXBDSA-N 2 1 272.396 2.083 10 0 CEAEMP CCn1nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000634999661 369036268 /nfs/dbraw/zinc/03/62/68/369036268.db2.gz XNKGFKYZGPMBMB-OLZOCXBDSA-N 2 1 272.396 2.083 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192641249 369838021 /nfs/dbraw/zinc/83/80/21/369838021.db2.gz LRFOTNLBVONZFC-RRFJBIMHSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192641249 369838025 /nfs/dbraw/zinc/83/80/25/369838025.db2.gz LRFOTNLBVONZFC-RRFJBIMHSA-N 2 1 254.418 2.121 10 0 CEAEMP COc1ccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231670886 370487804 /nfs/dbraw/zinc/48/78/04/370487804.db2.gz GKOCPINOMZKJQS-AWEZNQCLSA-N 2 1 278.396 2.148 10 0 CEAEMP C[C@@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000261549252 371643964 /nfs/dbraw/zinc/64/39/64/371643964.db2.gz OKYAYGMRFVEIPI-BPQIPLTHSA-N 2 1 287.451 2.381 10 0 CEAEMP C[C@@H]1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549252 371643966 /nfs/dbraw/zinc/64/39/66/371643966.db2.gz OKYAYGMRFVEIPI-BPQIPLTHSA-N 2 1 287.451 2.381 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000261577494 371658823 /nfs/dbraw/zinc/65/88/23/371658823.db2.gz CSXBJPXBXXOOPT-SCRDCRAPSA-N 2 1 264.344 2.003 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000261765170 371723577 /nfs/dbraw/zinc/72/35/77/371723577.db2.gz OCTVSOGPCIZWNQ-ARFHVFGLSA-N 2 1 267.376 2.404 10 0 CEAEMP CCC[C@@]1(COC)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261801887 371735080 /nfs/dbraw/zinc/73/50/80/371735080.db2.gz GYHIHOJCWNPMMY-CABCVRRESA-N 2 1 254.418 2.267 10 0 CEAEMP Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261991393 371791867 /nfs/dbraw/zinc/79/18/67/371791867.db2.gz STKARNUDEDGPQL-GVDBMIGSSA-N 2 1 274.408 2.242 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261890251 371762991 /nfs/dbraw/zinc/76/29/91/371762991.db2.gz GJIQUGMOZFDPPH-DAXOMENPSA-N 2 1 296.361 2.212 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1C ZINC000311822097 376688463 /nfs/dbraw/zinc/68/84/63/376688463.db2.gz NITIYLCIKWRCLU-VXGBXAGGSA-N 2 1 266.433 2.368 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[C@@H]1C ZINC000094458517 184804133 /nfs/dbraw/zinc/80/41/33/184804133.db2.gz GXUCOSRELHAKRF-BPKGMFCQSA-N 2 1 279.472 2.309 10 0 CEAEMP CC[NH2+][C@@H]1[C@H](N2CC[N@@H+](C)C(C)(C)C2)CCC1(C)C ZINC000094306168 184778434 /nfs/dbraw/zinc/77/84/34/184778434.db2.gz MAFFORWJWTXAFB-ZIAGYGMSSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@@H]([NH3+])Cc1cc(F)ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094444549 135088936 /nfs/dbraw/zinc/08/89/36/135088936.db2.gz OTGLWJMBUGMPGN-CZUORRHYSA-N 2 1 291.414 2.390 10 0 CEAEMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)CC(F)(F)F ZINC000423011271 394881650 /nfs/dbraw/zinc/88/16/50/394881650.db2.gz ILWGXUDZHGUUDL-UTUOFQBUSA-N 2 1 282.350 2.200 10 0 CEAEMP Brc1c[nH+]ccc1NCCC1CC[NH2+]CC1 ZINC000650310114 400867349 /nfs/dbraw/zinc/86/73/49/400867349.db2.gz MWRICCZYCRJPRU-UHFFFAOYSA-N 2 1 284.201 2.068 10 0 CEAEMP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261925581 153881371 /nfs/dbraw/zinc/88/13/71/153881371.db2.gz LAMZDDDBZPYYEC-ZNMIVQPWSA-N 2 1 280.437 2.037 10 0 CEAEMP Cc1oncc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000128839288 162297895 /nfs/dbraw/zinc/29/78/95/162297895.db2.gz OUXYYSULXMQXTH-AWEZNQCLSA-N 2 1 260.341 2.153 10 0 CEAEMP Cc1oncc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000128839288 162297898 /nfs/dbraw/zinc/29/78/98/162297898.db2.gz OUXYYSULXMQXTH-AWEZNQCLSA-N 2 1 260.341 2.153 10 0 CEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000168640050 162365645 /nfs/dbraw/zinc/36/56/45/162365645.db2.gz XMZGWJYFOSKOHA-KFWWJZLASA-N 2 1 295.471 2.131 10 0 CEAEMP CSCCC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178308215 165235393 /nfs/dbraw/zinc/23/53/93/165235393.db2.gz NNXLWYGMSOADIU-CYBMUJFWSA-N 2 1 253.415 2.409 10 0 CEAEMP C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178976940 165266615 /nfs/dbraw/zinc/26/66/15/165266615.db2.gz UPWUWRHFEGNYCQ-XCLFUZPHSA-N 2 1 294.464 2.416 10 0 CEAEMP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037209993 173031796 /nfs/dbraw/zinc/03/17/96/173031796.db2.gz QZVWEXSRUGVTOC-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037209993 173031798 /nfs/dbraw/zinc/03/17/98/173031798.db2.gz QZVWEXSRUGVTOC-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037209993 173031800 /nfs/dbraw/zinc/03/18/00/173031800.db2.gz QZVWEXSRUGVTOC-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP Cc1cc(N(CC[NH3+])Cc2ccccc2)nc(C)[nH+]1 ZINC000038033120 174029709 /nfs/dbraw/zinc/02/97/09/174029709.db2.gz AZJCIFIBBMYVDY-UHFFFAOYSA-N 2 1 256.353 2.059 10 0 CEAEMP FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326962 175008866 /nfs/dbraw/zinc/00/88/66/175008866.db2.gz PDPFFFYNZBEROV-UTUOFQBUSA-N 2 1 280.334 2.218 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@H+](CC)C1CCCCC1 ZINC000043804243 175107640 /nfs/dbraw/zinc/10/76/40/175107640.db2.gz DIWKAQBSIDNHJJ-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CC)C1CCCCC1 ZINC000043804243 175107641 /nfs/dbraw/zinc/10/76/41/175107641.db2.gz DIWKAQBSIDNHJJ-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000043818300 175112899 /nfs/dbraw/zinc/11/28/99/175112899.db2.gz IOGNDAVZLTZDQH-KRWDZBQOSA-N 2 1 275.440 2.283 10 0 CEAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818526 175113354 /nfs/dbraw/zinc/11/33/54/175113354.db2.gz DLAXFWGAKYGDHE-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](CCCOC)CCOC ZINC000043970915 175132118 /nfs/dbraw/zinc/13/21/18/175132118.db2.gz ROEQHZXISHVCCK-GJZGRUSLSA-N 2 1 274.449 2.138 10 0 CEAEMP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](CCCOC)CCOC ZINC000043970915 175132119 /nfs/dbraw/zinc/13/21/19/175132119.db2.gz ROEQHZXISHVCCK-GJZGRUSLSA-N 2 1 274.449 2.138 10 0 CEAEMP C[NH2+]Cc1sc2ccccc2c1C[NH+]1CCOCC1 ZINC000045206365 175328408 /nfs/dbraw/zinc/32/84/08/175328408.db2.gz JEPAMVQXBMBNKT-UHFFFAOYSA-N 2 1 276.405 2.453 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373396 175365017 /nfs/dbraw/zinc/36/50/17/175365017.db2.gz MVYRXYBPEBVANB-UXLLHSPISA-N 2 1 297.487 2.377 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373383 175365182 /nfs/dbraw/zinc/36/51/82/175365182.db2.gz WFSJTSYIBUAUBD-HLLBOEOZSA-N 2 1 297.487 2.378 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[NH+]1CCC(C)CC1 ZINC000045374771 175365536 /nfs/dbraw/zinc/36/55/36/175365536.db2.gz VUAKZUXSGBBQNC-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379684 175368910 /nfs/dbraw/zinc/36/89/10/175368910.db2.gz YKBCBSLJEXCSPX-KCQAQPDRSA-N 2 1 270.417 2.310 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382726 175370836 /nfs/dbraw/zinc/37/08/36/175370836.db2.gz DAUJSRSUCJDFLF-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CC)C(=O)OCC ZINC000045382726 175370838 /nfs/dbraw/zinc/37/08/38/175370838.db2.gz DAUJSRSUCJDFLF-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCCC[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045387951 175374227 /nfs/dbraw/zinc/37/42/27/175374227.db2.gz PXAARCGSYNBWKH-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045387951 175374229 /nfs/dbraw/zinc/37/42/29/175374229.db2.gz PXAARCGSYNBWKH-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH3+])C(=O)OC)C1CCCC1 ZINC000045390448 175374446 /nfs/dbraw/zinc/37/44/46/175374446.db2.gz QFUDZPSPJOMMRY-HNNXBMFYSA-N 2 1 270.417 2.312 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OC)C1CCCC1 ZINC000045390452 175374728 /nfs/dbraw/zinc/37/47/28/175374728.db2.gz QFUDZPSPJOMMRY-OAHLLOKOSA-N 2 1 270.417 2.312 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1OCCc2ccccc21 ZINC000071092172 176031870 /nfs/dbraw/zinc/03/18/70/176031870.db2.gz BQSYSNZKVVIQPL-BTFYYFJDSA-N 2 1 272.392 2.255 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000071124944 176035135 /nfs/dbraw/zinc/03/51/35/176035135.db2.gz UVLLSRNCUIABGT-ZBFHGGJFSA-N 2 1 267.461 2.310 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000071142274 176039988 /nfs/dbraw/zinc/03/99/88/176039988.db2.gz UODAMGVNSNTUGO-UONOGXRCSA-N 2 1 290.407 2.450 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000071142274 176039989 /nfs/dbraw/zinc/03/99/89/176039989.db2.gz UODAMGVNSNTUGO-UONOGXRCSA-N 2 1 290.407 2.450 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071187975 176061639 /nfs/dbraw/zinc/06/16/39/176061639.db2.gz AQSSEPRIXDAHRB-MCIONIFRSA-N 2 1 255.450 2.022 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188076 176061678 /nfs/dbraw/zinc/06/16/78/176061678.db2.gz DRDSOOVJWFFGEJ-WOSRLPQWSA-N 2 1 279.403 2.098 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187888 176061985 /nfs/dbraw/zinc/06/19/85/176061985.db2.gz RECVWYGWRZSUPG-VHDGCEQUSA-N 2 1 281.469 2.410 10 0 CEAEMP CCc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188619 176063940 /nfs/dbraw/zinc/06/39/40/176063940.db2.gz NXFQYKWICBSDKC-WBVHZDCISA-N 2 1 275.440 2.132 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1C[NH2+]C1CC1 ZINC000071190074 176065634 /nfs/dbraw/zinc/06/56/34/176065634.db2.gz SXLHKUUIESOCIT-CYBMUJFWSA-N 2 1 291.414 2.466 10 0 CEAEMP C[N@H+](Cc1ccc2c(c1)CCCN2)C[C@H]1CC[NH+](C)C1 ZINC000071190880 176067536 /nfs/dbraw/zinc/06/75/36/176067536.db2.gz MKUQJRBFGODYCN-HNNXBMFYSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCCN2)C[C@H]1CC[N@H+](C)C1 ZINC000071190880 176067538 /nfs/dbraw/zinc/06/75/38/176067538.db2.gz MKUQJRBFGODYCN-HNNXBMFYSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCCN2)C[C@H]1CC[N@@H+](C)C1 ZINC000071190880 176067539 /nfs/dbraw/zinc/06/75/39/176067539.db2.gz MKUQJRBFGODYCN-HNNXBMFYSA-N 2 1 273.424 2.428 10 0 CEAEMP COc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190642 176068222 /nfs/dbraw/zinc/06/82/22/176068222.db2.gz PLAVFWITHWRGIC-CPUCHLNUSA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190642 176068224 /nfs/dbraw/zinc/06/82/24/176068224.db2.gz PLAVFWITHWRGIC-CPUCHLNUSA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190642 176068225 /nfs/dbraw/zinc/06/82/25/176068225.db2.gz PLAVFWITHWRGIC-CPUCHLNUSA-N 2 1 292.423 2.001 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191515 176070653 /nfs/dbraw/zinc/07/06/53/176070653.db2.gz CMHPCKVZWIHLBQ-AWEZNQCLSA-N 2 1 269.477 2.284 10 0 CEAEMP CC(C)[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191896 176071780 /nfs/dbraw/zinc/07/17/80/176071780.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 2 1 279.428 2.161 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191973 176072201 /nfs/dbraw/zinc/07/22/01/176072201.db2.gz UWKWLTIMQAWCKS-HZPDHXFCSA-N 2 1 269.477 2.140 10 0 CEAEMP CN(CC[NH2+]CC1CCCCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192355 176073635 /nfs/dbraw/zinc/07/36/35/176073635.db2.gz LLWBPQOEKKXVQB-MRXNPFEDSA-N 2 1 267.461 2.040 10 0 CEAEMP C[C@@H]1CCC[C@@H]([NH2+]CCN(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071192376 176073748 /nfs/dbraw/zinc/07/37/48/176073748.db2.gz CZHOQXJZHIEZOF-BZUAXINKSA-N 2 1 267.461 2.038 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1C[NH3+])[C@@H]1CCSC1 ZINC000071250304 176095099 /nfs/dbraw/zinc/09/50/99/176095099.db2.gz ZCKXUBLTAOMLED-CYBMUJFWSA-N 2 1 254.374 2.222 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1CCCCCC[NH2+]C1CC1 ZINC000071289814 176110400 /nfs/dbraw/zinc/11/04/00/176110400.db2.gz URSJKJMXFDHGBG-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP COCC[N@@H+](CCCCCC[NH2+]C1CC1)[C@@H](C)COC ZINC000071289724 176110571 /nfs/dbraw/zinc/11/05/71/176110571.db2.gz GHBRCEWPMNLCDU-HNNXBMFYSA-N 2 1 286.460 2.282 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CCC[C@H]1CN(C)C ZINC000071289823 176110611 /nfs/dbraw/zinc/11/06/11/176110611.db2.gz OMZOVAHNHKXABQ-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261961564 277337816 /nfs/dbraw/zinc/33/78/16/277337816.db2.gz PPWVGXYCHKIEFN-RRFJBIMHSA-N 2 1 266.429 2.169 10 0 CEAEMP CC(C)CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043220 277364712 /nfs/dbraw/zinc/36/47/12/277364712.db2.gz AXLXPCUGOCQEBS-GOEBONIOSA-N 2 1 295.471 2.144 10 0 CEAEMP CC(C)CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043220 277364715 /nfs/dbraw/zinc/36/47/15/277364715.db2.gz AXLXPCUGOCQEBS-GOEBONIOSA-N 2 1 295.471 2.144 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052206059 519339735 /nfs/dbraw/zinc/33/97/35/519339735.db2.gz PVXWKZBFROIWRC-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052206059 519339742 /nfs/dbraw/zinc/33/97/42/519339742.db2.gz PVXWKZBFROIWRC-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[N@H+](CCN(C)C)[C@@H](C)CC[NH2+]C(C)C ZINC000052503421 519717014 /nfs/dbraw/zinc/71/70/14/519717014.db2.gz KMFASMYMSIIKRD-HNNXBMFYSA-N 2 1 257.466 2.283 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)[C@@H](C)CC[NH2+]C(C)C ZINC000052503421 519717017 /nfs/dbraw/zinc/71/70/17/519717017.db2.gz KMFASMYMSIIKRD-HNNXBMFYSA-N 2 1 257.466 2.283 10 0 CEAEMP CC(C)[NH2+][C@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516855 519739207 /nfs/dbraw/zinc/73/92/07/519739207.db2.gz GUBVGOKDHWZOSN-MRXNPFEDSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673635 519924853 /nfs/dbraw/zinc/92/48/53/519924853.db2.gz VAWSIUHOWNFBBE-JYJNAYRXSA-N 2 1 284.444 2.035 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547426 519938573 /nfs/dbraw/zinc/93/85/73/519938573.db2.gz VKPKQWVYYMVGDC-ARFHVFGLSA-N 2 1 286.460 2.281 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CCOC)CC(C)C)o1 ZINC000052508520 519995922 /nfs/dbraw/zinc/99/59/22/519995922.db2.gz PKCOGUQVYNMCIY-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+](CCOC)CC(C)C)c1 ZINC000052508615 520017704 /nfs/dbraw/zinc/01/77/04/520017704.db2.gz WCZCDOBMZPBIST-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CCc2sccc2[C@@H]1C ZINC000062741181 520309811 /nfs/dbraw/zinc/30/98/11/520309811.db2.gz YSQOCAUNTBUQSG-NWDGAFQWSA-N 2 1 268.426 2.421 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)NCC[C@H]1CCCC[N@H+]1C ZINC000052206059 519339729 /nfs/dbraw/zinc/33/97/29/519339729.db2.gz PVXWKZBFROIWRC-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794038 519683405 /nfs/dbraw/zinc/68/34/05/519683405.db2.gz ZASUUUKHCWBPAH-UHFFFAOYSA-N 2 1 280.803 2.154 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CCc2ccccn2)O1 ZINC000052423980 519725417 /nfs/dbraw/zinc/72/54/17/519725417.db2.gz AZTUILDTVROBRO-SJORKVTESA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)C[NH2+]Cc1coc(CN2CCC[N@@H+](C)CC2)c1 ZINC000052424292 519748505 /nfs/dbraw/zinc/74/85/05/519748505.db2.gz HVLNLJZDOQAIQR-UHFFFAOYSA-N 2 1 279.428 2.163 10 0 CEAEMP CCC1CCC([N@H+](C)CC[C@H]([NH2+]C(C)C)C(N)=O)CC1 ZINC000062525927 519853560 /nfs/dbraw/zinc/85/35/60/519853560.db2.gz PCKNAVQGYUVNQL-NRXISQOPSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC1CCC([N@@H+](C)CC[C@H]([NH2+]C(C)C)C(N)=O)CC1 ZINC000062525927 519853561 /nfs/dbraw/zinc/85/35/61/519853561.db2.gz PCKNAVQGYUVNQL-NRXISQOPSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+]C(C)(C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000061287157 519905204 /nfs/dbraw/zinc/90/52/04/519905204.db2.gz KJRQTZJXQAAICJ-UHFFFAOYSA-N 2 1 291.439 2.013 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@@H+](C)CCOC ZINC000052572958 519956154 /nfs/dbraw/zinc/95/61/54/519956154.db2.gz YWNIHPKFHLVJBO-UHFFFAOYSA-N 2 1 250.386 2.264 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000052382478 519956967 /nfs/dbraw/zinc/95/69/67/519956967.db2.gz NNGALUNHSJCOLT-HNNXBMFYSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@H+]1CCO[C@@H](C)C1 ZINC000052382478 519956977 /nfs/dbraw/zinc/95/69/77/519956977.db2.gz NNGALUNHSJCOLT-HNNXBMFYSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)[C@H](C)COC ZINC000052511566 519972637 /nfs/dbraw/zinc/97/26/37/519972637.db2.gz AUKNKZPYUZQWNZ-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000053011762 519975649 /nfs/dbraw/zinc/97/56/49/519975649.db2.gz DTNLZRLJWFRBBZ-JKSUJKDBSA-N 3 1 269.477 2.428 10 0 CEAEMP CCC[NH2+][C@H](C)[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000068689903 520064064 /nfs/dbraw/zinc/06/40/64/520064064.db2.gz IYFOKJGICOKEFX-ZIAGYGMSSA-N 2 1 291.443 2.147 10 0 CEAEMP CCC[NH2+][C@H](C)c1cnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000054909515 520067418 /nfs/dbraw/zinc/06/74/18/520067418.db2.gz FVGHSASZPMMRMK-GFCCVEGCSA-N 2 1 294.468 2.488 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000062741086 520516784 /nfs/dbraw/zinc/51/67/84/520516784.db2.gz UBCAQIMWFYXWHK-RYUDHWBXSA-N 2 1 256.415 2.495 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000053011438 522090917 /nfs/dbraw/zinc/09/09/17/522090917.db2.gz ASQDCCLRMTVOOF-QGZVFWFLSA-N 2 1 287.451 2.192 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000053011438 522090926 /nfs/dbraw/zinc/09/09/26/522090926.db2.gz ASQDCCLRMTVOOF-QGZVFWFLSA-N 2 1 287.451 2.192 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)on1 ZINC000052373085 522107578 /nfs/dbraw/zinc/10/75/78/522107578.db2.gz GYFGEDFNQLFFIO-CQSZACIVSA-N 2 1 271.364 2.384 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000052573098 522115974 /nfs/dbraw/zinc/11/59/74/522115974.db2.gz DREQMONZSBGKHQ-GJZGRUSLSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000052573098 522115986 /nfs/dbraw/zinc/11/59/86/522115986.db2.gz DREQMONZSBGKHQ-GJZGRUSLSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000052453344 522133268 /nfs/dbraw/zinc/13/32/68/522133268.db2.gz XYGHEGMQAUVDGT-CQSZACIVSA-N 2 1 280.437 2.222 10 0 CEAEMP CC[C@H]([NH3+])Cc1nccn1Cc1[nH+]cc(C)c(OC)c1C ZINC000062803073 522337853 /nfs/dbraw/zinc/33/78/53/522337853.db2.gz GLPLFGAUULLYSC-ZDUSSCGKSA-N 2 1 288.395 2.232 10 0 CEAEMP CCc1[nH+]ccn1C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000048821706 522584726 /nfs/dbraw/zinc/58/47/26/522584726.db2.gz VASBBUUSKHGFML-CYBMUJFWSA-N 2 1 287.363 2.307 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812039 523139074 /nfs/dbraw/zinc/13/90/74/523139074.db2.gz ZBXASBARTODUNI-ZFWWWQNUSA-N 2 1 287.407 2.316 10 0 CEAEMP COCC[N@@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052572802 523623310 /nfs/dbraw/zinc/62/33/10/523623310.db2.gz UBLJZZGYBKXTGW-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP CN1CCC([N@H+](C)[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015141 523625835 /nfs/dbraw/zinc/62/58/35/523625835.db2.gz WBOKBKRPCQMEHZ-MRXNPFEDSA-N 2 1 261.413 2.103 10 0 CEAEMP CN1CCC([N@@H+](C)[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015141 523625846 /nfs/dbraw/zinc/62/58/46/523625846.db2.gz WBOKBKRPCQMEHZ-MRXNPFEDSA-N 2 1 261.413 2.103 10 0 CEAEMP CC[C@@]1(CN2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062912536 523735130 /nfs/dbraw/zinc/73/51/30/523735130.db2.gz BQVPVYXXZREIGW-QGZVFWFLSA-N 2 1 279.472 2.184 10 0 CEAEMP COc1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011052 523951650 /nfs/dbraw/zinc/95/16/50/523951650.db2.gz WZMJMAMMKZDXDA-OAHLLOKOSA-N 2 1 274.408 2.312 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125337 523981006 /nfs/dbraw/zinc/98/10/06/523981006.db2.gz QFGUPHWJKBNLEC-CYBMUJFWSA-N 2 1 255.365 2.276 10 0 CEAEMP C[NH+](C)CC1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883546 524050005 /nfs/dbraw/zinc/05/00/05/524050005.db2.gz WQYOETYTLBFNLA-QGZVFWFLSA-N 2 1 275.440 2.134 10 0 CEAEMP C[C@H](CC[NH2+]C(C)(C)C)[N@H+](C)C1CCN(C)CC1 ZINC000052419961 524191734 /nfs/dbraw/zinc/19/17/34/524191734.db2.gz VMONYTHLOBWNPE-CYBMUJFWSA-N 2 1 255.450 2.179 10 0 CEAEMP C[C@H](CC[NH2+]C(C)(C)C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419961 524191737 /nfs/dbraw/zinc/19/17/37/524191737.db2.gz VMONYTHLOBWNPE-CYBMUJFWSA-N 2 1 255.450 2.179 10 0 CEAEMP Cc1cccc(C[N@@H+](C)Cc2cc[nH+]c(NN)c2)c1 ZINC000052722957 524376861 /nfs/dbraw/zinc/37/68/61/524376861.db2.gz XSNLVTJNVIQVMC-UHFFFAOYSA-N 2 1 256.353 2.308 10 0 CEAEMP Cc1cccc(C[N@H+](C)Cc2cc[nH+]c(NN)c2)c1 ZINC000052722957 524376869 /nfs/dbraw/zinc/37/68/69/524376869.db2.gz XSNLVTJNVIQVMC-UHFFFAOYSA-N 2 1 256.353 2.308 10 0 CEAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000049554413 524477475 /nfs/dbraw/zinc/47/74/75/524477475.db2.gz TVUPUAOMLWEAHL-ZDUSSCGKSA-N 2 1 278.396 2.278 10 0 CEAEMP C[C@H](C[NH2+]C1CC1)C[N@@H+]1CCc2sccc2C1 ZINC000052382925 524479237 /nfs/dbraw/zinc/47/92/37/524479237.db2.gz UCMVICSSQQKJKY-LLVKDONJSA-N 2 1 250.411 2.494 10 0 CEAEMP C[C@H](C[NH2+]C1CC1)C[N@H+]1CCc2sccc2C1 ZINC000052382925 524479243 /nfs/dbraw/zinc/47/92/43/524479243.db2.gz UCMVICSSQQKJKY-LLVKDONJSA-N 2 1 250.411 2.494 10 0 CEAEMP C[C@@H]1COCC[N@@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052475966 525128790 /nfs/dbraw/zinc/12/87/90/525128790.db2.gz MGRSZJAKMBZBAQ-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@@H]1COCC[N@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052475966 525128795 /nfs/dbraw/zinc/12/87/95/525128795.db2.gz MGRSZJAKMBZBAQ-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000054793695 525460130 /nfs/dbraw/zinc/46/01/30/525460130.db2.gz ZOZCWUCZJWGDGI-LBPRGKRZSA-N 2 1 250.390 2.072 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000054793695 525460141 /nfs/dbraw/zinc/46/01/41/525460141.db2.gz ZOZCWUCZJWGDGI-LBPRGKRZSA-N 2 1 250.390 2.072 10 0 CEAEMP NC(=[NH2+])C[C@H](c1ccccc1)[N@@H+](CCO)C1CCCC1 ZINC000055023331 526817563 /nfs/dbraw/zinc/81/75/63/526817563.db2.gz PALJHXFPXCCPIC-OAHLLOKOSA-N 2 1 275.396 2.291 10 0 CEAEMP [NH3+]C[C@H]1CC[C@@H](C[N@@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542054 527239724 /nfs/dbraw/zinc/23/97/24/527239724.db2.gz WGNCLXZGZHEWGX-KGLIPLIRSA-N 2 1 266.410 2.219 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@H](N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791963 625113485 /nfs/dbraw/zinc/11/34/85/625113485.db2.gz UTOCBQHCPAXJMO-ROUUACIJSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(C[N@H+]2CCC[C@H](N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791963 625113489 /nfs/dbraw/zinc/11/34/89/625113489.db2.gz UTOCBQHCPAXJMO-ROUUACIJSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000309932782 628168329 /nfs/dbraw/zinc/16/83/29/628168329.db2.gz WZLAKURBYHXWJM-MLHJIOFPSA-N 2 1 286.419 2.276 10 0 CEAEMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009630 628248061 /nfs/dbraw/zinc/24/80/61/628248061.db2.gz YIJSCALGRVOVFU-MCIONIFRSA-N 2 1 299.459 2.314 10 0 CEAEMP CC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000224873433 639466530 /nfs/dbraw/zinc/46/65/30/639466530.db2.gz SHPAAWXCLZYVCL-GJZGRUSLSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000224873433 639466531 /nfs/dbraw/zinc/46/65/31/639466531.db2.gz SHPAAWXCLZYVCL-GJZGRUSLSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000224873433 639466535 /nfs/dbraw/zinc/46/65/35/639466535.db2.gz SHPAAWXCLZYVCL-GJZGRUSLSA-N 2 1 252.402 2.162 10 0 CEAEMP C[NH+](C)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253290962 282085471 /nfs/dbraw/zinc/08/54/71/282085471.db2.gz QFGHRDQWBRVIGB-ARFHVFGLSA-N 2 1 268.445 2.344 10 0 CEAEMP C(C[NH+]1CCCC1)N1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC000096090729 185095347 /nfs/dbraw/zinc/09/53/47/185095347.db2.gz ZMOVNOMROIVRPD-MSOLQXFVSA-N 2 1 291.483 2.136 10 0 CEAEMP C[N@H+](Cc1cc(F)cc(F)c1)CC1CC[NH2+]CC1 ZINC000097904691 529979811 /nfs/dbraw/zinc/97/98/11/529979811.db2.gz ICVDVKDRLIJDGN-UHFFFAOYSA-N 2 1 254.324 2.396 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136203824 344383957 /nfs/dbraw/zinc/38/39/57/344383957.db2.gz LVLPNJCIRODBEI-QGZVFWFLSA-N 2 1 295.471 2.097 10 0 CEAEMP c1cc2c(cc1N1CC[NH2+]CC1)CC[N@@H+](C1CCC1)CC2 ZINC000165781742 344474994 /nfs/dbraw/zinc/47/49/94/344474994.db2.gz ROURIHRSAJSFEQ-UHFFFAOYSA-N 2 1 285.435 2.049 10 0 CEAEMP Cc1ccc(C)c([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)c1 ZINC000399094463 344856908 /nfs/dbraw/zinc/85/69/08/344856908.db2.gz VCFFHVYMEFUTBJ-HNNXBMFYSA-N 2 1 276.424 2.411 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613221 179102505 /nfs/dbraw/zinc/10/25/05/179102505.db2.gz ZBKOMDCVYQHMGT-CYBMUJFWSA-N 2 1 294.361 2.419 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085611279 179103137 /nfs/dbraw/zinc/10/31/37/179103137.db2.gz YDMWZXSVLCCKIM-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)OCC[N@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623129 179105842 /nfs/dbraw/zinc/10/58/42/179105842.db2.gz NWPBFHVLYGIZLP-AWEZNQCLSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623663 179105894 /nfs/dbraw/zinc/10/58/94/179105894.db2.gz YCYSHJBBKDOSIJ-VHDGCEQUSA-N 2 1 252.402 2.018 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086141824 179236533 /nfs/dbraw/zinc/23/65/33/179236533.db2.gz SELLJXXBAFUDGE-SJLPKXTDSA-N 2 1 287.451 2.149 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](CC)CN1 ZINC000086173664 179244419 /nfs/dbraw/zinc/24/44/19/179244419.db2.gz OOWCMJYAVKIZML-XIRDDKMYSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086173664 179244422 /nfs/dbraw/zinc/24/44/22/179244422.db2.gz OOWCMJYAVKIZML-XIRDDKMYSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223000 179250620 /nfs/dbraw/zinc/25/06/20/179250620.db2.gz MFKFJXXQPKMTJK-DJIMGWMZSA-N 2 1 279.472 2.181 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223919 179252874 /nfs/dbraw/zinc/25/28/74/179252874.db2.gz HHVHQNLXXCHFDZ-USXIJHARSA-N 2 1 273.424 2.116 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223927 179253891 /nfs/dbraw/zinc/25/38/91/179253891.db2.gz RKFLLCXJWZUYFO-BRWVUGGUSA-N 2 1 279.472 2.179 10 0 CEAEMP C[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259326 179257759 /nfs/dbraw/zinc/25/77/59/179257759.db2.gz HYWHHBMJVWYXIV-HOTGVXAUSA-N 2 1 279.472 2.467 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259322 179258113 /nfs/dbraw/zinc/25/81/13/179258113.db2.gz QRDHGLOZGBZUOS-YESZJQIVSA-N 2 1 279.472 2.179 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259673 179259372 /nfs/dbraw/zinc/25/93/72/179259372.db2.gz OITQSJXSBPMXSJ-SJORKVTESA-N 2 1 291.483 2.466 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260739 179260260 /nfs/dbraw/zinc/26/02/60/179260260.db2.gz BLMSOODKICCGGJ-OIISXLGYSA-N 2 1 279.472 2.179 10 0 CEAEMP CC(C)(C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291401 179265109 /nfs/dbraw/zinc/26/51/09/179265109.db2.gz MRKQTFLBUNMGMW-UONOGXRCSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086288688 179264232 /nfs/dbraw/zinc/26/42/32/179264232.db2.gz NDQOSCBQIUQGNL-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@H+]1CC[C@@H](CN2CCC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086288710 179264908 /nfs/dbraw/zinc/26/49/08/179264908.db2.gz SFYMIWCCSALFJB-AEFFLSMTSA-N 2 1 287.451 2.149 10 0 CEAEMP C[N@H+]1CC[C@@H](CN2CCC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086288709 179265032 /nfs/dbraw/zinc/26/50/32/179265032.db2.gz SFYMIWCCSALFJB-SJLPKXTDSA-N 2 1 287.451 2.149 10 0 CEAEMP CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259052 179256925 /nfs/dbraw/zinc/25/69/25/179256925.db2.gz LPIZUJNNCSGGQP-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CC1CC[NH+](C)CC1 ZINC000086259052 179256926 /nfs/dbraw/zinc/25/69/26/179256926.db2.gz LPIZUJNNCSGGQP-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291657 179266967 /nfs/dbraw/zinc/26/69/67/179266967.db2.gz LMBVTENBKFTTNN-PMPSAXMXSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@@H]1CCCc2sc(N(C)[C@@H]3CCC[N@@H+](C)C3)nc21 ZINC000086443085 179293849 /nfs/dbraw/zinc/29/38/49/179293849.db2.gz ZEPFILAZKXIPHG-VXGBXAGGSA-N 2 1 294.468 2.270 10 0 CEAEMP CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)CC[N@H+]1C ZINC000086444161 179294086 /nfs/dbraw/zinc/29/40/86/179294086.db2.gz QAXWFWOZTWIBBS-RYUDHWBXSA-N 2 1 294.468 2.270 10 0 CEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@@H]1Cc2ccccc21 ZINC000086488854 179302462 /nfs/dbraw/zinc/30/24/62/179302462.db2.gz NLRXLFQZRVKHAM-HUUCEWRRSA-N 2 1 253.349 2.134 10 0 CEAEMP CCOC(=O)C[C@@]1([NH+]2CCCCC2)CCC[N@@H+](C)CC1 ZINC000086834411 179349416 /nfs/dbraw/zinc/34/94/16/179349416.db2.gz FGMHNWJJIOSOBP-MRXNPFEDSA-N 2 1 282.428 2.280 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850901 179357663 /nfs/dbraw/zinc/35/76/63/179357663.db2.gz RFONXRDUVFCYKE-YESZJQIVSA-N 2 1 279.472 2.467 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837157 179351530 /nfs/dbraw/zinc/35/15/30/179351530.db2.gz AIUBWRADBQHKIV-OAHLLOKOSA-N 2 1 264.417 2.126 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843734 179352506 /nfs/dbraw/zinc/35/25/06/179352506.db2.gz DYYAQKIZTXVSJY-OAHLLOKOSA-N 3 1 255.450 2.182 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840837 179352861 /nfs/dbraw/zinc/35/28/61/179352861.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840837 179352862 /nfs/dbraw/zinc/35/28/62/179352862.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840837 179352865 /nfs/dbraw/zinc/35/28/65/179352865.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840837 179352866 /nfs/dbraw/zinc/35/28/66/179352866.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 3 1 279.472 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840837 179352869 /nfs/dbraw/zinc/35/28/69/179352869.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 3 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840837 179352871 /nfs/dbraw/zinc/35/28/71/179352871.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 3 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840837 179352874 /nfs/dbraw/zinc/35/28/74/179352874.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 3 1 279.472 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845899 179354502 /nfs/dbraw/zinc/35/45/02/179354502.db2.gz FPRBVMUXTRXBNZ-JYJNAYRXSA-N 2 1 268.445 2.392 10 0 CEAEMP CCOC(=O)C[C@@]1([NH+]2CCCC2)CCC[N@@H+](CC)CC1 ZINC000086868522 179360991 /nfs/dbraw/zinc/36/09/91/179360991.db2.gz MVADIOHKCDFKQA-MRXNPFEDSA-N 2 1 282.428 2.280 10 0 CEAEMP Cc1cccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCOCC2)c1 ZINC000086875074 179364931 /nfs/dbraw/zinc/36/49/31/179364931.db2.gz DVGJDSBVTCAIEJ-INIZCTEOSA-N 2 1 262.397 2.325 10 0 CEAEMP Cc1cccc(C[N@H+](C)[C@@]2(C[NH3+])CCCOCC2)c1 ZINC000086875074 179364934 /nfs/dbraw/zinc/36/49/34/179364934.db2.gz DVGJDSBVTCAIEJ-INIZCTEOSA-N 2 1 262.397 2.325 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000086890953 179366298 /nfs/dbraw/zinc/36/62/98/179366298.db2.gz WLESKRAOAQFERQ-ILXRZTDVSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])([N@H+]2CCCOCC2)CC1 ZINC000086913250 179367144 /nfs/dbraw/zinc/36/71/44/179367144.db2.gz DQMXTCKYTONDAO-LSDHHAIUSA-N 2 1 254.418 2.397 10 0 CEAEMP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000087045139 179388158 /nfs/dbraw/zinc/38/81/58/179388158.db2.gz JTTCUVWSLGWFPA-PYBGIAKNSA-N 2 1 268.445 2.248 10 0 CEAEMP CC1CCC(O)(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000087044472 179388184 /nfs/dbraw/zinc/38/81/84/179388184.db2.gz PPDXQJSZBMBUDG-ZMUBYXEMSA-N 2 1 268.445 2.246 10 0 CEAEMP CCC[NH+]1CCC(O)(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000087165817 179398458 /nfs/dbraw/zinc/39/84/58/179398458.db2.gz YNRXOPWSNQQXEF-UHFFFAOYSA-N 2 1 292.423 2.486 10 0 CEAEMP CN1CC[N@@H+](CC2(CC(N)=[NH2+])CC2)[C@H](c2ccccc2)C1 ZINC000088258120 179571749 /nfs/dbraw/zinc/57/17/49/179571749.db2.gz FOXGZOVXXCHADX-HNNXBMFYSA-N 2 1 286.423 2.081 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1cccc(OC)c1 ZINC000090566334 180005526 /nfs/dbraw/zinc/00/55/26/180005526.db2.gz TUTOQDSEZLGBFF-NVXWUHKLSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1cccc(OC)c1 ZINC000090566334 180005528 /nfs/dbraw/zinc/00/55/28/180005528.db2.gz TUTOQDSEZLGBFF-NVXWUHKLSA-N 2 1 292.423 2.142 10 0 CEAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090876271 180051810 /nfs/dbraw/zinc/05/18/10/180051810.db2.gz RBIRZJYSZRFUBH-HIFRSBDPSA-N 2 1 260.381 2.051 10 0 CEAEMP CC(C)[N@@H+](CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879150 180052666 /nfs/dbraw/zinc/05/26/66/180052666.db2.gz DDXBHFKXUXFSQP-AWEZNQCLSA-N 2 1 266.360 2.188 10 0 CEAEMP CC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C(C)(C)C[NH3+] ZINC000090879188 180053063 /nfs/dbraw/zinc/05/30/63/180053063.db2.gz XKZBWSVVJYVAQH-ZDUSSCGKSA-N 2 1 266.360 2.188 10 0 CEAEMP CC[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)C(C)(C)C[NH3+] ZINC000090879188 180053065 /nfs/dbraw/zinc/05/30/65/180053065.db2.gz XKZBWSVVJYVAQH-ZDUSSCGKSA-N 2 1 266.360 2.188 10 0 CEAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879179 180053161 /nfs/dbraw/zinc/05/31/61/180053161.db2.gz PKMLMISBEBAKQB-OAHLLOKOSA-N 2 1 280.387 2.436 10 0 CEAEMP CC[C@@](C)(C[NH3+])[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377208 539759250 /nfs/dbraw/zinc/75/92/50/539759250.db2.gz JKUUEVKERJUDRF-DLBZAZTESA-N 2 1 276.424 2.389 10 0 CEAEMP CCn1c[nH+]cc1Cn1cccc1C[NH2+]CC(C)C ZINC000091002001 180083782 /nfs/dbraw/zinc/08/37/82/180083782.db2.gz PSONRJOVNGLZDN-UHFFFAOYSA-N 2 1 260.385 2.498 10 0 CEAEMP CCn1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000091012637 180086395 /nfs/dbraw/zinc/08/63/95/180086395.db2.gz RSXORRNGGPUBSS-MQVJKMGUSA-N 2 1 261.413 2.470 10 0 CEAEMP CC[NH2+]Cc1cn(Cc2c[nH+]cn2CC)c2ncccc12 ZINC000091020230 180087694 /nfs/dbraw/zinc/08/76/94/180087694.db2.gz KDGSAXVJMFVDBU-UHFFFAOYSA-N 2 1 283.379 2.411 10 0 CEAEMP C[C@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)[C@@H]1C[NH3+] ZINC000091019747 180088168 /nfs/dbraw/zinc/08/81/68/180088168.db2.gz KUVXFUJGDBSJKD-SMDDNHRTSA-N 2 1 258.369 2.122 10 0 CEAEMP C[C@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)[C@@H]1C[NH3+] ZINC000091019747 180088170 /nfs/dbraw/zinc/08/81/70/180088170.db2.gz KUVXFUJGDBSJKD-SMDDNHRTSA-N 2 1 258.369 2.122 10 0 CEAEMP C[C@@H](c1cccs1)[N@@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091313899 180132664 /nfs/dbraw/zinc/13/26/64/180132664.db2.gz OMCJZCBYQFCZQU-NWDGAFQWSA-N 2 1 254.399 2.119 10 0 CEAEMP CC(C)n1cncc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000091273046 180118040 /nfs/dbraw/zinc/11/80/40/180118040.db2.gz FKMKFOKVMQXRQM-OLZOCXBDSA-N 2 1 250.390 2.023 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000091273046 180118041 /nfs/dbraw/zinc/11/80/41/180118041.db2.gz FKMKFOKVMQXRQM-OLZOCXBDSA-N 2 1 250.390 2.023 10 0 CEAEMP C[N@H+](Cc1cncn1C1CC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091277114 180119577 /nfs/dbraw/zinc/11/95/77/180119577.db2.gz MPVAFTJIMGCYHT-DOMZBBRYSA-N 2 1 262.401 2.167 10 0 CEAEMP C[N@@H+](Cc1cncn1C1CC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091277114 180119578 /nfs/dbraw/zinc/11/95/78/180119578.db2.gz MPVAFTJIMGCYHT-DOMZBBRYSA-N 2 1 262.401 2.167 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@H](C)C[N@@H+](C)CC1CC(O)C1 ZINC000091489230 180168833 /nfs/dbraw/zinc/16/88/33/180168833.db2.gz STMNKRIXFVCRSA-LYSZQXJVSA-N 2 1 276.424 2.286 10 0 CEAEMP CCc1cc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000091564526 180193475 /nfs/dbraw/zinc/19/34/75/180193475.db2.gz UVQWADLUJHVZDQ-OAHLLOKOSA-N 2 1 278.444 2.117 10 0 CEAEMP C[NH+](C)C(C)(C)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC000091528405 180179421 /nfs/dbraw/zinc/17/94/21/180179421.db2.gz WBXRJEDOAMIKBA-OAHLLOKOSA-N 2 1 257.381 2.445 10 0 CEAEMP CC[NH2+][C@@H](Cc1ccccn1)C1([NH+](C)C)CCCC1 ZINC000091637925 180212637 /nfs/dbraw/zinc/21/26/37/180212637.db2.gz WNLJJYPXHUTQCE-HNNXBMFYSA-N 2 1 261.413 2.477 10 0 CEAEMP CC1CCC([C@@H](O)Cc2cc[nH+]c(N)c2)([NH+](C)C)CC1 ZINC000091648456 180216089 /nfs/dbraw/zinc/21/60/89/180216089.db2.gz CQUZEHAYSFABND-UGWHAMFMSA-N 2 1 277.412 2.078 10 0 CEAEMP C[NH+](C)C1([C@@H](O)Cc2cc[nH+]c(N)c2)CCCCCC1 ZINC000091653812 180217011 /nfs/dbraw/zinc/21/70/11/180217011.db2.gz DCLIOKJJPWVBKO-AWEZNQCLSA-N 2 1 277.412 2.222 10 0 CEAEMP C[NH2+][C@H](CCC(C)(C)C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721289 180238397 /nfs/dbraw/zinc/23/83/97/180238397.db2.gz ZTCFZNOKIRZQAI-MCIONIFRSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+][C@H](CCC(C)(C)C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721289 180238398 /nfs/dbraw/zinc/23/83/98/180238398.db2.gz ZTCFZNOKIRZQAI-MCIONIFRSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@H](CC1CCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722029 180240526 /nfs/dbraw/zinc/24/05/26/180240526.db2.gz OLRYOAXKPZUHSU-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+][C@H](CC1CCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722029 180240528 /nfs/dbraw/zinc/24/05/28/180240528.db2.gz OLRYOAXKPZUHSU-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[N@@H+](CCOCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091850886 180271895 /nfs/dbraw/zinc/27/18/95/180271895.db2.gz GAXAUAWUFARDQX-UHFFFAOYSA-N 2 1 268.323 2.157 10 0 CEAEMP CC[N@@H+](Cc1c(Cl)c(C)nn1C)C1CCC([NH3+])CC1 ZINC000091850795 180272306 /nfs/dbraw/zinc/27/23/06/180272306.db2.gz SZXPJFIRIZVPJQ-UHFFFAOYSA-N 2 1 284.835 2.474 10 0 CEAEMP CC[NH2+]C1CCC([N@H+](C)Cc2ncnn2C(C)C)CC1 ZINC000091870238 180277228 /nfs/dbraw/zinc/27/72/28/180277228.db2.gz XEMTXWAOAOBNME-UHFFFAOYSA-N 2 1 279.432 2.212 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)Cc2ncnn2C(C)C)CC1 ZINC000091870238 180277230 /nfs/dbraw/zinc/27/72/30/180277230.db2.gz XEMTXWAOAOBNME-UHFFFAOYSA-N 2 1 279.432 2.212 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cncn2C(C)C)CC1 ZINC000091871222 180277432 /nfs/dbraw/zinc/27/74/32/180277432.db2.gz GPFRWKBQXNAVJU-UHFFFAOYSA-N 2 1 264.417 2.426 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COC2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000092050581 180312018 /nfs/dbraw/zinc/31/20/18/180312018.db2.gz AMILAPMKLMRHCX-AWEZNQCLSA-N 2 1 284.444 2.021 10 0 CEAEMP CC[N@H+]1CCO[C@H](COC2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000092050581 180312019 /nfs/dbraw/zinc/31/20/19/180312019.db2.gz AMILAPMKLMRHCX-AWEZNQCLSA-N 2 1 284.444 2.021 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2c(C)cc(C[NH2+]C)cc2C)C1 ZINC000092051018 180312035 /nfs/dbraw/zinc/31/20/35/180312035.db2.gz ZBYMPDMAHHVHDB-INIZCTEOSA-N 2 1 292.423 2.122 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2c(C)cc(C[NH2+]C)cc2C)C1 ZINC000092051018 180312036 /nfs/dbraw/zinc/31/20/36/180312036.db2.gz ZBYMPDMAHHVHDB-INIZCTEOSA-N 2 1 292.423 2.122 10 0 CEAEMP CC(C)C[NH2+]CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092002990 180304200 /nfs/dbraw/zinc/30/42/00/180304200.db2.gz YXWRJKTYLLXUIC-CVEARBPZSA-N 2 1 281.488 2.427 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092002289 180304703 /nfs/dbraw/zinc/30/47/03/180304703.db2.gz NAYAXCTWDCUUHR-CABCVRRESA-N 2 1 295.471 2.227 10 0 CEAEMP C[C@H]1C[N@@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000092082224 180319867 /nfs/dbraw/zinc/31/98/67/180319867.db2.gz DBEOERFLYPRFHY-OKILXGFUSA-N 2 1 289.423 2.452 10 0 CEAEMP C[N@@H+](C[C@@H]1COc2ccccc21)C1CCC([NH3+])CC1 ZINC000092298087 180358875 /nfs/dbraw/zinc/35/88/75/180358875.db2.gz QGJQLHQIVYLVPX-IYXRBSQSSA-N 2 1 260.381 2.364 10 0 CEAEMP CCC[NH2+][C@H](CN(C)C[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000092626736 180419344 /nfs/dbraw/zinc/41/93/44/180419344.db2.gz KMMAWEHQVCCNFR-LSDHHAIUSA-N 2 1 269.477 2.427 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604158 186268137 /nfs/dbraw/zinc/26/81/37/186268137.db2.gz MTINICOKYCEVRE-CVEARBPZSA-N 2 1 290.407 2.494 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1C[NH3+] ZINC000110459600 186297001 /nfs/dbraw/zinc/29/70/01/186297001.db2.gz IOFFOPVWDWDOGK-LLVKDONJSA-N 2 1 267.804 2.187 10 0 CEAEMP C[N@@H+](CCNC(=O)CC1CCC(C[NH3+])CC1)C1CCCC1 ZINC000110618412 186305132 /nfs/dbraw/zinc/30/51/32/186305132.db2.gz OKSVBILGUMEYBZ-UHFFFAOYSA-N 2 1 295.471 2.132 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840797 186328745 /nfs/dbraw/zinc/32/87/45/186328745.db2.gz IZKRSUPYPZHNMU-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)CC1CCCC1)C(=O)OC ZINC000110840797 186328747 /nfs/dbraw/zinc/32/87/47/186328747.db2.gz IZKRSUPYPZHNMU-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH3+])c2cccc3ccccc32)CC[N@H+]1C ZINC000110708476 186313743 /nfs/dbraw/zinc/31/37/43/186313743.db2.gz LUMXZPOGNXNPQA-KSSFIOAISA-N 2 1 283.419 2.476 10 0 CEAEMP C[C@H](C[C@@H](C[NH3+])N1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000110708030 186313833 /nfs/dbraw/zinc/31/38/33/186313833.db2.gz UAWHOMHYYUQPTJ-VYDXJSESSA-N 2 1 275.440 2.143 10 0 CEAEMP Cc1cccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704714 186314081 /nfs/dbraw/zinc/31/40/81/186314081.db2.gz UQQQEDVDVVNXHW-OAHLLOKOSA-N 2 1 261.413 2.021 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000110707170 186314575 /nfs/dbraw/zinc/31/45/75/186314575.db2.gz OTLNSOODKGOSSJ-HZMBPMFUSA-N 2 1 285.794 2.115 10 0 CEAEMP COc1ccccc1[C@@H]([C@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705121 186314677 /nfs/dbraw/zinc/31/46/77/186314677.db2.gz XMHHMZWUWBYCGN-XJKSGUPXSA-N 2 1 291.439 2.110 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110704946 186315128 /nfs/dbraw/zinc/31/51/28/186315128.db2.gz OBQQSZLSJGXMJY-GFCCVEGCSA-N 2 1 267.442 2.082 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)CC[N@H+]1C ZINC000110710528 186315515 /nfs/dbraw/zinc/31/55/15/186315515.db2.gz MXTBPAZAFRIGEY-YJNKXOJESA-N 2 1 291.439 2.429 10 0 CEAEMP CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC[N@H+]1C ZINC000110716105 186316116 /nfs/dbraw/zinc/31/61/16/186316116.db2.gz KCPLTJZELKCTLE-OWCLPIDISA-N 2 1 267.461 2.323 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])[C@@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716407 186316392 /nfs/dbraw/zinc/31/63/92/186316392.db2.gz ITWLNTWQYGAOBM-ZBFHGGJFSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[N@H+]1CCN(CC2(C[NH2+]C)CCCCC2)C[C@@H]1C ZINC000110745645 186318643 /nfs/dbraw/zinc/31/86/43/186318643.db2.gz JUSLRBURHWVZTC-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH2+]C[C@@H](c1ccccc1)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110754551 186320402 /nfs/dbraw/zinc/32/04/02/186320402.db2.gz MIQJMEKDJSJYIZ-IRXDYDNUSA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](CC)CCOCC)CCOCC1 ZINC000111123025 186355470 /nfs/dbraw/zinc/35/54/70/186355470.db2.gz GZGWPROKTICLBJ-UHFFFAOYSA-N 2 1 286.460 2.141 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(OCC[N@H+](C)CCN(C)C)c1 ZINC000111149537 186358369 /nfs/dbraw/zinc/35/83/69/186358369.db2.gz RXVVOGYEDQDNEZ-UHFFFAOYSA-N 2 1 293.455 2.057 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(OCC[N@@H+](C)CCN(C)C)c1 ZINC000111149537 186358371 /nfs/dbraw/zinc/35/83/71/186358371.db2.gz RXVVOGYEDQDNEZ-UHFFFAOYSA-N 2 1 293.455 2.057 10 0 CEAEMP Cc1ccc([C@@H](O)[C@@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143918 186358483 /nfs/dbraw/zinc/35/84/83/186358483.db2.gz ZULADHGJVIQDLU-ZBFHGGJFSA-N 2 1 264.413 2.300 10 0 CEAEMP Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143918 186358485 /nfs/dbraw/zinc/35/84/85/186358485.db2.gz ZULADHGJVIQDLU-ZBFHGGJFSA-N 2 1 264.413 2.300 10 0 CEAEMP CCc1ccc([C@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143897 186358931 /nfs/dbraw/zinc/35/89/31/186358931.db2.gz QDFHJQFRUCUHAW-MRXNPFEDSA-N 2 1 264.413 2.166 10 0 CEAEMP CCc1ccc([C@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143897 186358932 /nfs/dbraw/zinc/35/89/32/186358932.db2.gz QDFHJQFRUCUHAW-MRXNPFEDSA-N 2 1 264.413 2.166 10 0 CEAEMP CC(C)C[NH2+]Cc1ccccc1C[N@H+](C)CCN(C)C ZINC000111149803 186360180 /nfs/dbraw/zinc/36/01/80/186360180.db2.gz IQEOIILGYVKAPW-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+](C)CCN(C)C ZINC000111149803 186360182 /nfs/dbraw/zinc/36/01/82/186360182.db2.gz IQEOIILGYVKAPW-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCOCC2)O1 ZINC000111175558 186365218 /nfs/dbraw/zinc/36/52/18/186365218.db2.gz RCZWXHCGEDMDQY-DLBZAZTESA-N 2 1 298.471 2.138 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCOC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111171475 186365697 /nfs/dbraw/zinc/36/56/97/186365697.db2.gz RRKSDEICSHNDRD-ZDUSSCGKSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)CC[NH2+]C[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111176118 186365875 /nfs/dbraw/zinc/36/58/75/186365875.db2.gz SFFMOOKJWCUQEW-CABCVRRESA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)CC[NH2+]C[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111176118 186365877 /nfs/dbraw/zinc/36/58/77/186365877.db2.gz SFFMOOKJWCUQEW-CABCVRRESA-N 2 1 256.434 2.369 10 0 CEAEMP [NH3+]C[C@@H]([C@@H]1CCCOC1)[N@@H+]1CCCc2ccccc2C1 ZINC000111321251 186397299 /nfs/dbraw/zinc/39/72/99/186397299.db2.gz CHIPBBBWLACGJF-SJORKVTESA-N 2 1 274.408 2.189 10 0 CEAEMP [NH3+]C[C@@H]([C@@H]1CCCOC1)[N@H+]1CCCc2ccccc2C1 ZINC000111321251 186397301 /nfs/dbraw/zinc/39/73/01/186397301.db2.gz CHIPBBBWLACGJF-SJORKVTESA-N 2 1 274.408 2.189 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325456 186398471 /nfs/dbraw/zinc/39/84/71/186398471.db2.gz DBVXUIUELQRZIX-LSDHHAIUSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[N@@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324686 186398485 /nfs/dbraw/zinc/39/84/85/186398485.db2.gz SHQLNLVCPGMJGI-OAHLLOKOSA-N 2 1 252.402 2.020 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326446 186399011 /nfs/dbraw/zinc/39/90/11/186399011.db2.gz ZYAGXVILLGYHCL-DLBZAZTESA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](C)[C@@H]2CCSC2)CCCOC1 ZINC000111325030 186399177 /nfs/dbraw/zinc/39/91/77/186399177.db2.gz HYQQWMGSTAKQLH-CABCVRRESA-N 2 1 286.485 2.220 10 0 CEAEMP CO[C@H]1C[N@H+](Cc2c(C)cccc2C)[C@@](C)(C[NH3+])C1 ZINC000630361688 351711741 /nfs/dbraw/zinc/71/17/41/351711741.db2.gz VEWBPDCSVNPKHN-GDBMZVCRSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@H]1C[N@@H+](Cc2c(C)cccc2C)[C@@](C)(C[NH3+])C1 ZINC000630361688 351711744 /nfs/dbraw/zinc/71/17/44/351711744.db2.gz VEWBPDCSVNPKHN-GDBMZVCRSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@@H]1C[N@H+](CCCCC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363393 351711830 /nfs/dbraw/zinc/71/18/30/351711830.db2.gz BEKMOOPMZFDBIH-JKSUJKDBSA-N 2 1 284.444 2.021 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCCCC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363393 351711833 /nfs/dbraw/zinc/71/18/33/351711833.db2.gz BEKMOOPMZFDBIH-JKSUJKDBSA-N 2 1 284.444 2.021 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630369559 351714417 /nfs/dbraw/zinc/71/44/17/351714417.db2.gz WJHCKBUZBGMYIT-ZFWWWQNUSA-N 2 1 254.418 2.251 10 0 CEAEMP Cc1cccc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)[nH+]1 ZINC000630527122 351773348 /nfs/dbraw/zinc/77/33/48/351773348.db2.gz HUGHAXKUSJUSBK-WDEREUQCSA-N 2 1 273.302 2.354 10 0 CEAEMP O[C@H](C[NH2+][C@@H]1CCc2ccccc21)C[NH+]1CCCCC1 ZINC000151268124 366634550 /nfs/dbraw/zinc/63/45/50/366634550.db2.gz XEWQHMFVPSDGGS-NVXWUHKLSA-N 2 1 274.408 2.110 10 0 CEAEMP Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(C(C)C)n1 ZINC000154781337 366789419 /nfs/dbraw/zinc/78/94/19/366789419.db2.gz YRLVQAJCRQFJIU-STQMWFEESA-N 2 1 278.400 2.039 10 0 CEAEMP Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nc(C(C)C)n1 ZINC000154781648 366790188 /nfs/dbraw/zinc/79/01/88/366790188.db2.gz YRLVQAJCRQFJIU-CHWSQXEVSA-N 2 1 278.400 2.039 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000113270806 364882201 /nfs/dbraw/zinc/88/22/01/364882201.db2.gz SQTNRICLTRVFLI-DZGCQCFKSA-N 2 1 289.423 2.376 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113270806 364882206 /nfs/dbraw/zinc/88/22/06/364882206.db2.gz SQTNRICLTRVFLI-DZGCQCFKSA-N 2 1 289.423 2.376 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840097 367581440 /nfs/dbraw/zinc/58/14/40/367581440.db2.gz PKBZBXCVMAWWFY-YPMHNXCESA-N 2 1 273.355 2.401 10 0 CEAEMP C[C@H]1C[N@@H+](CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000631840214 367581474 /nfs/dbraw/zinc/58/14/74/367581474.db2.gz ASJAQVGCMHGQES-STQMWFEESA-N 2 1 250.411 2.305 10 0 CEAEMP C[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631842937 367583746 /nfs/dbraw/zinc/58/37/46/367583746.db2.gz HPQOQYZEZWQSMZ-NEPJUHHUSA-N 2 1 268.788 2.245 10 0 CEAEMP C[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631842937 367583751 /nfs/dbraw/zinc/58/37/51/367583751.db2.gz HPQOQYZEZWQSMZ-NEPJUHHUSA-N 2 1 268.788 2.245 10 0 CEAEMP C[N@@H+](Cc1cnc2ccccn12)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914412 541608925 /nfs/dbraw/zinc/60/89/25/541608925.db2.gz FOANSENEVYJKIA-CQSZACIVSA-N 2 1 295.390 2.225 10 0 CEAEMP C[N@H+](Cc1cnc2ccccn12)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914412 541608926 /nfs/dbraw/zinc/60/89/26/541608926.db2.gz FOANSENEVYJKIA-CQSZACIVSA-N 2 1 295.390 2.225 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000231453775 370479539 /nfs/dbraw/zinc/47/95/39/370479539.db2.gz BEWKMAKIHSGORV-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP Cc1ncsc1CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670202 370486997 /nfs/dbraw/zinc/48/69/97/370486997.db2.gz YQIMMLCKKWSHBH-LBPRGKRZSA-N 2 1 253.415 2.068 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]12 ZINC000261584436 371663289 /nfs/dbraw/zinc/66/32/89/371663289.db2.gz SFORLBIIKMLYOC-MISXGVKJSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]12 ZINC000261584436 371663294 /nfs/dbraw/zinc/66/32/94/371663294.db2.gz SFORLBIIKMLYOC-MISXGVKJSA-N 2 1 252.308 2.134 10 0 CEAEMP CCn1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC000261739985 371716148 /nfs/dbraw/zinc/71/61/48/371716148.db2.gz SBSVDLLNEFWAIU-NWANDNLSSA-N 2 1 284.407 2.225 10 0 CEAEMP CCn1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC000261739985 371716154 /nfs/dbraw/zinc/71/61/54/371716154.db2.gz SBSVDLLNEFWAIU-NWANDNLSSA-N 2 1 284.407 2.225 10 0 CEAEMP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261845307 371749993 /nfs/dbraw/zinc/74/99/93/371749993.db2.gz ASSHNRUKXVVHHJ-DJIMGWMZSA-N 2 1 292.398 2.115 10 0 CEAEMP O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262025072 371802855 /nfs/dbraw/zinc/80/28/55/371802855.db2.gz WOCWNZYLNNRQDS-CJNGLKHVSA-N 2 1 296.361 2.072 10 0 CEAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262044567 371811541 /nfs/dbraw/zinc/81/15/41/371811541.db2.gz PNWHHDZNPQQOIH-PBHICJAKSA-N 2 1 274.408 2.484 10 0 CEAEMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000520793843 379503778 /nfs/dbraw/zinc/50/37/78/379503778.db2.gz LMRGSNMODHOYFS-RDJZCZTQSA-N 2 1 275.440 2.096 10 0 CEAEMP CC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093618246 184696615 /nfs/dbraw/zinc/69/66/15/184696615.db2.gz RXHKLNWITOSIMC-OLZOCXBDSA-N 2 1 296.377 2.401 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000094458837 184804593 /nfs/dbraw/zinc/80/45/93/184804593.db2.gz NOSUDIUGPLQNSD-IAGOWNOFSA-N 2 1 273.424 2.083 10 0 CEAEMP COc1ccccc1N1CC[NH+](CC(C)(C)[C@@H](C)[NH3+])CC1 ZINC000091402564 135068748 /nfs/dbraw/zinc/06/87/48/135068748.db2.gz NTWSEBLQZGQSSV-CQSZACIVSA-N 2 1 291.439 2.191 10 0 CEAEMP C[NH2+][C@@H](C)C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000091402383 135068898 /nfs/dbraw/zinc/06/88/98/135068898.db2.gz GHOHFPGQAZFRGI-HNNXBMFYSA-N 2 1 275.440 2.443 10 0 CEAEMP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000093068596 135078952 /nfs/dbraw/zinc/07/89/52/135078952.db2.gz NSXMVKVPKOQDGX-LSDHHAIUSA-N 2 1 291.439 2.061 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000093068621 135078976 /nfs/dbraw/zinc/07/89/76/135078976.db2.gz JNAOWJRRXDHMAB-HUUCEWRRSA-N 2 1 291.439 2.061 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093068326 135079191 /nfs/dbraw/zinc/07/91/91/135079191.db2.gz LCVDUGBUOAOYIC-CABCVRRESA-N 2 1 261.413 2.053 10 0 CEAEMP Cc1ccc(C[NH3+])c(N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000094438322 135088022 /nfs/dbraw/zinc/08/80/22/135088022.db2.gz LZDABSBXSANODL-OAHLLOKOSA-N 2 1 259.397 2.128 10 0 CEAEMP CC[NH2+]Cc1ccnc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000094443268 135088442 /nfs/dbraw/zinc/08/84/42/135088442.db2.gz CDSDCCZCGPVAAF-HOCLYGCPSA-N 2 1 288.439 2.254 10 0 CEAEMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000246248983 394512444 /nfs/dbraw/zinc/51/24/44/394512444.db2.gz SJHZBMAITTVDSP-KBPBESRZSA-N 2 1 285.391 2.126 10 0 CEAEMP COCC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000380945974 395170530 /nfs/dbraw/zinc/17/05/30/395170530.db2.gz COLKMNMBBJJHBG-BMFZPTHFSA-N 2 1 262.397 2.086 10 0 CEAEMP CCC[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000179397783 395193780 /nfs/dbraw/zinc/19/37/80/395193780.db2.gz VJFBVFBDQAFZCE-MRXNPFEDSA-N 2 1 295.471 2.194 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)C[C@@H]12 ZINC000389156001 400537101 /nfs/dbraw/zinc/53/71/01/400537101.db2.gz YAIFTVRPCIQIOW-KBUPBQIOSA-N 2 1 264.413 2.147 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000189436111 153095304 /nfs/dbraw/zinc/09/53/04/153095304.db2.gz AFBRTVHQIPEMQM-AWEZNQCLSA-N 2 1 274.343 2.390 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)nc1 ZINC000189436111 153095307 /nfs/dbraw/zinc/09/53/07/153095307.db2.gz AFBRTVHQIPEMQM-AWEZNQCLSA-N 2 1 274.343 2.390 10 0 CEAEMP COCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516305 153292104 /nfs/dbraw/zinc/29/21/04/153292104.db2.gz QKHPEYCNWKQVMP-CQSZACIVSA-N 2 1 263.385 2.160 10 0 CEAEMP COCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516305 153292106 /nfs/dbraw/zinc/29/21/06/153292106.db2.gz QKHPEYCNWKQVMP-CQSZACIVSA-N 2 1 263.385 2.160 10 0 CEAEMP CCN(CC)C(=O)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020367505 171165685 /nfs/dbraw/zinc/16/56/85/171165685.db2.gz XLPIEPCPHBJCSK-GJZGRUSLSA-N 2 1 283.460 2.097 10 0 CEAEMP CCN(CC)C(=O)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020367505 171165686 /nfs/dbraw/zinc/16/56/86/171165686.db2.gz XLPIEPCPHBJCSK-GJZGRUSLSA-N 2 1 283.460 2.097 10 0 CEAEMP C[N@@H+](Cc1ccc(C[NH3+])cc1F)[C@H]1CCSC1 ZINC000035725210 172380250 /nfs/dbraw/zinc/38/02/50/172380250.db2.gz BOJHIYPTHMMICF-LBPRGKRZSA-N 2 1 254.374 2.222 10 0 CEAEMP CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209990 173031433 /nfs/dbraw/zinc/03/14/33/173031433.db2.gz QZVWEXSRUGVTOC-LSDHHAIUSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037209990 173031434 /nfs/dbraw/zinc/03/14/34/173031434.db2.gz QZVWEXSRUGVTOC-LSDHHAIUSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209990 173031438 /nfs/dbraw/zinc/03/14/38/173031438.db2.gz QZVWEXSRUGVTOC-LSDHHAIUSA-N 3 1 255.450 2.038 10 0 CEAEMP Cc1csc2nc(C)c(C[NH2+]CCC[NH+](C)C)n12 ZINC000037213633 173034297 /nfs/dbraw/zinc/03/42/97/173034297.db2.gz WPNSERCLLAPOOI-UHFFFAOYSA-N 2 1 266.414 2.054 10 0 CEAEMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000037301928 173107589 /nfs/dbraw/zinc/10/75/89/173107589.db2.gz AAYOYEOVLJVXPK-UHFFFAOYSA-N 2 1 264.369 2.093 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCc3c(N)cccc3C1)C2 ZINC000038032449 174028534 /nfs/dbraw/zinc/02/85/34/174028534.db2.gz JFVQQOLPJHLVGQ-YIONKMFJSA-N 2 1 271.408 2.252 10 0 CEAEMP C[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCc3c(N)cccc3C1)C2 ZINC000038032449 174028535 /nfs/dbraw/zinc/02/85/35/174028535.db2.gz JFVQQOLPJHLVGQ-YIONKMFJSA-N 2 1 271.408 2.252 10 0 CEAEMP C[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCc3c(N)cccc3C1)C2 ZINC000038032449 174028537 /nfs/dbraw/zinc/02/85/37/174028537.db2.gz JFVQQOLPJHLVGQ-YIONKMFJSA-N 2 1 271.408 2.252 10 0 CEAEMP CC[N@@H+]1CC[C@H](CNc2[nH+]c(C)cc(C)c2C(N)=S)C1 ZINC000040514881 174306614 /nfs/dbraw/zinc/30/66/14/174306614.db2.gz KUFXNIRKOTUMNH-GFCCVEGCSA-N 2 1 292.452 2.086 10 0 CEAEMP CC[N@H+]1CC[C@H](CNc2[nH+]c(C)cc(C)c2C(N)=S)C1 ZINC000040514881 174306615 /nfs/dbraw/zinc/30/66/15/174306615.db2.gz KUFXNIRKOTUMNH-GFCCVEGCSA-N 2 1 292.452 2.086 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)C1 ZINC000040672689 174370235 /nfs/dbraw/zinc/37/02/35/174370235.db2.gz YBXDWABRYNAJKV-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000040672689 174370236 /nfs/dbraw/zinc/37/02/36/174370236.db2.gz YBXDWABRYNAJKV-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000040672689 174370238 /nfs/dbraw/zinc/37/02/38/174370238.db2.gz YBXDWABRYNAJKV-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000040672689 174370239 /nfs/dbraw/zinc/37/02/39/174370239.db2.gz YBXDWABRYNAJKV-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@H]([C@@H](C)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040672689 174370241 /nfs/dbraw/zinc/37/02/41/174370241.db2.gz YBXDWABRYNAJKV-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CCCC[N@H+](CC)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043817636 175113484 /nfs/dbraw/zinc/11/34/84/175113484.db2.gz UELQGOILRWAPHK-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CCCC[N@@H+](CC)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043817636 175113486 /nfs/dbraw/zinc/11/34/86/175113486.db2.gz UELQGOILRWAPHK-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)CC(C)C)OCCO2 ZINC000043887108 175117746 /nfs/dbraw/zinc/11/77/46/175117746.db2.gz PSUREDJIZWGWBO-CABCVRRESA-N 2 1 284.444 2.238 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)CC(C)C)OCCO2 ZINC000043887108 175117747 /nfs/dbraw/zinc/11/77/47/175117747.db2.gz PSUREDJIZWGWBO-CABCVRRESA-N 2 1 284.444 2.238 10 0 CEAEMP CCOC1CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906898 175122687 /nfs/dbraw/zinc/12/26/87/175122687.db2.gz ZZZWKXNVKUFMMP-QEJZJMRPSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@@H](CC)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970787 175131701 /nfs/dbraw/zinc/13/17/01/175131701.db2.gz SBDIJELGMVZWOJ-ZBFHGGJFSA-N 3 1 269.477 2.427 10 0 CEAEMP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970875 175132097 /nfs/dbraw/zinc/13/20/97/175132097.db2.gz VHBUWDMTJVWJHX-CVEARBPZSA-N 2 1 286.460 2.282 10 0 CEAEMP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970875 175132098 /nfs/dbraw/zinc/13/20/98/175132098.db2.gz VHBUWDMTJVWJHX-CVEARBPZSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970781 175132132 /nfs/dbraw/zinc/13/21/32/175132132.db2.gz FSPDNYNUPAMVJV-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CCO[C@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971361 175132969 /nfs/dbraw/zinc/13/29/69/175132969.db2.gz PBPSBPBPTYPUDE-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCO[C@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971361 175132970 /nfs/dbraw/zinc/13/29/70/175132970.db2.gz PBPSBPBPTYPUDE-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000045171441 175321193 /nfs/dbraw/zinc/32/11/93/175321193.db2.gz RQRRCUOPBLFXED-RISCZKNCSA-N 2 1 276.428 2.172 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000045172735 175321923 /nfs/dbraw/zinc/32/19/23/175321923.db2.gz PYMBWAJMJHEGDQ-SMDDNHRTSA-N 2 1 264.417 2.029 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000045172735 175321924 /nfs/dbraw/zinc/32/19/24/175321924.db2.gz PYMBWAJMJHEGDQ-SMDDNHRTSA-N 2 1 264.417 2.029 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[NH+]1CCCCCCC1 ZINC000045371538 175364249 /nfs/dbraw/zinc/36/42/49/175364249.db2.gz ABMHQPCHYLLDOT-OAHLLOKOSA-N 2 1 270.417 2.313 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C(C)C)C(=O)OC ZINC000045378075 175367732 /nfs/dbraw/zinc/36/77/32/175367732.db2.gz IQFYCCLFTWKAKZ-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C(C)C)C(=O)OC ZINC000045378075 175367733 /nfs/dbraw/zinc/36/77/33/175367733.db2.gz IQFYCCLFTWKAKZ-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045377979 175367814 /nfs/dbraw/zinc/36/78/14/175367814.db2.gz MSUZESXAGOIINJ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045377979 175367815 /nfs/dbraw/zinc/36/78/15/175367815.db2.gz MSUZESXAGOIINJ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379755 175369498 /nfs/dbraw/zinc/36/94/98/175369498.db2.gz JEQMJRIWEDMLLU-LZWOXQAQSA-N 2 1 283.460 2.272 10 0 CEAEMP CCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382396 175371514 /nfs/dbraw/zinc/37/15/14/175371514.db2.gz LPYXHVNHDBROLN-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382396 175371515 /nfs/dbraw/zinc/37/15/15/175371515.db2.gz LPYXHVNHDBROLN-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385320 175372289 /nfs/dbraw/zinc/37/22/89/175372289.db2.gz SZIXQANSKKLJMZ-ZFWWWQNUSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045385920 175372313 /nfs/dbraw/zinc/37/23/13/175372313.db2.gz AXTHJHOUBYJMGC-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC(CC)[N@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045391578 175374911 /nfs/dbraw/zinc/37/49/11/175374911.db2.gz RRWSXNZSSQGSFE-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC(CC)[N@@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045391578 175374912 /nfs/dbraw/zinc/37/49/12/175374912.db2.gz RRWSXNZSSQGSFE-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392014 175375620 /nfs/dbraw/zinc/37/56/20/175375620.db2.gz NYMDVVDXZDKZRT-GOEBONIOSA-N 2 1 285.476 2.377 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421034 175379680 /nfs/dbraw/zinc/37/96/80/175379680.db2.gz IXFCDXPGYPBKRC-XJKSGUPXSA-N 2 1 285.476 2.377 10 0 CEAEMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000665299570 415687967 /nfs/dbraw/zinc/68/79/67/415687967.db2.gz PLCKMCICZJWGMF-LLVKDONJSA-N 2 1 273.302 2.332 10 0 CEAEMP CCCC1CCC([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000071148480 176043986 /nfs/dbraw/zinc/04/39/86/176043986.db2.gz QDIMLMYKBMYKJL-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CCCCCC[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148924 176044438 /nfs/dbraw/zinc/04/44/38/176044438.db2.gz QVOSJXITYFNUEV-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000071187923 176061451 /nfs/dbraw/zinc/06/14/51/176061451.db2.gz AVRHNXJTGVMNMB-MNOVXSKESA-N 2 1 287.860 2.285 10 0 CEAEMP CC[C@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071187974 176061531 /nfs/dbraw/zinc/06/15/31/176061531.db2.gz AQSSEPRIXDAHRB-RDBSUJKOSA-N 2 1 255.450 2.022 10 0 CEAEMP CC(C)C1CCC(C[NH3+])(N(C)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000071188375 176062886 /nfs/dbraw/zinc/06/28/86/176062886.db2.gz UAGPNPOORBHELE-GTPINHCMSA-N 2 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188676 176063331 /nfs/dbraw/zinc/06/33/31/176063331.db2.gz HUGUSAZEXXQHID-KLHDSHLOSA-N 2 1 267.461 2.166 10 0 CEAEMP Cc1cc(C)c([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188613 176063411 /nfs/dbraw/zinc/06/34/11/176063411.db2.gz RCUVGLLHFAZLDZ-SJORKVTESA-N 2 1 289.467 2.495 10 0 CEAEMP CCC[C@H]([NH2+]CC)[C@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188818 176063795 /nfs/dbraw/zinc/06/37/95/176063795.db2.gz HQWHZMUAKXXURI-PMPSAXMXSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@@H]([NH3+])c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189395 176064703 /nfs/dbraw/zinc/06/47/03/176064703.db2.gz WPIBIPGHDGOWEY-VXGBXAGGSA-N 2 1 265.376 2.233 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191845 176072298 /nfs/dbraw/zinc/07/22/98/176072298.db2.gz QJFGJROMZDXRET-HUUCEWRRSA-N 3 1 269.477 2.427 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191845 176072299 /nfs/dbraw/zinc/07/22/99/176072299.db2.gz QJFGJROMZDXRET-HUUCEWRRSA-N 3 1 269.477 2.427 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191845 176072301 /nfs/dbraw/zinc/07/23/01/176072301.db2.gz QJFGJROMZDXRET-HUUCEWRRSA-N 3 1 269.477 2.427 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191845 176072302 /nfs/dbraw/zinc/07/23/02/176072302.db2.gz QJFGJROMZDXRET-HUUCEWRRSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191845 176072303 /nfs/dbraw/zinc/07/23/03/176072303.db2.gz QJFGJROMZDXRET-HUUCEWRRSA-N 2 1 269.477 2.427 10 0 CEAEMP Cc1ncsc1C[N@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000071213158 176085022 /nfs/dbraw/zinc/08/50/22/176085022.db2.gz ZJEHZONJHCLLFF-GFCCVEGCSA-N 2 1 253.415 2.271 10 0 CEAEMP Cc1ncsc1C[N@@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000071213158 176085023 /nfs/dbraw/zinc/08/50/23/176085023.db2.gz ZJEHZONJHCLLFF-GFCCVEGCSA-N 2 1 253.415 2.271 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1cc[nH+]c1C ZINC000071346522 176132085 /nfs/dbraw/zinc/13/20/85/176132085.db2.gz CEZQDYNXXHJGTI-GJZGRUSLSA-N 2 1 278.444 2.290 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C(C)(C)C)[NH2+]CC1(C)C ZINC000071348436 176132701 /nfs/dbraw/zinc/13/27/01/176132701.db2.gz REXOELVGWICNHH-CQSZACIVSA-N 2 1 278.444 2.290 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1CCn1cc[nH+]c1C ZINC000071358318 176137391 /nfs/dbraw/zinc/13/73/91/176137391.db2.gz BHVZGVJCTDUZJE-OAHLLOKOSA-N 2 1 276.428 2.188 10 0 CEAEMP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000071401432 176153950 /nfs/dbraw/zinc/15/39/50/176153950.db2.gz HWLNINBMSCOVKU-CVEARBPZSA-N 2 1 289.423 2.019 10 0 CEAEMP CCOc1cccc(CCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000071589131 176217391 /nfs/dbraw/zinc/21/73/91/176217391.db2.gz HYRPXQKHTARUPW-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCOc1cccc(CCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000071589131 176217392 /nfs/dbraw/zinc/21/73/92/176217392.db2.gz HYRPXQKHTARUPW-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227539207 276376095 /nfs/dbraw/zinc/37/60/95/276376095.db2.gz JYYMZFJPKPVCIS-APHBMKBZSA-N 2 1 259.397 2.205 10 0 CEAEMP CC(C)CN1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000055075977 519725110 /nfs/dbraw/zinc/72/51/10/519725110.db2.gz MVLGUVUSNOLHFJ-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617399 519736838 /nfs/dbraw/zinc/73/68/38/519736838.db2.gz XYQVDSRUJOLPIN-HOCLYGCPSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C(C)(C)CC)C(N)=O ZINC000069446620 520105821 /nfs/dbraw/zinc/10/58/21/520105821.db2.gz SISPABZRIFOORS-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C(C)(C)CC)C(=O)OC ZINC000069443290 520227985 /nfs/dbraw/zinc/22/79/85/520227985.db2.gz FOPLDPHURYUFKN-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C(C)(C)CC)C(=O)OC ZINC000069443290 520227994 /nfs/dbraw/zinc/22/79/94/520227994.db2.gz FOPLDPHURYUFKN-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCCC[N@@H+](CCO)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023271 520524852 /nfs/dbraw/zinc/52/48/52/520524852.db2.gz QDNMGGVJLKITRH-AWEZNQCLSA-N 2 1 263.385 2.148 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCSC2)c(C)o1 ZINC000052453615 522104929 /nfs/dbraw/zinc/10/49/29/522104929.db2.gz KGXFNGMIYGBZFR-GFCCVEGCSA-N 2 1 254.399 2.245 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052511507 522218720 /nfs/dbraw/zinc/21/87/20/522218720.db2.gz LSLADJJSEWSHSW-GFCCVEGCSA-N 2 1 254.374 2.244 10 0 CEAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052593192 522588183 /nfs/dbraw/zinc/58/81/83/522588183.db2.gz VFVPOTQAQGWSKI-KGLIPLIRSA-N 2 1 265.401 2.239 10 0 CEAEMP CC(C)[NH2+]CCCCCN1CCC([NH+](C)C)CC1 ZINC000052477755 519720619 /nfs/dbraw/zinc/72/06/19/519720619.db2.gz BLUOFZGYUJMOOL-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)O1 ZINC000052479526 519723628 /nfs/dbraw/zinc/72/36/28/519723628.db2.gz BQKIOLREAFRCPU-HOTGVXAUSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1CN1CCC[N@@H+](C)CC1 ZINC000052424412 519727925 /nfs/dbraw/zinc/72/79/25/519727925.db2.gz CUCTVRHGGCHMFV-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCCN(C)CC1 ZINC000052424412 519727927 /nfs/dbraw/zinc/72/79/27/519727927.db2.gz CUCTVRHGGCHMFV-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCCN(C)CC1 ZINC000052424412 519727928 /nfs/dbraw/zinc/72/79/28/519727928.db2.gz CUCTVRHGGCHMFV-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)c1[nH+]ccn1Cc1[nH+]c(NN)ccc1Cl ZINC000061639292 519880497 /nfs/dbraw/zinc/88/04/97/519880497.db2.gz GQSWKLGPERYWDV-UHFFFAOYSA-N 2 1 265.748 2.389 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[N@@H+](C)C1 ZINC000054602338 519910226 /nfs/dbraw/zinc/91/02/26/519910226.db2.gz DCQIACZUZLKJQD-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](CCOC)[C@@H](C)CC)CCOCC1 ZINC000052183548 519912903 /nfs/dbraw/zinc/91/29/03/519912903.db2.gz LLWJYSFFFUBHKI-HNNXBMFYSA-N 2 1 286.460 2.140 10 0 CEAEMP CC[NH2+]CCCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573187 519919492 /nfs/dbraw/zinc/91/94/92/519919492.db2.gz MALKNGYGFGQCNT-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[NH2+]Cc1sc(N2CC[NH+](C3CC3)CC2)nc1C ZINC000055002239 519974514 /nfs/dbraw/zinc/97/45/14/519974514.db2.gz NOMHZQJQBPDNNC-UHFFFAOYSA-N 2 1 294.468 2.236 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419387 519977346 /nfs/dbraw/zinc/97/73/46/519977346.db2.gz NMAPPXIBEYSIDW-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]Cc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000052380251 520004611 /nfs/dbraw/zinc/00/46/11/520004611.db2.gz LSGXTKAMCNKZDO-KBPBESRZSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+][C@@H](C)c1cnc(N(C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000054905613 520079390 /nfs/dbraw/zinc/07/93/90/520079390.db2.gz OLPAUTCEFGJOTJ-NWDGAFQWSA-N 2 1 282.457 2.344 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000068641364 520240899 /nfs/dbraw/zinc/24/08/99/520240899.db2.gz NSHJCGDUVBOJNH-SUMWQHHRSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)C)no1)[C@@H](C)COC ZINC000052504847 521288622 /nfs/dbraw/zinc/28/86/22/521288622.db2.gz ZLCYFRSZXNUKGA-LBPRGKRZSA-N 2 1 269.389 2.029 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCOc1ccc(C(N)=[NH2+])cc1 ZINC000069435584 521301261 /nfs/dbraw/zinc/30/12/61/521301261.db2.gz XEGGKDKUECXKSJ-UHFFFAOYSA-N 2 1 263.385 2.470 10 0 CEAEMP CC[N@@H+]([C@@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017410 521472147 /nfs/dbraw/zinc/47/21/47/521472147.db2.gz CXVLMJSRWURPCO-ZFWWWQNUSA-N 2 1 250.386 2.433 10 0 CEAEMP CCN1CCC([N@H+](C)[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017324 521566275 /nfs/dbraw/zinc/56/62/75/521566275.db2.gz GDERUCAAAOAKMC-QGZVFWFLSA-N 2 1 275.440 2.493 10 0 CEAEMP CCN1CCC([N@@H+](C)[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017324 521566282 /nfs/dbraw/zinc/56/62/82/521566282.db2.gz GDERUCAAAOAKMC-QGZVFWFLSA-N 2 1 275.440 2.493 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)NCC[NH+]2CCCCC2)C1 ZINC000049574773 521650804 /nfs/dbraw/zinc/65/08/04/521650804.db2.gz AWQODOAGEKOPEV-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCN2CCCCC2)C1 ZINC000049574773 521650811 /nfs/dbraw/zinc/65/08/11/521650811.db2.gz AWQODOAGEKOPEV-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCN2CCCCC2)C1 ZINC000049574773 521650815 /nfs/dbraw/zinc/65/08/15/521650815.db2.gz AWQODOAGEKOPEV-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197700 521970038 /nfs/dbraw/zinc/97/00/38/521970038.db2.gz VXCRNPCURSVQTQ-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]CC1(C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000051209799 521972783 /nfs/dbraw/zinc/97/27/83/521972783.db2.gz OEBYOZCVXUQPGP-KBPBESRZSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]CCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417246 521996007 /nfs/dbraw/zinc/99/60/07/521996007.db2.gz JYOMYEICQCAMIF-UHFFFAOYSA-N 2 1 292.423 2.452 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1cc(C[NH2+]C)co1 ZINC000052547369 522091931 /nfs/dbraw/zinc/09/19/31/522091931.db2.gz NFIZADYZNAGLOQ-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000052371134 522118472 /nfs/dbraw/zinc/11/84/72/522118472.db2.gz XTJSCUXRWROMBJ-UHFFFAOYSA-N 2 1 250.411 2.345 10 0 CEAEMP C[NH2+]Cc1ccccc1N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062941320 522135918 /nfs/dbraw/zinc/13/59/18/522135918.db2.gz WXFGFVQSACONBZ-OAHLLOKOSA-N 2 1 259.397 2.081 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653641 522491085 /nfs/dbraw/zinc/49/10/85/522491085.db2.gz SYTMSAZBGLXQJM-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653641 522491094 /nfs/dbraw/zinc/49/10/94/522491094.db2.gz SYTMSAZBGLXQJM-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H]1CCCc2nc(N3CC[NH+](C4CC4)CC3)sc21 ZINC000054909505 522499750 /nfs/dbraw/zinc/49/97/50/522499750.db2.gz DHUANLAFMOPPKQ-LBPRGKRZSA-N 2 1 292.452 2.024 10 0 CEAEMP C[N@@H+](CC[NH2+]C1CCOCC1)CC1CCCCC1 ZINC000062767876 522864188 /nfs/dbraw/zinc/86/41/88/522864188.db2.gz DRSCXURSKKZMAO-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[N@H+](CC[NH2+]C1CCOCC1)CC1CCCCC1 ZINC000062767876 522864181 /nfs/dbraw/zinc/86/41/81/522864181.db2.gz DRSCXURSKKZMAO-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182391 523034841 /nfs/dbraw/zinc/03/48/41/523034841.db2.gz KLOIONLKLGIGMC-INIZCTEOSA-N 2 1 296.455 2.036 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)[C@@H]1CCSC1 ZINC000052453603 523079343 /nfs/dbraw/zinc/07/93/43/523079343.db2.gz CVFIVNBYAVCOOO-RDBSUJKOSA-N 2 1 286.485 2.359 10 0 CEAEMP C[N@@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCOCC1 ZINC000052481268 523146853 /nfs/dbraw/zinc/14/68/53/523146853.db2.gz PBELXTNDZVTPBV-LSDHHAIUSA-N 2 1 284.444 2.033 10 0 CEAEMP CN1CCC([N@@H+](C)Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052419834 523158826 /nfs/dbraw/zinc/15/88/26/523158826.db2.gz VCESXHXXBXXKHA-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP COCCC[N@@H+](CCCCC[NH2+]CC(C)C)CCOC ZINC000052543294 523241843 /nfs/dbraw/zinc/24/18/43/523241843.db2.gz GWUPRYDRSQTWOC-UHFFFAOYSA-N 2 1 288.476 2.387 10 0 CEAEMP CC[C@@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)CC[N@H+]1C ZINC000069182948 523472975 /nfs/dbraw/zinc/47/29/75/523472975.db2.gz QCHNPXYVABSUQP-LLVKDONJSA-N 2 1 280.441 2.010 10 0 CEAEMP CN(c1nc(C(C)(C)C)c(C[NH3+])s1)[C@@H]1CCC[N@@H+](C)C1 ZINC000054998275 523662023 /nfs/dbraw/zinc/66/20/23/523662023.db2.gz QOLPSVBRSDUSFR-LLVKDONJSA-N 2 1 296.484 2.430 10 0 CEAEMP COCC[N@@H+](CCCC[NH2+]C1CC1)[C@H](C)C1CC1 ZINC000052545270 523693673 /nfs/dbraw/zinc/69/36/73/523693673.db2.gz JWDTXMYVTGCLDW-CYBMUJFWSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083586 523953104 /nfs/dbraw/zinc/95/31/04/523953104.db2.gz YNQSGYYAQZYHMM-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH+](C)CC1CC[NH+](CC[C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000053982248 524049791 /nfs/dbraw/zinc/04/97/91/524049791.db2.gz WJDALXNBWGGIPR-KRWDZBQOSA-N 3 1 293.430 2.489 10 0 CEAEMP Cc1ccc(C[N@@H+](C)Cc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068761062 524396201 /nfs/dbraw/zinc/39/62/01/524396201.db2.gz UHJDXAWQYVJXTN-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP Cc1ccc(C[N@H+](C)Cc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068761062 524396208 /nfs/dbraw/zinc/39/62/08/524396208.db2.gz UHJDXAWQYVJXTN-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP Cc1cc(N)c[nH+]c1N1CCC([NH+]2CCCCC2)CC1 ZINC000052812943 525039261 /nfs/dbraw/zinc/03/92/61/525039261.db2.gz RQIAFDHBPLIORJ-UHFFFAOYSA-N 2 1 274.412 2.427 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052854411 527123455 /nfs/dbraw/zinc/12/34/55/527123455.db2.gz NEECZWUJFRQFCX-ZDUSSCGKSA-N 2 1 256.353 2.336 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000052854411 527123460 /nfs/dbraw/zinc/12/34/60/527123460.db2.gz NEECZWUJFRQFCX-ZDUSSCGKSA-N 2 1 256.353 2.336 10 0 CEAEMP [NH3+]Cc1ncccc1C[N@H+]1CCc2ccccc2C1 ZINC000061656462 527265808 /nfs/dbraw/zinc/26/58/08/527265808.db2.gz QBRBAPRRVPHDRP-UHFFFAOYSA-N 2 1 253.349 2.099 10 0 CEAEMP CCc1cc(N2CCC(C[NH2+]C3CC3)CC2)nc(C)[nH+]1 ZINC000088760850 536144448 /nfs/dbraw/zinc/14/44/48/536144448.db2.gz NWTCSCZVJJNVGV-UHFFFAOYSA-N 2 1 274.412 2.316 10 0 CEAEMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH2+]C)cc1)C(C)C ZINC000261838089 629267801 /nfs/dbraw/zinc/26/78/01/629267801.db2.gz WAWUYCBPBMNXIW-AWEZNQCLSA-N 2 1 291.439 2.255 10 0 CEAEMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261889572 629304048 /nfs/dbraw/zinc/30/40/48/629304048.db2.gz XIBDECDQWRTPGX-MXWKQRLJSA-N 2 1 250.308 2.259 10 0 CEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261890447 629304779 /nfs/dbraw/zinc/30/47/79/629304779.db2.gz TUWLGWBEGYHDQM-VXGBXAGGSA-N 2 1 286.379 2.095 10 0 CEAEMP Cc1ccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231669915 639871942 /nfs/dbraw/zinc/87/19/42/639871942.db2.gz SQGNXNWBSIMVNB-OAHLLOKOSA-N 2 1 262.397 2.448 10 0 CEAEMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000245449638 639993818 /nfs/dbraw/zinc/99/38/18/639993818.db2.gz NWQIYEZJUFNBKU-NVXWUHKLSA-N 2 1 276.424 2.168 10 0 CEAEMP CC[NH2+][C@]1(C[NH3+])CCc2cc(Br)ccc2C1 ZINC000082491560 178059111 /nfs/dbraw/zinc/05/91/11/178059111.db2.gz PFFNCICAKKLPEB-CYBMUJFWSA-N 2 1 283.213 2.245 10 0 CEAEMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)[C@H]1C ZINC000725264165 539212672 /nfs/dbraw/zinc/21/26/72/539212672.db2.gz DVYKWJNVEOSJPA-ZOBORPQBSA-N 2 1 252.402 2.003 10 0 CEAEMP CC[NH+](CC)CCNc1cn[nH+]c2cc3c(cc12)OCO3 ZINC000113369363 344276961 /nfs/dbraw/zinc/27/69/61/344276961.db2.gz ULJUKKDNVVLKJE-UHFFFAOYSA-N 2 1 288.351 2.112 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000251756460 344637421 /nfs/dbraw/zinc/63/74/21/344637421.db2.gz LOWGFGQQCHRUFT-KDOFPFPSSA-N 2 1 285.435 2.001 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]12 ZINC000312737341 344739967 /nfs/dbraw/zinc/73/99/67/344739967.db2.gz UOVFXAOYHPSRCN-NQBHXWOUSA-N 2 1 294.782 2.238 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]12 ZINC000312737341 344739969 /nfs/dbraw/zinc/73/99/69/344739969.db2.gz UOVFXAOYHPSRCN-NQBHXWOUSA-N 2 1 294.782 2.238 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369447 179039068 /nfs/dbraw/zinc/03/90/68/179039068.db2.gz CRUVABPBQJCNKX-HOTGVXAUSA-N 2 1 295.471 2.084 10 0 CEAEMP CC(C)CNC(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403528 179053068 /nfs/dbraw/zinc/05/30/68/179053068.db2.gz VEXWDXAEKDEPIE-MRXNPFEDSA-N 2 1 295.471 2.003 10 0 CEAEMP C[N@H+]1CC[C@H](Cn2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606450 179100366 /nfs/dbraw/zinc/10/03/66/179100366.db2.gz BVCRIZYKUAUOQB-ZDUSSCGKSA-N 2 1 288.439 2.138 10 0 CEAEMP C([C@H]1CCOC1)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610597 179101167 /nfs/dbraw/zinc/10/11/67/179101167.db2.gz SZOIZTXTTPCGFX-CQSZACIVSA-N 2 1 252.402 2.021 10 0 CEAEMP CC[C@](C[NH3+])(C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000086120701 179235078 /nfs/dbraw/zinc/23/50/78/179235078.db2.gz STPMSMRDZVLOJE-KRWDZBQOSA-N 2 1 279.472 2.312 10 0 CEAEMP CC[C@H](C)[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172104 179244195 /nfs/dbraw/zinc/24/41/95/179244195.db2.gz RURXMBMRKLYMAR-YVSFHVDLSA-N 2 1 281.488 2.425 10 0 CEAEMP C[C@H]1CN[C@@H](Cc2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086174302 179245350 /nfs/dbraw/zinc/24/53/50/179245350.db2.gz ULKGADNLNFBVNH-WMZOPIPTSA-N 2 1 289.467 2.233 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCCC[NH+](C)C ZINC000086174302 179245352 /nfs/dbraw/zinc/24/53/52/179245352.db2.gz ULKGADNLNFBVNH-WMZOPIPTSA-N 2 1 289.467 2.233 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000086145818 179239029 /nfs/dbraw/zinc/23/90/29/179239029.db2.gz WYSKYIXBHULPOW-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP CC[C@@]1(C)CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223093 179250654 /nfs/dbraw/zinc/25/06/54/179250654.db2.gz LPEHEFJTTRYPEH-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223004 179251217 /nfs/dbraw/zinc/25/12/17/179251217.db2.gz WCGVGAXCBDPSHL-JQHSSLGASA-N 2 1 293.499 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223940 179253160 /nfs/dbraw/zinc/25/31/60/179253160.db2.gz FIARODJHDJJYLD-RBSFLKMASA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259593 179258162 /nfs/dbraw/zinc/25/81/62/179258162.db2.gz RPFHVPVYSOYITE-SQNIBIBYSA-N 2 1 291.483 2.322 10 0 CEAEMP CC[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C)[C@H](C(C)C)C[NH2+]1 ZINC000086259353 179258783 /nfs/dbraw/zinc/25/87/83/179258783.db2.gz JIHBLLIWNYCOFS-PMPSAXMXSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259674 179259544 /nfs/dbraw/zinc/25/95/44/179259544.db2.gz OITQSJXSBPMXSJ-IAGOWNOFSA-N 2 1 291.483 2.466 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288753 179264788 /nfs/dbraw/zinc/26/47/88/179264788.db2.gz NZLZNLGVNODNNV-GDBMZVCRSA-N 2 1 261.413 2.334 10 0 CEAEMP c1ccc(C[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000086291366 179265738 /nfs/dbraw/zinc/26/57/38/179265738.db2.gz WCGFXHDHRACFJP-MSOLQXFVSA-N 2 1 288.435 2.462 10 0 CEAEMP C1C[C@@H]2[C@H](N3CCC[NH2+][C@H](C4CCCCC4)C3)CC[N@H+]2C1 ZINC000086290903 179265757 /nfs/dbraw/zinc/26/57/57/179265757.db2.gz LRIUESLXZYMREH-RCCFBDPRSA-N 2 1 291.483 2.467 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@@H](C(C)(C)C)C2)CC1 ZINC000086291533 179266052 /nfs/dbraw/zinc/26/60/52/179266052.db2.gz MFCJZMRHXRVFPM-MRXNPFEDSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086291533 179266053 /nfs/dbraw/zinc/26/60/53/179266053.db2.gz MFCJZMRHXRVFPM-MRXNPFEDSA-N 2 1 281.488 2.428 10 0 CEAEMP CC(C)[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293044 179266734 /nfs/dbraw/zinc/26/67/34/179266734.db2.gz YLTYUEMIEVVLMW-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)[C@@H](CC)C[NH2+]1 ZINC000086463884 179296581 /nfs/dbraw/zinc/29/65/81/179296581.db2.gz KGEHAQNIZFWTRZ-PMPSAXMXSA-N 2 1 267.461 2.323 10 0 CEAEMP C[C@@H]1C[NH+]=C(NCC[N@@H+](C)C2CCCC2)SC1 ZINC000086633536 179314717 /nfs/dbraw/zinc/31/47/17/179314717.db2.gz JTYYAEWLEBXZEP-LLVKDONJSA-N 2 1 255.431 2.189 10 0 CEAEMP C[C@H](CN[C@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818836 179348857 /nfs/dbraw/zinc/34/88/57/179348857.db2.gz NEKOTMUPEZYDDP-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818836 179348858 /nfs/dbraw/zinc/34/88/58/179348858.db2.gz NEKOTMUPEZYDDP-CVEARBPZSA-N 3 1 267.461 2.182 10 0 CEAEMP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818836 179348861 /nfs/dbraw/zinc/34/88/61/179348861.db2.gz NEKOTMUPEZYDDP-CVEARBPZSA-N 3 1 267.461 2.182 10 0 CEAEMP CCOC(=O)CCC[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086845734 179355771 /nfs/dbraw/zinc/35/57/71/179355771.db2.gz XKQFUECFAQIYBN-CQSZACIVSA-N 2 1 270.417 2.182 10 0 CEAEMP CCN(CC1CC1)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848831 179356154 /nfs/dbraw/zinc/35/61/54/179356154.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@H+](CC1CC1)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848831 179356156 /nfs/dbraw/zinc/35/61/56/179356156.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@@H+](CC1CC1)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848831 179356158 /nfs/dbraw/zinc/35/61/58/179356158.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+](CC1CC1)[C@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086848831 179356161 /nfs/dbraw/zinc/35/61/61/179356161.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+](CC1CC1)[C@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086848831 179356163 /nfs/dbraw/zinc/35/61/63/179356163.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCC[C@@H]2CC)CC1 ZINC000086847392 179356919 /nfs/dbraw/zinc/35/69/19/179356919.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CN)([NH+]2CCC[C@@H]2CC)CC1 ZINC000086847392 179356921 /nfs/dbraw/zinc/35/69/21/179356921.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@](CN)([NH+]2CCC[C@@H]2CC)CC1 ZINC000086847392 179356923 /nfs/dbraw/zinc/35/69/23/179356923.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@@H+]2CCC[C@@H]2CC)CC1 ZINC000086847392 179356926 /nfs/dbraw/zinc/35/69/26/179356926.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@H+]2CCC[C@@H]2CC)CC1 ZINC000086847392 179356928 /nfs/dbraw/zinc/35/69/28/179356928.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CC(C)C[C@H](CO)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842540 179352467 /nfs/dbraw/zinc/35/24/67/179352467.db2.gz GLEGWFGFMJWOFT-LSDHHAIUSA-N 2 1 256.434 2.246 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843450 179352717 /nfs/dbraw/zinc/35/27/17/179352717.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843450 179352718 /nfs/dbraw/zinc/35/27/18/179352718.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843450 179352721 /nfs/dbraw/zinc/35/27/21/179352721.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086843450 179352723 /nfs/dbraw/zinc/35/27/23/179352723.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086843450 179352724 /nfs/dbraw/zinc/35/27/24/179352724.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841708 179353244 /nfs/dbraw/zinc/35/32/44/179353244.db2.gz DEZJIIRRNVFFHY-HOTGVXAUSA-N 2 1 295.471 2.242 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841708 179353246 /nfs/dbraw/zinc/35/32/46/179353246.db2.gz DEZJIIRRNVFFHY-HOTGVXAUSA-N 2 1 295.471 2.242 10 0 CEAEMP CC(C)C[C@@H](CO)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842537 179353530 /nfs/dbraw/zinc/35/35/30/179353530.db2.gz GLEGWFGFMJWOFT-GJZGRUSLSA-N 2 1 256.434 2.246 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000086844735 179355456 /nfs/dbraw/zinc/35/54/56/179355456.db2.gz QLCTXYZLYIQQMW-CVEARBPZSA-N 2 1 262.397 2.184 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000086844735 179355457 /nfs/dbraw/zinc/35/54/57/179355457.db2.gz QLCTXYZLYIQQMW-CVEARBPZSA-N 2 1 262.397 2.184 10 0 CEAEMP COc1cccc(C[N@H+](C)[C@@]2(C[NH3+])CCCOCC2)c1 ZINC000086875142 179364972 /nfs/dbraw/zinc/36/49/72/179364972.db2.gz WHRCRHZFANDRHP-INIZCTEOSA-N 2 1 278.396 2.025 10 0 CEAEMP COc1cccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCOCC2)c1 ZINC000086875142 179364974 /nfs/dbraw/zinc/36/49/74/179364974.db2.gz WHRCRHZFANDRHP-INIZCTEOSA-N 2 1 278.396 2.025 10 0 CEAEMP CC(C)[N@H+]1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849651 179358175 /nfs/dbraw/zinc/35/81/75/179358175.db2.gz WLYFPSPOLOACED-QGZVFWFLSA-N 2 1 295.471 2.417 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCSC[C@@H]2C)CC1 ZINC000086848880 179358574 /nfs/dbraw/zinc/35/85/74/179358574.db2.gz HGEVJEKOTMAPIQ-GJZGRUSLSA-N 2 1 285.501 2.017 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016492 179380593 /nfs/dbraw/zinc/38/05/93/179380593.db2.gz VZBUSRMXRDYEPX-AWEZNQCLSA-N 2 1 254.418 2.144 10 0 CEAEMP C[NH2+][C@H](CSCC(C)C)Cc1cc[nH+]c(N)c1 ZINC000087122984 179396183 /nfs/dbraw/zinc/39/61/83/179396183.db2.gz DXBWXWVMXJJZMM-LBPRGKRZSA-N 2 1 253.415 2.184 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(COC)c1 ZINC000088553116 179622171 /nfs/dbraw/zinc/62/21/71/179622171.db2.gz CZZJCIOGYVXDOG-JKSUJKDBSA-N 2 1 262.397 2.435 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355398 233176512 /nfs/dbraw/zinc/17/65/12/233176512.db2.gz OGJSLGPHCNVXEP-UOVPBQLFSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355398 233176514 /nfs/dbraw/zinc/17/65/14/233176514.db2.gz OGJSLGPHCNVXEP-UOVPBQLFSA-N 2 1 287.451 2.237 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000090566300 180005301 /nfs/dbraw/zinc/00/53/01/180005301.db2.gz GVVSLBLAMRGUOL-GOEBONIOSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000090566300 180005302 /nfs/dbraw/zinc/00/53/02/180005302.db2.gz GVVSLBLAMRGUOL-GOEBONIOSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000090566018 180005324 /nfs/dbraw/zinc/00/53/24/180005324.db2.gz BEWSHMPTOUAMMA-IAGOWNOFSA-N 2 1 274.408 2.059 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1cccc(F)c1 ZINC000090566084 180005387 /nfs/dbraw/zinc/00/53/87/180005387.db2.gz CLLDZZCIXRMDSN-GOEBONIOSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1cccc(F)c1 ZINC000090566084 180005388 /nfs/dbraw/zinc/00/53/88/180005388.db2.gz CLLDZZCIXRMDSN-GOEBONIOSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)C1CCCCC1 ZINC000090566023 180005688 /nfs/dbraw/zinc/00/56/88/180005688.db2.gz CKPHMEJJSNWPOZ-HIFRSBDPSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000090566076 180005762 /nfs/dbraw/zinc/00/57/62/180005762.db2.gz VAHJOHBGKIIGNW-DLBZAZTESA-N 2 1 276.424 2.441 10 0 CEAEMP C[NH2+][C@@H]1CC[N@H+](CCOC2CCCCC2)[C@H](C)C1 ZINC000104437957 186002111 /nfs/dbraw/zinc/00/21/11/186002111.db2.gz KBQPWKWTXDDUIZ-ZIAGYGMSSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@@H]1CC[N@@H+](CCOC2CCCCC2)[C@H](C)C1 ZINC000104437957 186002112 /nfs/dbraw/zinc/00/21/12/186002112.db2.gz KBQPWKWTXDDUIZ-ZIAGYGMSSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@H]1CC[N@H+](CCOC2CCCCC2)[C@@H](C)C1 ZINC000104437968 186002207 /nfs/dbraw/zinc/00/22/07/186002207.db2.gz KBQPWKWTXDDUIZ-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@H]1CC[N@@H+](CCOC2CCCCC2)[C@@H](C)C1 ZINC000104437968 186002208 /nfs/dbraw/zinc/00/22/08/186002208.db2.gz KBQPWKWTXDDUIZ-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694404 180026307 /nfs/dbraw/zinc/02/63/07/180026307.db2.gz CPRVCVYHGFCTMK-DZGCQCFKSA-N 2 1 295.471 2.144 10 0 CEAEMP CC(C)[N@H+]1CCO[C@H](CSc2cccc(C[NH3+])c2)C1 ZINC000090870471 180049349 /nfs/dbraw/zinc/04/93/49/180049349.db2.gz KNJXGBDWGGDILE-AWEZNQCLSA-N 2 1 280.437 2.347 10 0 CEAEMP c1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874334 180050215 /nfs/dbraw/zinc/05/02/15/180050215.db2.gz MBFIDSATWZUCCB-CJNGLKHVSA-N 2 1 272.392 2.064 10 0 CEAEMP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878333 180052416 /nfs/dbraw/zinc/05/24/16/180052416.db2.gz DVYXFIKZNFAUTB-ZFWWWQNUSA-N 2 1 274.408 2.453 10 0 CEAEMP [NH3+]Cc1oc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907820 180062081 /nfs/dbraw/zinc/06/20/81/180062081.db2.gz BPVKVQANNYQNAA-TXEJJXNPSA-N 2 1 272.348 2.255 10 0 CEAEMP [NH3+]Cc1oc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907820 180062082 /nfs/dbraw/zinc/06/20/82/180062082.db2.gz BPVKVQANNYQNAA-TXEJJXNPSA-N 2 1 272.348 2.255 10 0 CEAEMP C[C@@H]1CCC[N@@H+](Cc2csc(CC[NH3+])n2)[C@@H]1C ZINC000090958507 180074744 /nfs/dbraw/zinc/07/47/44/180074744.db2.gz ZYWUFAQSPKOQED-GHMZBOCLSA-N 2 1 253.415 2.265 10 0 CEAEMP COCC[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090977562 180078887 /nfs/dbraw/zinc/07/88/87/180078887.db2.gz BGSFJYNOSKVMRK-WBVHZDCISA-N 2 1 288.435 2.274 10 0 CEAEMP C[C@H]1CCC[C@H](C[NH3+])[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019718 180088056 /nfs/dbraw/zinc/08/80/56/180088056.db2.gz SFOJJYRPMYJOGE-WCQYABFASA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@H]1CCC[C@H](C[NH3+])[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019718 180088059 /nfs/dbraw/zinc/08/80/59/180088059.db2.gz SFOJJYRPMYJOGE-WCQYABFASA-N 2 1 258.369 2.265 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@@H+](C)CC1CC(O)C1 ZINC000091489229 180168603 /nfs/dbraw/zinc/16/86/03/180168603.db2.gz STMNKRIXFVCRSA-DXCHVLGVSA-N 2 1 276.424 2.286 10 0 CEAEMP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490575 180169941 /nfs/dbraw/zinc/16/99/41/180169941.db2.gz KTDKLRVGNSNMMB-OOJKYFRXSA-N 2 1 268.445 2.103 10 0 CEAEMP C[N@H+](CC1CC(O)C1)CC(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000091499455 180173997 /nfs/dbraw/zinc/17/39/97/180173997.db2.gz RLDXACCDAUAONU-BCLQGDPASA-N 2 1 276.424 2.415 10 0 CEAEMP C[N@@H+](CC1CC(O)C1)CC(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000091499455 180173999 /nfs/dbraw/zinc/17/39/99/180173999.db2.gz RLDXACCDAUAONU-BCLQGDPASA-N 2 1 276.424 2.415 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@H+]1CCCC[C@@H]1CCO ZINC000091402631 180147256 /nfs/dbraw/zinc/14/72/56/180147256.db2.gz VSVRGEWYQPGCMX-UONOGXRCSA-N 2 1 256.434 2.248 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCCC1 ZINC000091564925 180193704 /nfs/dbraw/zinc/19/37/04/180193704.db2.gz UYRXEULPNMGSHZ-HNNXBMFYSA-N 2 1 276.428 2.059 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(C)nn1CC)[C@](C)(CC)[NH+](C)C ZINC000091571368 180195356 /nfs/dbraw/zinc/19/53/56/180195356.db2.gz IHLZGLCXRLQODX-CVEARBPZSA-N 2 1 280.460 2.462 10 0 CEAEMP CC[C@](C)([C@@H](Cc1ccn(C(C)C)n1)[NH2+]C)[NH+](C)C ZINC000091570793 180195919 /nfs/dbraw/zinc/19/59/19/180195919.db2.gz CEUVTGNZCHGPPS-HUUCEWRRSA-N 2 1 266.433 2.325 10 0 CEAEMP CC[C@](C)([C@H](Cc1nn(C)c2ccccc12)[NH2+]C)[NH+](C)C ZINC000091570371 180195931 /nfs/dbraw/zinc/19/59/31/180195931.db2.gz FCBCZCKZAFVKGJ-DLBZAZTESA-N 2 1 288.439 2.434 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cccnc1N)[C@](C)(CC)[NH+](C)C ZINC000091571902 180196069 /nfs/dbraw/zinc/19/60/69/180196069.db2.gz SETHQHPQJOAKDT-HOCLYGCPSA-N 2 1 278.444 2.305 10 0 CEAEMP C[NH2+][C@@H](Cc1ccn(C(C)C)n1)C(C)(C)[NH+]1CCCC1 ZINC000091534864 180182140 /nfs/dbraw/zinc/18/21/40/180182140.db2.gz WBGRAUWMBPFMPE-HNNXBMFYSA-N 2 1 278.444 2.469 10 0 CEAEMP CC[NH2+][C@@H](Cc1ccccn1)C(C)(C)[NH+]1CCCC1 ZINC000091535136 180182427 /nfs/dbraw/zinc/18/24/27/180182427.db2.gz AMNCZARUWHMGBZ-HNNXBMFYSA-N 2 1 261.413 2.477 10 0 CEAEMP CCC(CC)([C@@H]([NH3+])Cc1cccnc1N)[NH+]1CCCC1 ZINC000091634817 180211568 /nfs/dbraw/zinc/21/15/68/180211568.db2.gz GQVRCLSASYQTBP-AWEZNQCLSA-N 2 1 276.428 2.188 10 0 CEAEMP CC[NH2+][C@@H](Cc1cccnc1N)C1([NH+](C)C)CCCC1 ZINC000091638017 180212562 /nfs/dbraw/zinc/21/25/62/180212562.db2.gz ZPGACDVNORCITH-AWEZNQCLSA-N 2 1 276.428 2.059 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721889 180239456 /nfs/dbraw/zinc/23/94/56/180239456.db2.gz ZYEMSUKMQZHYHP-ZACQAIPSSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721889 180239460 /nfs/dbraw/zinc/23/94/60/180239460.db2.gz ZYEMSUKMQZHYHP-ZACQAIPSSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](CC1CCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721561 180238988 /nfs/dbraw/zinc/23/89/88/180238988.db2.gz BNFQFJCZIKIREB-OAGGEKHMSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[NH2+][C@H](CC1CCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721561 180238991 /nfs/dbraw/zinc/23/89/91/180238991.db2.gz BNFQFJCZIKIREB-OAGGEKHMSA-N 2 1 266.429 2.408 10 0 CEAEMP Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C(C)C ZINC000091723145 180241434 /nfs/dbraw/zinc/24/14/34/180241434.db2.gz CIOIMWAFKJCMCX-CHWSQXEVSA-N 2 1 295.452 2.485 10 0 CEAEMP CCC[N@@H+](CC(=O)Nc1nccs1)C1CCC([NH3+])CC1 ZINC000091852455 180272862 /nfs/dbraw/zinc/27/28/62/180272862.db2.gz DPLIINDNWHUMRZ-UHFFFAOYSA-N 2 1 296.440 2.064 10 0 CEAEMP CCC[N@@H+]([C@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091851420 180273117 /nfs/dbraw/zinc/27/31/17/180273117.db2.gz JGJKUMHNAOKIBT-GPANFISMSA-N 2 1 267.461 2.451 10 0 CEAEMP CCC[N@@H+]([C@H](C)C(=O)N1CCCCC1)C1CCC([NH3+])CC1 ZINC000091852385 180273131 /nfs/dbraw/zinc/27/31/31/180273131.db2.gz RFPPVPDMSBZHTA-QQFBHYJXSA-N 2 1 295.471 2.369 10 0 CEAEMP CC[C@H]([NH3+])c1ccn(C[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000091816427 180261399 /nfs/dbraw/zinc/26/13/99/180261399.db2.gz NMHRGXUJUSDFCY-CABCVRRESA-N 2 1 265.401 2.007 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000091870008 180277064 /nfs/dbraw/zinc/27/70/64/180277064.db2.gz HVIXQLOOVUJEAS-NFOMZHRRSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)Cc2ncccn2)CC1 ZINC000091870125 180277399 /nfs/dbraw/zinc/27/73/99/180277399.db2.gz CDLHOSYXUDRDIE-UHFFFAOYSA-N 2 1 262.401 2.219 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C(=O)OC)o2)CC1 ZINC000091873050 180277822 /nfs/dbraw/zinc/27/78/22/180277822.db2.gz SXVCXQKLXBNYRL-UHFFFAOYSA-N 2 1 280.368 2.029 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000091872912 180277879 /nfs/dbraw/zinc/27/78/79/180277879.db2.gz OCUIRGFYQFPLPE-FXQLRMTLSA-N 2 1 295.471 2.238 10 0 CEAEMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091872895 180278111 /nfs/dbraw/zinc/27/81/11/180278111.db2.gz SEQQGWNKXPQERT-PCKAHOCUSA-N 2 1 295.471 2.240 10 0 CEAEMP CC(C)C1CCC(C[NH3+])([C@]2(O)CC[N@H+](C3CC3)C2)CC1 ZINC000091907250 180284416 /nfs/dbraw/zinc/28/44/16/180284416.db2.gz DKIOMUBNCBAOQD-PREGVCBESA-N 2 1 280.456 2.377 10 0 CEAEMP CCC1CCC(C[NH3+])([C@@]2(O)CCC[N@@H+](C)CC2)CC1 ZINC000091922485 180286823 /nfs/dbraw/zinc/28/68/23/180286823.db2.gz ZVPHUVPDIDWYOC-UYSNPLJNSA-N 2 1 268.445 2.379 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2cc(C)ccc2[C@@H](C)[NH2+]C)C1 ZINC000092051362 180312973 /nfs/dbraw/zinc/31/29/73/180312973.db2.gz GGCDGSJVUGLEDH-HUUCEWRRSA-N 2 1 292.423 2.375 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2cc(C)ccc2[C@@H](C)[NH2+]C)C1 ZINC000092051362 180312974 /nfs/dbraw/zinc/31/29/74/180312974.db2.gz GGCDGSJVUGLEDH-HUUCEWRRSA-N 2 1 292.423 2.375 10 0 CEAEMP CC[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000092003583 180304949 /nfs/dbraw/zinc/30/49/49/180304949.db2.gz VMRIVMRDQZYIRD-KGLIPLIRSA-N 2 1 277.412 2.058 10 0 CEAEMP CC[NH2+]Cc1cccc2c1ccn2C[C@H]1C[N@@H+](C)CCO1 ZINC000092060166 180315529 /nfs/dbraw/zinc/31/55/29/180315529.db2.gz RPTKSDOIWTZKDP-OAHLLOKOSA-N 2 1 287.407 2.081 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000092274903 180356756 /nfs/dbraw/zinc/35/67/56/180356756.db2.gz FMMZCESBQHMAMF-QWHCGFSZSA-N 2 1 262.422 2.417 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092299691 180358682 /nfs/dbraw/zinc/35/86/82/180358682.db2.gz UNLOTBSAJNLPDU-ZIAGYGMSSA-N 2 1 260.381 2.094 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@H](CO)C(C)C)CC1 ZINC000092392425 180376141 /nfs/dbraw/zinc/37/61/41/180376141.db2.gz QKQPHTINCIYMNF-OAHLLOKOSA-N 2 1 254.418 2.024 10 0 CEAEMP CC(C)[C@H]1CSC(NC[C@H]2CCC[N@@H+](C)C2)=[NH+]1 ZINC000092402487 180377866 /nfs/dbraw/zinc/37/78/66/180377866.db2.gz AVVDTRUZKDHMHC-VXGBXAGGSA-N 2 1 255.431 2.045 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000109684939 186268397 /nfs/dbraw/zinc/26/83/97/186268397.db2.gz ZANOPPNHRJQQHK-QLFBSQMISA-N 2 1 282.428 2.312 10 0 CEAEMP CCC[C@@H](C[NH3+])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109462829 186254308 /nfs/dbraw/zinc/25/43/08/186254308.db2.gz XBZCULGRWKAFAE-INIZCTEOSA-N 2 1 279.403 2.071 10 0 CEAEMP [NH3+]C1CCC(C[N@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC000110371201 186294517 /nfs/dbraw/zinc/29/45/17/186294517.db2.gz HXWGDNLVJFWREH-GPANFISMSA-N 2 1 265.445 2.064 10 0 CEAEMP CCC1(C[N@H+]2CC[C@@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000110371228 186294568 /nfs/dbraw/zinc/29/45/68/186294568.db2.gz CYJYEBVMJZZZFY-MRXNPFEDSA-N 2 1 279.472 2.326 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H](C)CC2)CCOCC1 ZINC000110810560 186326299 /nfs/dbraw/zinc/32/62/99/186326299.db2.gz SHDYFGLMUDEZRC-CQSZACIVSA-N 2 1 254.418 2.125 10 0 CEAEMP Cc1ccc([C@@H](CN)[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977958 186338586 /nfs/dbraw/zinc/33/85/86/186338586.db2.gz HSNFWILHLXKCJY-QGZVFWFLSA-N 2 1 293.430 2.408 10 0 CEAEMP Cc1ccc([C@@H](CN)[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977958 186338587 /nfs/dbraw/zinc/33/85/87/186338587.db2.gz HSNFWILHLXKCJY-QGZVFWFLSA-N 2 1 293.430 2.408 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1cccs1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705134 186313627 /nfs/dbraw/zinc/31/36/27/186313627.db2.gz DIYIAOHSPUBUSE-YPMHNXCESA-N 2 1 267.442 2.162 10 0 CEAEMP C[N@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1(C)C ZINC000110742761 186318441 /nfs/dbraw/zinc/31/84/41/186318441.db2.gz ZKQQIVGOZKEKQJ-HNNXBMFYSA-N 2 1 289.423 2.019 10 0 CEAEMP CCC[C@@H](C)[NH2+]C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757974 186320231 /nfs/dbraw/zinc/32/02/31/186320231.db2.gz VEYBTLFNJSWPOB-KGLIPLIRSA-N 2 1 255.450 2.179 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110746964 186320278 /nfs/dbraw/zinc/32/02/78/186320278.db2.gz BRKNTRCIBJSTLB-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110746964 186320280 /nfs/dbraw/zinc/32/02/80/186320280.db2.gz BRKNTRCIBJSTLB-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110746964 186320282 /nfs/dbraw/zinc/32/02/82/186320282.db2.gz BRKNTRCIBJSTLB-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCN(Cc2oc3ccccc3c2C[NH3+])C[C@@H]1C ZINC000110752412 186320439 /nfs/dbraw/zinc/32/04/39/186320439.db2.gz ALBYYHHHRTUTLB-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CCN1CC[N@H+](Cc2oc3ccccc3c2C[NH3+])C[C@@H]1C ZINC000110752412 186320441 /nfs/dbraw/zinc/32/04/41/186320441.db2.gz ALBYYHHHRTUTLB-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CCN1CC[N@@H+](Cc2oc3ccccc3c2C[NH3+])C[C@@H]1C ZINC000110752412 186320442 /nfs/dbraw/zinc/32/04/42/186320442.db2.gz ALBYYHHHRTUTLB-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755140 186320979 /nfs/dbraw/zinc/32/09/79/186320979.db2.gz GSYFDBFHHSMZNI-HNNXBMFYSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[NH2+]C[C@@H](c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755491 186321312 /nfs/dbraw/zinc/32/13/12/186321312.db2.gz FVXGOMYLQKNNEF-INIZCTEOSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[NH2+]Cc1oc(CN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000110755325 186321459 /nfs/dbraw/zinc/32/14/59/186321459.db2.gz ZWCIJUQSUPMJGD-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP CC[N@H+]1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)C[C@@H]1C ZINC000110752541 186321709 /nfs/dbraw/zinc/32/17/09/186321709.db2.gz MIGGZLHFHNEQIJ-HNNXBMFYSA-N 2 1 287.451 2.465 10 0 CEAEMP CCN1CC[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C[C@@H]1C ZINC000110752541 186321710 /nfs/dbraw/zinc/32/17/10/186321710.db2.gz MIGGZLHFHNEQIJ-HNNXBMFYSA-N 2 1 287.451 2.465 10 0 CEAEMP CCN1CC[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C[C@@H]1C ZINC000110752541 186321712 /nfs/dbraw/zinc/32/17/12/186321712.db2.gz MIGGZLHFHNEQIJ-HNNXBMFYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC000111150368 186360375 /nfs/dbraw/zinc/36/03/75/186360375.db2.gz BXIFMIFPEBFXDJ-UHFFFAOYSA-N 3 1 263.429 2.180 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000111150368 186360376 /nfs/dbraw/zinc/36/03/76/186360376.db2.gz BXIFMIFPEBFXDJ-UHFFFAOYSA-N 3 1 263.429 2.180 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000111164420 186363373 /nfs/dbraw/zinc/36/33/73/186363373.db2.gz VFTGSTYFHIXNQP-CQSZACIVSA-N 2 1 254.418 2.123 10 0 CEAEMP CCOCC[N@@H+](CC)[C@H](CC[NH3+])c1ccccc1 ZINC000111117253 186354656 /nfs/dbraw/zinc/35/46/56/186354656.db2.gz IEHUELRJOZKVLQ-OAHLLOKOSA-N 2 1 250.386 2.435 10 0 CEAEMP CCOCC[N@@H+](CC)CCCOc1cccc(C[NH3+])c1 ZINC000111117242 186355680 /nfs/dbraw/zinc/35/56/80/186355680.db2.gz XHBABVWUYCEVJX-UHFFFAOYSA-N 2 1 280.412 2.273 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000111171774 186365079 /nfs/dbraw/zinc/36/50/79/186365079.db2.gz NKSSGKCLGUEIKG-KKUMJFAQSA-N 2 1 254.418 2.252 10 0 CEAEMP CC(C)C[N@@H+](C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111324866 186399288 /nfs/dbraw/zinc/39/92/88/186399288.db2.gz UHWJGLPXBDOTRO-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]C[C@]1(C[N@H+](C)Cc2cccc(OC)c2)CCCOC1 ZINC000111328745 186399378 /nfs/dbraw/zinc/39/93/78/186399378.db2.gz HSJHCFCBKOTXRG-KRWDZBQOSA-N 2 1 292.423 2.143 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2cccc(OC)c2)CCCOC1 ZINC000111328745 186399379 /nfs/dbraw/zinc/39/93/79/186399379.db2.gz HSJHCFCBKOTXRG-KRWDZBQOSA-N 2 1 292.423 2.143 10 0 CEAEMP CCN1CCC[C@@H]1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000092633500 539827668 /nfs/dbraw/zinc/82/76/68/539827668.db2.gz FOMQVYUYRGLEBL-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)CCCC1CC[NH2+]CC1 ZINC000092633500 539827671 /nfs/dbraw/zinc/82/76/71/539827671.db2.gz FOMQVYUYRGLEBL-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)CCCC1CC[NH2+]CC1 ZINC000092633500 539827675 /nfs/dbraw/zinc/82/76/75/539827675.db2.gz FOMQVYUYRGLEBL-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000336191959 213010823 /nfs/dbraw/zinc/01/08/23/213010823.db2.gz GIIICJXVTFCDCT-CQSZACIVSA-N 2 1 258.369 2.137 10 0 CEAEMP C[C@H]([NH3+])CC[NH2+]Cc1sccc1Br ZINC000087575913 363860910 /nfs/dbraw/zinc/86/09/10/363860910.db2.gz OFNNJOAMMCRWQQ-ZETCQYMHSA-N 2 1 263.204 2.338 10 0 CEAEMP CCCOC(=O)[C@@H](C)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119287906 365248096 /nfs/dbraw/zinc/24/80/96/365248096.db2.gz WCALIYAFFLMKNT-KGLIPLIRSA-N 2 1 293.411 2.424 10 0 CEAEMP c1ccc(C[N@H+]2CCCCC[C@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000635023069 369058995 /nfs/dbraw/zinc/05/89/95/369058995.db2.gz RLMADAWTROWQGQ-ROUUACIJSA-N 2 1 287.451 2.383 10 0 CEAEMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730174 371239684 /nfs/dbraw/zinc/23/96/84/371239684.db2.gz MLMVWFSMCTVGJE-LSDHHAIUSA-N 2 1 299.418 2.435 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSc3ccccc3)C[C@@H]12 ZINC000261558240 371645951 /nfs/dbraw/zinc/64/59/51/371645951.db2.gz DBNBYFAWUNPPNB-BPLDGKMQSA-N 2 1 262.422 2.448 10 0 CEAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261579377 371659549 /nfs/dbraw/zinc/65/95/49/371659549.db2.gz DTURRIKELYQHGP-DDUYRFODSA-N 2 1 260.381 2.425 10 0 CEAEMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cnc21 ZINC000261653517 371693761 /nfs/dbraw/zinc/69/37/61/371693761.db2.gz FHQUTEUFZZROEY-INIZCTEOSA-N 2 1 287.411 2.183 10 0 CEAEMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cnc21 ZINC000261653517 371693770 /nfs/dbraw/zinc/69/37/70/371693770.db2.gz FHQUTEUFZZROEY-INIZCTEOSA-N 2 1 287.411 2.183 10 0 CEAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262003785 371797822 /nfs/dbraw/zinc/79/78/22/371797822.db2.gz UKEYCQTYCHSDNV-RRFJBIMHSA-N 2 1 260.381 2.173 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000262030420 371803323 /nfs/dbraw/zinc/80/33/23/371803323.db2.gz XLMRWFINGUEPLQ-RRFJBIMHSA-N 2 1 280.437 2.303 10 0 CEAEMP O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262025074 371803437 /nfs/dbraw/zinc/80/34/37/371803437.db2.gz WOCWNZYLNNRQDS-CZUORRHYSA-N 2 1 296.361 2.072 10 0 CEAEMP CC(C)c1nc([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043247 371810878 /nfs/dbraw/zinc/81/08/78/371810878.db2.gz PJPVCZISTDEIMJ-BBRMVZONSA-N 2 1 292.427 2.372 10 0 CEAEMP CC(C)c1nc([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043247 371810888 /nfs/dbraw/zinc/81/08/88/371810888.db2.gz PJPVCZISTDEIMJ-BBRMVZONSA-N 2 1 292.427 2.372 10 0 CEAEMP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)on1 ZINC000093472053 184681071 /nfs/dbraw/zinc/68/10/71/184681071.db2.gz GHOGAIXYGRDZGP-QLFBSQMISA-N 2 1 263.385 2.383 10 0 CEAEMP CCC1CCC(C[NH3+])(N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000094458979 184804465 /nfs/dbraw/zinc/80/44/65/184804465.db2.gz GOTSPBZYRRQUKH-HWOWSKLDSA-N 2 1 265.445 2.064 10 0 CEAEMP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094459601 184804677 /nfs/dbraw/zinc/80/46/77/184804677.db2.gz QHTGJAZYDCMMQH-ZACQAIPSSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[NH2+][C@H]1[C@H](C[N@@H+](C)CC(C)(C)O)CCCC1(C)C ZINC000094289004 184775800 /nfs/dbraw/zinc/77/58/00/184775800.db2.gz HOTJGROZNHJRIL-KBPBESRZSA-N 2 1 270.461 2.494 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C1CC1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000094466045 184806213 /nfs/dbraw/zinc/80/62/13/184806213.db2.gz SGEBOJNJJUYORF-SJORKVTESA-N 2 1 279.472 2.325 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000092957675 135077509 /nfs/dbraw/zinc/07/75/09/135077509.db2.gz FBORPFHERXNERL-HZPDHXFCSA-N 2 1 273.424 2.115 10 0 CEAEMP C[C@@H]1[NH2+]CC[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957721 135077631 /nfs/dbraw/zinc/07/76/31/135077631.db2.gz LDDFOMIKJXNFFY-KBPBESRZSA-N 2 1 293.842 2.460 10 0 CEAEMP C[C@@H]([NH3+])Cc1ccccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094444575 135088612 /nfs/dbraw/zinc/08/86/12/135088612.db2.gz HISYOXXVTXEVLG-GDBMZVCRSA-N 2 1 273.424 2.251 10 0 CEAEMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)CC(F)(F)F ZINC000423011267 394881754 /nfs/dbraw/zinc/88/17/54/394881754.db2.gz ILWGXUDZHGUUDL-GRYCIOLGSA-N 2 1 282.350 2.200 10 0 CEAEMP CO[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189695 395161859 /nfs/dbraw/zinc/16/18/59/395161859.db2.gz IHIAWLZKSJYLFI-CVEARBPZSA-N 2 1 262.397 2.448 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396621711 395217247 /nfs/dbraw/zinc/21/72/47/395217247.db2.gz VCXRSPMVTRCEPQ-AHCXZYCDSA-N 2 1 287.451 2.237 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000218920145 400309194 /nfs/dbraw/zinc/30/91/94/400309194.db2.gz JBOZRQSRCAQTKV-JKSUJKDBSA-N 2 1 295.471 2.083 10 0 CEAEMP CCn1cnnc1[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191587891 153183037 /nfs/dbraw/zinc/18/30/37/153183037.db2.gz GPRVWIACVGXJAW-HNNXBMFYSA-N 2 1 293.459 2.209 10 0 CEAEMP CCn1cnnc1[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191587891 153183042 /nfs/dbraw/zinc/18/30/42/153183042.db2.gz GPRVWIACVGXJAW-HNNXBMFYSA-N 2 1 293.459 2.209 10 0 CEAEMP CCCCOC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000195178386 153274983 /nfs/dbraw/zinc/27/49/83/153274983.db2.gz LXDMCDGOSQYJHO-IRXDYDNUSA-N 2 1 298.471 2.114 10 0 CEAEMP CC[C@H](C)C[C@](CC)(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217720 171080421 /nfs/dbraw/zinc/08/04/21/171080421.db2.gz CBYXFOQSWRYYQD-LSDHHAIUSA-N 2 1 255.450 2.168 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000020358550 171157584 /nfs/dbraw/zinc/15/75/84/171157584.db2.gz BBDARWCNTUKTAL-KBPBESRZSA-N 2 1 283.460 2.144 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000020358550 171157586 /nfs/dbraw/zinc/15/75/86/171157586.db2.gz BBDARWCNTUKTAL-KBPBESRZSA-N 2 1 283.460 2.144 10 0 CEAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022211704 171374031 /nfs/dbraw/zinc/37/40/31/171374031.db2.gz UPNZHPTZVINGTP-MJBXVCDLSA-N 2 1 289.423 2.450 10 0 CEAEMP NC(=S)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694040 174377977 /nfs/dbraw/zinc/37/79/77/174377977.db2.gz GBVRYTUAEAZGAE-UHFFFAOYSA-N 2 1 269.458 2.003 10 0 CEAEMP C[NH+](C)CC1CCN([C@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000042392630 174707442 /nfs/dbraw/zinc/70/74/42/174707442.db2.gz NLTDHDVWNUOASO-ZWKOTPCHSA-N 2 1 287.451 2.275 10 0 CEAEMP C[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000043818245 175113006 /nfs/dbraw/zinc/11/30/06/175113006.db2.gz RBUZWXQDLANOQS-OAHLLOKOSA-N 2 1 287.407 2.331 10 0 CEAEMP C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818022 175113146 /nfs/dbraw/zinc/11/31/46/175113146.db2.gz MOJPIQRJRKXYRU-MSOLQXFVSA-N 2 1 287.451 2.290 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)C(C)C)OCCO2 ZINC000043883153 175116259 /nfs/dbraw/zinc/11/62/59/175116259.db2.gz RJWWRHPEQDFIRY-LSDHHAIUSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)C(C)C)OCCO2 ZINC000043883153 175116260 /nfs/dbraw/zinc/11/62/60/175116260.db2.gz RJWWRHPEQDFIRY-LSDHHAIUSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903800 175122514 /nfs/dbraw/zinc/12/25/14/175122514.db2.gz HBSDFTPGKDHSLH-ZNMIVQPWSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966879 175127965 /nfs/dbraw/zinc/12/79/65/175127965.db2.gz UXDLSLZEOABBGR-RRFJBIMHSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966879 175127967 /nfs/dbraw/zinc/12/79/67/175127967.db2.gz UXDLSLZEOABBGR-RRFJBIMHSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747044 175242563 /nfs/dbraw/zinc/24/25/63/175242563.db2.gz XJOYNNKMXSMUFW-MRXNPFEDSA-N 2 1 260.381 2.453 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000044794781 175254624 /nfs/dbraw/zinc/25/46/24/175254624.db2.gz MJDVDQOBRPKFGB-CQSZACIVSA-N 2 1 283.460 2.132 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279131 175349046 /nfs/dbraw/zinc/34/90/46/175349046.db2.gz WXVWVDQNBAAKCP-SQWLQELKSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279131 175349048 /nfs/dbraw/zinc/34/90/48/175349048.db2.gz WXVWVDQNBAAKCP-SQWLQELKSA-N 2 1 283.460 2.131 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](C)C1CCCCC1 ZINC000045379125 175368793 /nfs/dbraw/zinc/36/87/93/175368793.db2.gz MIMOIIRZGVKNEP-OAHLLOKOSA-N 2 1 270.417 2.312 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)CC(C)C)C(N)=O ZINC000045381725 175370341 /nfs/dbraw/zinc/37/03/41/175370341.db2.gz NLTWYSABAKSWEM-MRXNPFEDSA-N 2 1 285.476 2.378 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384326 175371085 /nfs/dbraw/zinc/37/10/85/175371085.db2.gz PZTUUXDREUTGJY-HOCLYGCPSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045387406 175372830 /nfs/dbraw/zinc/37/28/30/175372830.db2.gz NEMCEJJAKOFKIJ-OAHLLOKOSA-N 2 1 270.417 2.312 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386554 175372961 /nfs/dbraw/zinc/37/29/61/175372961.db2.gz BUCHURCXHLSWJM-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386554 175372963 /nfs/dbraw/zinc/37/29/63/175372963.db2.gz BUCHURCXHLSWJM-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC(CC)[N@@H+](C)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045391389 175374838 /nfs/dbraw/zinc/37/48/38/175374838.db2.gz JUKYKZIZYNABPI-AWEZNQCLSA-N 2 1 258.406 2.168 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393018 175375482 /nfs/dbraw/zinc/37/54/82/175375482.db2.gz NXTMYCZEJILZOA-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393018 175375483 /nfs/dbraw/zinc/37/54/83/175375483.db2.gz NXTMYCZEJILZOA-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419336 175377899 /nfs/dbraw/zinc/37/78/99/175377899.db2.gz RDYPBEHWWBFYTM-LZWOXQAQSA-N 2 1 282.428 2.169 10 0 CEAEMP CCCC[N@@H+](CCCC[C@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045421743 175380629 /nfs/dbraw/zinc/38/06/29/175380629.db2.gz NAPYYWPYWAVCJS-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)c1ccc(F)c(F)c1 ZINC000070402711 175911693 /nfs/dbraw/zinc/91/16/93/175911693.db2.gz AUWHVQQLMIXNIM-ZDUSSCGKSA-N 2 1 263.291 2.445 10 0 CEAEMP CCOC(=O)C1CC[NH+](C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000070941100 176014462 /nfs/dbraw/zinc/01/44/62/176014462.db2.gz WNRYJSQGFZSRIU-INIZCTEOSA-N 2 1 290.407 2.004 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000071161812 176046042 /nfs/dbraw/zinc/04/60/42/176046042.db2.gz BUXHJWXUGOMJOS-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000071161812 176046043 /nfs/dbraw/zinc/04/60/43/176046043.db2.gz BUXHJWXUGOMJOS-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188950 176063504 /nfs/dbraw/zinc/06/35/04/176063504.db2.gz YCIUODDSONHDOM-LVQVYYBASA-N 2 1 267.461 2.022 10 0 CEAEMP CCC[C@H]([NH2+]C)[C@@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188868 176063518 /nfs/dbraw/zinc/06/35/18/176063518.db2.gz PXVQIFMVLGKBSH-QLFBSQMISA-N 2 1 255.450 2.037 10 0 CEAEMP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188891 176063784 /nfs/dbraw/zinc/06/37/84/176063784.db2.gz QEEHYHXHMLUPEX-JLSDUUJJSA-N 2 1 287.451 2.145 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189185 176064172 /nfs/dbraw/zinc/06/41/72/176064172.db2.gz RYQYBDAULNYYKF-HIFRSBDPSA-N 2 1 291.464 2.287 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189185 176064173 /nfs/dbraw/zinc/06/41/73/176064173.db2.gz RYQYBDAULNYYKF-HIFRSBDPSA-N 2 1 291.464 2.287 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189185 176064175 /nfs/dbraw/zinc/06/41/75/176064175.db2.gz RYQYBDAULNYYKF-HIFRSBDPSA-N 2 1 291.464 2.287 10 0 CEAEMP CC(C)[C@@H]1CC[C@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190575 176066136 /nfs/dbraw/zinc/06/61/36/176066136.db2.gz DRGJHKJCSCSYOW-FPCVCCKLSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190575 176066137 /nfs/dbraw/zinc/06/61/37/176066137.db2.gz DRGJHKJCSCSYOW-FPCVCCKLSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190575 176066138 /nfs/dbraw/zinc/06/61/38/176066138.db2.gz DRGJHKJCSCSYOW-FPCVCCKLSA-N 2 1 268.445 2.056 10 0 CEAEMP CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190586 176066527 /nfs/dbraw/zinc/06/65/27/176066527.db2.gz FLUJEAHBDVTLQY-DJIMGWMZSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@H]([C@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190586 176066528 /nfs/dbraw/zinc/06/65/28/176066528.db2.gz FLUJEAHBDVTLQY-DJIMGWMZSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@H]([C@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190586 176066529 /nfs/dbraw/zinc/06/65/29/176066529.db2.gz FLUJEAHBDVTLQY-DJIMGWMZSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191396 176069670 /nfs/dbraw/zinc/06/96/70/176069670.db2.gz JBMZUBNTWXKQOX-OWCLPIDISA-N 2 1 267.461 2.038 10 0 CEAEMP C[C@H](CC[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192029 176071146 /nfs/dbraw/zinc/07/11/46/176071146.db2.gz YCVHHDDVCPRMCQ-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CN(Cc1oc2ccccc2c1C[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071191819 176071190 /nfs/dbraw/zinc/07/11/90/176071190.db2.gz WTPKTWWDIWMWIH-CYBMUJFWSA-N 2 1 287.407 2.275 10 0 CEAEMP C[N@@H+](Cc1oc2ccccc2c1C[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071191819 176071192 /nfs/dbraw/zinc/07/11/92/176071192.db2.gz WTPKTWWDIWMWIH-CYBMUJFWSA-N 3 1 287.407 2.275 10 0 CEAEMP C[N@H+](Cc1oc2ccccc2c1C[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071191819 176071193 /nfs/dbraw/zinc/07/11/93/176071193.db2.gz WTPKTWWDIWMWIH-CYBMUJFWSA-N 3 1 287.407 2.275 10 0 CEAEMP C[NH+](Cc1oc2ccccc2c1C[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071191819 176071194 /nfs/dbraw/zinc/07/11/94/176071194.db2.gz WTPKTWWDIWMWIH-CYBMUJFWSA-N 3 1 287.407 2.275 10 0 CEAEMP C[NH+](Cc1oc2ccccc2c1C[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071191819 176071195 /nfs/dbraw/zinc/07/11/95/176071195.db2.gz WTPKTWWDIWMWIH-CYBMUJFWSA-N 3 1 287.407 2.275 10 0 CEAEMP C[C@H]1CCC[C@@H]([NH2+]CCN(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071192377 176073496 /nfs/dbraw/zinc/07/34/96/176073496.db2.gz CZHOQXJZHIEZOF-ARFHVFGLSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000071200519 176077669 /nfs/dbraw/zinc/07/76/69/176077669.db2.gz IZBVKUUMDZGUMK-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP COCC[N@H+](Cc1ccc(F)cc1C[NH3+])CC(C)C ZINC000071263408 176096611 /nfs/dbraw/zinc/09/66/11/176096611.db2.gz QJPHMONORAGLHQ-UHFFFAOYSA-N 2 1 268.376 2.389 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267894 176101683 /nfs/dbraw/zinc/10/16/83/176101683.db2.gz OOPWVGMDMLJULN-NSHDSACASA-N 2 1 281.375 2.357 10 0 CEAEMP CCC[NH2+]CCCCCC[N@H+]1CC[C@@H](N(C)C)C1 ZINC000071289977 176110284 /nfs/dbraw/zinc/11/02/84/176110284.db2.gz HYVZCGFHCORMKK-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCCCCN1CC[C@@H]([NH+](C)C)C1 ZINC000071289977 176110285 /nfs/dbraw/zinc/11/02/85/176110285.db2.gz HYVZCGFHCORMKK-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268362 277185767 /nfs/dbraw/zinc/18/57/67/277185767.db2.gz AWSUADWUYANQIP-STQMWFEESA-N 2 1 258.356 2.449 10 0 CEAEMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268362 277185770 /nfs/dbraw/zinc/18/57/70/277185770.db2.gz AWSUADWUYANQIP-STQMWFEESA-N 2 1 258.356 2.449 10 0 CEAEMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268362 277185772 /nfs/dbraw/zinc/18/57/72/277185772.db2.gz AWSUADWUYANQIP-STQMWFEESA-N 2 1 258.356 2.449 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400767021 279348506 /nfs/dbraw/zinc/34/85/06/279348506.db2.gz ZIFSOCWJOPTZAH-HLLBOEOZSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400767021 279348507 /nfs/dbraw/zinc/34/85/07/279348507.db2.gz ZIFSOCWJOPTZAH-HLLBOEOZSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H]([NH3+])CC[NH2+]Cc1cc(Br)ccc1F ZINC000258854272 280527521 /nfs/dbraw/zinc/52/75/21/280527521.db2.gz XUQICQFMQZIZJV-QMMMGPOBSA-N 2 1 275.165 2.415 10 0 CEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH+]1CCCCC1 ZINC000161952759 281194891 /nfs/dbraw/zinc/19/48/91/281194891.db2.gz PPLBFTGMEIOBHU-DLBZAZTESA-N 2 1 279.472 2.421 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCO3)C2)[nH+]1 ZINC000249903532 281246099 /nfs/dbraw/zinc/24/60/99/281246099.db2.gz UGVCHBKMMBQRIE-LSDHHAIUSA-N 2 1 275.396 2.303 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C2)[nH+]1 ZINC000249903532 281246100 /nfs/dbraw/zinc/24/61/00/281246100.db2.gz UGVCHBKMMBQRIE-LSDHHAIUSA-N 2 1 275.396 2.303 10 0 CEAEMP C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000577204738 314351901 /nfs/dbraw/zinc/35/19/01/314351901.db2.gz DDAUDCZHAZPHQC-BHYGNILZSA-N 2 1 275.440 2.267 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643313 519736750 /nfs/dbraw/zinc/73/67/50/519736750.db2.gz BUERWKKNFCEHML-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)CN1CCC(C[NH+](C)C)CC1 ZINC000052515271 519745516 /nfs/dbraw/zinc/74/55/16/519745516.db2.gz IZAIOYSEYPBJPU-HNNXBMFYSA-N 2 1 269.477 2.142 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc(N2CCC[N@@H+](C)CC2)s1 ZINC000054899105 519748445 /nfs/dbraw/zinc/74/84/45/519748445.db2.gz UGXMAYNUTQNMIP-UHFFFAOYSA-N 2 1 282.457 2.031 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000068641361 520235528 /nfs/dbraw/zinc/23/55/28/520235528.db2.gz NSHJCGDUVBOJNH-CXAGYDPISA-N 2 1 297.487 2.377 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)CCCc1ccccc1 ZINC000062740943 520307164 /nfs/dbraw/zinc/30/71/64/520307164.db2.gz RMBZGWZOIZGQFU-MRXNPFEDSA-N 2 1 264.413 2.305 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2F)O1 ZINC000052541461 522058378 /nfs/dbraw/zinc/05/83/78/522058378.db2.gz LQSSPBVMBLLQOG-UONOGXRCSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1C[N@@H+](C)CCOC ZINC000052572904 522099644 /nfs/dbraw/zinc/09/96/44/522099644.db2.gz WVUIDDNUNFENKE-UHFFFAOYSA-N 2 1 262.353 2.230 10 0 CEAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400489606 533968011 /nfs/dbraw/zinc/96/80/11/533968011.db2.gz YTJLXDAORYWNIO-GRYCIOLGSA-N 2 1 266.360 2.483 10 0 CEAEMP CC(C)(C)[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711766 518752749 /nfs/dbraw/zinc/75/27/49/518752749.db2.gz HGSZYWOOFMRYBF-CQSZACIVSA-N 2 1 268.445 2.392 10 0 CEAEMP CC(C)(C)[NH2+]CCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540104 518755487 /nfs/dbraw/zinc/75/54/87/518755487.db2.gz AUBBGVPDIJMLIL-UONOGXRCSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCSCC2)O1 ZINC000052371159 518761498 /nfs/dbraw/zinc/76/14/98/518761498.db2.gz FLJHXTGRXUWIAF-UONOGXRCSA-N 2 1 286.485 2.361 10 0 CEAEMP CC(C)(C)c1nc(N2CC[NH+](C3CC3)CC2)sc1C[NH3+] ZINC000055002230 519104001 /nfs/dbraw/zinc/10/40/01/519104001.db2.gz ULMWQRXSVSYMSN-UHFFFAOYSA-N 2 1 294.468 2.184 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@H+]1C ZINC000052206055 519339695 /nfs/dbraw/zinc/33/96/95/519339695.db2.gz PVXWKZBFROIWRC-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206055 519339701 /nfs/dbraw/zinc/33/97/01/519339701.db2.gz PVXWKZBFROIWRC-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052206055 519339708 /nfs/dbraw/zinc/33/97/08/519339708.db2.gz PVXWKZBFROIWRC-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602691 519613383 /nfs/dbraw/zinc/61/33/83/519613383.db2.gz XEOAFSBASNRVNE-MQVJKMGUSA-N 2 1 267.461 2.451 10 0 CEAEMP CC(C)[N@H+](C)CCCC[NH+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602691 519613390 /nfs/dbraw/zinc/61/33/90/519613390.db2.gz XEOAFSBASNRVNE-MQVJKMGUSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602691 519613395 /nfs/dbraw/zinc/61/33/95/519613395.db2.gz XEOAFSBASNRVNE-MQVJKMGUSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602691 519613400 /nfs/dbraw/zinc/61/34/00/519613400.db2.gz XEOAFSBASNRVNE-MQVJKMGUSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602691 519613404 /nfs/dbraw/zinc/61/34/04/519613404.db2.gz XEOAFSBASNRVNE-MQVJKMGUSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCC[C@H]1CN(C)C ZINC000061654653 519720416 /nfs/dbraw/zinc/72/04/16/519720416.db2.gz SQWZJXTUBVBHPN-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476104 519728033 /nfs/dbraw/zinc/72/80/33/519728033.db2.gz ITHKGFBOQXRNCY-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@@H]1C ZINC000052476104 519728034 /nfs/dbraw/zinc/72/80/34/519728034.db2.gz ITHKGFBOQXRNCY-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)C(C)C)nn1 ZINC000052478535 519747959 /nfs/dbraw/zinc/74/79/59/519747959.db2.gz KDEUTNNREDYNIV-AWEZNQCLSA-N 2 1 281.448 2.000 10 0 CEAEMP CC(C)[C@@H](C)[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052478533 519791196 /nfs/dbraw/zinc/79/11/96/519791196.db2.gz IBJDINYOXPOVOG-CYBMUJFWSA-N 2 1 281.448 2.143 10 0 CEAEMP CCC[NH+]1CCN([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052421971 519859414 /nfs/dbraw/zinc/85/94/14/519859414.db2.gz OUUKVGFJZZNDJG-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC1CCC([N@H+](C)CC[C@@H]([NH2+]C(C)C)C(N)=O)CC1 ZINC000062525934 519853288 /nfs/dbraw/zinc/85/32/88/519853288.db2.gz PCKNAVQGYUVNQL-YMAMQOFZSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC1CCC([N@@H+](C)CC[C@@H]([NH2+]C(C)C)C(N)=O)CC1 ZINC000062525934 519853290 /nfs/dbraw/zinc/85/32/90/519853290.db2.gz PCKNAVQGYUVNQL-YMAMQOFZSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+]C(C)(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000061296787 519905264 /nfs/dbraw/zinc/90/52/64/519905264.db2.gz UZWWNTZXNXBWEO-UHFFFAOYSA-N 2 1 283.460 2.145 10 0 CEAEMP CC[NH2+]C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000051086776 519908847 /nfs/dbraw/zinc/90/88/47/519908847.db2.gz XHBANDHEPIYHPL-OAHLLOKOSA-N 2 1 260.381 2.064 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCC[N@H+]1C ZINC000054602505 519909807 /nfs/dbraw/zinc/90/98/07/519909807.db2.gz AZVYAOOPMFBUHD-HMQMGEFJSA-N 2 1 279.472 2.466 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181734 519911997 /nfs/dbraw/zinc/91/19/97/519911997.db2.gz ASHWMJFTRGBNLC-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+]CCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573024 519912120 /nfs/dbraw/zinc/91/21/20/519912120.db2.gz YORLDGWLJJCSEC-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197739 519913951 /nfs/dbraw/zinc/91/39/51/519913951.db2.gz LTPPRYRPJHYBNH-HOTGVXAUSA-N 2 1 296.455 2.036 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197739 519913956 /nfs/dbraw/zinc/91/39/56/519913956.db2.gz LTPPRYRPJHYBNH-HOTGVXAUSA-N 2 1 296.455 2.036 10 0 CEAEMP CCC[NH2+]Cc1ccnc(N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000062942211 519958719 /nfs/dbraw/zinc/95/87/19/519958719.db2.gz CUGAGTMEKHTZQG-MRXNPFEDSA-N 2 1 288.439 2.256 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2CC)O1 ZINC000052447824 519977443 /nfs/dbraw/zinc/97/74/43/519977443.db2.gz RUGQAUWCTSQPFS-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCOC[C@H]2CC)cc1 ZINC000052481599 519996076 /nfs/dbraw/zinc/99/60/76/519996076.db2.gz SECKXGMHWGJRSF-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068646982 520111861 /nfs/dbraw/zinc/11/18/61/520111861.db2.gz NQUBRKKVRNCPHE-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068646982 520111865 /nfs/dbraw/zinc/11/18/65/520111865.db2.gz NQUBRKKVRNCPHE-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CC)CC(CC)CC)C(N)=O ZINC000068633484 520140236 /nfs/dbraw/zinc/14/02/36/520140236.db2.gz NSGBPZWBYNIURZ-CJNGLKHVSA-N 2 1 285.476 2.377 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CC)CC(CC)CC)C(N)=O ZINC000068633484 520140245 /nfs/dbraw/zinc/14/02/45/520140245.db2.gz NSGBPZWBYNIURZ-CJNGLKHVSA-N 2 1 285.476 2.377 10 0 CEAEMP CCCC[NH+](CCCC)CC[C@H]([NH2+]CCC)C(N)=O ZINC000062444430 520496295 /nfs/dbraw/zinc/49/62/95/520496295.db2.gz FSWZJTJQIDUHSX-AWEZNQCLSA-N 2 1 271.449 2.132 10 0 CEAEMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(CC)C[NH2+]1 ZINC000068701928 520838956 /nfs/dbraw/zinc/83/89/56/520838956.db2.gz PMKJKVXASFLTDU-CVEARBPZSA-N 2 1 278.444 2.434 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653544 521439004 /nfs/dbraw/zinc/43/90/04/521439004.db2.gz SBMUCGIQFTYPCF-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653544 521439012 /nfs/dbraw/zinc/43/90/12/521439012.db2.gz SBMUCGIQFTYPCF-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCCOCC(F)(F)F ZINC000049312239 521639251 /nfs/dbraw/zinc/63/92/51/521639251.db2.gz GISJNCYFLVIIAE-LLVKDONJSA-N 2 1 268.323 2.029 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCCOCC(F)(F)F ZINC000049312239 521639256 /nfs/dbraw/zinc/63/92/56/521639256.db2.gz GISJNCYFLVIIAE-LLVKDONJSA-N 2 1 268.323 2.029 10 0 CEAEMP CCC1(C)CC[NH+]([C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000068645263 521678309 /nfs/dbraw/zinc/67/83/09/521678309.db2.gz LPJGSSNGDKEBLU-GUYCJALGSA-N 2 1 295.471 2.273 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[NH2+]CC2(C)C)c1C ZINC000068698159 521811146 /nfs/dbraw/zinc/81/11/46/521811146.db2.gz NJXXPVCHONVSKF-GFCCVEGCSA-N 2 1 277.412 2.279 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182324 521969929 /nfs/dbraw/zinc/96/99/29/521969929.db2.gz JYPUZGLOXHOEPI-CYBMUJFWSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]CCCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416955 521992760 /nfs/dbraw/zinc/99/27/60/521992760.db2.gz ZFNYKRQMNWSBAN-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP CC[C@@H](C)[N@@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052451263 522084878 /nfs/dbraw/zinc/08/48/78/522084878.db2.gz UJSFZKVYWHEFHD-CYBMUJFWSA-N 2 1 281.448 2.287 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453641 522133215 /nfs/dbraw/zinc/13/32/15/522133215.db2.gz TXVJPUWQXJBRIC-CQSZACIVSA-N 2 1 250.411 2.343 10 0 CEAEMP C[NH2+]Cc1occc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573117 522163851 /nfs/dbraw/zinc/16/38/51/522163851.db2.gz BFHHEJSEGYQBLU-UONOGXRCSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1occc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573117 522163860 /nfs/dbraw/zinc/16/38/60/522163860.db2.gz BFHHEJSEGYQBLU-UONOGXRCSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+][C@@H]1CCCc2nc(N(C)[C@@H]3CCC[N@@H+](C)C3)sc21 ZINC000054905597 522390127 /nfs/dbraw/zinc/39/01/27/522390127.db2.gz QEZAJBPMLZPFQV-VXGBXAGGSA-N 2 1 294.468 2.270 10 0 CEAEMP C[N@H+](C[C@@H]1CCCO1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023228 523055705 /nfs/dbraw/zinc/05/57/05/523055705.db2.gz ZZBCVTCSWRFYFA-KBPBESRZSA-N 2 1 261.369 2.165 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCO1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023228 523055711 /nfs/dbraw/zinc/05/57/11/523055711.db2.gz ZZBCVTCSWRFYFA-KBPBESRZSA-N 2 1 261.369 2.165 10 0 CEAEMP C[N@H+](Cc1ccnc(C(N)=[NH2+])c1)CC1CCCCC1 ZINC000068761435 523449726 /nfs/dbraw/zinc/44/97/26/523449726.db2.gz RJMIBCRTGCLJAN-UHFFFAOYSA-N 2 1 260.385 2.378 10 0 CEAEMP C[N@H+]1CCC[C@H]1CCOCCCCC[NH2+]C1CC1 ZINC000052673582 523846270 /nfs/dbraw/zinc/84/62/70/523846270.db2.gz WTFGSOOGNJEMKC-HNNXBMFYSA-N 2 1 254.418 2.410 10 0 CEAEMP COc1ccc(C[N@@H+](C)Cc2occc2C[NH3+])cc1 ZINC000052541610 524008506 /nfs/dbraw/zinc/00/85/06/524008506.db2.gz BIZYLVBLCSNJBL-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP C[C@H]1CC[NH+](Cc2ccc3c(c2)OCO3)CC[C@H](C)[NH2+]1 ZINC000061675046 524296171 /nfs/dbraw/zinc/29/61/71/524296171.db2.gz RFCDMEGXNJJEME-STQMWFEESA-N 2 1 276.380 2.378 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCCC1 ZINC000062078341 524494417 /nfs/dbraw/zinc/49/44/17/524494417.db2.gz LGRDRNGMKDLMKA-OWCLPIDISA-N 2 1 267.461 2.038 10 0 CEAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCCC1 ZINC000062078341 524494424 /nfs/dbraw/zinc/49/44/24/524494424.db2.gz LGRDRNGMKDLMKA-OWCLPIDISA-N 3 1 267.461 2.038 10 0 CEAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCCC1 ZINC000062078341 524494429 /nfs/dbraw/zinc/49/44/29/524494429.db2.gz LGRDRNGMKDLMKA-OWCLPIDISA-N 3 1 267.461 2.038 10 0 CEAEMP C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000068629635 524658062 /nfs/dbraw/zinc/65/80/62/524658062.db2.gz GFIXVOAAXKXPHI-YYIAUSFCSA-N 2 1 279.472 2.310 10 0 CEAEMP Cc1ccc[nH+]c1N(CCC(N)=[NH2+])Cc1cccnc1 ZINC000051040819 525533427 /nfs/dbraw/zinc/53/34/27/525533427.db2.gz DFJKKPQIBVONSJ-UHFFFAOYSA-N 2 1 269.352 2.118 10 0 CEAEMP Cc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH2+]C(C)C ZINC000054968950 526964340 /nfs/dbraw/zinc/96/43/40/526964340.db2.gz LDIJPWCACGOENH-UHFFFAOYSA-N 2 1 282.457 2.091 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182010 527163155 /nfs/dbraw/zinc/16/31/55/527163155.db2.gz UUPHXTZMTDXDIJ-CABCVRRESA-N 2 1 266.429 2.397 10 0 CEAEMP [NH3+]C[C@@]1(N2CC[C@H](c3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000061990767 527222941 /nfs/dbraw/zinc/22/29/41/527222941.db2.gz SQHDNFPSKQPDKS-WMZOPIPTSA-N 2 1 285.435 2.042 10 0 CEAEMP [NH3+]Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000061702138 527257214 /nfs/dbraw/zinc/25/72/14/527257214.db2.gz IPAOYSIABQQELH-INIZCTEOSA-N 2 1 283.375 2.194 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000068693875 527426055 /nfs/dbraw/zinc/42/60/55/527426055.db2.gz FIRCSAFRKXSHHH-MRXNPFEDSA-N 2 1 276.428 2.046 10 0 CEAEMP CC(C)[C@@H]1O[C@@]2(CCC[N@@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143735 574510314 /nfs/dbraw/zinc/51/03/14/574510314.db2.gz MQOJBJFFNDGCGV-DZGCQCFKSA-N 2 1 252.402 2.223 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc4ccccc4s3)C[C@@H]12 ZINC000261670013 623427476 /nfs/dbraw/zinc/42/74/76/623427476.db2.gz ZZINYJUPGGCXQX-IJLUTSLNSA-N 2 1 273.405 2.465 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4ccccc4s3)C[C@@H]12 ZINC000261670013 623427479 /nfs/dbraw/zinc/42/74/79/623427479.db2.gz ZZINYJUPGGCXQX-IJLUTSLNSA-N 2 1 273.405 2.465 10 0 CEAEMP C[NH2+][C@](C)(CO)C[C@@H](C)[N@@H+](CCC(C)C)C1CC1 ZINC000096836997 185116669 /nfs/dbraw/zinc/11/66/69/185116669.db2.gz HGFCDSYFWPJGHT-HIFRSBDPSA-N 2 1 256.434 2.246 10 0 CEAEMP C=CC[N@@H+](C)CCCCCCOC1CC[NH2+]CC1 ZINC000090750574 344143049 /nfs/dbraw/zinc/14/30/49/344143049.db2.gz OHWZOGNLSYFKRL-UHFFFAOYSA-N 2 1 254.418 2.433 10 0 CEAEMP Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623922 344756182 /nfs/dbraw/zinc/75/61/82/344756182.db2.gz CDMJPUBARHXIKJ-DOTOQJQBSA-N 2 1 299.418 2.419 10 0 CEAEMP Cc1ccc([C@H](O)C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623922 344756184 /nfs/dbraw/zinc/75/61/84/344756184.db2.gz CDMJPUBARHXIKJ-DOTOQJQBSA-N 2 1 299.418 2.419 10 0 CEAEMP CC(C)c1nc2c(n1C[C@@H]1CCCC[N@H+]1C)CC[NH2+]C2 ZINC000085572837 179098015 /nfs/dbraw/zinc/09/80/15/179098015.db2.gz GPJANMRFFQRJFD-ZDUSSCGKSA-N 2 1 276.428 2.137 10 0 CEAEMP CC[N@H+]1CC[C@H](Cn2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085570475 179096194 /nfs/dbraw/zinc/09/61/94/179096194.db2.gz ADXIHXZZGASULY-AWEZNQCLSA-N 2 1 290.455 2.069 10 0 CEAEMP C[N@H+]1CC[C@H](n2c3c(nc2C2CCCCC2)C[NH2+]CC3)C1 ZINC000085607102 179101131 /nfs/dbraw/zinc/10/11/31/179101131.db2.gz HSCFADMQSGZVDA-AWEZNQCLSA-N 2 1 288.439 2.453 10 0 CEAEMP Cn1c2ccccc2[nH+]c1NCC1(C)CC[NH2+]CC1 ZINC000129447781 365859092 /nfs/dbraw/zinc/85/90/92/365859092.db2.gz PLORCQPATHTOHF-UHFFFAOYSA-N 2 1 258.369 2.375 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086173729 179244119 /nfs/dbraw/zinc/24/41/19/179244119.db2.gz AFLHUGRBBIJFPQ-ZACQAIPSSA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086173703 179244493 /nfs/dbraw/zinc/24/44/93/179244493.db2.gz QQPPEAIKAZMYBL-BZUAXINKSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086173680 179244604 /nfs/dbraw/zinc/24/46/04/179244604.db2.gz OQJFGPMQNNCZFT-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CC1CC[NH+](CC)CC1 ZINC000086173680 179244607 /nfs/dbraw/zinc/24/46/07/179244607.db2.gz OQJFGPMQNNCZFT-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086173846 179244838 /nfs/dbraw/zinc/24/48/38/179244838.db2.gz DOYYFNQAINNHNT-DIECFANBSA-N 2 1 279.472 2.322 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177344 179246533 /nfs/dbraw/zinc/24/65/33/179246533.db2.gz IBGMOXKLVVFBGI-IAGOWNOFSA-N 2 1 273.424 2.117 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223971 179252974 /nfs/dbraw/zinc/25/29/74/179252974.db2.gz KFKRHWOOPQUDPX-JKSUJKDBSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259255 179257676 /nfs/dbraw/zinc/25/76/76/179257676.db2.gz LHOSADJYZMMTKL-OAGGEKHMSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[N@H+](CCc2ccccc2F)CCC[NH2+]1 ZINC000086285748 179263423 /nfs/dbraw/zinc/26/34/23/179263423.db2.gz INDQVUMUJCHDOE-CQSZACIVSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCc2ccccc2F)CCC[NH2+]1 ZINC000086285748 179263426 /nfs/dbraw/zinc/26/34/26/179263426.db2.gz INDQVUMUJCHDOE-CQSZACIVSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@@H]1C[N@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287246 179264502 /nfs/dbraw/zinc/26/45/02/179264502.db2.gz ZQWGASQIWQKSMT-OAHLLOKOSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287246 179264503 /nfs/dbraw/zinc/26/45/03/179264503.db2.gz ZQWGASQIWQKSMT-OAHLLOKOSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288752 179264627 /nfs/dbraw/zinc/26/46/27/179264627.db2.gz NZLZNLGVNODNNV-HOCLYGCPSA-N 2 1 261.413 2.334 10 0 CEAEMP C[N@H+]1CCC[C@@H](N2CCC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086288937 179264867 /nfs/dbraw/zinc/26/48/67/179264867.db2.gz NVSXFLAPBLCVJZ-MSOLQXFVSA-N 2 1 287.451 2.291 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292979 179266361 /nfs/dbraw/zinc/26/63/61/179266361.db2.gz VFWWJQAFVIRVKE-ULQDDVLXSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291491 179266802 /nfs/dbraw/zinc/26/68/02/179266802.db2.gz NBWXRBNSOIFAGC-DOTOQJQBSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291491 179266804 /nfs/dbraw/zinc/26/68/04/179266804.db2.gz NBWXRBNSOIFAGC-DOTOQJQBSA-N 2 1 281.488 2.428 10 0 CEAEMP COC[C@@H](C)C[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293190 179266930 /nfs/dbraw/zinc/26/69/30/179266930.db2.gz MQPJRMMRXCWHFN-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086293384 179268057 /nfs/dbraw/zinc/26/80/57/179268057.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086293384 179268060 /nfs/dbraw/zinc/26/80/60/179268060.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086293384 179268061 /nfs/dbraw/zinc/26/80/61/179268061.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296821 179268363 /nfs/dbraw/zinc/26/83/63/179268363.db2.gz NTUXZXOPSKHQPJ-OLZOCXBDSA-N 2 1 267.442 2.396 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296821 179268364 /nfs/dbraw/zinc/26/83/64/179268364.db2.gz NTUXZXOPSKHQPJ-OLZOCXBDSA-N 2 1 267.442 2.396 10 0 CEAEMP CCC[C@@H]1C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086297986 179268529 /nfs/dbraw/zinc/26/85/29/179268529.db2.gz NTDULKWHIZRYMX-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086297986 179268531 /nfs/dbraw/zinc/26/85/31/179268531.db2.gz NTDULKWHIZRYMX-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+][C@H]1CCCc2sc(N3CCC[N@@H+](C)CC3)nc21 ZINC000086441957 179294137 /nfs/dbraw/zinc/29/41/37/179294137.db2.gz ABDZERZARIJWSA-LBPRGKRZSA-N 2 1 294.468 2.272 10 0 CEAEMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817400 179345310 /nfs/dbraw/zinc/34/53/10/179345310.db2.gz HYKFVYNOZDQZPA-HNNXBMFYSA-N 2 1 286.423 2.419 10 0 CEAEMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818581 179347066 /nfs/dbraw/zinc/34/70/66/179347066.db2.gz RPMMBQBEYBWYOU-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818581 179347069 /nfs/dbraw/zinc/34/70/69/179347069.db2.gz RPMMBQBEYBWYOU-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818581 179347071 /nfs/dbraw/zinc/34/70/71/179347071.db2.gz RPMMBQBEYBWYOU-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC(CC)N(CCOC)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086848162 179355978 /nfs/dbraw/zinc/35/59/78/179355978.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 2 1 299.503 2.327 10 0 CEAEMP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837772 179352100 /nfs/dbraw/zinc/35/21/00/179352100.db2.gz MPONQWBDSBPATF-JKSUJKDBSA-N 2 1 297.487 2.342 10 0 CEAEMP CCN1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086842307 179353720 /nfs/dbraw/zinc/35/37/20/179353720.db2.gz WBTBHNFSMSARNT-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@@H+]1CCC[C@@H](N[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086842307 179353722 /nfs/dbraw/zinc/35/37/22/179353722.db2.gz WBTBHNFSMSARNT-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086842307 179353724 /nfs/dbraw/zinc/35/37/24/179353724.db2.gz WBTBHNFSMSARNT-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@@H](N[C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086842307 179353726 /nfs/dbraw/zinc/35/37/26/179353726.db2.gz WBTBHNFSMSARNT-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@@H](N[C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086842307 179353727 /nfs/dbraw/zinc/35/37/27/179353727.db2.gz WBTBHNFSMSARNT-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086844337 179354440 /nfs/dbraw/zinc/35/44/40/179354440.db2.gz FKAPFSDGYJEJNT-OAHLLOKOSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH+](C)CCN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086844337 179354442 /nfs/dbraw/zinc/35/44/42/179354442.db2.gz FKAPFSDGYJEJNT-OAHLLOKOSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH+](C)CCN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086844337 179354443 /nfs/dbraw/zinc/35/44/43/179354443.db2.gz FKAPFSDGYJEJNT-OAHLLOKOSA-N 2 1 255.450 2.179 10 0 CEAEMP CCN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846674 179355301 /nfs/dbraw/zinc/35/53/01/179355301.db2.gz HBODUIODBUVGEF-HNNXBMFYSA-N 2 1 253.434 2.063 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868244 179360778 /nfs/dbraw/zinc/36/07/78/179360778.db2.gz WWYYMBHIWNMFJN-HNNXBMFYSA-N 2 1 282.453 2.463 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868244 179360781 /nfs/dbraw/zinc/36/07/81/179360781.db2.gz WWYYMBHIWNMFJN-HNNXBMFYSA-N 2 1 282.453 2.463 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086891296 179365890 /nfs/dbraw/zinc/36/58/90/179365890.db2.gz CROVVDPPUYFATI-OAGGEKHMSA-N 2 1 267.461 2.310 10 0 CEAEMP CC(C)[C@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952107 179368770 /nfs/dbraw/zinc/36/87/70/179368770.db2.gz QOQCCWMEXLJLRX-HOTGVXAUSA-N 2 1 268.445 2.249 10 0 CEAEMP C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342606 233176694 /nfs/dbraw/zinc/17/66/94/233176694.db2.gz JDXFSBWLHGIFLG-SZMVWBNQSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342606 233176697 /nfs/dbraw/zinc/17/66/97/233176697.db2.gz JDXFSBWLHGIFLG-SZMVWBNQSA-N 2 1 287.451 2.239 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](CC(C)C)C1CC1 ZINC000090566543 180005209 /nfs/dbraw/zinc/00/52/09/180005209.db2.gz KKLPARBRTHKVPW-HIFRSBDPSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](CCC)CC1CC1 ZINC000090566418 180005327 /nfs/dbraw/zinc/00/53/27/180005327.db2.gz FWYXDGBFEBFZIN-HUUCEWRRSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567042 180006626 /nfs/dbraw/zinc/00/66/26/180006626.db2.gz AINFCZSAOGMXAJ-UONOGXRCSA-N 2 1 254.418 2.123 10 0 CEAEMP Cc1c[nH+]c(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(N)c1 ZINC000090691408 180024799 /nfs/dbraw/zinc/02/47/99/180024799.db2.gz YQEMARVFYXVZED-YHWZYXNKSA-N 2 1 260.385 2.399 10 0 CEAEMP Cc1c[nH+]c(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(N)c1 ZINC000090691408 180024802 /nfs/dbraw/zinc/02/48/02/180024802.db2.gz YQEMARVFYXVZED-YHWZYXNKSA-N 2 1 260.385 2.399 10 0 CEAEMP FC(F)(F)CC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693758 180026329 /nfs/dbraw/zinc/02/63/29/180026329.db2.gz DYULCKHSYRCGHF-MNOVXSKESA-N 2 1 250.308 2.403 10 0 CEAEMP C[N@H+](C[C@@H]1Cc2ccccc2O1)C1(C[NH3+])CCCC1 ZINC000090874031 180050311 /nfs/dbraw/zinc/05/03/11/180050311.db2.gz UXLCSHCBVMJGAW-AWEZNQCLSA-N 2 1 260.381 2.193 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1(C[NH3+])CCCC1 ZINC000090874031 180050314 /nfs/dbraw/zinc/05/03/14/180050314.db2.gz UXLCSHCBVMJGAW-AWEZNQCLSA-N 2 1 260.381 2.193 10 0 CEAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894357 180055991 /nfs/dbraw/zinc/05/59/91/180055991.db2.gz RILHZJYCZXZHTK-VHDGCEQUSA-N 2 1 290.382 2.059 10 0 CEAEMP CC[C@H]1C[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896192 180057307 /nfs/dbraw/zinc/05/73/07/180057307.db2.gz IDNGQCITIVHOCW-GJZGRUSLSA-N 2 1 278.371 2.203 10 0 CEAEMP CC[C@H]1C[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896192 180057312 /nfs/dbraw/zinc/05/73/12/180057312.db2.gz IDNGQCITIVHOCW-GJZGRUSLSA-N 2 1 278.371 2.203 10 0 CEAEMP C[NH+]1CCC([NH2+]C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090903510 180060063 /nfs/dbraw/zinc/06/00/63/180060063.db2.gz YHGVRJYIPZSZSV-CQSZACIVSA-N 2 1 280.799 2.327 10 0 CEAEMP CC(C)C[N@@H+](Cc1csc(CC[NH3+])n1)C1CC1 ZINC000090958306 180074931 /nfs/dbraw/zinc/07/49/31/180074931.db2.gz HOSWYBACMDDMES-UHFFFAOYSA-N 2 1 253.415 2.265 10 0 CEAEMP CC(C)n1c[nH+]cc1Cn1cc(C[NH3+])c2cccnc21 ZINC000091018772 180086817 /nfs/dbraw/zinc/08/68/17/180086817.db2.gz QYURZQTZPLYOQJ-UHFFFAOYSA-N 2 1 269.352 2.321 10 0 CEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1 ZINC000091313763 180132686 /nfs/dbraw/zinc/13/26/86/180132686.db2.gz LRMJLRGBCQTUOM-AWEZNQCLSA-N 2 1 268.788 2.150 10 0 CEAEMP C[NH2+][C@H](CC[N@@H+](C)CC1CC(O)C1)c1ccccc1C ZINC000091490965 180170231 /nfs/dbraw/zinc/17/02/31/180170231.db2.gz KXANUGYHRUELCS-VMBOVVBDSA-N 2 1 276.424 2.348 10 0 CEAEMP CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091498835 180173571 /nfs/dbraw/zinc/17/35/71/180173571.db2.gz CGNFCXIMUYEBBZ-BHDPWAOGSA-N 2 1 282.472 2.494 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091499031 180173690 /nfs/dbraw/zinc/17/36/90/180173690.db2.gz VHUIQLDBIZAUND-AMPGOEKISA-N 2 1 282.472 2.494 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](CCO)C(CC)CC ZINC000091404077 180147206 /nfs/dbraw/zinc/14/72/06/180147206.db2.gz QIVYTNDVRDZHQX-CYBMUJFWSA-N 2 1 258.450 2.494 10 0 CEAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCCC1 ZINC000091564728 180193354 /nfs/dbraw/zinc/19/33/54/180193354.db2.gz ANHPQKPJYVOXFK-AWEZNQCLSA-N 2 1 276.428 2.059 10 0 CEAEMP CCn1nc(C)cc1C[C@@H]([NH3+])C(C)(C)[NH+]1CCCCC1 ZINC000091564524 180193587 /nfs/dbraw/zinc/19/35/87/180193587.db2.gz HAFVRYBFZBWGGR-OAHLLOKOSA-N 2 1 278.444 2.346 10 0 CEAEMP CC[NH2+][C@H](Cc1ncnn1C(C)C)[C@](C)(CC)[NH+](C)C ZINC000091571644 180196319 /nfs/dbraw/zinc/19/63/19/180196319.db2.gz GBTNFQMHXPOMRV-HIFRSBDPSA-N 2 1 281.448 2.110 10 0 CEAEMP CC[C@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCCC1 ZINC000091609684 180205857 /nfs/dbraw/zinc/20/58/57/180205857.db2.gz XSKMDPSOOPTRCT-DLBZAZTESA-N 2 1 290.455 2.449 10 0 CEAEMP CC1CCC([C@@H](N)Cc2cc[nH+]c(N)c2)([NH+](C)C)CC1 ZINC000091648730 180216190 /nfs/dbraw/zinc/21/61/90/180216190.db2.gz FUYHZBPWNVQBSH-UGWHAMFMSA-N 2 1 276.428 2.044 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721525 180238272 /nfs/dbraw/zinc/23/82/72/180238272.db2.gz RFKWTMUIYCCFHO-OIISXLGYSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1F)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721525 180238274 /nfs/dbraw/zinc/23/82/74/180238274.db2.gz RFKWTMUIYCCFHO-OIISXLGYSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](C1CCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721909 180241062 /nfs/dbraw/zinc/24/10/62/180241062.db2.gz WCCLXVDEASMDCC-QLFBSQMISA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+][C@H](C1CCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721909 180241064 /nfs/dbraw/zinc/24/10/64/180241064.db2.gz WCCLXVDEASMDCC-QLFBSQMISA-N 2 1 252.402 2.018 10 0 CEAEMP CC[N@@H+]([C@H](C)c1cn(C)nc1C)C1CCC([NH3+])CC1 ZINC000091849973 180272544 /nfs/dbraw/zinc/27/25/44/180272544.db2.gz GYHBBLBUUXKOGU-IYXRBSQSSA-N 2 1 264.417 2.381 10 0 CEAEMP C[N@@H+](Cc1nnc(-c2ccco2)o1)C1CCC([NH3+])CC1 ZINC000091846848 180270625 /nfs/dbraw/zinc/27/06/25/180270625.db2.gz LUDZYIRPJHOUNS-UHFFFAOYSA-N 2 1 276.340 2.031 10 0 CEAEMP CCCn1cncc1C[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091849650 180271433 /nfs/dbraw/zinc/27/14/33/180271433.db2.gz NRKFBGZBQCBYMM-UHFFFAOYSA-N 2 1 264.417 2.385 10 0 CEAEMP CC[N@@H+](C[C@@H]1COc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091850868 180271848 /nfs/dbraw/zinc/27/18/48/180271848.db2.gz NFHRPAGUYVUTGO-YMAMQOFZSA-N 2 1 290.407 2.418 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)NCCC(C)C)CC1 ZINC000091870112 180276893 /nfs/dbraw/zinc/27/68/93/180276893.db2.gz TVOKTKFXYPFQJM-UHFFFAOYSA-N 2 1 297.487 2.391 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)N(C)C(C)C)CC1 ZINC000091870036 180277265 /nfs/dbraw/zinc/27/72/65/180277265.db2.gz FHEOIXPHRZPYQX-UHFFFAOYSA-N 2 1 283.460 2.096 10 0 CEAEMP CCn1cc([C@@H](C)[N@@H+](C)C2CCC([NH2+]C)CC2)cn1 ZINC000091871093 180277396 /nfs/dbraw/zinc/27/73/96/180277396.db2.gz ZKZKEMJJXSRVJB-LRVUVFPRSA-N 2 1 264.417 2.426 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000091872909 180277840 /nfs/dbraw/zinc/27/78/40/180277840.db2.gz OCUIRGFYQFPLPE-PJPHBNEVSA-N 2 1 295.471 2.238 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2occc2C(=O)OC)CC1 ZINC000091873012 180278122 /nfs/dbraw/zinc/27/81/22/180278122.db2.gz BKNKNCUXDVHBEY-UHFFFAOYSA-N 2 1 280.368 2.029 10 0 CEAEMP C[NH2+]C1CCC(N(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000091872276 180278211 /nfs/dbraw/zinc/27/82/11/180278211.db2.gz UJVSUQWKUKCMRS-GJROSEKXSA-N 2 1 295.471 2.237 10 0 CEAEMP C[N@@H+]1CCO[C@@H](COC2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000092053569 180312621 /nfs/dbraw/zinc/31/26/21/180312621.db2.gz CKFJDZDFMSDZHF-ISXOHVOVSA-N 2 1 298.471 2.267 10 0 CEAEMP C[N@H+]1CCO[C@@H](COC2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000092053569 180312624 /nfs/dbraw/zinc/31/26/24/180312624.db2.gz CKFJDZDFMSDZHF-ISXOHVOVSA-N 2 1 298.471 2.267 10 0 CEAEMP CCC[C@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004222 180304377 /nfs/dbraw/zinc/30/43/77/180304377.db2.gz REOVFBRFVZCDFN-XHSDSOJGSA-N 2 1 295.471 2.227 10 0 CEAEMP CCCCCC[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004393 180304449 /nfs/dbraw/zinc/30/44/49/180304449.db2.gz UOLBKNMXLBGJMH-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP COCC[NH2+]CC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000092026202 180308416 /nfs/dbraw/zinc/30/84/16/180308416.db2.gz SAOPRYASLPYRBQ-WQLSENKSSA-N 2 1 281.227 2.253 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000092339835 180364942 /nfs/dbraw/zinc/36/49/42/180364942.db2.gz OCFOFCVERWOLRB-OAHLLOKOSA-N 2 1 278.444 2.104 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000092339835 180364946 /nfs/dbraw/zinc/36/49/46/180364946.db2.gz OCFOFCVERWOLRB-OAHLLOKOSA-N 2 1 278.444 2.104 10 0 CEAEMP CCNc1cc[nH+]c(CN(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092418998 180382581 /nfs/dbraw/zinc/38/25/81/180382581.db2.gz IJUFTNFIMCLXPC-HNNXBMFYSA-N 2 1 262.401 2.039 10 0 CEAEMP COc1ccc(C[NH+]2C[C@@H](C)C[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555073 186263170 /nfs/dbraw/zinc/26/31/70/186263170.db2.gz DFGOXAHZKVUVOF-KBPBESRZSA-N 2 1 292.423 2.381 10 0 CEAEMP [NH3+]C[C@]1([NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000110829465 186327371 /nfs/dbraw/zinc/32/73/71/186327371.db2.gz SMOVYPBXCBVPPL-AWEZNQCLSA-N 2 1 295.224 2.387 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CC[N@H+]1C ZINC000110977980 186338816 /nfs/dbraw/zinc/33/88/16/186338816.db2.gz HLFXULZMTMKNTM-ZBFHGGJFSA-N 2 1 279.403 2.160 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704893 186313822 /nfs/dbraw/zinc/31/38/22/186313822.db2.gz AAGLLTQWMCKJQV-HNNXBMFYSA-N 2 1 261.413 2.021 10 0 CEAEMP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704956 186313941 /nfs/dbraw/zinc/31/39/41/186313941.db2.gz GDNGTGDCOLBCII-OLZOCXBDSA-N 2 1 281.469 2.471 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110704262 186314396 /nfs/dbraw/zinc/31/43/96/186314396.db2.gz AMEQOTMCGLEGER-SQWLQELKSA-N 2 1 279.428 2.392 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110704949 186314489 /nfs/dbraw/zinc/31/44/89/186314489.db2.gz OBQQSZLSJGXMJY-LBPRGKRZSA-N 2 1 267.442 2.082 10 0 CEAEMP CC[NH2+]CC1(CN2CC[N@@H+](C)[C@@H](CC)C2)CCCC1 ZINC000110746367 186318598 /nfs/dbraw/zinc/31/85/98/186318598.db2.gz WILABBYVTHTRTG-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754701 186320117 /nfs/dbraw/zinc/32/01/17/186320117.db2.gz VGKRXNMHEJPVDN-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@H+]1C ZINC000110752280 186320897 /nfs/dbraw/zinc/32/08/97/186320897.db2.gz LQRJFEDARZORCV-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110752280 186320899 /nfs/dbraw/zinc/32/08/99/186320899.db2.gz LQRJFEDARZORCV-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110752280 186320901 /nfs/dbraw/zinc/32/09/01/186320901.db2.gz LQRJFEDARZORCV-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP CC[C@H]1CN(CC[NH2+][C@@H](C)CCC(C)C)CC[N@H+]1C ZINC000110757116 186321234 /nfs/dbraw/zinc/32/12/34/186321234.db2.gz KLRTVIXXNFOJCU-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH2+]CC(C)C)C(C)C)CC[N@H+]1C ZINC000110754196 186321793 /nfs/dbraw/zinc/32/17/93/186321793.db2.gz XWFCLIUTWVBDEH-HOTGVXAUSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[NH2+][C@@H](C[N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111162159 186363867 /nfs/dbraw/zinc/36/38/67/186363867.db2.gz KWJLDAYGGPFSSW-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+][C@@H](C[N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111162159 186363868 /nfs/dbraw/zinc/36/38/68/186363868.db2.gz KWJLDAYGGPFSSW-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)CC1CCOCC1 ZINC000111172477 186364752 /nfs/dbraw/zinc/36/47/52/186364752.db2.gz UZMMBRCRCRCVHX-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324384 186397409 /nfs/dbraw/zinc/39/74/09/186397409.db2.gz ZNKCISQGOYATEE-SJORKVTESA-N 2 1 298.471 2.020 10 0 CEAEMP CO[C@H]1C[N@H+](CCCOCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364190 351713516 /nfs/dbraw/zinc/71/35/16/351713516.db2.gz DNHGSJWMQYHJQF-IAGOWNOFSA-N 2 1 292.423 2.031 10 0 CEAEMP CO[C@H]1C[N@@H+](CCCOCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364190 351713520 /nfs/dbraw/zinc/71/35/20/351713520.db2.gz DNHGSJWMQYHJQF-IAGOWNOFSA-N 2 1 292.423 2.031 10 0 CEAEMP C[C@@H]([NH3+])[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000156563132 540008872 /nfs/dbraw/zinc/00/88/72/540008872.db2.gz DBJJWRDKWQYAKZ-MEBBXXQBSA-N 2 1 291.782 2.441 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000252806972 540008951 /nfs/dbraw/zinc/00/89/51/540008951.db2.gz HYSKUNUHGWWSTR-YOEHRIQHSA-N 2 1 285.435 2.001 10 0 CEAEMP C[C@H](NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000578518507 366506207 /nfs/dbraw/zinc/50/62/07/366506207.db2.gz MRTBWFMFGPDRAO-BFHYXJOUSA-N 2 1 281.469 2.329 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000178751887 189143277 /nfs/dbraw/zinc/14/32/77/189143277.db2.gz DGKQEQCEWKPNPB-ZWKOTPCHSA-N 2 1 299.418 2.260 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000178751887 189143278 /nfs/dbraw/zinc/14/32/78/189143278.db2.gz DGKQEQCEWKPNPB-ZWKOTPCHSA-N 2 1 299.418 2.260 10 0 CEAEMP Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nc(C(C)C)n1 ZINC000154781547 366789904 /nfs/dbraw/zinc/78/99/04/366789904.db2.gz YRLVQAJCRQFJIU-QWHCGFSZSA-N 2 1 278.400 2.039 10 0 CEAEMP C[N@H+](Cc1ccc(Br)nc1)CC1CC[NH2+]CC1 ZINC000095071334 364330837 /nfs/dbraw/zinc/33/08/37/364330837.db2.gz KWVYGOYUXPHSHZ-UHFFFAOYSA-N 2 1 298.228 2.276 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000245437224 370819418 /nfs/dbraw/zinc/81/94/18/370819418.db2.gz WHZLLCWFNSVMDB-HOTGVXAUSA-N 2 1 295.471 2.194 10 0 CEAEMP CC/C=C\CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000342220732 367394845 /nfs/dbraw/zinc/39/48/45/367394845.db2.gz SBSUCZWHZIBMJS-YVACAVLKSA-N 2 1 268.445 2.367 10 0 CEAEMP C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631837694 367577195 /nfs/dbraw/zinc/57/71/95/367577195.db2.gz WFIHSTUJTNAMJS-VXGBXAGGSA-N 2 1 268.401 2.444 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840694 367581698 /nfs/dbraw/zinc/58/16/98/367581698.db2.gz DTMNUPMAEDPCBM-PWSUYJOCSA-N 2 1 270.323 2.315 10 0 CEAEMP COC[C@H](C)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000187124300 369106715 /nfs/dbraw/zinc/10/67/15/369106715.db2.gz ZAQQMQDCJGNPLX-UKRRQHHQSA-N 2 1 277.412 2.406 10 0 CEAEMP COC[C@H](C)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000187124300 369106716 /nfs/dbraw/zinc/10/67/16/369106716.db2.gz ZAQQMQDCJGNPLX-UKRRQHHQSA-N 2 1 277.412 2.406 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]12 ZINC000261584435 371662427 /nfs/dbraw/zinc/66/24/27/371662427.db2.gz SFORLBIIKMLYOC-JTNHKYCSSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]12 ZINC000261584435 371662436 /nfs/dbraw/zinc/66/24/36/371662436.db2.gz SFORLBIIKMLYOC-JTNHKYCSSA-N 2 1 252.308 2.134 10 0 CEAEMP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261845312 371750334 /nfs/dbraw/zinc/75/03/34/371750334.db2.gz ASSHNRUKXVVHHJ-USXIJHARSA-N 2 1 292.398 2.115 10 0 CEAEMP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261848450 371750435 /nfs/dbraw/zinc/75/04/35/371750435.db2.gz AYZQXTKDRIRKKA-XHSDSOJGSA-N 2 1 278.371 2.072 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]12 ZINC000261986726 371790695 /nfs/dbraw/zinc/79/06/95/371790695.db2.gz RYGFGUBYGZFCND-ZLKJLUDKSA-N 2 1 288.420 2.307 10 0 CEAEMP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262017576 371801705 /nfs/dbraw/zinc/80/17/05/371801705.db2.gz WFCDFFZAPUCFKW-ZACQAIPSSA-N 2 1 292.398 2.115 10 0 CEAEMP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262017569 371801742 /nfs/dbraw/zinc/80/17/42/371801742.db2.gz WFCDFFZAPUCFKW-BRWVUGGUSA-N 2 1 292.398 2.115 10 0 CEAEMP CC[C@H](C)N(Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262116180 371825912 /nfs/dbraw/zinc/82/59/12/371825912.db2.gz BKJHJVGLBCYEQD-LBPRGKRZSA-N 2 1 274.368 2.329 10 0 CEAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC2CCC1CC2 ZINC000399011471 375354380 /nfs/dbraw/zinc/35/43/80/375354380.db2.gz BIKDPAYSRHGZBS-GIOUXUJVSA-N 2 1 280.456 2.248 10 0 CEAEMP NNc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000307321212 376563476 /nfs/dbraw/zinc/56/34/76/376563476.db2.gz WMEKBROKUAFBJI-CQSZACIVSA-N 2 1 283.379 2.054 10 0 CEAEMP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c(N(C)C)n1 ZINC000309653332 376599807 /nfs/dbraw/zinc/59/98/07/376599807.db2.gz ASOMPRHKTOGXCO-AWEZNQCLSA-N 2 1 299.422 2.475 10 0 CEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c(N(C)C)n1 ZINC000309653332 376599820 /nfs/dbraw/zinc/59/98/20/376599820.db2.gz ASOMPRHKTOGXCO-AWEZNQCLSA-N 2 1 299.422 2.475 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562960089 377036438 /nfs/dbraw/zinc/03/64/38/377036438.db2.gz AZJDRUXVZCRCJU-XYJFISCASA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562960089 377036442 /nfs/dbraw/zinc/03/64/42/377036442.db2.gz AZJDRUXVZCRCJU-XYJFISCASA-N 2 1 289.467 2.485 10 0 CEAEMP CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[N@@H+](C)CC1CCCC1 ZINC000093594514 184694086 /nfs/dbraw/zinc/69/40/86/184694086.db2.gz GVOQHADEPPQTBK-DOTOQJQBSA-N 2 1 295.471 2.132 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C1(C[NH3+])CCC(C)(C)CC1 ZINC000094458564 184804577 /nfs/dbraw/zinc/80/45/77/184804577.db2.gz XISZUNZPGGVVMH-HUUCEWRRSA-N 2 1 279.472 2.453 10 0 CEAEMP [NH3+]Cc1c2ccccc2oc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000094467128 184806415 /nfs/dbraw/zinc/80/64/15/184806415.db2.gz SUZGDHUFAXHVIS-CYBMUJFWSA-N 2 1 285.391 2.172 10 0 CEAEMP C[C@H]1CN(c2cc[nH+]cc2Br)C[C@H]1[NH+](C)C ZINC000252831696 131139030 /nfs/dbraw/zinc/13/90/30/131139030.db2.gz MSJAPXLUFQITFZ-JOYOIKCWSA-N 2 1 284.201 2.230 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)C1 ZINC000261947699 394610466 /nfs/dbraw/zinc/61/04/66/394610466.db2.gz NMNJBSYIEAIIOX-UUAJXVIYSA-N 2 1 280.456 2.248 10 0 CEAEMP COCC[NH+](CCOC)[C@@]1(C[NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037489429 173230957 /nfs/dbraw/zinc/23/09/57/173230957.db2.gz RTCNCEIPGOGQIU-HOCLYGCPSA-N 2 1 286.460 2.125 10 0 CEAEMP CC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098047 174111925 /nfs/dbraw/zinc/11/19/25/174111925.db2.gz RKFMIEFCFBFHFB-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098047 174111927 /nfs/dbraw/zinc/11/19/27/174111927.db2.gz RKFMIEFCFBFHFB-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098047 174111929 /nfs/dbraw/zinc/11/19/29/174111929.db2.gz RKFMIEFCFBFHFB-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622554 174355548 /nfs/dbraw/zinc/35/55/48/174355548.db2.gz RVBXLQYALQDQAX-CVEARBPZSA-N 3 1 281.488 2.427 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH2+]C[C@@H]2CCOC2)([NH+](C)C)C1 ZINC000040668418 174367765 /nfs/dbraw/zinc/36/77/65/174367765.db2.gz PXMPOCPSOKPNNL-QLFBSQMISA-N 2 1 254.418 2.123 10 0 CEAEMP C[C@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040767726 174398234 /nfs/dbraw/zinc/39/82/34/174398234.db2.gz NRKUNMSHTOQDIK-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000657351743 414876519 /nfs/dbraw/zinc/87/65/19/414876519.db2.gz OYKPNDUUUDGPPE-AWEZNQCLSA-N 2 1 268.445 2.392 10 0 CEAEMP COc1c(C)c[nH+]c(CN(C)CC[NH2+]C(C)C)c1C ZINC000042691132 174838883 /nfs/dbraw/zinc/83/88/83/174838883.db2.gz PNQZYLLLUCZODM-UHFFFAOYSA-N 2 1 265.401 2.137 10 0 CEAEMP C[C@@H](N)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042902292 174905667 /nfs/dbraw/zinc/90/56/67/174905667.db2.gz NLRBWJUAJPQNCA-PBHICJAKSA-N 2 1 275.440 2.349 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCCCC1)OCCO2 ZINC000043814525 175111809 /nfs/dbraw/zinc/11/18/09/175111809.db2.gz JHVWEHJUYPKKDC-GJZGRUSLSA-N 2 1 282.428 2.136 10 0 CEAEMP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818427 175113283 /nfs/dbraw/zinc/11/32/83/175113283.db2.gz RWVSFYITABCJKN-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+][C@@H](C)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000043817813 175113474 /nfs/dbraw/zinc/11/34/74/175113474.db2.gz WBVTTYISKSLREI-DOTOQJQBSA-N 2 1 275.440 2.363 10 0 CEAEMP CCOC1CC[NH+]([C@@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000043906917 175122464 /nfs/dbraw/zinc/12/24/64/175122464.db2.gz ZSYZNJLOVUBNRS-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970679 175131933 /nfs/dbraw/zinc/13/19/33/175131933.db2.gz QPBWPMAWOPXPQM-HNNXBMFYSA-N 3 1 269.477 2.284 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000044794778 175254597 /nfs/dbraw/zinc/25/45/97/175254597.db2.gz MJDVDQOBRPKFGB-AWEZNQCLSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[NH2+][C@H]1CC[N@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107837 175307909 /nfs/dbraw/zinc/30/79/09/175307909.db2.gz XMNSSNIERFHRAM-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+][C@H]1CC[N@@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107837 175307911 /nfs/dbraw/zinc/30/79/11/175307911.db2.gz XMNSSNIERFHRAM-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP C[C@@H](CNc1c(C(N)=S)c[nH+]c2ccccc21)[NH+](C)C ZINC000045109782 175309214 /nfs/dbraw/zinc/30/92/14/175309214.db2.gz NXAVIDJXOXGKCZ-JTQLQIEISA-N 2 1 288.420 2.231 10 0 CEAEMP CC[N@@H+](CC[C@@](C)(NC(C)C)C(N)=O)C1CCCCC1 ZINC000045224170 175332355 /nfs/dbraw/zinc/33/23/55/175332355.db2.gz PIPXPTCSAXEUQU-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045224170 175332356 /nfs/dbraw/zinc/33/23/56/175332356.db2.gz PIPXPTCSAXEUQU-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[N@@H+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045224170 175332357 /nfs/dbraw/zinc/33/23/57/175332357.db2.gz PIPXPTCSAXEUQU-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277431 175347559 /nfs/dbraw/zinc/34/75/59/175347559.db2.gz OPMICMRMIHBOII-WBVHZDCISA-N 2 1 295.471 2.273 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277431 175347560 /nfs/dbraw/zinc/34/75/60/175347560.db2.gz OPMICMRMIHBOII-WBVHZDCISA-N 2 1 295.471 2.273 10 0 CEAEMP CCC(CC)C[N@H+](CC)CC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045277860 175348723 /nfs/dbraw/zinc/34/87/23/175348723.db2.gz ALEIUTNRVHNKDS-MRXNPFEDSA-N 2 1 285.476 2.377 10 0 CEAEMP CCC(CC)C[N@@H+](CC)CC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045277860 175348724 /nfs/dbraw/zinc/34/87/24/175348724.db2.gz ALEIUTNRVHNKDS-MRXNPFEDSA-N 2 1 285.476 2.377 10 0 CEAEMP CCC[NH+](CCC)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045378600 175367638 /nfs/dbraw/zinc/36/76/38/175367638.db2.gz YAEXVJADBVIDHP-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045380861 175369908 /nfs/dbraw/zinc/36/99/08/175369908.db2.gz CUMLESOZLSWXSE-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OC ZINC000045380861 175369909 /nfs/dbraw/zinc/36/99/09/175369909.db2.gz CUMLESOZLSWXSE-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382217 175371250 /nfs/dbraw/zinc/37/12/50/175371250.db2.gz GGNPRCLGSRQQMR-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382217 175371252 /nfs/dbraw/zinc/37/12/52/175371252.db2.gz GGNPRCLGSRQQMR-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(CC)[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045391663 175374635 /nfs/dbraw/zinc/37/46/35/175374635.db2.gz KQOMSMNWSJNQTB-OAHLLOKOSA-N 2 1 271.449 2.129 10 0 CEAEMP C[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391959 175375519 /nfs/dbraw/zinc/37/55/19/175375519.db2.gz ZVWCHLWCNCBYFH-ZFWWWQNUSA-N 2 1 272.433 2.284 10 0 CEAEMP C[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391959 175375520 /nfs/dbraw/zinc/37/55/20/175375520.db2.gz ZVWCHLWCNCBYFH-ZFWWWQNUSA-N 2 1 272.433 2.284 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000071142340 176040089 /nfs/dbraw/zinc/04/00/89/176040089.db2.gz RSPFRQAOETUSEF-NWDGAFQWSA-N 2 1 266.360 2.437 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000071142340 176040090 /nfs/dbraw/zinc/04/00/90/176040090.db2.gz RSPFRQAOETUSEF-NWDGAFQWSA-N 2 1 266.360 2.437 10 0 CEAEMP CC[C@@H](c1ccc(C)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148619 176044759 /nfs/dbraw/zinc/04/47/59/176044759.db2.gz VIWMLIVZOABWOC-KRWDZBQOSA-N 2 1 275.440 2.283 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161474 176045987 /nfs/dbraw/zinc/04/59/87/176045987.db2.gz XFPSLLVWCQRCLS-LXTVHRRPSA-N 2 1 254.418 2.393 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161474 176045988 /nfs/dbraw/zinc/04/59/88/176045988.db2.gz XFPSLLVWCQRCLS-LXTVHRRPSA-N 2 1 254.418 2.393 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)c(N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071187769 176062129 /nfs/dbraw/zinc/06/21/29/176062129.db2.gz KXPKTRJAFRQDTH-GFCCVEGCSA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)c(N)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071187769 176062130 /nfs/dbraw/zinc/06/21/30/176062130.db2.gz KXPKTRJAFRQDTH-GFCCVEGCSA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)c(N)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187769 176062131 /nfs/dbraw/zinc/06/21/31/176062131.db2.gz KXPKTRJAFRQDTH-GFCCVEGCSA-N 2 1 267.804 2.306 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071188341 176062767 /nfs/dbraw/zinc/06/27/67/176062767.db2.gz PWCSKODXNGKDOX-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP CCC[NH2+][C@@H](CCC)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188928 176063435 /nfs/dbraw/zinc/06/34/35/176063435.db2.gz OTWGNIQPQOFXFI-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP Cc1ccc(C)c([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188749 176063826 /nfs/dbraw/zinc/06/38/26/176063826.db2.gz WKODBTBTILBNJR-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP CCC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188674 176063917 /nfs/dbraw/zinc/06/39/17/176063917.db2.gz HUGUSAZEXXQHID-LVQVYYBASA-N 2 1 267.461 2.166 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188985 176065031 /nfs/dbraw/zinc/06/50/31/176065031.db2.gz OVWXUZIFTXXADT-INMHGKMJSA-N 2 1 275.440 2.219 10 0 CEAEMP CN(CC[C@H]([NH3+])c1ccccc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191261 176069343 /nfs/dbraw/zinc/06/93/43/176069343.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 2 1 279.403 2.099 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CCN(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071191410 176070437 /nfs/dbraw/zinc/07/04/37/176070437.db2.gz VDEUPUQLDSMKKK-NVXWUHKLSA-N 2 1 275.440 2.268 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1ncccc1C[NH2+]C(C)(C)C ZINC000071191654 176070650 /nfs/dbraw/zinc/07/06/50/176070650.db2.gz HXRBJUJQKNULRU-CQSZACIVSA-N 2 1 290.455 2.358 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000071192102 176073886 /nfs/dbraw/zinc/07/38/86/176073886.db2.gz IDAWZLHRZCVANI-YJBOKZPZSA-N 2 1 287.451 2.363 10 0 CEAEMP Cc1oc(C[NH2+]C2CC2)cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192076 176073892 /nfs/dbraw/zinc/07/38/92/176073892.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 2 1 291.439 2.224 10 0 CEAEMP C[C@H]([NH3+])c1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000071193057 176075431 /nfs/dbraw/zinc/07/54/31/176075431.db2.gz SEMXLSUOOFLKOU-STQMWFEESA-N 2 1 290.411 2.122 10 0 CEAEMP CCC[NH2+]CCCCCCN1CC[NH+](CC)CC1 ZINC000071287500 176109677 /nfs/dbraw/zinc/10/96/77/176109677.db2.gz AHXLBSLJJNXAEJ-UHFFFAOYSA-N 2 1 255.450 2.184 10 0 CEAEMP CC[NH2+]CCCCCCN1CCC([NH+](C)C)CC1 ZINC000071287968 176109828 /nfs/dbraw/zinc/10/98/28/176109828.db2.gz HVAYYHWALHZJNW-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCC[NH+]1CCC(N(C)C)CC1 ZINC000071287968 176109830 /nfs/dbraw/zinc/10/98/30/176109830.db2.gz HVAYYHWALHZJNW-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC(C)C[NH2+]CCCCCC[N@H+]1CC[C@H](N(C)C)C1 ZINC000071289970 176110332 /nfs/dbraw/zinc/11/03/32/176110332.db2.gz QZTPBLZOUYDDTM-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCCCN1CC[C@H]([NH+](C)C)C1 ZINC000071289970 176110334 /nfs/dbraw/zinc/11/03/34/176110334.db2.gz QZTPBLZOUYDDTM-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCCC[N@H+]1CC[C@@H](N(C)C)C1 ZINC000071289971 176110484 /nfs/dbraw/zinc/11/04/84/176110484.db2.gz QZTPBLZOUYDDTM-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCCCN1CC[C@@H]([NH+](C)C)C1 ZINC000071289971 176110486 /nfs/dbraw/zinc/11/04/86/176110486.db2.gz QZTPBLZOUYDDTM-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CN1CCC([N@@H+](C)CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401619 176153930 /nfs/dbraw/zinc/15/39/30/176153930.db2.gz DVQTUAMZLLJQNS-QGZVFWFLSA-N 2 1 275.440 2.493 10 0 CEAEMP C[N@H+](CCC[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000071401619 176153932 /nfs/dbraw/zinc/15/39/32/176153932.db2.gz DVQTUAMZLLJQNS-QGZVFWFLSA-N 3 1 275.440 2.493 10 0 CEAEMP C[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000071401619 176153933 /nfs/dbraw/zinc/15/39/33/176153933.db2.gz DVQTUAMZLLJQNS-QGZVFWFLSA-N 3 1 275.440 2.493 10 0 CEAEMP C[N@@H+](CCC[C@H]([NH3+])c1ccccc1)CCN1CCCC1 ZINC000071402105 176153994 /nfs/dbraw/zinc/15/39/94/176153994.db2.gz VGCUAORDLJFVIT-KRWDZBQOSA-N 2 1 275.440 2.494 10 0 CEAEMP CN(CCC[C@H]([NH3+])c1ccccc1)CC[NH+]1CCCC1 ZINC000071402105 176153995 /nfs/dbraw/zinc/15/39/95/176153995.db2.gz VGCUAORDLJFVIT-KRWDZBQOSA-N 2 1 275.440 2.494 10 0 CEAEMP C[NH+](C)Cc1nc2ccccc2n1C1CC[NH+](C)CC1 ZINC000071502868 176192862 /nfs/dbraw/zinc/19/28/62/176192862.db2.gz YBIQNJXPLJDXDZ-UHFFFAOYSA-N 2 1 272.396 2.365 10 0 CEAEMP Brc1c[nH+]ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261593416 273477079 /nfs/dbraw/zinc/47/70/79/273477079.db2.gz WUKDELZQTXVSNA-KOLCDFICSA-N 2 1 282.185 2.032 10 0 CEAEMP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261975714 275394193 /nfs/dbraw/zinc/39/41/93/275394193.db2.gz RARJMKZMIIPWFD-BRWVUGGUSA-N 2 1 296.455 2.082 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192641236 277394584 /nfs/dbraw/zinc/39/45/84/277394584.db2.gz LRFOTNLBVONZFC-RBSFLKMASA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192641236 277394587 /nfs/dbraw/zinc/39/45/87/277394587.db2.gz LRFOTNLBVONZFC-RBSFLKMASA-N 2 1 254.418 2.121 10 0 CEAEMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637466 279120103 /nfs/dbraw/zinc/12/01/03/279120103.db2.gz MFZLQDIUEZUWDR-RFGFWPKPSA-N 2 1 254.418 2.120 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000172646815 288158966 /nfs/dbraw/zinc/15/89/66/288158966.db2.gz CHENLEJJGDJIBT-LUKYLMHMSA-N 2 1 298.471 2.375 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516272846 313086062 /nfs/dbraw/zinc/08/60/62/313086062.db2.gz MZURLLMHXHEIDL-JFIYKMOQSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516272846 313086065 /nfs/dbraw/zinc/08/60/65/313086065.db2.gz MZURLLMHXHEIDL-JFIYKMOQSA-N 2 1 289.467 2.485 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCN(CC)CC1 ZINC000052544032 519920047 /nfs/dbraw/zinc/92/00/47/519920047.db2.gz KTLUUDUWRKZDEU-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052544032 519920049 /nfs/dbraw/zinc/92/00/49/519920049.db2.gz KTLUUDUWRKZDEU-CQSZACIVSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052544032 519920055 /nfs/dbraw/zinc/92/00/55/519920055.db2.gz KTLUUDUWRKZDEU-CQSZACIVSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@H](C)COC)cc1 ZINC000052511848 519996526 /nfs/dbraw/zinc/99/65/26/519996526.db2.gz KBSWDXKOUGAPAV-CYBMUJFWSA-N 2 1 250.386 2.263 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000062740903 520307014 /nfs/dbraw/zinc/30/70/14/520307014.db2.gz PHFUNBBKJGFKMX-CQSZACIVSA-N 2 1 254.349 2.011 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000062740902 520516572 /nfs/dbraw/zinc/51/65/72/520516572.db2.gz PHFUNBBKJGFKMX-AWEZNQCLSA-N 2 1 254.349 2.011 10 0 CEAEMP CC[C@@H](C)N1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064169 522129248 /nfs/dbraw/zinc/12/92/48/522129248.db2.gz ABWNVHQQXNHJNM-BZUAXINKSA-N 2 1 267.461 2.310 10 0 CEAEMP C(C[N@H+]1CCC[C@H]1C1CCCC1)[NH2+]C1CCOCC1 ZINC000062767794 518389992 /nfs/dbraw/zinc/38/99/92/518389992.db2.gz SJGMJMZKGLWKIG-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP C(C[C@H]1CCC[NH2+]1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052764405 518396094 /nfs/dbraw/zinc/39/60/94/518396094.db2.gz UXLCDYPHQZKJRY-MRXNPFEDSA-N 2 1 279.472 2.469 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069311299 518759402 /nfs/dbraw/zinc/75/94/02/518759402.db2.gz OHULYNVXBORRSW-AWEZNQCLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069311299 518759413 /nfs/dbraw/zinc/75/94/13/518759413.db2.gz OHULYNVXBORRSW-AWEZNQCLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[N@@H+](CCCO)[C@H](CC[NH3+])c1ccccc1 ZINC000055017103 519644804 /nfs/dbraw/zinc/64/48/04/519644804.db2.gz CMYBGSKKAJRNGJ-OAHLLOKOSA-N 2 1 250.386 2.169 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643315 519740004 /nfs/dbraw/zinc/74/00/04/519740004.db2.gz BUERWKKNFCEHML-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417347 519927881 /nfs/dbraw/zinc/92/78/81/519927881.db2.gz YULCFHODZZZWRQ-OAHLLOKOSA-N 2 1 261.413 2.197 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](C)C2CCOCC2)c(C)o1 ZINC000052481277 519988872 /nfs/dbraw/zinc/98/88/72/519988872.db2.gz WUEPLYFWWRHHRS-UHFFFAOYSA-N 2 1 266.385 2.308 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638261 520111288 /nfs/dbraw/zinc/11/12/88/520111288.db2.gz RXFVJFVIMBRNMP-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCC[N@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000062527591 520539690 /nfs/dbraw/zinc/53/96/90/520539690.db2.gz UGUAFGZTNWQXMJ-UONOGXRCSA-N 2 1 271.449 2.129 10 0 CEAEMP CCCC[N@@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000062527591 520539696 /nfs/dbraw/zinc/53/96/96/520539696.db2.gz UGUAFGZTNWQXMJ-UONOGXRCSA-N 2 1 271.449 2.129 10 0 CEAEMP CCC[C@@H](C)[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052480668 520646757 /nfs/dbraw/zinc/64/67/57/520646757.db2.gz MHGYELDAYHTONS-CYBMUJFWSA-N 2 1 281.448 2.287 10 0 CEAEMP CC1CCC([N@@H+](C)Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761402 520938163 /nfs/dbraw/zinc/93/81/63/520938163.db2.gz JCZIDGVPOKYFPK-UHFFFAOYSA-N 2 1 260.385 2.376 10 0 CEAEMP CCC[C@H](C)[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052480671 521035322 /nfs/dbraw/zinc/03/53/22/521035322.db2.gz DBGXPKACIYTCJZ-AWEZNQCLSA-N 2 1 281.448 2.144 10 0 CEAEMP CCCC[C@@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000069381132 521121882 /nfs/dbraw/zinc/12/18/82/521121882.db2.gz IWGGIRZHTOMRKB-CABCVRRESA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@@H+](CCOC)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052183291 521135090 /nfs/dbraw/zinc/13/50/90/521135090.db2.gz RPGYQUFFXOKUSU-UHFFFAOYSA-N 2 1 286.460 2.140 10 0 CEAEMP CC[N@@H+](Cc1ccccc1C[NH2+]C)[C@@H](C)COC ZINC000052505074 521380176 /nfs/dbraw/zinc/38/01/76/521380176.db2.gz QGJYIKLTNLBKDP-ZDUSSCGKSA-N 2 1 250.386 2.263 10 0 CEAEMP CCN1CC[NH+](Cc2oc3ccccc3c2C[NH2+]C)CC1 ZINC000052422447 521689822 /nfs/dbraw/zinc/68/98/22/521689822.db2.gz JBHOJBYCPZJYOB-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)C[C@@H]1C ZINC000068812055 521691729 /nfs/dbraw/zinc/69/17/29/521691729.db2.gz YPWIYCNTGYRUCG-ZFWWWQNUSA-N 2 1 287.407 2.459 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccn1 ZINC000054601816 521953542 /nfs/dbraw/zinc/95/35/42/521953542.db2.gz GYPOHOHOWNREEA-MQVJKMGUSA-N 2 1 259.397 2.229 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000061675087 521955561 /nfs/dbraw/zinc/95/55/61/521955561.db2.gz UHNYPRFNJINKAM-AGUYFDCRSA-N 2 1 274.364 2.130 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000061675087 521955565 /nfs/dbraw/zinc/95/55/65/521955565.db2.gz UHNYPRFNJINKAM-AGUYFDCRSA-N 2 1 274.364 2.130 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC[NH+](C)C(C)C ZINC000054629300 521956157 /nfs/dbraw/zinc/95/61/57/521956157.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 3 1 267.461 2.322 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CCCC[N@H+](C)C(C)C ZINC000054629300 521956160 /nfs/dbraw/zinc/95/61/60/521956160.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 3 1 267.461 2.322 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CCCC[N@@H+](C)C(C)C ZINC000054629300 521956170 /nfs/dbraw/zinc/95/61/70/521956170.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 3 1 267.461 2.322 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000053011980 522090455 /nfs/dbraw/zinc/09/04/55/522090455.db2.gz IJSLMBZXVLOVKO-OAHLLOKOSA-N 2 1 261.413 2.054 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)O1 ZINC000052514087 522092528 /nfs/dbraw/zinc/09/25/28/522092528.db2.gz HHXYYOLXPZUFBD-TUVASFSCSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000052540246 522121781 /nfs/dbraw/zinc/12/17/81/522121781.db2.gz AMQTWPGGRRCBSA-DLBZAZTESA-N 2 1 290.407 2.038 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000052540246 522121790 /nfs/dbraw/zinc/12/17/90/522121790.db2.gz AMQTWPGGRRCBSA-DLBZAZTESA-N 2 1 290.407 2.038 10 0 CEAEMP CC[C@@H](C)N1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064173 522131661 /nfs/dbraw/zinc/13/16/61/522131661.db2.gz ABWNVHQQXNHJNM-OAGGEKHMSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@H]([NH3+])Cc1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000054741573 522334799 /nfs/dbraw/zinc/33/47/99/522334799.db2.gz FOEZKZQLSBBHSV-AWEZNQCLSA-N 2 1 288.395 2.232 10 0 CEAEMP CC[C@@H]([NH3+])Cc1nccn1Cc1[nH+]cc(C)c(OC)c1C ZINC000062803074 522646671 /nfs/dbraw/zinc/64/66/71/522646671.db2.gz GLPLFGAUULLYSC-CYBMUJFWSA-N 2 1 288.395 2.232 10 0 CEAEMP COc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1O ZINC000049553291 522945984 /nfs/dbraw/zinc/94/59/84/522945984.db2.gz MUOXBJYOWBBUPT-RYUDHWBXSA-N 2 1 266.385 2.392 10 0 CEAEMP COc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1O ZINC000049553292 522948508 /nfs/dbraw/zinc/94/85/08/522948508.db2.gz MUOXBJYOWBBUPT-NEPJUHHUSA-N 2 1 266.385 2.392 10 0 CEAEMP C[N@@H+](CCc1ccccn1)Cc1cc(F)ccc1C[NH3+] ZINC000069401169 522965596 /nfs/dbraw/zinc/96/55/96/522965596.db2.gz PLCFGOGMAOTYSP-UHFFFAOYSA-N 2 1 273.355 2.354 10 0 CEAEMP COCCC[N@@H+](CCCCC[NH2+]C(C)C)CCOC ZINC000052543291 523240756 /nfs/dbraw/zinc/24/07/56/523240756.db2.gz WUGRAUHMMPLZHP-UHFFFAOYSA-N 2 1 274.449 2.140 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@H](CC[NH3+])c1ccccc1 ZINC000055016974 523257435 /nfs/dbraw/zinc/25/74/35/523257435.db2.gz SCDLHJSDZQLAOC-MRXNPFEDSA-N 2 1 280.412 2.061 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197585 523352348 /nfs/dbraw/zinc/35/23/48/523352348.db2.gz ZVXXFPIGOCYQAO-ZBFHGGJFSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197585 523352354 /nfs/dbraw/zinc/35/23/54/523352354.db2.gz ZVXXFPIGOCYQAO-ZBFHGGJFSA-N 2 1 296.455 2.035 10 0 CEAEMP C[N@H+]([C@@H](CC(N)=S)c1ccccc1)C1CC[NH+](C)CC1 ZINC000055024494 523623950 /nfs/dbraw/zinc/62/39/50/523623950.db2.gz LYSHZDZBVCYFRR-HNNXBMFYSA-N 2 1 291.464 2.430 10 0 CEAEMP C[N@@H+]([C@@H](CC(N)=S)c1ccccc1)C1CC[NH+](C)CC1 ZINC000055024494 523623960 /nfs/dbraw/zinc/62/39/60/523623960.db2.gz LYSHZDZBVCYFRR-HNNXBMFYSA-N 2 1 291.464 2.430 10 0 CEAEMP COCC[N@@H+](Cc1occc1C[NH2+]C(C)C)C1CC1 ZINC000052542406 523779428 /nfs/dbraw/zinc/77/94/28/523779428.db2.gz CNUXLALJZCJEDS-UHFFFAOYSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[C@H](C)[N@@H+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052451271 523934009 /nfs/dbraw/zinc/93/40/09/523934009.db2.gz HVCBZRVCTDOCDE-AWEZNQCLSA-N 2 1 281.448 2.144 10 0 CEAEMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000049553785 524163974 /nfs/dbraw/zinc/16/39/74/524163974.db2.gz XHSOWWCUJISECV-SNVBAGLBSA-N 2 1 284.787 2.499 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675048 525107735 /nfs/dbraw/zinc/10/77/35/525107735.db2.gz FIQMQVZDFOQBSS-CHWSQXEVSA-N 2 1 276.380 2.235 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675048 525107738 /nfs/dbraw/zinc/10/77/38/525107738.db2.gz FIQMQVZDFOQBSS-CHWSQXEVSA-N 2 1 276.380 2.235 10 0 CEAEMP c1c2[nH]c(CCC3CC[NH2+]CC3)[nH+]c2cc2c1OCCO2 ZINC000050926741 526402964 /nfs/dbraw/zinc/40/29/64/526402964.db2.gz ZVCFLCQDTPJVPV-UHFFFAOYSA-N 2 1 287.363 2.266 10 0 CEAEMP [NH3+]Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000061702139 527257427 /nfs/dbraw/zinc/25/74/27/527257427.db2.gz IPAOYSIABQQELH-MRXNPFEDSA-N 2 1 283.375 2.194 10 0 CEAEMP Cc1[nH+]cn(C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593736 527463002 /nfs/dbraw/zinc/46/30/02/527463002.db2.gz JANYMAROEHFQSI-LSDHHAIUSA-N 2 1 265.401 2.293 10 0 CEAEMP CC[NH2+]Cc1ccc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)nc1 ZINC000094443279 535479912 /nfs/dbraw/zinc/47/99/12/535479912.db2.gz IQIDCAWYKVLUCZ-GOEBONIOSA-N 2 1 288.439 2.254 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757146224 574510408 /nfs/dbraw/zinc/51/04/08/574510408.db2.gz RGVOEHIUHASSRE-VXGBXAGGSA-N 2 1 252.402 2.412 10 0 CEAEMP CC(C)[C@@H]1O[C@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149864 574510635 /nfs/dbraw/zinc/51/06/35/574510635.db2.gz OSVDQWZTDITUQA-ZFWWWQNUSA-N 2 1 254.418 2.469 10 0 CEAEMP CCCCSc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc(N)[nH+]1 ZINC000095361927 625462267 /nfs/dbraw/zinc/46/22/67/625462267.db2.gz SVIIGQLITVNSAR-UWVGGRQHSA-N 2 1 299.419 2.063 10 0 CEAEMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000261560400 628938834 /nfs/dbraw/zinc/93/88/34/628938834.db2.gz ZWIQATSHKBIPIQ-QZTJIDSGSA-N 2 1 287.451 2.240 10 0 CEAEMP c1coc([C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000133567252 652665640 /nfs/dbraw/zinc/66/56/40/652665640.db2.gz NPRMFHVLQUQJMT-LSDHHAIUSA-N 2 1 277.412 2.148 10 0 CEAEMP C[NH+](C)CCN1CCC[C@@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096071420 185086588 /nfs/dbraw/zinc/08/65/88/185086588.db2.gz ZEQNGQLFJGPFAH-QGZVFWFLSA-N 2 1 291.439 2.272 10 0 CEAEMP C[NH+](C)CCN1CCC[C@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096071421 185086636 /nfs/dbraw/zinc/08/66/36/185086636.db2.gz ZEQNGQLFJGPFAH-KRWDZBQOSA-N 2 1 291.439 2.272 10 0 CEAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000306628586 344715921 /nfs/dbraw/zinc/71/59/21/344715921.db2.gz CPUKAPQUJJPOKK-MRVPVSSYSA-N 2 1 265.101 2.076 10 0 CEAEMP C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328639053 344757066 /nfs/dbraw/zinc/75/70/66/344757066.db2.gz PJYHNIRQDSFCBO-AWEZNQCLSA-N 2 1 298.390 2.461 10 0 CEAEMP C[N@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328639053 344757068 /nfs/dbraw/zinc/75/70/68/344757068.db2.gz PJYHNIRQDSFCBO-AWEZNQCLSA-N 2 1 298.390 2.461 10 0 CEAEMP C[N@@H+](Cc1cccc2c1OCO2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657011 344758247 /nfs/dbraw/zinc/75/82/47/344758247.db2.gz ZXEWTEIMQOQKQB-ZDUSSCGKSA-N 2 1 299.374 2.306 10 0 CEAEMP C[N@H+](Cc1cccc2c1OCO2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657011 344758248 /nfs/dbraw/zinc/75/82/48/344758248.db2.gz ZXEWTEIMQOQKQB-ZDUSSCGKSA-N 2 1 299.374 2.306 10 0 CEAEMP C[NH2+][C@@H](CCc1[nH+]ccn1C)c1ccc(C)nc1C ZINC000097451853 185609026 /nfs/dbraw/zinc/60/90/26/185609026.db2.gz NYDKABHRGAFMJW-AWEZNQCLSA-N 2 1 258.369 2.325 10 0 CEAEMP CCCC[N@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000085300822 179009765 /nfs/dbraw/zinc/00/97/65/179009765.db2.gz SCFNNAHZMXXVDM-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP CCCC[N@@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000085300822 179009767 /nfs/dbraw/zinc/00/97/67/179009767.db2.gz SCFNNAHZMXXVDM-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP C[N@H+]1CCCC[C@H]1COCc1ccc(CC[NH3+])cc1 ZINC000097811103 185670461 /nfs/dbraw/zinc/67/04/61/185670461.db2.gz MPHRNBWGWWAFHJ-INIZCTEOSA-N 2 1 262.397 2.189 10 0 CEAEMP CC[N@H+]1CCC[C@H](n2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085572785 179098790 /nfs/dbraw/zinc/09/87/90/179098790.db2.gz OKVRWMHMJPLBMZ-AWEZNQCLSA-N 2 1 290.455 2.384 10 0 CEAEMP C[N@H+]1CCC[C@@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606877 179100098 /nfs/dbraw/zinc/10/00/98/179100098.db2.gz BLEPIFPDBLKDDM-CQSZACIVSA-N 2 1 288.439 2.453 10 0 CEAEMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CCC[NH2+]1 ZINC000085614172 179102545 /nfs/dbraw/zinc/10/25/45/179102545.db2.gz PTSJPGIQRLWODL-CQSZACIVSA-N 2 1 277.412 2.281 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CCC[NH2+][C@@H](C3CC3)C2)c1C ZINC000085615866 179103735 /nfs/dbraw/zinc/10/37/35/179103735.db2.gz UCKGWZTWNKXWRJ-MRXNPFEDSA-N 2 1 289.423 2.281 10 0 CEAEMP CC(C)CCOCC[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085615947 179104441 /nfs/dbraw/zinc/10/44/41/179104441.db2.gz FCBUDTPWUKYJKU-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)CCOCC[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085615947 179104443 /nfs/dbraw/zinc/10/44/43/179104443.db2.gz FCBUDTPWUKYJKU-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP C([C@@H]1CCCO1)[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615151 179104662 /nfs/dbraw/zinc/10/46/62/179104662.db2.gz RKCCQPYBAHILQR-JKSUJKDBSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086174172 179245977 /nfs/dbraw/zinc/24/59/77/179245977.db2.gz UURGXJOOHOPTBW-IXDOHACOSA-N 2 1 281.488 2.425 10 0 CEAEMP CCC1(CC)CN(C[C@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146562 179238844 /nfs/dbraw/zinc/23/88/44/179238844.db2.gz DEZNZKALGMGCNO-OAHLLOKOSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146723 179239185 /nfs/dbraw/zinc/23/91/85/179239185.db2.gz SCSPVQFDTUHOGS-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146723 179239187 /nfs/dbraw/zinc/23/91/87/179239187.db2.gz SCSPVQFDTUHOGS-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146723 179239188 /nfs/dbraw/zinc/23/91/88/179239188.db2.gz SCSPVQFDTUHOGS-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146723 179239189 /nfs/dbraw/zinc/23/91/89/179239189.db2.gz SCSPVQFDTUHOGS-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146723 179239190 /nfs/dbraw/zinc/23/91/90/179239190.db2.gz SCSPVQFDTUHOGS-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218150 179249994 /nfs/dbraw/zinc/24/99/94/179249994.db2.gz ZUSWIOOPVOVQKD-TUUVXOQKSA-N 2 1 266.429 2.406 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H](C)[C@@H]1CCCO1 ZINC000086218150 179249996 /nfs/dbraw/zinc/24/99/96/179249996.db2.gz ZUSWIOOPVOVQKD-TUUVXOQKSA-N 2 1 266.429 2.406 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224011 179252953 /nfs/dbraw/zinc/25/29/53/179252953.db2.gz GCKFSOSLVDFSLD-OWCLPIDISA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224019 179253505 /nfs/dbraw/zinc/25/35/05/179253505.db2.gz NCMSQXIGUBOKSS-HZPDHXFCSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223941 179253555 /nfs/dbraw/zinc/25/35/55/179253555.db2.gz FIARODJHDJJYLD-RRFJBIMHSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@]1(C)CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259209 179258109 /nfs/dbraw/zinc/25/81/09/179258109.db2.gz BBDKCWVJMMOAJQ-IXDOHACOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288172 179264435 /nfs/dbraw/zinc/26/44/35/179264435.db2.gz VZYSIVFLYFNYAO-ZBFHGGJFSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288172 179264437 /nfs/dbraw/zinc/26/44/37/179264437.db2.gz VZYSIVFLYFNYAO-ZBFHGGJFSA-N 2 1 261.413 2.334 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CCC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086291706 179266394 /nfs/dbraw/zinc/26/63/94/179266394.db2.gz RBIKWVHGKAXETO-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296832 179267431 /nfs/dbraw/zinc/26/74/31/179267431.db2.gz MCZKYGBOKNDQPI-CYBMUJFWSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296832 179267432 /nfs/dbraw/zinc/26/74/32/179267432.db2.gz MCZKYGBOKNDQPI-CYBMUJFWSA-N 2 1 267.442 2.396 10 0 CEAEMP CC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293857 179268204 /nfs/dbraw/zinc/26/82/04/179268204.db2.gz DITHFUDWNQXRBZ-CABCVRRESA-N 2 1 260.381 2.064 10 0 CEAEMP CC[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293857 179268206 /nfs/dbraw/zinc/26/82/06/179268206.db2.gz DITHFUDWNQXRBZ-CABCVRRESA-N 2 1 260.381 2.064 10 0 CEAEMP CO[C@H]1CCC[C@H]1[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293542 179268248 /nfs/dbraw/zinc/26/82/48/179268248.db2.gz GDVFXJXNYGERHL-KGLIPLIRSA-N 2 1 252.402 2.162 10 0 CEAEMP C(C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1)OC1CCCCC1 ZINC000086298112 179269133 /nfs/dbraw/zinc/26/91/33/179269133.db2.gz QAJZAYJPYYVMBU-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP C(C[N@H+]1CCC[NH2+][C@H](C2CC2)C1)OC1CCCCC1 ZINC000086298112 179269135 /nfs/dbraw/zinc/26/91/35/179269135.db2.gz QAJZAYJPYYVMBU-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP CCC[C@H](COC)[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086299577 179269182 /nfs/dbraw/zinc/26/91/82/179269182.db2.gz XJANCCZWQRFXND-HUUCEWRRSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+][C@@H]1CCCc2sc(N3CC[NH+](CC)CC3)nc21 ZINC000086442000 179293957 /nfs/dbraw/zinc/29/39/57/179293957.db2.gz CRPLFOVXTIUMBK-GFCCVEGCSA-N 2 1 294.468 2.272 10 0 CEAEMP CCN(Cc1cccs1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819401 179348785 /nfs/dbraw/zinc/34/87/85/179348785.db2.gz NCQRPELEVXLCRZ-HNNXBMFYSA-N 2 1 281.469 2.383 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@H]1CCC[NH+](C)CC1 ZINC000086819000 179348959 /nfs/dbraw/zinc/34/89/59/179348959.db2.gz RNYUDTFFKXKXAU-HNNXBMFYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086819000 179348960 /nfs/dbraw/zinc/34/89/60/179348960.db2.gz RNYUDTFFKXKXAU-HNNXBMFYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086819000 179348962 /nfs/dbraw/zinc/34/89/62/179348962.db2.gz RNYUDTFFKXKXAU-HNNXBMFYSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[N@H+](C)CCCC[NH2+][C@H]1CCCN(C)CC1 ZINC000086819000 179348964 /nfs/dbraw/zinc/34/89/64/179348964.db2.gz RNYUDTFFKXKXAU-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@H]1CCCN(C)CC1 ZINC000086819000 179348965 /nfs/dbraw/zinc/34/89/65/179348965.db2.gz RNYUDTFFKXKXAU-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835007 179349308 /nfs/dbraw/zinc/34/93/08/179349308.db2.gz BFADYARUCRNRHQ-OAHLLOKOSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835007 179349311 /nfs/dbraw/zinc/34/93/11/179349311.db2.gz BFADYARUCRNRHQ-OAHLLOKOSA-N 3 1 269.477 2.428 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835007 179349312 /nfs/dbraw/zinc/34/93/12/179349312.db2.gz BFADYARUCRNRHQ-OAHLLOKOSA-N 3 1 269.477 2.428 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000086818517 179346691 /nfs/dbraw/zinc/34/66/91/179346691.db2.gz JXMQMJMHNIBCEK-CQSZACIVSA-N 2 1 295.471 2.097 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847532 179357256 /nfs/dbraw/zinc/35/72/56/179357256.db2.gz YHLHKIXGBSWFHT-OAHLLOKOSA-N 2 1 285.501 2.017 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086834998 179350502 /nfs/dbraw/zinc/35/05/02/179350502.db2.gz SIWJSHRDDJTLKF-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086834998 179350504 /nfs/dbraw/zinc/35/05/04/179350504.db2.gz SIWJSHRDDJTLKF-HNNXBMFYSA-N 3 1 269.477 2.427 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086834998 179350507 /nfs/dbraw/zinc/35/05/07/179350507.db2.gz SIWJSHRDDJTLKF-HNNXBMFYSA-N 3 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)CC1 ZINC000086837779 179351420 /nfs/dbraw/zinc/35/14/20/179351420.db2.gz DQWMZTQZZODPIZ-CVEARBPZSA-N 2 1 297.487 2.343 10 0 CEAEMP CC[NH+]1CCC(C[NH2+][C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086843364 179352914 /nfs/dbraw/zinc/35/29/14/179352914.db2.gz ZMWDOVAUVBXIQG-INIZCTEOSA-N 3 1 267.461 2.182 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843149 179353333 /nfs/dbraw/zinc/35/33/33/179353333.db2.gz LAKNNHQLJURXJV-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840648 179353522 /nfs/dbraw/zinc/35/35/22/179353522.db2.gz GSFGVPVUUNVOOJ-GXTWGEPZSA-N 2 1 264.417 2.254 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840648 179353524 /nfs/dbraw/zinc/35/35/24/179353524.db2.gz GSFGVPVUUNVOOJ-GXTWGEPZSA-N 2 1 264.417 2.254 10 0 CEAEMP CC(C)[N@@H+](C)CCN[C@H]1CCC[NH+](C(C)C)CC1 ZINC000086844334 179354428 /nfs/dbraw/zinc/35/44/28/179354428.db2.gz FKAPFSDGYJEJNT-HNNXBMFYSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH+](C)CCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086844334 179354430 /nfs/dbraw/zinc/35/44/30/179354430.db2.gz FKAPFSDGYJEJNT-HNNXBMFYSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH+](C)CCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086844334 179354431 /nfs/dbraw/zinc/35/44/31/179354431.db2.gz FKAPFSDGYJEJNT-HNNXBMFYSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845055 179354557 /nfs/dbraw/zinc/35/45/57/179354557.db2.gz WCDHYLKIGRVDGJ-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CCN(C(C)C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846705 179355345 /nfs/dbraw/zinc/35/53/45/179355345.db2.gz WRFQBZLZIQNIGL-HNNXBMFYSA-N 2 1 255.450 2.309 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCc3ccccc3C2)CC1 ZINC000086846519 179355511 /nfs/dbraw/zinc/35/55/11/179355511.db2.gz KASRMRIRYHMVEZ-GOSISDBHSA-N 2 1 287.451 2.248 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851151 179359480 /nfs/dbraw/zinc/35/94/80/179359480.db2.gz ZCIHTAGSNXAPNA-CVEARBPZSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851151 179359484 /nfs/dbraw/zinc/35/94/84/179359484.db2.gz ZCIHTAGSNXAPNA-CVEARBPZSA-N 3 1 267.461 2.453 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851151 179359485 /nfs/dbraw/zinc/35/94/85/179359485.db2.gz ZCIHTAGSNXAPNA-CVEARBPZSA-N 3 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851151 179359487 /nfs/dbraw/zinc/35/94/87/179359487.db2.gz ZCIHTAGSNXAPNA-CVEARBPZSA-N 3 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851151 179359488 /nfs/dbraw/zinc/35/94/88/179359488.db2.gz ZCIHTAGSNXAPNA-CVEARBPZSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874889 179364795 /nfs/dbraw/zinc/36/47/95/179364795.db2.gz KZTYETKHVSWCJS-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849630 179358275 /nfs/dbraw/zinc/35/82/75/179358275.db2.gz PHQZYBXMAHTVEZ-INIZCTEOSA-N 2 1 281.444 2.027 10 0 CEAEMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087017728 179380769 /nfs/dbraw/zinc/38/07/69/179380769.db2.gz QZHDRGFSMYZDEL-ZIAGYGMSSA-N 2 1 254.418 2.002 10 0 CEAEMP C[NH2+][C@@H](CSC(C)(C)C)Cc1cc[nH+]c(N)c1 ZINC000087117533 179395545 /nfs/dbraw/zinc/39/55/45/179395545.db2.gz RGXSCPUYBUDJSG-LLVKDONJSA-N 2 1 253.415 2.326 10 0 CEAEMP Nc1cc(C[C@@H]([NH3+])CSC2CCCC2)cc[nH+]1 ZINC000087144020 179397503 /nfs/dbraw/zinc/39/75/03/179397503.db2.gz XTNIORPYWOOVFA-LLVKDONJSA-N 2 1 251.399 2.209 10 0 CEAEMP C[NH2+][C@@H](c1c[nH+]ccc1N)C1Cc2ccccc2C1 ZINC000088029481 179537096 /nfs/dbraw/zinc/53/70/96/179537096.db2.gz OWEDNTNYEIAVLT-MRXNPFEDSA-N 2 1 253.349 2.339 10 0 CEAEMP CC(C)C[C@@H](C[NH3+])Cc1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000088275146 179574029 /nfs/dbraw/zinc/57/40/29/179574029.db2.gz GPMCKYCSBYPCSP-LLVKDONJSA-N 2 1 289.379 2.498 10 0 CEAEMP CC(C)[N@H+](Cc1ccccc1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606319 180011539 /nfs/dbraw/zinc/01/15/39/180011539.db2.gz NKRYCWAGBOULFQ-HOTGVXAUSA-N 2 1 262.397 2.261 10 0 CEAEMP CC(C)[N@@H+](Cc1ccccc1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606319 180011541 /nfs/dbraw/zinc/01/15/41/180011541.db2.gz NKRYCWAGBOULFQ-HOTGVXAUSA-N 2 1 262.397 2.261 10 0 CEAEMP Cc1nc2sccn2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721088 180031103 /nfs/dbraw/zinc/03/11/03/180031103.db2.gz AUCGKXIIYWJGEN-ZYHUDNBSSA-N 2 1 278.425 2.277 10 0 CEAEMP Cc1nc2sccn2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721088 180031105 /nfs/dbraw/zinc/03/11/05/180031105.db2.gz AUCGKXIIYWJGEN-ZYHUDNBSSA-N 2 1 278.425 2.277 10 0 CEAEMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876269 180050621 /nfs/dbraw/zinc/05/06/21/180050621.db2.gz JWYBJLQFDQEEEL-CABCVRRESA-N 2 1 260.381 2.193 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[NH2+]C(C)(C)C1)O2 ZINC000090902507 180059815 /nfs/dbraw/zinc/05/98/15/180059815.db2.gz BADQAYMEJQQUBK-OAHLLOKOSA-N 2 1 274.408 2.372 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+]1CCC[NH2+]C(C)(C)C1)O2 ZINC000090902507 180059816 /nfs/dbraw/zinc/05/98/16/180059816.db2.gz BADQAYMEJQQUBK-OAHLLOKOSA-N 2 1 274.408 2.372 10 0 CEAEMP CC[C@@H]1CCCC[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958011 180074732 /nfs/dbraw/zinc/07/47/32/180074732.db2.gz CIFGTNZALPFXMZ-GFCCVEGCSA-N 2 1 253.415 2.409 10 0 CEAEMP CCC1CC[NH+](Cc2csc(CC[NH3+])n2)CC1 ZINC000090958152 180074769 /nfs/dbraw/zinc/07/47/69/180074769.db2.gz PKDYLJUBGQQXEG-UHFFFAOYSA-N 2 1 253.415 2.266 10 0 CEAEMP [NH3+]CCCC[N@H+]1CCCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090975955 180078715 /nfs/dbraw/zinc/07/87/15/180078715.db2.gz XXGXNTSTUFBVFG-KRWDZBQOSA-N 2 1 287.451 2.073 10 0 CEAEMP [NH3+]CCCCN1CCC[N@H+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090975955 180078717 /nfs/dbraw/zinc/07/87/17/180078717.db2.gz XXGXNTSTUFBVFG-KRWDZBQOSA-N 2 1 287.451 2.073 10 0 CEAEMP [NH3+]CCCCN1CCC[N@@H+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090975955 180078718 /nfs/dbraw/zinc/07/87/18/180078718.db2.gz XXGXNTSTUFBVFG-KRWDZBQOSA-N 2 1 287.451 2.073 10 0 CEAEMP C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)[C@@H]1C[NH2+]CCO1 ZINC000091313706 180133188 /nfs/dbraw/zinc/13/31/88/180133188.db2.gz UVOLOQKWPMZGDW-RRFJBIMHSA-N 2 1 252.402 2.020 10 0 CEAEMP [NH3+]C[C@H]1CCC[N@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275392 180119024 /nfs/dbraw/zinc/11/90/24/180119024.db2.gz DQEJMWQMGAOISC-ABAIWWIYSA-N 2 1 260.385 2.092 10 0 CEAEMP [NH3+]C[C@H]1CCC[N@@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275392 180119026 /nfs/dbraw/zinc/11/90/26/180119026.db2.gz DQEJMWQMGAOISC-ABAIWWIYSA-N 2 1 260.385 2.092 10 0 CEAEMP CC(C)C[NH2+]Cc1cncc(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000091434620 180154621 /nfs/dbraw/zinc/15/46/21/180154621.db2.gz UJGQJGBPZFRVKR-OAHLLOKOSA-N 2 1 292.427 2.085 10 0 CEAEMP CC[C@@](C)(C[NH2+]CC(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091491162 180170251 /nfs/dbraw/zinc/17/02/51/180170251.db2.gz XEUIGJCXSBSOQP-GPANFISMSA-N 2 1 270.461 2.351 10 0 CEAEMP CC(C)[C@H](CC[NH3+])CCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091392175 180144816 /nfs/dbraw/zinc/14/48/16/180144816.db2.gz FBYQHNBWZUKDQN-HOTGVXAUSA-N 2 1 269.477 2.414 10 0 CEAEMP CC(C)[C@H](CC[NH3+])CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091392175 180144817 /nfs/dbraw/zinc/14/48/17/180144817.db2.gz FBYQHNBWZUKDQN-HOTGVXAUSA-N 2 1 269.477 2.414 10 0 CEAEMP CC[C@@H](CC[NH3+])CCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091395350 180146421 /nfs/dbraw/zinc/14/64/21/180146421.db2.gz YHECKRLPDLQIJC-CABCVRRESA-N 2 1 255.450 2.168 10 0 CEAEMP CC[C@@H](CC[NH3+])CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091395350 180146424 /nfs/dbraw/zinc/14/64/24/180146424.db2.gz YHECKRLPDLQIJC-CABCVRRESA-N 2 1 255.450 2.168 10 0 CEAEMP CC[NH2+][C@H](Cc1cccnc1N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607269 180204323 /nfs/dbraw/zinc/20/43/23/180204323.db2.gz QVGUEFWTRQKCMO-WBVHZDCISA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1ccncc1)C(C)(C)[NH+]1CCCC1 ZINC000091535863 180181973 /nfs/dbraw/zinc/18/19/73/180181973.db2.gz XGHBMFRMWSHYSH-HNNXBMFYSA-N 2 1 261.413 2.477 10 0 CEAEMP CC1CCC([C@H](O)Cc2ccc[nH+]c2N)([NH+](C)C)CC1 ZINC000091648585 180216175 /nfs/dbraw/zinc/21/61/75/180216175.db2.gz HXJWEYMALQWQCT-CXOJTPOUSA-N 2 1 277.412 2.078 10 0 CEAEMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662719 180220254 /nfs/dbraw/zinc/22/02/54/180220254.db2.gz ICRKVYGJQCTWMQ-FPCVCCKLSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662719 180220256 /nfs/dbraw/zinc/22/02/56/180220256.db2.gz ICRKVYGJQCTWMQ-FPCVCCKLSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[NH+](CC)CC[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000091716143 180232686 /nfs/dbraw/zinc/23/26/86/180232686.db2.gz VQDRPNHSRNMXDS-CQSZACIVSA-N 2 1 278.396 2.450 10 0 CEAEMP CCCCCC[C@H]([NH2+]C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720885 180236542 /nfs/dbraw/zinc/23/65/42/180236542.db2.gz IJUJVAXUZAYWHK-ILXRZTDVSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCCCC[C@H]([NH2+]C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720885 180236544 /nfs/dbraw/zinc/23/65/44/180236544.db2.gz IJUJVAXUZAYWHK-ILXRZTDVSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721223 180237614 /nfs/dbraw/zinc/23/76/14/180237614.db2.gz MABHZANJDHUVTA-KZNAEPCWSA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721223 180237616 /nfs/dbraw/zinc/23/76/16/180237616.db2.gz MABHZANJDHUVTA-KZNAEPCWSA-N 2 1 288.435 2.297 10 0 CEAEMP CC(C)[NH2+]Cc1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091722567 180240873 /nfs/dbraw/zinc/24/08/73/180240873.db2.gz QDTMKMJMNKWZDD-CHWSQXEVSA-N 2 1 281.425 2.177 10 0 CEAEMP CC(C)[NH2+]Cc1csc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091722567 180240878 /nfs/dbraw/zinc/24/08/78/180240878.db2.gz QDTMKMJMNKWZDD-CHWSQXEVSA-N 2 1 281.425 2.177 10 0 CEAEMP CC[N@@H+](CC(=O)N(C)C1=CCCC1)C1CCC([NH3+])CC1 ZINC000091851062 180272402 /nfs/dbraw/zinc/27/24/02/180272402.db2.gz PIHYBSKVPCPCCD-UHFFFAOYSA-N 2 1 279.428 2.104 10 0 CEAEMP CCC[N@@H+]([C@@H](C)C(=O)N1CCCCC1)C1CCC([NH3+])CC1 ZINC000091852384 180272939 /nfs/dbraw/zinc/27/29/39/180272939.db2.gz RFPPVPDMSBZHTA-FHERZECASA-N 2 1 295.471 2.369 10 0 CEAEMP CC[N@@H+]([C@@H](C)C(=O)N1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091850724 180271725 /nfs/dbraw/zinc/27/17/25/180271725.db2.gz DCUYSMTXCWYOJE-FHERZECASA-N 2 1 295.471 2.369 10 0 CEAEMP CC[N@@H+]([C@@H](C)C(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091851074 180271791 /nfs/dbraw/zinc/27/17/91/180271791.db2.gz ILYWGNWJANBHAS-HLIUYOAVSA-N 2 1 295.471 2.416 10 0 CEAEMP CC[N@@H+](Cc1ccoc1C(=O)OC)C1CCC([NH3+])CC1 ZINC000091851073 180271982 /nfs/dbraw/zinc/27/19/82/180271982.db2.gz KKQOUFRMPAJTIZ-UHFFFAOYSA-N 2 1 280.368 2.158 10 0 CEAEMP CC[N@@H+](CCO[C@@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091850928 180272018 /nfs/dbraw/zinc/27/20/18/180272018.db2.gz NMGMPOUAJYYIJN-YMAMQOFZSA-N 2 1 270.417 2.121 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000091870457 180277404 /nfs/dbraw/zinc/27/74/04/180277404.db2.gz CMSBQVZKSIZBAK-HESLUPGFSA-N 2 1 283.460 2.142 10 0 CEAEMP CCC[C@@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004227 180304980 /nfs/dbraw/zinc/30/49/80/180304980.db2.gz REOVFBRFVZCDFN-OAGGEKHMSA-N 2 1 295.471 2.227 10 0 CEAEMP C[C@@H]([NH3+])c1cccc(SC[C@H]2C[N@H+](C)CCO2)c1 ZINC000092080088 180318367 /nfs/dbraw/zinc/31/83/67/180318367.db2.gz VIYDFLDUBJJZJF-DGCLKSJQSA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@@H]([NH3+])c1cccc(SC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000092080088 180318369 /nfs/dbraw/zinc/31/83/69/180318369.db2.gz VIYDFLDUBJJZJF-DGCLKSJQSA-N 2 1 266.410 2.129 10 0 CEAEMP COCC[N@H+](CCSc1ccccc1)CCC(N)=[NH2+] ZINC000092262354 180354903 /nfs/dbraw/zinc/35/49/03/180354903.db2.gz DHRMQTFPRBSMHK-UHFFFAOYSA-N 2 1 281.425 2.053 10 0 CEAEMP COCC[N@@H+](CCSc1ccccc1)CCC(N)=[NH2+] ZINC000092262354 180354905 /nfs/dbraw/zinc/35/49/05/180354905.db2.gz DHRMQTFPRBSMHK-UHFFFAOYSA-N 2 1 281.425 2.053 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nn(C)c1C ZINC000092341845 180365776 /nfs/dbraw/zinc/36/57/76/180365776.db2.gz WDKPESSWZQFZKW-GOOCMWNKSA-N 2 1 276.428 2.142 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nn(C)c1C ZINC000092341845 180365778 /nfs/dbraw/zinc/36/57/78/180365778.db2.gz WDKPESSWZQFZKW-GOOCMWNKSA-N 2 1 276.428 2.142 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092347587 180367069 /nfs/dbraw/zinc/36/70/69/180367069.db2.gz VRTJSMRKTIHSBD-UHFFFAOYSA-N 2 1 287.407 2.340 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000092365854 180369334 /nfs/dbraw/zinc/36/93/34/180369334.db2.gz LXLXYXMTGGNZKY-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccnc2ccccc12 ZINC000092365854 180369335 /nfs/dbraw/zinc/36/93/35/180369335.db2.gz LXLXYXMTGGNZKY-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1CN([C@@H](C[NH3+])c2c(F)cccc2Cl)CC[N@H+]1C ZINC000107908231 186197275 /nfs/dbraw/zinc/19/72/75/186197275.db2.gz URQKFQYWOIDMII-GWCFXTLKSA-N 2 1 285.794 2.115 10 0 CEAEMP CC[C@@H](C)[NH+]1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000108129327 186206506 /nfs/dbraw/zinc/20/65/06/186206506.db2.gz DIWZJMZXBBYEME-CYBMUJFWSA-N 2 1 260.385 2.449 10 0 CEAEMP CCOC(=O)CC[N@@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685342 186268898 /nfs/dbraw/zinc/26/88/98/186268898.db2.gz RAIMAFIEEAENON-BFHYXJOUSA-N 2 1 270.417 2.025 10 0 CEAEMP CCOC(=O)C[N@H+](C(C)C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000109685034 186269108 /nfs/dbraw/zinc/26/91/08/186269108.db2.gz YWJIXDDYRZYNPG-KGLIPLIRSA-N 2 1 270.417 2.168 10 0 CEAEMP CCOC(=O)C[N@@H+](C(C)C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000109685034 186269110 /nfs/dbraw/zinc/26/91/10/186269110.db2.gz YWJIXDDYRZYNPG-KGLIPLIRSA-N 2 1 270.417 2.168 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1nc2ccccc2cc1C[NH3+] ZINC000109359491 186249341 /nfs/dbraw/zinc/24/93/41/186249341.db2.gz GTNCWXIPABDQPL-ZDUSSCGKSA-N 2 1 284.407 2.081 10 0 CEAEMP C[C@@H]([NH3+])C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110645185 186308478 /nfs/dbraw/zinc/30/84/78/186308478.db2.gz WBAWXJHIVJHQLY-QAPCUYQASA-N 2 1 287.451 2.320 10 0 CEAEMP C[C@@H]([NH3+])C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110645185 186308479 /nfs/dbraw/zinc/30/84/79/186308479.db2.gz WBAWXJHIVJHQLY-QAPCUYQASA-N 2 1 287.451 2.320 10 0 CEAEMP Cc1ccc([C@H](CN)[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977961 186338723 /nfs/dbraw/zinc/33/87/23/186338723.db2.gz HSNFWILHLXKCJY-KRWDZBQOSA-N 2 1 293.430 2.408 10 0 CEAEMP Cc1ccc([C@H](CN)[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977961 186338725 /nfs/dbraw/zinc/33/87/25/186338725.db2.gz HSNFWILHLXKCJY-KRWDZBQOSA-N 2 1 293.430 2.408 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705344 186315056 /nfs/dbraw/zinc/31/50/56/186315056.db2.gz UJLDCNCYDYXQKQ-ZFWWWQNUSA-N 2 1 279.428 2.392 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC[N@H+]1C ZINC000110709885 186315403 /nfs/dbraw/zinc/31/54/03/186315403.db2.gz VITSFRDRRVYOHZ-IRXDYDNUSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716620 186315949 /nfs/dbraw/zinc/31/59/49/186315949.db2.gz GIUHMODRFGMGJH-SJORKVTESA-N 2 1 287.451 2.288 10 0 CEAEMP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716308 186316039 /nfs/dbraw/zinc/31/60/39/186316039.db2.gz KPPMPLTZOGSVQU-HOTGVXAUSA-N 2 1 275.440 2.491 10 0 CEAEMP Cc1cc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c(C)s1 ZINC000110711426 186316353 /nfs/dbraw/zinc/31/63/53/186316353.db2.gz SUJWYNGZGAAXHF-AWEZNQCLSA-N 2 1 281.469 2.391 10 0 CEAEMP CCOc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)[C@@H](CC)C2)cc1 ZINC000110711300 186316540 /nfs/dbraw/zinc/31/65/40/186316540.db2.gz VTWWPEPPQVIBTB-RDJZCZTQSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[NH2+]Cc1cc(CN2CC[N@@H+](C)C(C)(C)C2)oc1C ZINC000110755013 186319672 /nfs/dbraw/zinc/31/96/72/186319672.db2.gz WBCUQAWFMAUQDL-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP C[C@H]1CN(Cc2ccoc2C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110752302 186320238 /nfs/dbraw/zinc/32/02/38/186320238.db2.gz OBQZCUORBPJXOX-ZDUSSCGKSA-N 2 1 279.428 2.304 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCCCC[NH2+]C(C)C)CCN1C ZINC000110753794 186320542 /nfs/dbraw/zinc/32/05/42/186320542.db2.gz XLALXLPHIRJJOE-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1CN(CCCCC[NH2+]C(C)C)CC[N@@H+]1C ZINC000110753794 186320543 /nfs/dbraw/zinc/32/05/43/186320543.db2.gz XLALXLPHIRJJOE-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1CN(CCCCC[NH2+]C(C)C)CC[N@H+]1C ZINC000110753794 186320544 /nfs/dbraw/zinc/32/05/44/186320544.db2.gz XLALXLPHIRJJOE-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747085 186321800 /nfs/dbraw/zinc/32/18/00/186321800.db2.gz FKEVJRBTIPFYLU-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@H]1CN(c2nc(C)c(C[NH2+]C3CC3)s2)CC[N@H+]1C ZINC000110760275 186323044 /nfs/dbraw/zinc/32/30/44/186323044.db2.gz HAPVRFKHHTYOAV-CYBMUJFWSA-N 2 1 294.468 2.234 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@H+](C)CCN(C)C ZINC000111149895 186360701 /nfs/dbraw/zinc/36/07/01/186360701.db2.gz YSTYJVPCBZTCSN-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@@H+](C)CCN(C)C ZINC000111149895 186360702 /nfs/dbraw/zinc/36/07/02/186360702.db2.gz YSTYJVPCBZTCSN-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CC(C)CC[N@@H+](CC1(C[NH3+])CCOCC1)C1CC1 ZINC000111317277 186395332 /nfs/dbraw/zinc/39/53/32/186395332.db2.gz WLGMZGFAVGPINO-UHFFFAOYSA-N 2 1 254.418 2.252 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324260 186397922 /nfs/dbraw/zinc/39/79/22/186397922.db2.gz WEWIEUBFTCIZQY-SFHVURJKSA-N 2 1 288.435 2.451 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324260 186397924 /nfs/dbraw/zinc/39/79/24/186397924.db2.gz WEWIEUBFTCIZQY-SFHVURJKSA-N 2 1 288.435 2.451 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCO1)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111327170 186398534 /nfs/dbraw/zinc/39/85/34/186398534.db2.gz ZJFLYDUMHDJNRS-RDJZCZTQSA-N 2 1 298.471 2.282 10 0 CEAEMP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000336396492 213254594 /nfs/dbraw/zinc/25/45/94/213254594.db2.gz TUCUGTWYKNDDCV-GJZGRUSLSA-N 2 1 295.471 2.050 10 0 CEAEMP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1C ZINC000336396492 213254595 /nfs/dbraw/zinc/25/45/95/213254595.db2.gz TUCUGTWYKNDDCV-GJZGRUSLSA-N 2 1 295.471 2.050 10 0 CEAEMP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1C ZINC000336396492 213254597 /nfs/dbraw/zinc/25/45/97/213254597.db2.gz TUCUGTWYKNDDCV-GJZGRUSLSA-N 2 1 295.471 2.050 10 0 CEAEMP CCOCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151117162 366621893 /nfs/dbraw/zinc/62/18/93/366621893.db2.gz UGAQFHMFCQFOFT-CQSZACIVSA-N 2 1 263.385 2.160 10 0 CEAEMP CCOCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151117162 366621898 /nfs/dbraw/zinc/62/18/98/366621898.db2.gz UGAQFHMFCQFOFT-CQSZACIVSA-N 2 1 263.385 2.160 10 0 CEAEMP Cc1ncc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000275685048 193105841 /nfs/dbraw/zinc/10/58/41/193105841.db2.gz WNHRDLMHHGYJCM-NSHDSACASA-N 2 1 262.382 2.000 10 0 CEAEMP 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 367110667 /nfs/dbraw/zinc/11/06/67/367110667.db2.gz HKTKXAQOZPEDQP-QKPAOTATSA-N 2 1 297.487 2.199 10 0 CEAEMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631838519 367579016 /nfs/dbraw/zinc/57/90/16/367579016.db2.gz PTIOMTIZLHDJPX-NEPJUHHUSA-N 2 1 295.814 2.195 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838443 367579255 /nfs/dbraw/zinc/57/92/55/367579255.db2.gz OGVOTMLYELTKAJ-HIFRSBDPSA-N 2 1 254.418 2.110 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631845036 367587833 /nfs/dbraw/zinc/58/78/33/367587833.db2.gz RQEINXBHOHZAGI-PWSUYJOCSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631845036 367587835 /nfs/dbraw/zinc/58/78/35/367587835.db2.gz RQEINXBHOHZAGI-PWSUYJOCSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000343585567 367900295 /nfs/dbraw/zinc/90/02/95/367900295.db2.gz BVOQBXMWBOMXRS-YIDVYQOGSA-N 2 1 266.429 2.406 10 0 CEAEMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261842670 284023116 /nfs/dbraw/zinc/02/31/16/284023116.db2.gz SCZNAPFHKALRDE-GOEBONIOSA-N 2 1 282.428 2.184 10 0 CEAEMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261842670 284023119 /nfs/dbraw/zinc/02/31/19/284023119.db2.gz SCZNAPFHKALRDE-GOEBONIOSA-N 2 1 282.428 2.184 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000181655694 368479481 /nfs/dbraw/zinc/47/94/81/368479481.db2.gz ZRAXFRVIMSXOKE-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181655694 368479486 /nfs/dbraw/zinc/47/94/86/368479486.db2.gz ZRAXFRVIMSXOKE-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181655694 368479491 /nfs/dbraw/zinc/47/94/91/368479491.db2.gz ZRAXFRVIMSXOKE-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP COc1cc(C)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000634998243 369030196 /nfs/dbraw/zinc/03/01/96/369030196.db2.gz CLXNHPMXIMWRPW-JSGCOSHPSA-N 2 1 278.396 2.039 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH2+]CC1 ZINC000635003351 369038153 /nfs/dbraw/zinc/03/81/53/369038153.db2.gz IJAKCTHPBJELOF-RDJZCZTQSA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003351 369038159 /nfs/dbraw/zinc/03/81/59/369038159.db2.gz IJAKCTHPBJELOF-RDJZCZTQSA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003351 369038163 /nfs/dbraw/zinc/03/81/63/369038163.db2.gz IJAKCTHPBJELOF-RDJZCZTQSA-N 3 1 287.451 2.096 10 0 CEAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccncc2)C1 ZINC000190477152 369628675 /nfs/dbraw/zinc/62/86/75/369628675.db2.gz QIEZQOQWKWVLPJ-SFHVURJKSA-N 2 1 296.418 2.431 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C12CCOCC2 ZINC000248918006 371269809 /nfs/dbraw/zinc/26/98/09/371269809.db2.gz DLOMBGUIDGTBJX-XUWVNRHRSA-N 2 1 296.455 2.033 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCOCC2 ZINC000248918006 371269812 /nfs/dbraw/zinc/26/98/12/371269812.db2.gz DLOMBGUIDGTBJX-XUWVNRHRSA-N 2 1 296.455 2.033 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@@H]12 ZINC000261586089 371664979 /nfs/dbraw/zinc/66/49/79/371664979.db2.gz ITGDTTJRZSSGRW-YRGRVCCFSA-N 2 1 280.799 2.388 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@H]12 ZINC000261586086 371665207 /nfs/dbraw/zinc/66/52/07/371665207.db2.gz ITGDTTJRZSSGRW-MBNYWOFBSA-N 2 1 280.799 2.388 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000261609372 371678060 /nfs/dbraw/zinc/67/80/60/371678060.db2.gz BQBBAYSRNPEXOF-WBVHZDCISA-N 2 1 267.376 2.256 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]12 ZINC000261556089 371645235 /nfs/dbraw/zinc/64/52/35/371645235.db2.gz BWFDJPDDIKCOQM-DUFXMDAXSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]12 ZINC000261556089 371645242 /nfs/dbraw/zinc/64/52/42/371645242.db2.gz BWFDJPDDIKCOQM-DUFXMDAXSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]12 ZINC000261721542 371710408 /nfs/dbraw/zinc/71/04/08/371710408.db2.gz KFYMQUMKPGFUSL-NUEKZKHPSA-N 2 1 267.376 2.404 10 0 CEAEMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000261793867 371733909 /nfs/dbraw/zinc/73/39/09/371733909.db2.gz OSEUCLYXSCCCQX-WZYMTQMTSA-N 2 1 288.439 2.130 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)C1 ZINC000261947698 371781069 /nfs/dbraw/zinc/78/10/69/371781069.db2.gz NMNJBSYIEAIIOX-NRKLIOEPSA-N 2 1 280.456 2.248 10 0 CEAEMP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000262010261 371799340 /nfs/dbraw/zinc/79/93/40/371799340.db2.gz VMPGSBUTZAKKGR-ZNMIVQPWSA-N 2 1 266.429 2.313 10 0 CEAEMP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262017566 371800797 /nfs/dbraw/zinc/80/07/97/371800797.db2.gz WFCDFFZAPUCFKW-BBWFWOEESA-N 2 1 292.398 2.115 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643454026 373124987 /nfs/dbraw/zinc/12/49/87/373124987.db2.gz BBKPMNRGVDEUBE-NRUUGDAUSA-N 2 1 251.374 2.330 10 0 CEAEMP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH2+]CC1)C1CC1 ZINC000423066131 376957023 /nfs/dbraw/zinc/95/70/23/376957023.db2.gz WBQBSRHRYPUIFB-GOSISDBHSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085217190 184605306 /nfs/dbraw/zinc/60/53/06/184605306.db2.gz HVWXYGQIXAUDQG-LZWOXQAQSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[C@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000092670854 184619468 /nfs/dbraw/zinc/61/94/68/184619468.db2.gz POEYFTHAZYXKKZ-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCOCC1 ZINC000335268681 208066305 /nfs/dbraw/zinc/06/63/05/208066305.db2.gz GGXHHYKVCUQMHP-GASCZTMLSA-N 2 1 266.429 2.125 10 0 CEAEMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345230 197304942 /nfs/dbraw/zinc/30/49/42/197304942.db2.gz JXQCRCLSWQFZKE-GUYCJALGSA-N 2 1 276.424 2.355 10 0 CEAEMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289345230 197304944 /nfs/dbraw/zinc/30/49/44/197304944.db2.gz JXQCRCLSWQFZKE-GUYCJALGSA-N 2 1 276.424 2.355 10 0 CEAEMP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc(F)cc1)C2 ZINC000503719120 285298825 /nfs/dbraw/zinc/29/88/25/285298825.db2.gz YKSHZSBFCPEVME-DOTOQJQBSA-N 2 1 292.398 2.226 10 0 CEAEMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc(F)cc1)C2 ZINC000503719120 285298828 /nfs/dbraw/zinc/29/88/28/285298828.db2.gz YKSHZSBFCPEVME-DOTOQJQBSA-N 2 1 292.398 2.226 10 0 CEAEMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000503719120 285298835 /nfs/dbraw/zinc/29/88/35/285298835.db2.gz YKSHZSBFCPEVME-DOTOQJQBSA-N 2 1 292.398 2.226 10 0 CEAEMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000503719120 285298837 /nfs/dbraw/zinc/29/88/37/285298837.db2.gz YKSHZSBFCPEVME-DOTOQJQBSA-N 2 1 292.398 2.226 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CC[C@@H](COC)C2)cc1 ZINC000081118700 177774883 /nfs/dbraw/zinc/77/48/83/177774883.db2.gz MXQSEQGSXAZANK-MRXNPFEDSA-N 2 1 292.423 2.143 10 0 CEAEMP CCC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@@H+](C)CC(C)C ZINC000093616605 184695975 /nfs/dbraw/zinc/69/59/75/184695975.db2.gz KLIYYSGMIAKJKC-JKSUJKDBSA-N 2 1 270.461 2.495 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH2+]CC2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000094010345 184749904 /nfs/dbraw/zinc/74/99/04/184749904.db2.gz ABCJYFAWSLBLPF-ZBFHGGJFSA-N 3 1 267.461 2.086 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094383802 184792470 /nfs/dbraw/zinc/79/24/70/184792470.db2.gz PUQOUUFBPKDDHE-HUUCEWRRSA-N 2 1 266.429 2.410 10 0 CEAEMP CCCC1(C[N@H+]2C[C@@H]3CCCN3C[C@@H]2C)CC[NH2+]CC1 ZINC000094462048 184805312 /nfs/dbraw/zinc/80/53/12/184805312.db2.gz WQNIKPPZNINWKZ-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP CCCC1(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH2+]CC1 ZINC000094462048 184805313 /nfs/dbraw/zinc/80/53/13/184805313.db2.gz WQNIKPPZNINWKZ-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP CCCC1(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH2+]CC1 ZINC000094462048 184805314 /nfs/dbraw/zinc/80/53/14/184805314.db2.gz WQNIKPPZNINWKZ-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP CSC1(C[NH3+])CCN(c2[nH+]cccc2C)CC1 ZINC000091472579 135070371 /nfs/dbraw/zinc/07/03/71/135070371.db2.gz FVFSOEOFCVFAKB-UHFFFAOYSA-N 2 1 251.399 2.051 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000396621720 395218101 /nfs/dbraw/zinc/21/81/01/395218101.db2.gz VCXRSPMVTRCEPQ-LMSBXDPUSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCc1ccccn1 ZINC000037491934 173233105 /nfs/dbraw/zinc/23/31/05/173233105.db2.gz TYGSOUYEPZSKSX-OAHLLOKOSA-N 2 1 261.413 2.478 10 0 CEAEMP C[C@H](N(C)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043301 174050303 /nfs/dbraw/zinc/05/03/03/174050303.db2.gz WYCLNBRGASUDRP-DZGCQCFKSA-N 2 1 295.471 2.096 10 0 CEAEMP C[C@H](N(C)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043301 174050304 /nfs/dbraw/zinc/05/03/04/174050304.db2.gz WYCLNBRGASUDRP-DZGCQCFKSA-N 2 1 295.471 2.096 10 0 CEAEMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040626869 174356902 /nfs/dbraw/zinc/35/69/02/174356902.db2.gz GLLUJOWXOAYUOS-CYBMUJFWSA-N 2 1 282.453 2.029 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000311758310 414860923 /nfs/dbraw/zinc/86/09/23/414860923.db2.gz VZFIBEUSZZFMLB-GJZGRUSLSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000311758310 414860929 /nfs/dbraw/zinc/86/09/29/414860929.db2.gz VZFIBEUSZZFMLB-GJZGRUSLSA-N 2 1 264.413 2.347 10 0 CEAEMP C[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1C ZINC000043818151 175113451 /nfs/dbraw/zinc/11/34/51/175113451.db2.gz JSSJPJRATWLNSL-KRWDZBQOSA-N 2 1 275.440 2.201 10 0 CEAEMP CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043966763 175127816 /nfs/dbraw/zinc/12/78/16/175127816.db2.gz RDIATCDSOKCLMG-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043966763 175127817 /nfs/dbraw/zinc/12/78/17/175127817.db2.gz RDIATCDSOKCLMG-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@H]1CCN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136745 175314190 /nfs/dbraw/zinc/31/41/90/175314190.db2.gz AYCLZLAIYRHBED-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373282 175364742 /nfs/dbraw/zinc/36/47/42/175364742.db2.gz SZAPGRDBHGYSPD-IJEWVQPXSA-N 2 1 284.444 2.415 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373282 175364743 /nfs/dbraw/zinc/36/47/43/175364743.db2.gz SZAPGRDBHGYSPD-IJEWVQPXSA-N 2 1 284.444 2.415 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[NH+](CC)CC)[NH2+]C ZINC000045375836 175366216 /nfs/dbraw/zinc/36/62/16/175366216.db2.gz MLAMOOVQPCPQMP-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378079 175367739 /nfs/dbraw/zinc/36/77/39/175367739.db2.gz MZUNZNXWGRPIMJ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045378079 175367740 /nfs/dbraw/zinc/36/77/40/175367740.db2.gz MZUNZNXWGRPIMJ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378067 175367789 /nfs/dbraw/zinc/36/77/89/175367789.db2.gz CMELWNDBJTXZFO-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045378067 175367790 /nfs/dbraw/zinc/36/77/90/175367790.db2.gz CMELWNDBJTXZFO-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP C[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045379177 175368512 /nfs/dbraw/zinc/36/85/12/175368512.db2.gz IJQYQTMOLLSXDM-INIZCTEOSA-N 2 1 281.444 2.027 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CCc2ccccc2C1 ZINC000045378781 175368634 /nfs/dbraw/zinc/36/86/34/175368634.db2.gz IBVCWSNWFVNNLV-KRWDZBQOSA-N 2 1 290.407 2.105 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1CCc2ccccc2C1 ZINC000045378781 175368636 /nfs/dbraw/zinc/36/86/36/175368636.db2.gz IBVCWSNWFVNNLV-KRWDZBQOSA-N 2 1 290.407 2.105 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)CC)[NH2+]C ZINC000045381409 175370170 /nfs/dbraw/zinc/37/01/70/175370170.db2.gz GAOJYPWGSSWKSV-JSGCOSHPSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)CC)[NH2+]C ZINC000045381409 175370171 /nfs/dbraw/zinc/37/01/71/175370171.db2.gz GAOJYPWGSSWKSV-JSGCOSHPSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382220 175370953 /nfs/dbraw/zinc/37/09/53/175370953.db2.gz GGNPRCLGSRQQMR-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382220 175370955 /nfs/dbraw/zinc/37/09/55/175370955.db2.gz GGNPRCLGSRQQMR-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CCC)C1CC1)C(N)=O ZINC000045387470 175372764 /nfs/dbraw/zinc/37/27/64/175372764.db2.gz AJPLCGPGLJUPAW-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419973 175377640 /nfs/dbraw/zinc/37/76/40/175377640.db2.gz RCSSAPCJQJLBHA-HNNXBMFYSA-N 2 1 270.417 2.038 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419973 175377641 /nfs/dbraw/zinc/37/76/41/175377641.db2.gz RCSSAPCJQJLBHA-HNNXBMFYSA-N 2 1 270.417 2.038 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000071141777 176039496 /nfs/dbraw/zinc/03/94/96/176039496.db2.gz CXTABJVTHRJIOM-QWHCGFSZSA-N 2 1 276.380 2.060 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000071141777 176039498 /nfs/dbraw/zinc/03/94/98/176039498.db2.gz CXTABJVTHRJIOM-QWHCGFSZSA-N 2 1 276.380 2.060 10 0 CEAEMP CC[C@@H](C)C[C@H](CC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148934 176044563 /nfs/dbraw/zinc/04/45/63/176044563.db2.gz YCRUNDUMMIARFS-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000071161682 176046035 /nfs/dbraw/zinc/04/60/35/176046035.db2.gz YHGFTGBQXCWXIA-DZGCQCFKSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000071161682 176046036 /nfs/dbraw/zinc/04/60/36/176046036.db2.gz YHGFTGBQXCWXIA-DZGCQCFKSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161475 176046136 /nfs/dbraw/zinc/04/61/36/176046136.db2.gz XFPSLLVWCQRCLS-LJISPDSOSA-N 2 1 254.418 2.393 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161475 176046138 /nfs/dbraw/zinc/04/61/38/176046138.db2.gz XFPSLLVWCQRCLS-LJISPDSOSA-N 2 1 254.418 2.393 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071162242 176046332 /nfs/dbraw/zinc/04/63/32/176046332.db2.gz RTFZFIGXCBZJJC-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187962 176061283 /nfs/dbraw/zinc/06/12/83/176061283.db2.gz DBMRNSSNONXJMR-MGPQQGTHSA-N 2 1 281.469 2.328 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071187977 176062046 /nfs/dbraw/zinc/06/20/46/176062046.db2.gz AQSSEPRIXDAHRB-MGPQQGTHSA-N 2 1 255.450 2.022 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188140 176062857 /nfs/dbraw/zinc/06/28/57/176062857.db2.gz XHYWZQVXYGIQAM-IJEWVQPXSA-N 2 1 279.428 2.250 10 0 CEAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190661 176067656 /nfs/dbraw/zinc/06/76/56/176067656.db2.gz YIUMTOGMBGPMHH-QGTPRVQTSA-N 2 1 288.435 2.308 10 0 CEAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190661 176067658 /nfs/dbraw/zinc/06/76/58/176067658.db2.gz YIUMTOGMBGPMHH-QGTPRVQTSA-N 2 1 288.435 2.308 10 0 CEAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190661 176067659 /nfs/dbraw/zinc/06/76/59/176067659.db2.gz YIUMTOGMBGPMHH-QGTPRVQTSA-N 2 1 288.435 2.308 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191417 176069364 /nfs/dbraw/zinc/06/93/64/176069364.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 2 1 289.467 2.467 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000071191722 176072295 /nfs/dbraw/zinc/07/22/95/176072295.db2.gz KXKUGVWRVMQNPF-OAHLLOKOSA-N 2 1 290.455 2.358 10 0 CEAEMP CN(CC[NH2+]C1CCCCCC1)C[C@H]1CC[N@@H+](C)C1 ZINC000071192276 176073374 /nfs/dbraw/zinc/07/33/74/176073374.db2.gz LAXJQYIYPUVUOT-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)[NH2+][C@H]1CCN(CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071198128 176077090 /nfs/dbraw/zinc/07/70/90/176077090.db2.gz ZRXPCOABPWUFLG-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP NC(=[NH2+])c1cc(F)ccc1C[N@H+]1CCCSCC1 ZINC000071267775 176100853 /nfs/dbraw/zinc/10/08/53/176100853.db2.gz DSCBZTPMDJFMEN-UHFFFAOYSA-N 2 1 267.373 2.049 10 0 CEAEMP [NH2+]=C1c2cc(F)ccc2CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071269056 176102764 /nfs/dbraw/zinc/10/27/64/176102764.db2.gz USVHJYDSJBBNMA-CYBMUJFWSA-N 2 1 259.328 2.203 10 0 CEAEMP CC(C)(C)OC(=O)N1CC([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000071335370 176127101 /nfs/dbraw/zinc/12/71/01/176127101.db2.gz WWCIEIHVDVNUPM-UHFFFAOYSA-N 2 1 297.443 2.071 10 0 CEAEMP [NH3+][C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000071613653 176233350 /nfs/dbraw/zinc/23/33/50/176233350.db2.gz OLPLSJBZHSPNJI-SJORKVTESA-N 2 1 273.424 2.074 10 0 CEAEMP CC[C@H](CC[NH3+])CCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000079214267 177448849 /nfs/dbraw/zinc/44/88/49/177448849.db2.gz WUNXBTCPPGFWSL-JKSUJKDBSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261813004 279299263 /nfs/dbraw/zinc/29/92/63/279299263.db2.gz ZWPBYVSNTKWFAS-CVEARBPZSA-N 2 1 295.471 2.227 10 0 CEAEMP c1ccc(COCCC2(C[NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000423045274 281006656 /nfs/dbraw/zinc/00/66/56/281006656.db2.gz BWNXNGTZFUPROQ-INIZCTEOSA-N 2 1 274.408 2.325 10 0 CEAEMP C[C@H]1CCN(c2cc[nH+]cc2Br)[C@@H](C[NH3+])C1 ZINC000235615792 290592884 /nfs/dbraw/zinc/59/28/84/290592884.db2.gz FFOQUDGIMWXKTA-VHSXEESVSA-N 2 1 284.201 2.408 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261972839 301588632 /nfs/dbraw/zinc/58/86/32/301588632.db2.gz QSXPWYNIPFNFOO-GVDBMIGSSA-N 2 1 274.408 2.242 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211869254 327162873 /nfs/dbraw/zinc/16/28/73/327162873.db2.gz LOWGFGQQCHRUFT-RDTXWAMCSA-N 2 1 285.435 2.001 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654639 519721305 /nfs/dbraw/zinc/72/13/05/519721305.db2.gz CHYHGOCXSKDGKO-LSDHHAIUSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068621126 519740015 /nfs/dbraw/zinc/74/00/15/519740015.db2.gz BEZQFBIAGLICKZ-XJKSGUPXSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068621126 519740016 /nfs/dbraw/zinc/74/00/16/519740016.db2.gz BEZQFBIAGLICKZ-XJKSGUPXSA-N 2 1 283.460 2.272 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)CC(C)C)CCOCC1 ZINC000052181362 519909438 /nfs/dbraw/zinc/90/94/38/519909438.db2.gz REFUKZCAEVNSSR-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CC)O1 ZINC000052375335 519926587 /nfs/dbraw/zinc/92/65/87/519926587.db2.gz GXJSFYMCAIORJI-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]Cc1cccc(OCC[N@@H+](C)CCOC)c1 ZINC000052572852 519953487 /nfs/dbraw/zinc/95/34/87/519953487.db2.gz PWJONKLMUKTSIN-UHFFFAOYSA-N 2 1 280.412 2.143 10 0 CEAEMP CCC[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc1C ZINC000054998285 519975182 /nfs/dbraw/zinc/97/51/82/519975182.db2.gz ONVPLPZNSQWLFJ-CYBMUJFWSA-N 2 1 296.484 2.482 10 0 CEAEMP CC[N@@H+](CCOC)Cc1ccccc1C[NH2+]C1CC1 ZINC000052542804 521135257 /nfs/dbraw/zinc/13/52/57/521135257.db2.gz CELKDLABCDMMCS-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C2CCCCCC2)O1 ZINC000052482114 522095633 /nfs/dbraw/zinc/09/56/33/522095633.db2.gz SAHHBMMCNGEABS-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)oc1C ZINC000052543446 522108035 /nfs/dbraw/zinc/10/80/35/522108035.db2.gz MFHABHBGIITQNT-LLVKDONJSA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)oc1C ZINC000052543446 522108043 /nfs/dbraw/zinc/10/80/43/522108043.db2.gz MFHABHBGIITQNT-LLVKDONJSA-N 2 1 266.385 2.307 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@H]2CCCCO2)CCOCC1 ZINC000052182389 519719646 /nfs/dbraw/zinc/71/96/46/519719646.db2.gz CQWLXSYLBKZCFX-MRXNPFEDSA-N 2 1 298.471 2.282 10 0 CEAEMP CC(C)[NH2+]CCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702273 519721930 /nfs/dbraw/zinc/72/19/30/519721930.db2.gz KJJZXQXUSJSVGC-INIZCTEOSA-N 2 1 262.397 2.276 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481018 519723552 /nfs/dbraw/zinc/72/35/52/519723552.db2.gz OBDYMDRDNCKDIG-HOTGVXAUSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481026 519745289 /nfs/dbraw/zinc/74/52/89/519745289.db2.gz VBPCZYJLOBJEOH-DLBZAZTESA-N 2 1 291.439 2.307 10 0 CEAEMP CCCN1CC[NH+](CCCC[NH2+]CC(C)C)CC1 ZINC000052421725 519857285 /nfs/dbraw/zinc/85/72/85/519857285.db2.gz VWDUZFBNIPEOAY-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCCSCC2)CCOCC1 ZINC000052197947 519909605 /nfs/dbraw/zinc/90/96/05/519909605.db2.gz ILCJWGWFFPAVPL-UHFFFAOYSA-N 2 1 286.485 2.222 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183179 519910246 /nfs/dbraw/zinc/91/02/46/519910246.db2.gz OYRRGDSJUZVRTL-UHFFFAOYSA-N 2 1 298.471 2.020 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CCc2ccncc2)O1 ZINC000052483151 519936247 /nfs/dbraw/zinc/93/62/47/519936247.db2.gz ZIMLLTGVLDHPGN-SJORKVTESA-N 2 1 291.439 2.103 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346224 519951807 /nfs/dbraw/zinc/95/18/07/519951807.db2.gz QKCBNIMMOBVLSW-HOTGVXAUSA-N 2 1 280.387 2.415 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416590 519955688 /nfs/dbraw/zinc/95/56/88/519955688.db2.gz WQULCUMJCYVVCC-UONOGXRCSA-N 2 1 280.437 2.263 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)Cc2ccco2)O1 ZINC000052570649 519977817 /nfs/dbraw/zinc/97/78/17/519977817.db2.gz SNIVAXWURFTGQU-HIFRSBDPSA-N 2 1 266.385 2.259 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCOCC2(C)C)c1 ZINC000052546071 520004459 /nfs/dbraw/zinc/00/44/59/520004459.db2.gz YEFNXOLZROIMRB-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCOCC2(C)C)c1 ZINC000052546071 520004464 /nfs/dbraw/zinc/00/44/64/520004464.db2.gz YEFNXOLZROIMRB-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)[C@H](C)COC ZINC000052511945 520006976 /nfs/dbraw/zinc/00/69/76/520006976.db2.gz OHSMZZCDSYCNSJ-CYBMUJFWSA-N 2 1 250.386 2.263 10 0 CEAEMP CC[NH2+][C@@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711877 520089149 /nfs/dbraw/zinc/08/91/49/520089149.db2.gz BQGAYBILRLYXRO-HOCLYGCPSA-N 2 1 262.397 2.102 10 0 CEAEMP CC[NH2+][C@@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1C ZINC000061711877 520089153 /nfs/dbraw/zinc/08/91/53/520089153.db2.gz BQGAYBILRLYXRO-HOCLYGCPSA-N 2 1 262.397 2.102 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1CCC)C(N)=O ZINC000068650286 520112074 /nfs/dbraw/zinc/11/20/74/520112074.db2.gz IMGZJMFRWRSWGI-IUODEOHRSA-N 2 1 280.416 2.030 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630341 520113685 /nfs/dbraw/zinc/11/36/85/520113685.db2.gz LORLQKBXZOZNHX-HEHGZKQESA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630341 520113695 /nfs/dbraw/zinc/11/36/95/520113695.db2.gz LORLQKBXZOZNHX-HEHGZKQESA-N 2 1 285.476 2.375 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052372147 520320022 /nfs/dbraw/zinc/32/00/22/520320022.db2.gz PCSSBTHPJPZNHU-CQSZACIVSA-N 2 1 266.385 2.308 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C)c2)C1 ZINC000052372122 520526227 /nfs/dbraw/zinc/52/62/27/520526227.db2.gz CBRPKGWGTHQZRF-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[N@@H+](CC1CC1)CC1(C[NH2+]C)CCOCC1 ZINC000052182674 521624819 /nfs/dbraw/zinc/62/48/19/521624819.db2.gz QAXHVLBVCDJCFF-UHFFFAOYSA-N 2 1 254.418 2.125 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1OC ZINC000054627590 521955475 /nfs/dbraw/zinc/95/54/75/521955475.db2.gz URFFGUCRJSYZES-GOOCMWNKSA-N 2 1 260.381 2.410 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1OC ZINC000054627590 521955480 /nfs/dbraw/zinc/95/54/80/521955480.db2.gz URFFGUCRJSYZES-GOOCMWNKSA-N 2 1 260.381 2.410 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542128 522095415 /nfs/dbraw/zinc/09/54/15/522095415.db2.gz VCCVBOJDPGYLQY-HUUCEWRRSA-N 2 1 280.437 2.480 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)CCc2ccncc2)oc1C ZINC000052483077 522104876 /nfs/dbraw/zinc/10/48/76/522104876.db2.gz BKVVBCACUIICOU-UHFFFAOYSA-N 2 1 273.380 2.377 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1occc1C[NH2+]CC(C)C ZINC000052511460 522218215 /nfs/dbraw/zinc/21/82/15/522218215.db2.gz UERIWHQLSIPCSE-CYBMUJFWSA-N 2 1 268.401 2.492 10 0 CEAEMP C[N@@H+](CC1CC1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052483694 522630318 /nfs/dbraw/zinc/63/03/18/522630318.db2.gz IZSSRPYOSUWNMF-KBPBESRZSA-N 2 1 254.418 2.264 10 0 CEAEMP CN(CCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000054627663 522751635 /nfs/dbraw/zinc/75/16/35/522751635.db2.gz KLNCYPSGIMBRAQ-ZXFUBFMLSA-N 2 1 273.424 2.467 10 0 CEAEMP C[N@H+](Cc1cccc(F)c1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761070 523312430 /nfs/dbraw/zinc/31/24/30/523312430.db2.gz PRPKICUEABQZNU-UHFFFAOYSA-N 2 1 272.327 2.137 10 0 CEAEMP C[N@@H+](Cc1cccc(F)c1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761070 523312438 /nfs/dbraw/zinc/31/24/38/523312438.db2.gz PRPKICUEABQZNU-UHFFFAOYSA-N 2 1 272.327 2.137 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571294 523343918 /nfs/dbraw/zinc/34/39/18/523343918.db2.gz SOBJLPNAAOGTKZ-STQMWFEESA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571294 523343928 /nfs/dbraw/zinc/34/39/28/523343928.db2.gz SOBJLPNAAOGTKZ-STQMWFEESA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C[NH2+]C ZINC000052571228 523345946 /nfs/dbraw/zinc/34/59/46/523345946.db2.gz USGDTZAJWIPCRS-BBRMVZONSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571057 523506872 /nfs/dbraw/zinc/50/68/72/523506872.db2.gz RLTUJPFTXNLYBK-GXFFZTMASA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571057 523506878 /nfs/dbraw/zinc/50/68/78/523506878.db2.gz RLTUJPFTXNLYBK-GXFFZTMASA-N 2 1 252.358 2.046 10 0 CEAEMP CN1CC[NH+](Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052379586 523910751 /nfs/dbraw/zinc/91/07/51/523910751.db2.gz OUBNOCFAEHRCAY-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553682 524167257 /nfs/dbraw/zinc/16/72/57/524167257.db2.gz UKKJRTPWPIPLEA-VXGBXAGGSA-N 2 1 291.395 2.008 10 0 CEAEMP Cc1cccc(N2CC[NH+](Cc3ccoc3C[NH3+])CC2)c1 ZINC000052418938 524559091 /nfs/dbraw/zinc/55/90/91/524559091.db2.gz INTRZKHWMDTVLF-UHFFFAOYSA-N 2 1 285.391 2.369 10 0 CEAEMP c1ccc2c(c1)C[NH2+]C[C@H]2N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069267297 526506484 /nfs/dbraw/zinc/50/64/84/526506484.db2.gz HVFPGTORISNUGX-NVXWUHKLSA-N 2 1 271.408 2.001 10 0 CEAEMP Cc1nc2sccn2c1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554053 527212162 /nfs/dbraw/zinc/21/21/62/527212162.db2.gz VFRFXTPPJBSJBL-JTQLQIEISA-N 2 1 266.414 2.134 10 0 CEAEMP [NH3+]C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482322 527239796 /nfs/dbraw/zinc/23/97/96/527239796.db2.gz YJKCOKGPYKLBID-YJNKXOJESA-N 2 1 252.402 2.005 10 0 CEAEMP [NH3+]C[C@H]1CC[C@H](C[N@@H+](Cc2cccs2)C2CC2)O1 ZINC000052370697 527240838 /nfs/dbraw/zinc/24/08/38/527240838.db2.gz JAANDXSDBRSKFO-CHWSQXEVSA-N 2 1 266.410 2.219 10 0 CEAEMP CC[NH+](CC)CCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000191841367 535510578 /nfs/dbraw/zinc/51/05/78/535510578.db2.gz GBTBMQJIJQZUQA-HOTGVXAUSA-N 2 1 296.480 2.488 10 0 CEAEMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000191841367 535510582 /nfs/dbraw/zinc/51/05/82/535510582.db2.gz GBTBMQJIJQZUQA-HOTGVXAUSA-N 2 1 296.480 2.488 10 0 CEAEMP CC(C)[C@@H]1O[C@]2(CCC[N@@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143761 574510296 /nfs/dbraw/zinc/51/02/96/574510296.db2.gz MQOJBJFFNDGCGV-ZFWWWQNUSA-N 2 1 252.402 2.223 10 0 CEAEMP C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919591 624695415 /nfs/dbraw/zinc/69/54/15/624695415.db2.gz XPPTWZJWKDCAFZ-ZNMIVQPWSA-N 2 1 252.402 2.020 10 0 CEAEMP CC[NH2+]CC1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000088760847 640010006 /nfs/dbraw/zinc/01/00/06/640010006.db2.gz YELJOXYHTPHDJW-UHFFFAOYSA-N 2 1 262.401 2.173 10 0 CEAEMP C[N@@H+](CCCCCCOC1CC[NH2+]CC1)C1CC1 ZINC000164413050 344472045 /nfs/dbraw/zinc/47/20/45/344472045.db2.gz GACYNNJKVBSTSM-UHFFFAOYSA-N 2 1 254.418 2.410 10 0 CEAEMP Cc1cc(N2CCc3ccccc3[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000227724780 344556374 /nfs/dbraw/zinc/55/63/74/344556374.db2.gz SIBPZBSMSDBICR-OAHLLOKOSA-N 2 1 268.364 2.156 10 0 CEAEMP C[N@@H+](Cc1ccc(CO)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328652641 344758032 /nfs/dbraw/zinc/75/80/32/344758032.db2.gz WOBKIFCJZJIBNZ-MRXNPFEDSA-N 2 1 285.391 2.070 10 0 CEAEMP C[N@H+](Cc1ccc(CO)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328652641 344758035 /nfs/dbraw/zinc/75/80/35/344758035.db2.gz WOBKIFCJZJIBNZ-MRXNPFEDSA-N 2 1 285.391 2.070 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)c1 ZINC000399116664 344857214 /nfs/dbraw/zinc/85/72/14/344857214.db2.gz NAXWCGQMZSYYRI-AWEZNQCLSA-N 2 1 262.397 2.102 10 0 CEAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000584645467 344972547 /nfs/dbraw/zinc/97/25/47/344972547.db2.gz ZNPWFBUZGMDYTB-YOEHRIQHSA-N 2 1 273.424 2.376 10 0 CEAEMP C[C@H]([NH3+])c1ccc(C[N@@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000584645467 344972551 /nfs/dbraw/zinc/97/25/51/344972551.db2.gz ZNPWFBUZGMDYTB-YOEHRIQHSA-N 2 1 273.424 2.376 10 0 CEAEMP C[C@H]([NH3+])c1ccc(C[N@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000584645467 344972553 /nfs/dbraw/zinc/97/25/53/344972553.db2.gz ZNPWFBUZGMDYTB-YOEHRIQHSA-N 2 1 273.424 2.376 10 0 CEAEMP CC[N@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CCCC1 ZINC000085300147 179009758 /nfs/dbraw/zinc/00/97/58/179009758.db2.gz FZDATNZGDSLETO-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP CC[N@@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CCCC1 ZINC000085300147 179009760 /nfs/dbraw/zinc/00/97/60/179009760.db2.gz FZDATNZGDSLETO-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP CCN(CC)C(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403780 179052936 /nfs/dbraw/zinc/05/29/36/179052936.db2.gz NGIAWIMERUGUIH-MRXNPFEDSA-N 2 1 295.471 2.099 10 0 CEAEMP Cc1nccn1CC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403843 179053056 /nfs/dbraw/zinc/05/30/56/179053056.db2.gz DJQLGZRAHUUESS-KRWDZBQOSA-N 2 1 290.455 2.436 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@](C)(C2CC2)[NH2+]CC1(C)C ZINC000085514533 179086156 /nfs/dbraw/zinc/08/61/56/179086156.db2.gz QOUXLSYCZAUTQJ-MRXNPFEDSA-N 2 1 276.428 2.044 10 0 CEAEMP C[N@H+]1CCC[C@@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572759 179097293 /nfs/dbraw/zinc/09/72/93/179097293.db2.gz WSSABIXEPCJWHK-CYBMUJFWSA-N 2 1 290.455 2.168 10 0 CEAEMP CC(C)Cc1nc2c(n1C[C@H]1CCCC[N@H+]1C)CC[NH2+]C2 ZINC000085572820 179098314 /nfs/dbraw/zinc/09/83/14/179098314.db2.gz OUZGNNHYVYMGSR-CQSZACIVSA-N 2 1 290.455 2.212 10 0 CEAEMP CCC1(CC)C[N@@H+](C[C@H]2CCCCO2)CCC[NH2+]1 ZINC000085617489 179104466 /nfs/dbraw/zinc/10/44/66/179104466.db2.gz AJVKPLMLLZRZLX-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085674283 179111729 /nfs/dbraw/zinc/11/17/29/179111729.db2.gz BHJDVDNRWWZANH-XQLPTFJDSA-N 2 1 266.429 2.121 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086173736 179244743 /nfs/dbraw/zinc/24/47/43/179244743.db2.gz SNJHGDNDPGEULX-HRCADAONSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1CN[C@H](C(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086173646 179244929 /nfs/dbraw/zinc/24/49/29/179244929.db2.gz PWPQJRXFINJFFV-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086173646 179244931 /nfs/dbraw/zinc/24/49/31/179244931.db2.gz PWPQJRXFINJFFV-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086174171 179245471 /nfs/dbraw/zinc/24/54/71/179245471.db2.gz UURGXJOOHOPTBW-BRWVUGGUSA-N 2 1 281.488 2.425 10 0 CEAEMP CC(C)C[C@@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146753 179239784 /nfs/dbraw/zinc/23/97/84/179239784.db2.gz KFERGGAORIGHHW-MRXNPFEDSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146753 179239786 /nfs/dbraw/zinc/23/97/86/179239786.db2.gz KFERGGAORIGHHW-MRXNPFEDSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146753 179239789 /nfs/dbraw/zinc/23/97/89/179239789.db2.gz KFERGGAORIGHHW-MRXNPFEDSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146753 179239790 /nfs/dbraw/zinc/23/97/90/179239790.db2.gz KFERGGAORIGHHW-MRXNPFEDSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146753 179239792 /nfs/dbraw/zinc/23/97/92/179239792.db2.gz KFERGGAORIGHHW-MRXNPFEDSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223034 179251079 /nfs/dbraw/zinc/25/10/79/179251079.db2.gz OBNNTZZJWGASKE-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223185 179251983 /nfs/dbraw/zinc/25/19/83/179251983.db2.gz VZGGZBNVCIBAJF-BZUAXINKSA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259587 179257766 /nfs/dbraw/zinc/25/77/66/179257766.db2.gz OVCHMINBZTYZQS-DJIMGWMZSA-N 2 1 277.456 2.076 10 0 CEAEMP CCC[C@H]1C[N@@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261132 179260091 /nfs/dbraw/zinc/26/00/91/179260091.db2.gz YNELUSNYMRYMKN-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[C@H]1CN(CCCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086261132 179260093 /nfs/dbraw/zinc/26/00/93/179260093.db2.gz YNELUSNYMRYMKN-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288756 179264142 /nfs/dbraw/zinc/26/41/42/179264142.db2.gz NPMOCIFABUKUTC-INIZCTEOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288756 179264143 /nfs/dbraw/zinc/26/41/43/179264143.db2.gz NPMOCIFABUKUTC-INIZCTEOSA-N 2 1 261.413 2.334 10 0 CEAEMP C[C@H]([C@@H]1CCCO1)[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086287099 179264202 /nfs/dbraw/zinc/26/42/02/179264202.db2.gz ADRIXZDXDFEJEZ-VHDGCEQUSA-N 2 1 252.402 2.018 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287087 179264395 /nfs/dbraw/zinc/26/43/95/179264395.db2.gz GFMRCZKLCPPUPS-XQLPTFJDSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086288661 179264798 /nfs/dbraw/zinc/26/47/98/179264798.db2.gz GRYZHYVUWIYECD-OAGGEKHMSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258989 179257120 /nfs/dbraw/zinc/25/71/20/179257120.db2.gz KIDSLTRTDYUILB-QZTJIDSGSA-N 2 1 293.499 2.427 10 0 CEAEMP C1C[C@@H]2[C@H](N3CCC[NH2+]C4(CCCCC4)C3)CC[N@H+]2C1 ZINC000086290846 179265831 /nfs/dbraw/zinc/26/58/31/179265831.db2.gz IIEUKYLZKOYUGN-HZPDHXFCSA-N 2 1 277.456 2.221 10 0 CEAEMP CCC1(CC)CN([C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000086292000 179266688 /nfs/dbraw/zinc/26/66/88/179266688.db2.gz NJAGXNRLSRDYGO-HNNXBMFYSA-N 2 1 265.445 2.077 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086293294 179266851 /nfs/dbraw/zinc/26/68/51/179266851.db2.gz LLKLQNHNZRXTMU-CQSZACIVSA-N 3 1 255.450 2.038 10 0 CEAEMP C[NH+](C)CCCCN1CCC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086293294 179266853 /nfs/dbraw/zinc/26/68/53/179266853.db2.gz LLKLQNHNZRXTMU-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293511 179267422 /nfs/dbraw/zinc/26/74/22/179267422.db2.gz NLBYXSPJTXIWOZ-YJNKXOJESA-N 2 1 254.418 2.264 10 0 CEAEMP CSCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086298457 179268447 /nfs/dbraw/zinc/26/84/47/179268447.db2.gz KYQXYPTUFLWEIC-HNNXBMFYSA-N 2 1 264.438 2.256 10 0 CEAEMP CSCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086298457 179268449 /nfs/dbraw/zinc/26/84/49/179268449.db2.gz KYQXYPTUFLWEIC-HNNXBMFYSA-N 2 1 264.438 2.256 10 0 CEAEMP CC(C)[C@H]1C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298026 179268840 /nfs/dbraw/zinc/26/88/40/179268840.db2.gz HWJYJCFDWULTFB-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298026 179268842 /nfs/dbraw/zinc/26/88/42/179268842.db2.gz HWJYJCFDWULTFB-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CCCC1CCN([C@]2(C[NH3+])CCC[N@@H+](C)CC2)CC1 ZINC000086819542 179348782 /nfs/dbraw/zinc/34/87/82/179348782.db2.gz QLLBTBXCGPOZEI-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000086836145 179349245 /nfs/dbraw/zinc/34/92/45/179349245.db2.gz LJTGOVYBHNSOCK-CABCVRRESA-N 2 1 279.428 2.346 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000086836145 179349247 /nfs/dbraw/zinc/34/92/47/179349247.db2.gz LJTGOVYBHNSOCK-CABCVRRESA-N 2 1 279.428 2.346 10 0 CEAEMP C[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817298 179344343 /nfs/dbraw/zinc/34/43/43/179344343.db2.gz IOBOMMMEDQPXNX-QGZVFWFLSA-N 3 1 275.440 2.322 10 0 CEAEMP C[NH+](C)Cc1ccccc1CN[C@@H]1CCC[N@H+](C)CC1 ZINC000086817298 179344344 /nfs/dbraw/zinc/34/43/44/179344344.db2.gz IOBOMMMEDQPXNX-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP C[NH+](C)Cc1ccccc1CN[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817298 179344346 /nfs/dbraw/zinc/34/43/46/179344346.db2.gz IOBOMMMEDQPXNX-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2cccc(OC)c2)CC1 ZINC000086848308 179357174 /nfs/dbraw/zinc/35/71/74/179357174.db2.gz OGBVHIRWCVUGKQ-QGZVFWFLSA-N 2 1 291.439 2.335 10 0 CEAEMP CC(C)[C@H](CN[C@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836667 179351147 /nfs/dbraw/zinc/35/11/47/179351147.db2.gz BCPHVCUNPDVSDE-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836698 179351226 /nfs/dbraw/zinc/35/12/26/179351226.db2.gz FTJSWPOLALSNJT-IRXDYDNUSA-N 2 1 298.471 2.425 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842234 179352658 /nfs/dbraw/zinc/35/26/58/179352658.db2.gz HCWRGCGGSKTHSB-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCc3sccc3C2)CC1 ZINC000086846310 179354424 /nfs/dbraw/zinc/35/44/24/179354424.db2.gz IJOZLKAYOUDTHD-MRXNPFEDSA-N 2 1 293.480 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846190 179355055 /nfs/dbraw/zinc/35/50/55/179355055.db2.gz KSTHQYMZOWPVMX-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CCCN(CCC)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846506 179355368 /nfs/dbraw/zinc/35/53/68/179355368.db2.gz MQTCAKMPONWDLG-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[NH+](CCC)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846506 179355371 /nfs/dbraw/zinc/35/53/71/179355371.db2.gz MQTCAKMPONWDLG-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[NH+](CCC)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846506 179355372 /nfs/dbraw/zinc/35/53/72/179355372.db2.gz MQTCAKMPONWDLG-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000086891420 179366256 /nfs/dbraw/zinc/36/62/56/179366256.db2.gz PPJKADDOCRUZCF-OAGGEKHMSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[C@@H]1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917009 179368152 /nfs/dbraw/zinc/36/81/52/179368152.db2.gz GIPZLFBYJCEEBD-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC1(O)CCCC1 ZINC000087015894 179380231 /nfs/dbraw/zinc/38/02/31/179380231.db2.gz VNORWGDZWWMWRR-XYPWUTKMSA-N 2 1 280.456 2.390 10 0 CEAEMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087051306 179389042 /nfs/dbraw/zinc/38/90/42/179389042.db2.gz WAEDKUIGBRJHTO-QKPAOTATSA-N 2 1 268.445 2.248 10 0 CEAEMP CCC[NH2+][C@H](CSCC)Cc1cc[nH+]c(N)c1 ZINC000087106095 179394930 /nfs/dbraw/zinc/39/49/30/179394930.db2.gz WYBLQGHEAZKBJA-LBPRGKRZSA-N 2 1 253.415 2.328 10 0 CEAEMP c1c[nH]c([C@@H]2COCC[N@H+](Cc3ccccc3)C2)n1 ZINC000616658781 348551192 /nfs/dbraw/zinc/55/11/92/348551192.db2.gz FAOWACNPVSHMCP-AWEZNQCLSA-N 2 1 257.337 2.026 10 0 CEAEMP CC(C)[N@H+](C)CCCCNC(=O)c1csc([C@@H](C)[NH3+])n1 ZINC000090953363 180074218 /nfs/dbraw/zinc/07/42/18/180074218.db2.gz OWRQVEBLMUVHCN-LLVKDONJSA-N 2 1 298.456 2.013 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)c1csc([C@@H](C)[NH3+])n1 ZINC000090953363 180074220 /nfs/dbraw/zinc/07/42/20/180074220.db2.gz OWRQVEBLMUVHCN-LLVKDONJSA-N 2 1 298.456 2.013 10 0 CEAEMP CC[C@@H]1CCC[N@@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958053 180075050 /nfs/dbraw/zinc/07/50/50/180075050.db2.gz DPKQGSQEPRBVHO-LLVKDONJSA-N 2 1 253.415 2.266 10 0 CEAEMP c1ccc2c(c1)C[C@@H]2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000090976396 180079118 /nfs/dbraw/zinc/07/91/18/180079118.db2.gz SIIOSUBEOMLPPH-UKRRQHHQSA-N 2 1 256.393 2.400 10 0 CEAEMP CCCn1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000091012214 180086075 /nfs/dbraw/zinc/08/60/75/180086075.db2.gz PIWCZEXZFOLLLO-OAHLLOKOSA-N 2 1 261.413 2.472 10 0 CEAEMP CCC1(C)CC[NH+]([C@@H](CN)CC(=O)NC(C)(C)C)CC1 ZINC000091321598 180134796 /nfs/dbraw/zinc/13/47/96/180134796.db2.gz QVSFKOIFYQPMLL-CYBMUJFWSA-N 2 1 283.460 2.131 10 0 CEAEMP C[N@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccc(F)cc1 ZINC000091292060 180123679 /nfs/dbraw/zinc/12/36/79/180123679.db2.gz IDQHXZFJSHRTST-AWEZNQCLSA-N 2 1 268.401 2.353 10 0 CEAEMP C[N@@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccc(F)cc1 ZINC000091292060 180123680 /nfs/dbraw/zinc/12/36/80/180123680.db2.gz IDQHXZFJSHRTST-AWEZNQCLSA-N 2 1 268.401 2.353 10 0 CEAEMP C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490577 180169513 /nfs/dbraw/zinc/16/95/13/180169513.db2.gz KTDKLRVGNSNMMB-HXSCFSKGSA-N 2 1 268.445 2.103 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091499033 180173769 /nfs/dbraw/zinc/17/37/69/180173769.db2.gz VHUIQLDBIZAUND-OHYMQKJLSA-N 2 1 282.472 2.494 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+](CCOC)[C@@H](C)COC ZINC000091404230 180147301 /nfs/dbraw/zinc/14/73/01/180147301.db2.gz CXTTZYPDBGJDKW-LSDHHAIUSA-N 2 1 288.476 2.384 10 0 CEAEMP CCC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCC1 ZINC000091563636 180192940 /nfs/dbraw/zinc/19/29/40/180192940.db2.gz ZWMSBCGYWMFUKW-INIZCTEOSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@@](C)(CC)[NH+](C)C ZINC000091571371 180196246 /nfs/dbraw/zinc/19/62/46/180196246.db2.gz IHLZGLCXRLQODX-JKSUJKDBSA-N 2 1 280.460 2.462 10 0 CEAEMP CCn1nc(C)cc1C[C@@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 ZINC000091605391 180204124 /nfs/dbraw/zinc/20/41/24/180204124.db2.gz RNSOQMMFZHNOAW-CVEARBPZSA-N 2 1 278.444 2.346 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527932 180179797 /nfs/dbraw/zinc/17/97/97/180179797.db2.gz NEIZRWVATRNGNE-GOEBONIOSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)N(CC)CC ZINC000091531680 180180218 /nfs/dbraw/zinc/18/02/18/180180218.db2.gz JELLZRXBEUMMPR-HNNXBMFYSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(CC)nn1CC)C(C)(C)[NH+](C)C ZINC000091529101 180180872 /nfs/dbraw/zinc/18/08/72/180180872.db2.gz DYIAFKPLGJGDFR-OAHLLOKOSA-N 2 1 280.460 2.326 10 0 CEAEMP Cn1nc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)c2ccccc21 ZINC000091533704 180181469 /nfs/dbraw/zinc/18/14/69/180181469.db2.gz YBBUVFLBVVXFKU-MRXNPFEDSA-N 2 1 286.423 2.318 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCC1 ZINC000091536250 180182551 /nfs/dbraw/zinc/18/25/51/180182551.db2.gz XYKMDQURBTVWOA-HNNXBMFYSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@H](Cc1cccnc1N)C1([NH+](C)C)CCCC1 ZINC000091638338 180212493 /nfs/dbraw/zinc/21/24/93/180212493.db2.gz WOBJVVXIEURCBD-OAHLLOKOSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@H](CC[NH+](CC)CC)c1ccnn1C ZINC000091716891 180232976 /nfs/dbraw/zinc/23/29/76/180232976.db2.gz MDHCKVIMJCHDNU-CYBMUJFWSA-N 2 1 252.406 2.193 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720951 180237026 /nfs/dbraw/zinc/23/70/26/180237026.db2.gz ZRXKEFBWGCJUIG-FGTMMUONSA-N 2 1 288.435 2.243 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720951 180237031 /nfs/dbraw/zinc/23/70/31/180237031.db2.gz ZRXKEFBWGCJUIG-FGTMMUONSA-N 2 1 288.435 2.243 10 0 CEAEMP CC(C)[NH2+]Cc1cnc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091722443 180240979 /nfs/dbraw/zinc/24/09/79/180240979.db2.gz RBHHFVIWYHTFBF-DGCLKSJQSA-N 2 1 281.425 2.177 10 0 CEAEMP CC(C)[NH2+]Cc1cnc([C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091722443 180240981 /nfs/dbraw/zinc/24/09/81/180240981.db2.gz RBHHFVIWYHTFBF-DGCLKSJQSA-N 2 1 281.425 2.177 10 0 CEAEMP CC[NH2+][C@H](CCC1CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721849 180241082 /nfs/dbraw/zinc/24/10/82/180241082.db2.gz OVHPNZUILQHEAW-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+][C@H](CCC1CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721849 180241085 /nfs/dbraw/zinc/24/10/85/180241085.db2.gz OVHPNZUILQHEAW-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC2(CC1)OCCO2 ZINC000091853661 180273430 /nfs/dbraw/zinc/27/34/30/180273430.db2.gz NLIZVEPCQZPJGV-UHFFFAOYSA-N 2 1 282.428 2.090 10 0 CEAEMP CC(C)n1cncc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091844502 180269543 /nfs/dbraw/zinc/26/95/43/180269543.db2.gz PBDHXYSESSTHIL-UHFFFAOYSA-N 2 1 250.390 2.166 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000091870308 180277079 /nfs/dbraw/zinc/27/70/79/180277079.db2.gz RITTUHAWWNMBPP-UHFFFAOYSA-N 2 1 289.423 2.478 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091870557 180277232 /nfs/dbraw/zinc/27/72/32/180277232.db2.gz LCNJJBAJHLJORS-HLIUYOAVSA-N 2 1 289.423 2.476 10 0 CEAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1nc(C)ccc1O ZINC000091996173 180302235 /nfs/dbraw/zinc/30/22/35/180302235.db2.gz KKLJZNKLHYICGB-ZDUSSCGKSA-N 2 1 263.385 2.060 10 0 CEAEMP CC(C)[NH2+]Cc1ccoc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003624 180304389 /nfs/dbraw/zinc/30/43/89/180304389.db2.gz NJCGKJZAFUPRNY-CVEARBPZSA-N 2 1 291.439 2.446 10 0 CEAEMP C[C@H]([NH3+])c1cccc(SC[C@H]2C[N@H+](C)CCO2)c1 ZINC000092080087 180318186 /nfs/dbraw/zinc/31/81/86/180318186.db2.gz VIYDFLDUBJJZJF-WCQYABFASA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@H]([NH3+])c1cccc(SC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000092080087 180318188 /nfs/dbraw/zinc/31/81/88/180318188.db2.gz VIYDFLDUBJJZJF-WCQYABFASA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@H]([NH3+])c1ccc(SC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092080061 180318617 /nfs/dbraw/zinc/31/86/17/180318617.db2.gz DDANUUBTIGBWFN-AAEUAGOBSA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@H]([NH3+])c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080061 180318620 /nfs/dbraw/zinc/31/86/20/180318620.db2.gz DDANUUBTIGBWFN-AAEUAGOBSA-N 2 1 266.410 2.129 10 0 CEAEMP CNc1cc[nH+]c(C[N@H+](CCOC)CC(C)C)c1 ZINC000092418376 180381374 /nfs/dbraw/zinc/38/13/74/180381374.db2.gz GIUCEFICZIBRGE-UHFFFAOYSA-N 2 1 251.374 2.228 10 0 CEAEMP CNc1cc[nH+]c(C[N@@H+](CCOC)CC(C)C)c1 ZINC000092418376 180381376 /nfs/dbraw/zinc/38/13/76/180381376.db2.gz GIUCEFICZIBRGE-UHFFFAOYSA-N 2 1 251.374 2.228 10 0 CEAEMP COc1ccc(C[NH+]2C[C@H](C)C[NH2+]C[C@@H](C)C2)c(OC)c1 ZINC000109555076 186262541 /nfs/dbraw/zinc/26/25/41/186262541.db2.gz DFGOXAHZKVUVOF-ZIAGYGMSSA-N 2 1 292.423 2.381 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000109603709 186267086 /nfs/dbraw/zinc/26/70/86/186267086.db2.gz JWINACLOKWVNFM-AWEZNQCLSA-N 2 1 294.370 2.060 10 0 CEAEMP C[C@H]1CCC[N@@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000110812123 186326056 /nfs/dbraw/zinc/32/60/56/186326056.db2.gz KFJNMGKKYISXGX-AWEZNQCLSA-N 2 1 293.459 2.288 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)CC1CCCC1)C(N)=O ZINC000110841257 186328311 /nfs/dbraw/zinc/32/83/11/186328311.db2.gz ALUQOABDIMBHHD-MRXNPFEDSA-N 2 1 283.460 2.132 10 0 CEAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704913 186313906 /nfs/dbraw/zinc/31/39/06/186313906.db2.gz WPZXZWVNKPMRGH-GOEBONIOSA-N 2 1 275.440 2.409 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccsc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705152 186314471 /nfs/dbraw/zinc/31/44/71/186314471.db2.gz XLUBEWODOHONKA-WCQYABFASA-N 2 1 267.442 2.162 10 0 CEAEMP COc1cccc([C@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704897 186314781 /nfs/dbraw/zinc/31/47/81/186314781.db2.gz FGDSYJHHIIHNFG-BBRMVZONSA-N 2 1 291.439 2.110 10 0 CEAEMP COc1cccc([C@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704899 186314999 /nfs/dbraw/zinc/31/49/99/186314999.db2.gz FGDSYJHHIIHNFG-CJNGLKHVSA-N 2 1 291.439 2.110 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716901 186315286 /nfs/dbraw/zinc/31/52/86/186315286.db2.gz WWRUKEHXXASRDA-ZNMIVQPWSA-N 2 1 267.461 2.179 10 0 CEAEMP CCOc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110712183 186315595 /nfs/dbraw/zinc/31/55/95/186315595.db2.gz QOLBPZZCDPMWCX-MRXNPFEDSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[NH2+][C@@H](CN1CC[N@@H+](C)[C@@H](CC)C1)c1ccccc1 ZINC000110715825 186316451 /nfs/dbraw/zinc/31/64/51/186316451.db2.gz KGGGNXREUQRYTF-IRXDYDNUSA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@H](C[NH2+]C1CCCCC1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757701 186319744 /nfs/dbraw/zinc/31/97/44/186319744.db2.gz JLXBDPIOPJCJMH-CQSZACIVSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000110751263 186319836 /nfs/dbraw/zinc/31/98/36/186319836.db2.gz AGXFRYSKJVUWOR-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@H](C)c1cnc(N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110758808 186320048 /nfs/dbraw/zinc/32/00/48/186320048.db2.gz DMEDAUCWFLHDMY-NSHDSACASA-N 2 1 282.457 2.344 10 0 CEAEMP C[C@H](CC[NH2+]C(C)(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755307 186320131 /nfs/dbraw/zinc/32/01/31/186320131.db2.gz LRWAVEBEYQBXCQ-CYBMUJFWSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1C[N@@H+](CCCCC[NH2+]CC(C)C)CCN1C ZINC000110753814 186320168 /nfs/dbraw/zinc/32/01/68/186320168.db2.gz BVDAWBBBQXMCNK-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[C@H]1CN(CCCCC[NH2+]CC(C)C)CC[N@@H+]1C ZINC000110753814 186320169 /nfs/dbraw/zinc/32/01/69/186320169.db2.gz BVDAWBBBQXMCNK-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[C@H]1CN(CCCCC[NH2+]CC(C)C)CC[N@H+]1C ZINC000110753814 186320172 /nfs/dbraw/zinc/32/01/72/186320172.db2.gz BVDAWBBBQXMCNK-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]Cc1cnc(N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110758764 186320919 /nfs/dbraw/zinc/32/09/19/186320919.db2.gz UINSBUZQOXAUBZ-UHFFFAOYSA-N 2 1 282.457 2.172 10 0 CEAEMP CC[C@@H]1CN(c2ncc(C[NH2+]CC(C)C)s2)CC[N@H+]1C ZINC000110758636 186321069 /nfs/dbraw/zinc/32/10/69/186321069.db2.gz YICAQHLLRAKOJV-CYBMUJFWSA-N 2 1 296.484 2.419 10 0 CEAEMP CC(C)CC[NH2+]C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757961 186321778 /nfs/dbraw/zinc/32/17/78/186321778.db2.gz HPPPINOAQXVTNM-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP Cc1ccccc1[C@H](O)CC[N@@H+](C)CCC[NH+](C)C ZINC000111148729 186359307 /nfs/dbraw/zinc/35/93/07/186359307.db2.gz GFSSBIMARJRDSW-MRXNPFEDSA-N 2 1 264.413 2.302 10 0 CEAEMP Cc1ccccc1[C@H](O)CC[N@H+](C)CCC[NH+](C)C ZINC000111148729 186359309 /nfs/dbraw/zinc/35/93/09/186359309.db2.gz GFSSBIMARJRDSW-MRXNPFEDSA-N 2 1 264.413 2.302 10 0 CEAEMP C[N@@H+](CC1CCOCC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111172329 186365660 /nfs/dbraw/zinc/36/56/60/186365660.db2.gz OHODJCXJVZYJHC-UHFFFAOYSA-N 2 1 254.418 2.123 10 0 CEAEMP C[N@H+](C[C@@H]1CCCOC1)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000111172048 186365790 /nfs/dbraw/zinc/36/57/90/186365790.db2.gz CBUBQCJFNQCSRL-DOTOQJQBSA-N 2 1 276.424 2.261 10 0 CEAEMP C[N@@H+](C[C@@H]1CCCOC1)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000111172048 186365792 /nfs/dbraw/zinc/36/57/92/186365792.db2.gz CBUBQCJFNQCSRL-DOTOQJQBSA-N 2 1 276.424 2.261 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@H]2CCCOC2)CCOCC1 ZINC000111172145 186365838 /nfs/dbraw/zinc/36/58/38/186365838.db2.gz YXQYUVPKOJGAEI-MRXNPFEDSA-N 2 1 298.471 2.140 10 0 CEAEMP C[N@@H+](CCC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000111179289 186366544 /nfs/dbraw/zinc/36/65/44/186366544.db2.gz WTOLBOXKOVPMBY-CABCVRRESA-N 2 1 254.418 2.125 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H]2CC)CCCOC1 ZINC000111323332 186396655 /nfs/dbraw/zinc/39/66/55/186396655.db2.gz GBPAOPHXMHVMCK-LSDHHAIUSA-N 2 1 254.418 2.267 10 0 CEAEMP CC(C)C[NH2+]C[C@]1(C[N@@H+](C)C(C)C)CCCOC1 ZINC000111323989 186396931 /nfs/dbraw/zinc/39/69/31/186396931.db2.gz BTPHUANLFSQAMZ-HNNXBMFYSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@H+](CC)Cc2ccncc2)CCCOC1 ZINC000111326792 186398289 /nfs/dbraw/zinc/39/82/89/186398289.db2.gz NAUUCNCAGVRWHL-QGZVFWFLSA-N 2 1 291.439 2.310 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](CC)Cc2ccncc2)CCCOC1 ZINC000111326792 186398291 /nfs/dbraw/zinc/39/82/91/186398291.db2.gz NAUUCNCAGVRWHL-QGZVFWFLSA-N 2 1 291.439 2.310 10 0 CEAEMP C[NH2+]C[C@]1(C[N@H+](C)Cc2cccc(F)c2)CCCOC1 ZINC000111324517 186398443 /nfs/dbraw/zinc/39/84/43/186398443.db2.gz YDDFTRLIAGYMBZ-INIZCTEOSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2cccc(F)c2)CCCOC1 ZINC000111324517 186398445 /nfs/dbraw/zinc/39/84/45/186398445.db2.gz YDDFTRLIAGYMBZ-INIZCTEOSA-N 2 1 280.387 2.274 10 0 CEAEMP CC(C)C[N@@H+](C)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111324867 186399017 /nfs/dbraw/zinc/39/90/17/186399017.db2.gz UHWJGLPXBDOTRO-HNNXBMFYSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+][C@@H](C)C1CCN(c2[nH+]ccn2C)CC1 ZINC000111717640 186450444 /nfs/dbraw/zinc/45/04/44/186450444.db2.gz YJUNOFGVLOOWPM-LBPRGKRZSA-N 2 1 250.390 2.025 10 0 CEAEMP CO[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630363573 351712907 /nfs/dbraw/zinc/71/29/07/351712907.db2.gz BRPRCWUSDYMSML-RWMBFGLXSA-N 2 1 276.371 2.250 10 0 CEAEMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630363573 351712909 /nfs/dbraw/zinc/71/29/09/351712909.db2.gz BRPRCWUSDYMSML-RWMBFGLXSA-N 2 1 276.371 2.250 10 0 CEAEMP CO[C@@H]1C[N@H+](CCCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364367 351713314 /nfs/dbraw/zinc/71/33/14/351713314.db2.gz UZVQLTMRCARUCM-HOTGVXAUSA-N 2 1 262.397 2.057 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364367 351713317 /nfs/dbraw/zinc/71/33/17/351713317.db2.gz UZVQLTMRCARUCM-HOTGVXAUSA-N 2 1 262.397 2.057 10 0 CEAEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000122839137 187054637 /nfs/dbraw/zinc/05/46/37/187054637.db2.gz GBCQGJALHPNIDC-OAHLLOKOSA-N 2 1 287.411 2.325 10 0 CEAEMP C[N@@H+](CCCN[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539980 366234343 /nfs/dbraw/zinc/23/43/43/366234343.db2.gz YUYJCBBBPQJYDF-KRWDZBQOSA-N 2 1 275.440 2.240 10 0 CEAEMP C[N@H+](CCC[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539980 366234344 /nfs/dbraw/zinc/23/43/44/366234344.db2.gz YUYJCBBBPQJYDF-KRWDZBQOSA-N 3 1 275.440 2.240 10 0 CEAEMP C[N@@H+](CCC[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539980 366234346 /nfs/dbraw/zinc/23/43/46/366234346.db2.gz YUYJCBBBPQJYDF-KRWDZBQOSA-N 3 1 275.440 2.240 10 0 CEAEMP CN(CCC[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539980 366234347 /nfs/dbraw/zinc/23/43/47/366234347.db2.gz YUYJCBBBPQJYDF-KRWDZBQOSA-N 2 1 275.440 2.240 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000388840943 540332568 /nfs/dbraw/zinc/33/25/68/540332568.db2.gz YBOFCUSRNRWCGO-GOEBONIOSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000388840943 540332570 /nfs/dbraw/zinc/33/25/70/540332570.db2.gz YBOFCUSRNRWCGO-GOEBONIOSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151313398 366638058 /nfs/dbraw/zinc/63/80/58/366638058.db2.gz VHCVHXAGSKMRCS-CVEARBPZSA-N 2 1 276.424 2.492 10 0 CEAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1ccc3c[nH]nc3c1)C2 ZINC000275625132 193089437 /nfs/dbraw/zinc/08/94/37/193089437.db2.gz RYRIEMSGCMAVAJ-ZDUSSCGKSA-N 2 1 281.363 2.112 10 0 CEAEMP CC[C@@H](C)C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000120486996 365430994 /nfs/dbraw/zinc/43/09/94/365430994.db2.gz ZCNIJEMMIIVHRW-OAHLLOKOSA-N 2 1 278.444 2.325 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000631841176 367584071 /nfs/dbraw/zinc/58/40/71/367584071.db2.gz ZGSTTWYMXCBVRD-OCCSQVGLSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000631842070 367584204 /nfs/dbraw/zinc/58/42/04/367584204.db2.gz UUESVKFSPDEOPZ-PWSUYJOCSA-N 2 1 270.323 2.315 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000631842070 367584211 /nfs/dbraw/zinc/58/42/11/367584211.db2.gz UUESVKFSPDEOPZ-PWSUYJOCSA-N 2 1 270.323 2.315 10 0 CEAEMP COc1ccc(CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231670274 370487106 /nfs/dbraw/zinc/48/71/06/370487106.db2.gz VTVVWKAUFIKHSV-OAHLLOKOSA-N 2 1 262.397 2.312 10 0 CEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246719558 370999963 /nfs/dbraw/zinc/99/99/63/370999963.db2.gz XMZGWJYFOSKOHA-RBSFLKMASA-N 2 1 295.471 2.131 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1cnccn1 ZINC000248598349 371219525 /nfs/dbraw/zinc/21/95/25/371219525.db2.gz BEMPWMNGZFHLPV-OCCSQVGLSA-N 2 1 271.368 2.207 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1cnccn1 ZINC000248598349 371219527 /nfs/dbraw/zinc/21/95/27/371219527.db2.gz BEMPWMNGZFHLPV-OCCSQVGLSA-N 2 1 271.368 2.207 10 0 CEAEMP [NH3+]C1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000261542948 371639646 /nfs/dbraw/zinc/63/96/46/371639646.db2.gz HIAVDZOJDBNCRK-AOCRQIFASA-N 3 1 287.451 2.368 10 0 CEAEMP [NH3+]C1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000261542948 371639647 /nfs/dbraw/zinc/63/96/47/371639647.db2.gz HIAVDZOJDBNCRK-AOCRQIFASA-N 2 1 287.451 2.368 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000261557574 371644752 /nfs/dbraw/zinc/64/47/52/371644752.db2.gz XMCRTDJXMPLETH-NVXWUHKLSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261557574 371644760 /nfs/dbraw/zinc/64/47/60/371644760.db2.gz XMCRTDJXMPLETH-NVXWUHKLSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1noc(C[NH3+])n1 ZINC000261625703 371681707 /nfs/dbraw/zinc/68/17/07/371681707.db2.gz DLBMKXCJDJLHFB-SNVBAGLBSA-N 2 1 294.786 2.245 10 0 CEAEMP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261975713 371788392 /nfs/dbraw/zinc/78/83/92/371788392.db2.gz RARJMKZMIIPWFD-BBWFWOEESA-N 2 1 296.455 2.082 10 0 CEAEMP CCC1CCC([N@@H+](CCO)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261999465 371795026 /nfs/dbraw/zinc/79/50/26/371795026.db2.gz TZDVSTJHTLYZHR-HWOWSKLDSA-N 2 1 268.445 2.249 10 0 CEAEMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262029402 371804003 /nfs/dbraw/zinc/80/40/03/371804003.db2.gz XAFVLDDHMUZTSN-RBSFLKMASA-N 2 1 288.439 2.020 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1c1ccccc1 ZINC000262308299 371848589 /nfs/dbraw/zinc/84/85/89/371848589.db2.gz YOLOXBKHVJQOQZ-SJORKVTESA-N 2 1 274.408 2.087 10 0 CEAEMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000384304219 375210516 /nfs/dbraw/zinc/21/05/16/375210516.db2.gz ZYRHTKVAIXIKER-FRRDWIJNSA-N 2 1 280.441 2.247 10 0 CEAEMP CCc1nc(N(C)CC[C@@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000310641406 376630576 /nfs/dbraw/zinc/63/05/76/376630576.db2.gz CINTVSXYFVJJDT-GFCCVEGCSA-N 2 1 250.390 2.157 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562960086 377037302 /nfs/dbraw/zinc/03/73/02/377037302.db2.gz AZJDRUXVZCRCJU-RYRKJORJSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562960086 377037309 /nfs/dbraw/zinc/03/73/09/377037309.db2.gz AZJDRUXVZCRCJU-RYRKJORJSA-N 2 1 289.467 2.485 10 0 CEAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000305167796 379668088 /nfs/dbraw/zinc/66/80/88/379668088.db2.gz YXKJXUYIBRHYOU-MCIONIFRSA-N 2 1 256.434 2.103 10 0 CEAEMP CC[N@H+]1CCC[C@]2(C[NH+]=C(N)N2c2cccc(C)c2)CC1 ZINC000093379735 184669221 /nfs/dbraw/zinc/66/92/21/184669221.db2.gz SNFQTFWOWZQTFW-QGZVFWFLSA-N 2 1 286.423 2.374 10 0 CEAEMP CCOC1CC[NH+]([C@@H]2CCC(C)(C)[C@H]2[NH2+]C)CC1 ZINC000094304334 184777704 /nfs/dbraw/zinc/77/77/04/184777704.db2.gz RONXHFDABSFOTJ-KGLIPLIRSA-N 2 1 254.418 2.264 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C)[NH2+]Cc2ccccc21 ZINC000094420757 184795385 /nfs/dbraw/zinc/79/53/85/184795385.db2.gz MLFJFEAUGKSFJC-ZDUSSCGKSA-N 2 1 270.380 2.190 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccc(C2CC2)cc1 ZINC000094521000 184813824 /nfs/dbraw/zinc/81/38/24/184813824.db2.gz DTJVNCMBSDDHJG-KDOFPFPSSA-N 2 1 287.451 2.447 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH2+]C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000094088116 296493717 /nfs/dbraw/zinc/49/37/17/296493717.db2.gz QFLDVRIBIRKTGT-LMPOIIKSSA-N 3 1 267.461 2.356 10 0 CEAEMP Cc1cccc(N2CC[NH+]([C@@H]3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000070488891 134950643 /nfs/dbraw/zinc/95/06/43/134950643.db2.gz INGASDVWTWPCHE-DOTOQJQBSA-N 2 1 273.424 2.115 10 0 CEAEMP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000091402158 135068911 /nfs/dbraw/zinc/06/89/11/135068911.db2.gz MMAPZRLZQMTJTQ-CYBMUJFWSA-N 2 1 279.403 2.321 10 0 CEAEMP Cc1cc(F)cc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261935928 394608951 /nfs/dbraw/zinc/60/89/51/394608951.db2.gz MBOCOCPJGFGTBY-CYBMUJFWSA-N 2 1 262.372 2.492 10 0 CEAEMP Cc1cc(F)cc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261935928 394608954 /nfs/dbraw/zinc/60/89/54/394608954.db2.gz MBOCOCPJGFGTBY-CYBMUJFWSA-N 2 1 262.372 2.492 10 0 CEAEMP CC[N@@H+](CCC(C)(C)C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000262052806 394612632 /nfs/dbraw/zinc/61/26/32/394612632.db2.gz ZWIQRJHCCUUMFC-CYBMUJFWSA-N 2 1 270.417 2.040 10 0 CEAEMP CCC[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000121828437 394805363 /nfs/dbraw/zinc/80/53/63/394805363.db2.gz IGPHWIWWAMIUNK-LSDHHAIUSA-N 2 1 283.460 2.097 10 0 CEAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000263230706 154037950 /nfs/dbraw/zinc/03/79/50/154037950.db2.gz NIOAYDKOHNVEJN-MAUKXSAKSA-N 2 1 298.386 2.149 10 0 CEAEMP [NH3+]CCc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000020397897 171180852 /nfs/dbraw/zinc/18/08/52/171180852.db2.gz RFVZKKICKQKWDL-UHFFFAOYSA-N 2 1 273.405 2.203 10 0 CEAEMP COc1c(C)cnc(C[N@@H+](CCC[NH3+])C(C)C)c1C ZINC000037299594 173104611 /nfs/dbraw/zinc/10/46/11/173104611.db2.gz STWGAAQEWGOPAR-UHFFFAOYSA-N 2 1 265.401 2.266 10 0 CEAEMP COc1c(C)c[nH+]c(CN(CCC[NH3+])C(C)C)c1C ZINC000037299594 173104615 /nfs/dbraw/zinc/10/46/15/173104615.db2.gz STWGAAQEWGOPAR-UHFFFAOYSA-N 2 1 265.401 2.266 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(OC)c(CN2CCC[N@@H+](C)CC2)c1 ZINC000043818276 175112763 /nfs/dbraw/zinc/11/27/63/175112763.db2.gz VVGWJSIJLCLYDL-CQSZACIVSA-N 2 1 291.439 2.113 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCCCCCC1 ZINC000043819361 175113853 /nfs/dbraw/zinc/11/38/53/175113853.db2.gz MJBDLQBTSJTCKA-CABCVRRESA-N 2 1 254.418 2.410 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068463 175300257 /nfs/dbraw/zinc/30/02/57/175300257.db2.gz ADKGMNHRPRORRG-UHFFFAOYSA-N 2 1 277.412 2.452 10 0 CEAEMP C[NH2+][C@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073296 175302582 /nfs/dbraw/zinc/30/25/82/175302582.db2.gz MBYNEDQKLHTXTI-RRFJBIMHSA-N 2 1 252.402 2.018 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000045136756 175313787 /nfs/dbraw/zinc/31/37/87/175313787.db2.gz SFMSMXUTJRTHTO-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[N@@H+]1CC[C@@H](C[NH+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000045136756 175313788 /nfs/dbraw/zinc/31/37/88/175313788.db2.gz SFMSMXUTJRTHTO-XHSDSOJGSA-N 3 1 267.461 2.179 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000045136756 175313790 /nfs/dbraw/zinc/31/37/90/175313790.db2.gz SFMSMXUTJRTHTO-XHSDSOJGSA-N 3 1 267.461 2.179 10 0 CEAEMP CC(C)[NH+]1CC[C@@H](C[N@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000045136756 175313792 /nfs/dbraw/zinc/31/37/92/175313792.db2.gz SFMSMXUTJRTHTO-XHSDSOJGSA-N 3 1 267.461 2.179 10 0 CEAEMP CC(C)[NH+]1CC[C@@H](C[N@@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000045136756 175313793 /nfs/dbraw/zinc/31/37/93/175313793.db2.gz SFMSMXUTJRTHTO-XHSDSOJGSA-N 3 1 267.461 2.179 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH+]2CCC([NH3+])CC2)c1C ZINC000045173236 175322200 /nfs/dbraw/zinc/32/22/00/175322200.db2.gz FRRNDFOTHDFSOA-LLVKDONJSA-N 2 1 250.390 2.004 10 0 CEAEMP CCCC[N@H+](C)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045368351 175363004 /nfs/dbraw/zinc/36/30/04/175363004.db2.gz MCIMJIAIYYDSLE-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045368351 175363005 /nfs/dbraw/zinc/36/30/05/175363005.db2.gz MCIMJIAIYYDSLE-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)CC)[NH2+]C ZINC000045381272 175370300 /nfs/dbraw/zinc/37/03/00/175370300.db2.gz YWSMSTMAAWGFNK-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)CC)[NH2+]C ZINC000045381272 175370303 /nfs/dbraw/zinc/37/03/03/175370303.db2.gz YWSMSTMAAWGFNK-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)CC)[NH2+]C(C)C ZINC000045382912 175371508 /nfs/dbraw/zinc/37/15/08/175371508.db2.gz IQVTXXJJAMPTHI-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC)[NH2+]C(C)C ZINC000045382912 175371509 /nfs/dbraw/zinc/37/15/09/175371509.db2.gz IQVTXXJJAMPTHI-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386569 175372943 /nfs/dbraw/zinc/37/29/43/175372943.db2.gz OVHSUOQWVJPEDJ-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OC ZINC000045386569 175372945 /nfs/dbraw/zinc/37/29/45/175372945.db2.gz OVHSUOQWVJPEDJ-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045388175 175374084 /nfs/dbraw/zinc/37/40/84/175374084.db2.gz VSCMOPHIKIWMIG-HNNXBMFYSA-N 2 1 271.449 2.132 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045392122 175375646 /nfs/dbraw/zinc/37/56/46/175375646.db2.gz QGNUGIDVJANNTL-ZFWWWQNUSA-N 2 1 272.433 2.284 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C ZINC000045392122 175375647 /nfs/dbraw/zinc/37/56/47/175375647.db2.gz QGNUGIDVJANNTL-ZFWWWQNUSA-N 2 1 272.433 2.284 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419334 175377971 /nfs/dbraw/zinc/37/79/71/175377971.db2.gz RDYPBEHWWBFYTM-SQWLQELKSA-N 2 1 282.428 2.169 10 0 CEAEMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000665299432 415689325 /nfs/dbraw/zinc/68/93/25/415689325.db2.gz MYKOSKNMLPKCNO-NXEZZACHSA-N 2 1 273.302 2.188 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000071124746 176035450 /nfs/dbraw/zinc/03/54/50/176035450.db2.gz FLYTVIGXTXNBTF-GVDBMIGSSA-N 2 1 279.472 2.454 10 0 CEAEMP CC[C@H]1CCC[C@H]([N@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147384 176043687 /nfs/dbraw/zinc/04/36/87/176043687.db2.gz VPKLLSXEVTYIDO-HOTGVXAUSA-N 2 1 267.461 2.312 10 0 CEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148944 176044450 /nfs/dbraw/zinc/04/44/50/176044450.db2.gz KKMRDXFNGYJLRE-HUUCEWRRSA-N 2 1 267.461 2.038 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071148766 176044834 /nfs/dbraw/zinc/04/48/34/176044834.db2.gz IEGAYEBJMGNPKS-JKSUJKDBSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071162240 176046629 /nfs/dbraw/zinc/04/66/29/176046629.db2.gz RTFZFIGXCBZJJC-PMPSAXMXSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161472 176046644 /nfs/dbraw/zinc/04/66/44/176046644.db2.gz XFPSLLVWCQRCLS-BARDWOONSA-N 2 1 254.418 2.393 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161472 176046645 /nfs/dbraw/zinc/04/66/45/176046645.db2.gz XFPSLLVWCQRCLS-BARDWOONSA-N 2 1 254.418 2.393 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188048 176061595 /nfs/dbraw/zinc/06/15/95/176061595.db2.gz ZMLHFCYJBUIDGH-OUCADQQQSA-N 2 1 267.442 2.020 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187891 176061647 /nfs/dbraw/zinc/06/16/47/176061647.db2.gz RECVWYGWRZSUPG-YUELXQCFSA-N 2 1 281.469 2.410 10 0 CEAEMP CCC[C@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188219 176062598 /nfs/dbraw/zinc/06/25/98/176062598.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 2 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188219 176062599 /nfs/dbraw/zinc/06/25/99/176062599.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188219 176062600 /nfs/dbraw/zinc/06/26/00/176062600.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188219 176062601 /nfs/dbraw/zinc/06/26/01/176062601.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188219 176062602 /nfs/dbraw/zinc/06/26/02/176062602.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 3 1 281.488 2.414 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@](C)(C[NH3+])CCc1ccccc1 ZINC000071188546 176063106 /nfs/dbraw/zinc/06/31/06/176063106.db2.gz NMGIHTDXVHFXRP-QZTJIDSGSA-N 2 1 289.467 2.220 10 0 CEAEMP CCC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071189014 176064914 /nfs/dbraw/zinc/06/49/14/176064914.db2.gz PTXCCHVEHBEJFK-CABCVRRESA-N 2 1 269.477 2.284 10 0 CEAEMP C[N@@H+](CC[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191619 176069577 /nfs/dbraw/zinc/06/95/77/176069577.db2.gz MFUPNVDSMDFSRG-CJNGLKHVSA-N 2 1 280.387 2.133 10 0 CEAEMP C[NH+](CC[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191619 176069579 /nfs/dbraw/zinc/06/95/79/176069579.db2.gz MFUPNVDSMDFSRG-CJNGLKHVSA-N 2 1 280.387 2.133 10 0 CEAEMP C[NH+](CC[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191619 176069580 /nfs/dbraw/zinc/06/95/80/176069580.db2.gz MFUPNVDSMDFSRG-CJNGLKHVSA-N 2 1 280.387 2.133 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000071191637 176070493 /nfs/dbraw/zinc/07/04/93/176070493.db2.gz ZVRNNIQNDDXAAU-AWEZNQCLSA-N 2 1 290.455 2.358 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1nc(C[NH3+])cc2ccccc21 ZINC000071191772 176071828 /nfs/dbraw/zinc/07/18/28/176071828.db2.gz LNAXSYNNPOOZIY-ZDUSSCGKSA-N 2 1 284.407 2.081 10 0 CEAEMP Cc1ccsc1C[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192394 176073638 /nfs/dbraw/zinc/07/36/38/176073638.db2.gz VJPDEXMCQZPTRW-CQSZACIVSA-N 2 1 281.469 2.030 10 0 CEAEMP CC[NH2+][C@@H]1CCCN(CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071198125 176076699 /nfs/dbraw/zinc/07/66/99/176076699.db2.gz MXMNJKFZEPOKGB-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP Cc1ncsc1C[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000071213150 176084984 /nfs/dbraw/zinc/08/49/84/176084984.db2.gz ISLMXFZTFTVLJV-NSHDSACASA-N 2 1 251.399 2.025 10 0 CEAEMP Cc1ncsc1C[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000071213150 176084985 /nfs/dbraw/zinc/08/49/85/176084985.db2.gz ISLMXFZTFTVLJV-NSHDSACASA-N 2 1 251.399 2.025 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scnc1C ZINC000071213598 176085393 /nfs/dbraw/zinc/08/53/93/176085393.db2.gz URBKAMINQGATNK-YOGCLGLASA-N 2 1 251.399 2.166 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scnc1C ZINC000071213598 176085394 /nfs/dbraw/zinc/08/53/94/176085394.db2.gz URBKAMINQGATNK-YOGCLGLASA-N 2 1 251.399 2.166 10 0 CEAEMP CC[N@@H+](Cc1ccc(F)cc1C[NH3+])[C@@H](C)COC ZINC000071263531 176096788 /nfs/dbraw/zinc/09/67/88/176096788.db2.gz YEUNFPXOTJVILG-NSHDSACASA-N 2 1 254.349 2.141 10 0 CEAEMP C[NH2+]CCCCCC[NH+]1CCN(CC(C)C)CC1 ZINC000071289804 176110260 /nfs/dbraw/zinc/11/02/60/176110260.db2.gz HBHQKRYPAYJRSY-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000071293981 176111763 /nfs/dbraw/zinc/11/17/63/176111763.db2.gz NCDRBTYIVOWBBO-HNNXBMFYSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(CCn2cc[nH+]c2C)[C@H](C2CC2)C[NH2+]1 ZINC000071355314 176136698 /nfs/dbraw/zinc/13/66/98/176136698.db2.gz ZWHBQPWNOAUGRB-XYPHTWIQSA-N 2 1 290.455 2.290 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CCn2cc[nH+]c2C)[C@H](C2CC2)C[NH2+]1 ZINC000071355315 176137008 /nfs/dbraw/zinc/13/70/08/176137008.db2.gz ZWHBQPWNOAUGRB-XKQJLSEDSA-N 2 1 290.455 2.290 10 0 CEAEMP CC[NH+]1CCN(CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401634 176154050 /nfs/dbraw/zinc/15/40/50/176154050.db2.gz AZRMOUULKCFJST-MRXNPFEDSA-N 2 1 261.413 2.104 10 0 CEAEMP [NH3+][C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000071613651 176233148 /nfs/dbraw/zinc/23/31/48/176233148.db2.gz OLPLSJBZHSPNJI-IAGOWNOFSA-N 2 1 273.424 2.074 10 0 CEAEMP CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187682625 270255282 /nfs/dbraw/zinc/25/52/82/270255282.db2.gz CUKVBWHLPLCGGI-ZIAGYGMSSA-N 2 1 256.434 2.200 10 0 CEAEMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262029397 274397131 /nfs/dbraw/zinc/39/71/31/274397131.db2.gz XAFVLDDHMUZTSN-KFWWJZLASA-N 2 1 288.439 2.020 10 0 CEAEMP CC[NH+]1CCC(N2CCC[N@H+](C3CCC3)CC2)CC1 ZINC000335188454 279258672 /nfs/dbraw/zinc/25/86/72/279258672.db2.gz HSKJOSYYJSFOIS-UHFFFAOYSA-N 2 1 265.445 2.031 10 0 CEAEMP CCC[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1CC)[NH+](C)C ZINC000245522372 280247306 /nfs/dbraw/zinc/24/73/06/280247306.db2.gz UJRKSRLAVWTOGK-HUUCEWRRSA-N 2 1 283.460 2.097 10 0 CEAEMP Cc1cc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000328229826 280603588 /nfs/dbraw/zinc/60/35/88/280603588.db2.gz CZMAASCGJBGIOT-LSDHHAIUSA-N 2 1 268.364 2.025 10 0 CEAEMP [NH3+]C[C@H]1C[N@H+](CCC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000164993759 295276206 /nfs/dbraw/zinc/27/62/06/295276206.db2.gz VEJJYURWYMXTBR-KLZNEWFBSA-N 2 1 278.440 2.252 10 0 CEAEMP [NH3+]C[C@H]1C[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000164993759 295276207 /nfs/dbraw/zinc/27/62/07/295276207.db2.gz VEJJYURWYMXTBR-KLZNEWFBSA-N 2 1 278.440 2.252 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)[C@H]2CCSC2)CCOCC1 ZINC000052181492 519719790 /nfs/dbraw/zinc/71/97/90/519719790.db2.gz ANQAWVQYFVFCRK-AWEZNQCLSA-N 2 1 286.485 2.219 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507634 519723617 /nfs/dbraw/zinc/72/36/17/519723617.db2.gz TYVYZWKKNWFRKT-JYJNAYRXSA-N 2 1 284.444 2.033 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)C1CCOCC1 ZINC000052481149 519960304 /nfs/dbraw/zinc/96/03/04/519960304.db2.gz OSLBEBAIMONIDT-UHFFFAOYSA-N 2 1 266.385 2.390 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+](C)C2CCN(C)CC2)c(C)o1 ZINC000052419931 519988268 /nfs/dbraw/zinc/98/82/68/519988268.db2.gz WLCQMLZYOWENCM-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](C)C2CCN(C)CC2)c(C)o1 ZINC000052419931 519988274 /nfs/dbraw/zinc/98/82/74/519988274.db2.gz WLCQMLZYOWENCM-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000052453122 522127650 /nfs/dbraw/zinc/12/76/50/522127650.db2.gz ZIUYSSXMBMISMA-CQSZACIVSA-N 2 1 250.411 2.343 10 0 CEAEMP CCc1nc(N2CC[NH+](C)CC2)sc1C[NH2+]CC(C)C ZINC000054995381 522386256 /nfs/dbraw/zinc/38/62/56/522386256.db2.gz VALZQVPBOMFDJH-UHFFFAOYSA-N 2 1 296.484 2.203 10 0 CEAEMP CC(C)[NH2+]C[C@@H](c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000052424434 519723198 /nfs/dbraw/zinc/72/31/98/519723198.db2.gz WEKZYJLHAOCEJS-KRWDZBQOSA-N 2 1 275.440 2.363 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481016 519723945 /nfs/dbraw/zinc/72/39/45/519723945.db2.gz OBDYMDRDNCKDIG-JKSUJKDBSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382737 519727731 /nfs/dbraw/zinc/72/77/31/519727731.db2.gz IZGIBLDTKWTENK-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382737 519727732 /nfs/dbraw/zinc/72/77/32/519727732.db2.gz IZGIBLDTKWTENK-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+][C@@H](CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000062532833 519734157 /nfs/dbraw/zinc/73/41/57/519734157.db2.gz WAPPUBQYRQUKMR-HNNXBMFYSA-N 2 1 295.471 2.275 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647853 519739576 /nfs/dbraw/zinc/73/95/76/519739576.db2.gz TXRZKQPRQQIICA-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647853 519739578 /nfs/dbraw/zinc/73/95/78/519739578.db2.gz TXRZKQPRQQIICA-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCC[C@H]1CCCO ZINC000052763386 519742782 /nfs/dbraw/zinc/74/27/82/519742782.db2.gz JJEXTNUGBKRHDW-HNNXBMFYSA-N 2 1 270.461 2.495 10 0 CEAEMP CCCC1CC[NH+]([C@H](C)C[C@@](C)([NH2+]CC)C(N)=O)CC1 ZINC000068641794 519903299 /nfs/dbraw/zinc/90/32/99/519903299.db2.gz BGUGFVJGBPOTEM-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[N@H+]1CC ZINC000054601363 519910252 /nfs/dbraw/zinc/91/02/52/519910252.db2.gz IOXDXTWTDPQAON-HMQMGEFJSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479260 519925202 /nfs/dbraw/zinc/92/52/02/519925202.db2.gz LEFSDNUQMBMQDH-QEJZJMRPSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CCN(C)C)CC(C)C)O1 ZINC000052503393 519927499 /nfs/dbraw/zinc/92/74/99/519927499.db2.gz XPWMOROSVVDUIK-DLBZAZTESA-N 2 1 299.503 2.053 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](CN(CC[NH+](C)C)CC(C)C)O1 ZINC000052503393 519927506 /nfs/dbraw/zinc/92/75/06/519927506.db2.gz XPWMOROSVVDUIK-DLBZAZTESA-N 2 1 299.503 2.053 10 0 CEAEMP CCC[NH2+]Cc1cccc(CN2CCC[N@@H+](C)CC2)c1 ZINC000052424159 519954068 /nfs/dbraw/zinc/95/40/68/519954068.db2.gz JRDNGFBQFPJVDQ-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2CCCN(C)CC2)c1 ZINC000052424159 519954074 /nfs/dbraw/zinc/95/40/74/519954074.db2.gz JRDNGFBQFPJVDQ-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCCN(C)CC2)c1 ZINC000052424159 519954084 /nfs/dbraw/zinc/95/40/84/519954084.db2.gz JRDNGFBQFPJVDQ-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)Cc2ccncc2)O1 ZINC000052515073 519977305 /nfs/dbraw/zinc/97/73/05/519977305.db2.gz ZZASOWSJBWCSAO-CVEARBPZSA-N 2 1 277.412 2.061 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H](CC)C2)cc1 ZINC000052477314 519995742 /nfs/dbraw/zinc/99/57/42/519995742.db2.gz FHWSAPRDHDKVPV-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCO[C@H](CC)C2)cc1 ZINC000052477314 519995747 /nfs/dbraw/zinc/99/57/47/519995747.db2.gz FHWSAPRDHDKVPV-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@H]2CN(C)C)cc1 ZINC000061654572 519996197 /nfs/dbraw/zinc/99/61/97/519996197.db2.gz JMDJEKLYTOCZTI-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccc(CN2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061654572 519996204 /nfs/dbraw/zinc/99/62/04/519996204.db2.gz JMDJEKLYTOCZTI-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](CC)C2)c1 ZINC000052476984 520003011 /nfs/dbraw/zinc/00/30/11/520003011.db2.gz SXYQAXHIWJGLIG-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](CC)C2)c1 ZINC000052476984 520003018 /nfs/dbraw/zinc/00/30/18/520003018.db2.gz SXYQAXHIWJGLIG-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481910 520009455 /nfs/dbraw/zinc/00/94/55/520009455.db2.gz FWNPDBKXWUWQPZ-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000068645365 520140512 /nfs/dbraw/zinc/14/05/12/520140512.db2.gz ZBOYJLLGNLJYSA-ZBFHGGJFSA-N 2 1 295.471 2.275 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC000054560654 520219405 /nfs/dbraw/zinc/21/94/05/520219405.db2.gz TWVMCQIOBJVZPR-QXSJWSMHSA-N 2 1 270.461 2.349 10 0 CEAEMP CC1(C)CSC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)=[NH+]1 ZINC000049569541 520515328 /nfs/dbraw/zinc/51/53/28/520515328.db2.gz SGEOCNSSZXRWRC-GHMZBOCLSA-N 2 1 253.415 2.084 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C)cc2)C1 ZINC000052372286 520525861 /nfs/dbraw/zinc/52/58/61/520525861.db2.gz WCWACBDCUZLNCA-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CCCC[N@@H+](CCn1cc(C[NH2+]C2CC2)nn1)[C@H](C)CC ZINC000052372716 520541555 /nfs/dbraw/zinc/54/15/55/520541555.db2.gz SRORSFSVOBLNMQ-CQSZACIVSA-N 2 1 293.459 2.431 10 0 CEAEMP CC[N@@H+](CCn1cc(C[NH2+]CC(C)C)nn1)CC(C)C ZINC000052449741 521184605 /nfs/dbraw/zinc/18/46/05/521184605.db2.gz GUSUMHHYLBSIEY-UHFFFAOYSA-N 2 1 281.448 2.002 10 0 CEAEMP CC[NH+]1CCN(CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052422458 521679139 /nfs/dbraw/zinc/67/91/39/521679139.db2.gz JZPBBPNGCZCLQR-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000061654452 521841840 /nfs/dbraw/zinc/84/18/40/521841840.db2.gz GUEGWIPUEMKZAO-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH+](C)C[C@@H]1CCCN1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000061654452 521841849 /nfs/dbraw/zinc/84/18/49/521841849.db2.gz GUEGWIPUEMKZAO-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC)c1 ZINC000054628328 521957242 /nfs/dbraw/zinc/95/72/42/521957242.db2.gz HDFAAAQDFJHTKV-GOOCMWNKSA-N 2 1 260.381 2.410 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC)c1 ZINC000054628328 521957235 /nfs/dbraw/zinc/95/72/35/521957235.db2.gz HDFAAAQDFJHTKV-GOOCMWNKSA-N 2 1 260.381 2.410 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052182059 521971645 /nfs/dbraw/zinc/97/16/45/521971645.db2.gz VQQWGPKIZUBQNW-KRWDZBQOSA-N 2 1 288.435 2.492 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052511735 522595266 /nfs/dbraw/zinc/59/52/66/522595266.db2.gz CYLYETXIFZUJIK-NSHDSACASA-N 2 1 262.353 2.358 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570854 523352144 /nfs/dbraw/zinc/35/21/44/523352144.db2.gz OJCRSDWERWWEQV-CJNGLKHVSA-N 2 1 262.397 2.405 10 0 CEAEMP C[N@H+](Cc1ccncc1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052481024 523460719 /nfs/dbraw/zinc/46/07/19/523460719.db2.gz GUIBPBZTBGFEEC-HOTGVXAUSA-N 2 1 291.439 2.449 10 0 CEAEMP COCC[N@@H+](CCC[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545323 523694475 /nfs/dbraw/zinc/69/44/75/523694475.db2.gz ZBJGGDGMOAAGED-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP COCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(C)c1 ZINC000062738613 523952146 /nfs/dbraw/zinc/95/21/46/523952146.db2.gz RUWODOJRKDXHAH-UHFFFAOYSA-N 2 1 259.353 2.225 10 0 CEAEMP C[C@H]1CCC[C@H]([N@@H+](C)CCNCCC[NH+](C)C)C1 ZINC000053426691 524201407 /nfs/dbraw/zinc/20/14/07/524201407.db2.gz ZIGSNXCFPJAYAM-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP C[C@H]1CCC[C@](CNc2cc[nH+]c(N(C)C)n2)([NH+](C)C)C1 ZINC000068690098 524224862 /nfs/dbraw/zinc/22/48/62/524224862.db2.gz NIPPFBJYJXUENC-BBRMVZONSA-N 2 1 291.443 2.465 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000068629661 524336424 /nfs/dbraw/zinc/33/64/24/524336424.db2.gz JCWDEBODAJDHOH-VQHPVUNQSA-N 2 1 279.472 2.310 10 0 CEAEMP C[C@@H]1CCC[C@@](CN)([N@@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630045 524337474 /nfs/dbraw/zinc/33/74/74/524337474.db2.gz XTKVHMHPSHCBLD-INMHGKMJSA-N 2 1 281.488 2.414 10 0 CEAEMP C[C@@H]1C[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000055125530 525361562 /nfs/dbraw/zinc/36/15/62/525361562.db2.gz LAUJSJXQCQSMGE-QXSJWSMHSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553681 525595297 /nfs/dbraw/zinc/59/52/97/525595297.db2.gz UKKJRTPWPIPLEA-NWDGAFQWSA-N 2 1 291.395 2.008 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000050563659 525639052 /nfs/dbraw/zinc/63/90/52/525639052.db2.gz QZIOULQODFQSHH-QWHCGFSZSA-N 2 1 275.396 2.204 10 0 CEAEMP C[NH2+]Cc1cc(F)ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439985 536468988 /nfs/dbraw/zinc/46/89/88/536468988.db2.gz RGVKPLUMHLIHAB-OAHLLOKOSA-N 2 1 277.387 2.220 10 0 CEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccc(O)cc1 ZINC000054602345 527145223 /nfs/dbraw/zinc/14/52/23/527145223.db2.gz LOIARPZEQUCTJT-GOOCMWNKSA-N 2 1 260.381 2.279 10 0 CEAEMP [NH3+]C[C@H](C[N@@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000050514207 527224898 /nfs/dbraw/zinc/22/48/98/527224898.db2.gz MBZQRZGAQQUGQR-GOSISDBHSA-N 2 1 284.403 2.223 10 0 CEAEMP [NH3+]C[C@]1(N(Cc2cccs2)C2CC2)C[NH+]2CCC1CC2 ZINC000049023949 527243272 /nfs/dbraw/zinc/24/32/72/527243272.db2.gz GJVWSEWTYUWESJ-INIZCTEOSA-N 2 1 291.464 2.136 10 0 CEAEMP [NH3+]Cc1cc(C[N@@H+]2CCc3sccc3C2)ccn1 ZINC000068749532 527248082 /nfs/dbraw/zinc/24/80/82/527248082.db2.gz LZRXTBKWGGQEBR-UHFFFAOYSA-N 2 1 259.378 2.160 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CCc3sccc3C2)ccn1 ZINC000068749532 527248085 /nfs/dbraw/zinc/24/80/85/527248085.db2.gz LZRXTBKWGGQEBR-UHFFFAOYSA-N 2 1 259.378 2.160 10 0 CEAEMP [NH3+]Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000061702137 527262725 /nfs/dbraw/zinc/26/27/25/527262725.db2.gz VBKLMPPGRAPACZ-MRXNPFEDSA-N 2 1 283.375 2.194 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000068699012 527426839 /nfs/dbraw/zinc/42/68/39/527426839.db2.gz KYWZDBAHDGLSRJ-WMLDXEAASA-N 2 1 284.407 2.227 10 0 CEAEMP CC[NH+](CC)CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191784371 535509103 /nfs/dbraw/zinc/50/91/03/535509103.db2.gz ZCPBPHDYIQDHDR-UHFFFAOYSA-N 2 1 291.443 2.085 10 0 CEAEMP CC(C)[C@H]1O[C@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149757 574510653 /nfs/dbraw/zinc/51/06/53/574510653.db2.gz OSVDQWZTDITUQA-HIFRSBDPSA-N 2 1 254.418 2.469 10 0 CEAEMP C[C@@H]1CN(c2cc[nH+]cc2Br)CC[C@H]1[NH3+] ZINC000252829357 625116321 /nfs/dbraw/zinc/11/63/21/625116321.db2.gz KFIQVFMRROOOFR-PSASIEDQSA-N 2 1 270.174 2.018 10 0 CEAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000399170127 628782077 /nfs/dbraw/zinc/78/20/77/628782077.db2.gz IEEKUFATSGZNCG-ZDUSSCGKSA-N 2 1 254.418 2.002 10 0 CEAEMP C[N@H+](Cc1cccc(Cl)n1)[C@H]1CCC[NH2+]CC1 ZINC000231670591 639872232 /nfs/dbraw/zinc/87/22/32/639872232.db2.gz UNCSTWPHXCZZOM-LBPRGKRZSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1cccc(Cl)n1)[C@H]1CCC[NH2+]CC1 ZINC000231670591 639872237 /nfs/dbraw/zinc/87/22/37/639872237.db2.gz UNCSTWPHXCZZOM-LBPRGKRZSA-N 2 1 253.777 2.309 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000134510195 344374891 /nfs/dbraw/zinc/37/48/91/344374891.db2.gz GHKWUKSBHJIHLR-ZDUSSCGKSA-N 2 1 271.364 2.367 10 0 CEAEMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000134510195 344374892 /nfs/dbraw/zinc/37/48/92/344374892.db2.gz GHKWUKSBHJIHLR-ZDUSSCGKSA-N 2 1 271.364 2.367 10 0 CEAEMP C[N@@H+](CCCNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000136199854 344384031 /nfs/dbraw/zinc/38/40/31/344384031.db2.gz VSQWPUBXFMFZKO-QGZVFWFLSA-N 2 1 295.471 2.289 10 0 CEAEMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262301017 344654485 /nfs/dbraw/zinc/65/44/85/344654485.db2.gz QGHBDINKMQPYME-OWCLPIDISA-N 2 1 295.471 2.275 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000311659154 344735410 /nfs/dbraw/zinc/73/54/10/344735410.db2.gz NOPHYFBESMBDDB-XEGUGMAKSA-N 2 1 264.344 2.003 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000311659154 344735411 /nfs/dbraw/zinc/73/54/11/344735411.db2.gz NOPHYFBESMBDDB-XEGUGMAKSA-N 2 1 264.344 2.003 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]12 ZINC000312737338 344739868 /nfs/dbraw/zinc/73/98/68/344739868.db2.gz UOVFXAOYHPSRCN-GMXVVIOVSA-N 2 1 294.782 2.238 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]12 ZINC000312737338 344739870 /nfs/dbraw/zinc/73/98/70/344739870.db2.gz UOVFXAOYHPSRCN-GMXVVIOVSA-N 2 1 294.782 2.238 10 0 CEAEMP Cc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC000328656153 344757756 /nfs/dbraw/zinc/75/77/56/344757756.db2.gz ZBBOMHWKVATIPP-AWEZNQCLSA-N 2 1 270.380 2.281 10 0 CEAEMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC000328656153 344757759 /nfs/dbraw/zinc/75/77/59/344757759.db2.gz ZBBOMHWKVATIPP-AWEZNQCLSA-N 2 1 270.380 2.281 10 0 CEAEMP C[N@@H+](CCCC[C@@](C)(O)C[NH3+])CC1CCCCC1 ZINC000085301635 179010630 /nfs/dbraw/zinc/01/06/30/179010630.db2.gz GHWMVTPCWJCWET-OAHLLOKOSA-N 2 1 256.434 2.379 10 0 CEAEMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085304272 179011607 /nfs/dbraw/zinc/01/16/07/179011607.db2.gz IKJCMQZWIZKTMS-LZWOXQAQSA-N 2 1 262.397 2.096 10 0 CEAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085304272 179011609 /nfs/dbraw/zinc/01/16/09/179011609.db2.gz IKJCMQZWIZKTMS-LZWOXQAQSA-N 2 1 262.397 2.096 10 0 CEAEMP CCN(CC)C(=O)C[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403782 179053159 /nfs/dbraw/zinc/05/31/59/179053159.db2.gz NGIAWIMERUGUIH-INIZCTEOSA-N 2 1 295.471 2.099 10 0 CEAEMP C1C[C@@H]([N@H+]2CCCCC[C@@H]2C2CC[NH2+]CC2)CO1 ZINC000085403569 179053344 /nfs/dbraw/zinc/05/33/44/179053344.db2.gz ZWPBYRQVDIDYGL-HUUCEWRRSA-N 2 1 252.402 2.020 10 0 CEAEMP CC(C)CNC(=O)C[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403531 179053423 /nfs/dbraw/zinc/05/34/23/179053423.db2.gz VEXWDXAEKDEPIE-INIZCTEOSA-N 2 1 295.471 2.003 10 0 CEAEMP CC[C@@H]1C[NH2+]C(CC)(CC)CN1CCn1cc[nH+]c1C ZINC000085517301 179087549 /nfs/dbraw/zinc/08/75/49/179087549.db2.gz YZVFKGHREXHDTN-OAHLLOKOSA-N 2 1 278.444 2.434 10 0 CEAEMP CC(C)(C)c1nc2c(n1[C@@H]1CC[N@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573012 179098718 /nfs/dbraw/zinc/09/87/18/179098718.db2.gz HMGOEFMEGLYBMH-CYBMUJFWSA-N 2 1 288.439 2.236 10 0 CEAEMP C[N@H+]1CC[C@H](n2c3c(nc2-c2ccccc2)C[NH2+]CC3)C1 ZINC000085607109 179101708 /nfs/dbraw/zinc/10/17/08/179101708.db2.gz FVSAYOFXVOULEV-AWEZNQCLSA-N 2 1 282.391 2.072 10 0 CEAEMP COCCC[N@H+]1C[C@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618759 179103856 /nfs/dbraw/zinc/10/38/56/179103856.db2.gz VPPGOTOLGVRJHN-RDJZCZTQSA-N 2 1 276.424 2.318 10 0 CEAEMP CCn1cc(C[N@@H+]2CC3(CCCC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623301 179105122 /nfs/dbraw/zinc/10/51/22/179105122.db2.gz YPOQVJXQNYPBMI-AWEZNQCLSA-N 2 1 276.428 2.400 10 0 CEAEMP CCn1cc(C[N@H+]2CC3(CCCC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623301 179105126 /nfs/dbraw/zinc/10/51/26/179105126.db2.gz YPOQVJXQNYPBMI-AWEZNQCLSA-N 2 1 276.428 2.400 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623237 179105277 /nfs/dbraw/zinc/10/52/77/179105277.db2.gz CWACPWVOOMSQJW-KGLIPLIRSA-N 2 1 252.402 2.162 10 0 CEAEMP COCCOCC[N@H+]1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085621082 179105484 /nfs/dbraw/zinc/10/54/84/179105484.db2.gz YBOMFIRHFHUUBL-HNNXBMFYSA-N 2 1 284.444 2.036 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085621150 179105650 /nfs/dbraw/zinc/10/56/50/179105650.db2.gz LTNPMOWCLMKRGI-GJZGRUSLSA-N 2 1 266.429 2.410 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085986001 179211722 /nfs/dbraw/zinc/21/17/22/179211722.db2.gz PJJHFVZIKHLDTE-ZNMIVQPWSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146570 179239092 /nfs/dbraw/zinc/23/90/92/179239092.db2.gz PDSJBLLTBCWNEN-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145695 179239157 /nfs/dbraw/zinc/23/91/57/179239157.db2.gz OJXWZAMVKQJFNF-GDBMZVCRSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145695 179239158 /nfs/dbraw/zinc/23/91/58/179239158.db2.gz OJXWZAMVKQJFNF-GDBMZVCRSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259592 179258042 /nfs/dbraw/zinc/25/80/42/179258042.db2.gz RPFHVPVYSOYITE-KZNAEPCWSA-N 2 1 291.483 2.322 10 0 CEAEMP CCC1(CC)CN(C[C@@H]2CCCC[N@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086259344 179258568 /nfs/dbraw/zinc/25/85/68/179258568.db2.gz STQLFHORAOGPCK-GJZGRUSLSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261055 179259730 /nfs/dbraw/zinc/25/97/30/179259730.db2.gz WLZSXEMPGKEGBB-HUUCEWRRSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261055 179259732 /nfs/dbraw/zinc/25/97/32/179259732.db2.gz WLZSXEMPGKEGBB-HUUCEWRRSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260780 179260210 /nfs/dbraw/zinc/26/02/10/179260210.db2.gz UARYKCVBDKFTEL-CABCVRRESA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288723 179264288 /nfs/dbraw/zinc/26/42/88/179264288.db2.gz WWYDFTDHHZBWCU-ZBFHGGJFSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288723 179264291 /nfs/dbraw/zinc/26/42/91/179264291.db2.gz WWYDFTDHHZBWCU-ZBFHGGJFSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288726 179264472 /nfs/dbraw/zinc/26/44/72/179264472.db2.gz WWYDFTDHHZBWCU-GOEBONIOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288726 179264475 /nfs/dbraw/zinc/26/44/75/179264475.db2.gz WWYDFTDHHZBWCU-GOEBONIOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288658 179264532 /nfs/dbraw/zinc/26/45/32/179264532.db2.gz XNSAPQJDHSVOEJ-MRXNPFEDSA-N 2 1 279.472 2.326 10 0 CEAEMP C([C@@H]1CCCOC1)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292428 179266285 /nfs/dbraw/zinc/26/62/85/179266285.db2.gz KUVRICFOQKQOLR-HNNXBMFYSA-N 2 1 266.429 2.411 10 0 CEAEMP C([C@H]1CCCOC1)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292431 179266484 /nfs/dbraw/zinc/26/64/84/179266484.db2.gz KUVRICFOQKQOLR-OAHLLOKOSA-N 2 1 266.429 2.411 10 0 CEAEMP CC[C@]1(C)C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293864 179267517 /nfs/dbraw/zinc/26/75/17/179267517.db2.gz KDSPCHPTXDINSK-DOTOQJQBSA-N 2 1 274.408 2.454 10 0 CEAEMP CCC[C@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296841 179267780 /nfs/dbraw/zinc/26/77/80/179267780.db2.gz KBCGYRPYFWGGFS-LBPRGKRZSA-N 2 1 253.415 2.150 10 0 CEAEMP CCC[C@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296841 179267781 /nfs/dbraw/zinc/26/77/81/179267781.db2.gz KBCGYRPYFWGGFS-LBPRGKRZSA-N 2 1 253.415 2.150 10 0 CEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@H]1Cc2ccccc21 ZINC000086488856 179302333 /nfs/dbraw/zinc/30/23/33/179302333.db2.gz NLRXLFQZRVKHAM-LSDHHAIUSA-N 2 1 253.349 2.134 10 0 CEAEMP CCCC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818530 179347281 /nfs/dbraw/zinc/34/72/81/179347281.db2.gz GWQPRJXJYSWGOE-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818530 179347283 /nfs/dbraw/zinc/34/72/83/179347283.db2.gz GWQPRJXJYSWGOE-HNNXBMFYSA-N 3 1 267.461 2.325 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818530 179347285 /nfs/dbraw/zinc/34/72/85/179347285.db2.gz GWQPRJXJYSWGOE-HNNXBMFYSA-N 3 1 267.461 2.325 10 0 CEAEMP CN(Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819353 179348348 /nfs/dbraw/zinc/34/83/48/179348348.db2.gz SENABHYWPJHOIS-INIZCTEOSA-N 2 1 279.403 2.071 10 0 CEAEMP CN(c1ccc(F)cc1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819507 179348406 /nfs/dbraw/zinc/34/84/06/179348406.db2.gz WRKMBWMWKZNENZ-HNNXBMFYSA-N 2 1 265.376 2.075 10 0 CEAEMP CN(Cc1ccccc1F)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819350 179348882 /nfs/dbraw/zinc/34/88/82/179348882.db2.gz DMJQZJWPQOGLBW-MRXNPFEDSA-N 2 1 279.403 2.071 10 0 CEAEMP C[N@H+]1CCC[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000086817248 179344557 /nfs/dbraw/zinc/34/45/57/179344557.db2.gz XIIMMWXYRPHOFP-CVEARBPZSA-N 2 1 291.439 2.490 10 0 CEAEMP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817248 179344559 /nfs/dbraw/zinc/34/45/59/179344559.db2.gz XIIMMWXYRPHOFP-CVEARBPZSA-N 2 1 291.439 2.490 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817248 179344561 /nfs/dbraw/zinc/34/45/61/179344561.db2.gz XIIMMWXYRPHOFP-CVEARBPZSA-N 2 1 291.439 2.490 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000086847002 179356345 /nfs/dbraw/zinc/35/63/45/179356345.db2.gz MRSBNQCAWKEZDL-OAHLLOKOSA-N 2 1 281.469 2.383 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848256 179356369 /nfs/dbraw/zinc/35/63/69/179356369.db2.gz BJYFLOCROUVZDN-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836306 179350869 /nfs/dbraw/zinc/35/08/69/179350869.db2.gz ZYJWVCHGOIBTBY-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836306 179350873 /nfs/dbraw/zinc/35/08/73/179350873.db2.gz ZYJWVCHGOIBTBY-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836306 179350876 /nfs/dbraw/zinc/35/08/76/179350876.db2.gz ZYJWVCHGOIBTBY-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836414 179351573 /nfs/dbraw/zinc/35/15/73/179351573.db2.gz BBNQIZGNAOXQRT-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836414 179351574 /nfs/dbraw/zinc/35/15/74/179351574.db2.gz BBNQIZGNAOXQRT-MRXNPFEDSA-N 3 1 267.461 2.326 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836414 179351575 /nfs/dbraw/zinc/35/15/75/179351575.db2.gz BBNQIZGNAOXQRT-MRXNPFEDSA-N 3 1 267.461 2.326 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836985 179352142 /nfs/dbraw/zinc/35/21/42/179352142.db2.gz AEXAANOFRNLABO-ZNMIVQPWSA-N 2 1 254.418 2.406 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842135 179353010 /nfs/dbraw/zinc/35/30/10/179353010.db2.gz QWLVRVITSXBJJS-LSDHHAIUSA-N 2 1 254.418 2.267 10 0 CEAEMP CCCCN(C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846544 179354755 /nfs/dbraw/zinc/35/47/55/179354755.db2.gz MUUUCSUONHEKTR-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844671 179355144 /nfs/dbraw/zinc/35/51/44/179355144.db2.gz CZQZABAICAIRQD-CQSZACIVSA-N 2 1 263.385 2.054 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844671 179355146 /nfs/dbraw/zinc/35/51/46/179355146.db2.gz CZQZABAICAIRQD-CQSZACIVSA-N 2 1 263.385 2.054 10 0 CEAEMP CCCCN(CC)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846570 179355484 /nfs/dbraw/zinc/35/54/84/179355484.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCSC[C@@H]2C)CC1 ZINC000086848878 179357958 /nfs/dbraw/zinc/35/79/58/179357958.db2.gz HGEVJEKOTMAPIQ-LSDHHAIUSA-N 2 1 285.501 2.017 10 0 CEAEMP CC[C@H](C)SC[C@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000087135885 179396775 /nfs/dbraw/zinc/39/67/75/179396775.db2.gz SNGNJQYZMHSWKZ-JQWIXIFHSA-N 2 1 253.415 2.326 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc3nnccc32)CC1 ZINC000616600450 348530079 /nfs/dbraw/zinc/53/00/79/348530079.db2.gz JMXXLCKGGSWISC-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@H](c2cccc3nnccc32)CC1 ZINC000616600450 348530082 /nfs/dbraw/zinc/53/00/82/348530082.db2.gz JMXXLCKGGSWISC-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000089112105 179706648 /nfs/dbraw/zinc/70/66/48/179706648.db2.gz QNOYAODTQGYKRI-GDBMZVCRSA-N 2 1 289.423 2.301 10 0 CEAEMP Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000089112105 179706650 /nfs/dbraw/zinc/70/66/50/179706650.db2.gz QNOYAODTQGYKRI-GDBMZVCRSA-N 2 1 289.423 2.301 10 0 CEAEMP CCc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)n(CC)n1 ZINC000089183954 179746154 /nfs/dbraw/zinc/74/61/54/179746154.db2.gz PTFLMQLMIIOXEL-CQSZACIVSA-N 2 1 278.444 2.287 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1cncn1C(C)C ZINC000090209049 179934723 /nfs/dbraw/zinc/93/47/23/179934723.db2.gz PEZDKWALMGFAHO-ZFWWWQNUSA-N 2 1 264.417 2.455 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1cncn1C(C)C ZINC000090209049 179934725 /nfs/dbraw/zinc/93/47/25/179934725.db2.gz PEZDKWALMGFAHO-ZFWWWQNUSA-N 2 1 264.417 2.455 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1OC ZINC000090566338 180005355 /nfs/dbraw/zinc/00/53/55/180005355.db2.gz TXKITIUIIAFRRV-HZPDHXFCSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1OC ZINC000090566338 180005356 /nfs/dbraw/zinc/00/53/56/180005356.db2.gz TXKITIUIIAFRRV-HZPDHXFCSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCc2sccc2C1 ZINC000090565983 180005380 /nfs/dbraw/zinc/00/53/80/180005380.db2.gz KNNRRQPQPIUVFN-ZIAGYGMSSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCc2sccc2C1 ZINC000090565983 180005381 /nfs/dbraw/zinc/00/53/81/180005381.db2.gz KNNRRQPQPIUVFN-ZIAGYGMSSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](CC)C1CCCC1 ZINC000090566152 180005886 /nfs/dbraw/zinc/00/58/86/180005886.db2.gz KIWBCBZZCJCCLS-UKRRQHHQSA-N 2 1 254.418 2.266 10 0 CEAEMP FC(F)(F)COCC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693915 180026347 /nfs/dbraw/zinc/02/63/47/180026347.db2.gz IHABLOLOGDLERA-NEPJUHHUSA-N 2 1 280.334 2.029 10 0 CEAEMP FC(F)(F)COCC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693915 180026348 /nfs/dbraw/zinc/02/63/48/180026348.db2.gz IHABLOLOGDLERA-NEPJUHHUSA-N 2 1 280.334 2.029 10 0 CEAEMP CCC(CC)[N@H+](CC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000090877562 180051875 /nfs/dbraw/zinc/05/18/75/180051875.db2.gz OBJQHBFSIWODJM-HNNXBMFYSA-N 2 1 262.397 2.439 10 0 CEAEMP CCC(CC)[N@@H+](CC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000090877562 180051878 /nfs/dbraw/zinc/05/18/78/180051878.db2.gz OBJQHBFSIWODJM-HNNXBMFYSA-N 2 1 262.397 2.439 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@@H+](CC[NH3+])CC(C)C)O2 ZINC000090898944 180058213 /nfs/dbraw/zinc/05/82/13/180058213.db2.gz VGUNGZLNITZOEW-HNNXBMFYSA-N 2 1 262.397 2.215 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@H+](CC[NH3+])CC(C)C)O2 ZINC000090898944 180058215 /nfs/dbraw/zinc/05/82/15/180058215.db2.gz VGUNGZLNITZOEW-HNNXBMFYSA-N 2 1 262.397 2.215 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+]1C[C@@H]3C[NH2+]C[C@@H]3C1(C)C)O2 ZINC000090900397 180059159 /nfs/dbraw/zinc/05/91/59/180059159.db2.gz ZFODSPVLCKPHTC-XHSDSOJGSA-N 2 1 286.419 2.228 10 0 CEAEMP C[N@@H+](C[C@H]1Cc2cc(Cl)ccc2O1)C1CC[NH2+]CC1 ZINC000090900030 180059201 /nfs/dbraw/zinc/05/92/01/180059201.db2.gz ZWAQKMBLJQTUOL-CQSZACIVSA-N 2 1 280.799 2.327 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903686 180059760 /nfs/dbraw/zinc/05/97/60/180059760.db2.gz NRIHCBQEPNRKOO-FZMZJTMJSA-N 2 1 280.799 2.185 10 0 CEAEMP c1cc(C[NH2+]C2CC2)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907963 180061935 /nfs/dbraw/zinc/06/19/35/180061935.db2.gz YLQKPSGHCRKQAA-CALCHBBNSA-N 2 1 272.392 2.302 10 0 CEAEMP c1cc(C[NH2+]C2CC2)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907963 180061936 /nfs/dbraw/zinc/06/19/36/180061936.db2.gz YLQKPSGHCRKQAA-CALCHBBNSA-N 2 1 272.392 2.302 10 0 CEAEMP C[NH2+]Cc1cn(Cc2c[nH+]cn2C)c2ccccc12 ZINC000090995350 180082963 /nfs/dbraw/zinc/08/29/63/180082963.db2.gz XKSDXZBXYZQQDB-UHFFFAOYSA-N 2 1 254.337 2.143 10 0 CEAEMP CC[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1C(F)(F)F ZINC000091337077 180136681 /nfs/dbraw/zinc/13/66/81/180136681.db2.gz DGVSAUKZLGUKII-UHFFFAOYSA-N 2 1 270.258 2.396 10 0 CEAEMP C[N@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccc(F)cc1 ZINC000091292059 180123819 /nfs/dbraw/zinc/12/38/19/180123819.db2.gz IDQHXZFJSHRTST-CQSZACIVSA-N 2 1 268.401 2.353 10 0 CEAEMP C[N@@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccc(F)cc1 ZINC000091292059 180123820 /nfs/dbraw/zinc/12/38/20/180123820.db2.gz IDQHXZFJSHRTST-CQSZACIVSA-N 2 1 268.401 2.353 10 0 CEAEMP C[N@H+]1CCC[C@H]1CCOc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091434604 180154417 /nfs/dbraw/zinc/15/44/17/180154417.db2.gz HVONQZNHHDEMDA-AWEZNQCLSA-N 2 1 292.427 2.228 10 0 CEAEMP CSC1(C[NH3+])CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000091473307 180165533 /nfs/dbraw/zinc/16/55/33/180165533.db2.gz AORFGPSDMRGUDZ-UHFFFAOYSA-N 2 1 282.457 2.120 10 0 CEAEMP CCOc1ccccc1OCC[N@@H+](C)CC1CC([NH3+])C1 ZINC000091477173 180165991 /nfs/dbraw/zinc/16/59/91/180165991.db2.gz UEMHEUYTCPAJSP-UHFFFAOYSA-N 2 1 278.396 2.133 10 0 CEAEMP COc1cc2c(cc1OC)C[N@H+](CC(C)(C)[C@@H](C)[NH3+])CC2 ZINC000091402560 180146982 /nfs/dbraw/zinc/14/69/82/180146982.db2.gz SYDYMNMFFNAXFZ-GFCCVEGCSA-N 2 1 292.423 2.435 10 0 CEAEMP COc1cc2c(cc1OC)C[N@@H+](CC(C)(C)[C@@H](C)[NH3+])CC2 ZINC000091402560 180146984 /nfs/dbraw/zinc/14/69/84/180146984.db2.gz SYDYMNMFFNAXFZ-GFCCVEGCSA-N 2 1 292.423 2.435 10 0 CEAEMP C[C@H]([NH3+])C(C)(C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000091404833 180147107 /nfs/dbraw/zinc/14/71/07/180147107.db2.gz FHGXBEYGCRJTQI-AWEZNQCLSA-N 2 1 267.461 2.168 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)CC1CC(O)C1 ZINC000091405566 180147134 /nfs/dbraw/zinc/14/71/34/180147134.db2.gz HNNPGDFRHLAWII-HSBZDZAISA-N 2 1 256.434 2.103 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000091405122 180147279 /nfs/dbraw/zinc/14/72/79/180147279.db2.gz XRYFYIPTMIHTTM-AWEZNQCLSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@@](C)(CC)[NH+](C)C ZINC000091571647 180196682 /nfs/dbraw/zinc/19/66/82/180196682.db2.gz GBTNFQMHXPOMRV-DZGCQCFKSA-N 2 1 281.448 2.110 10 0 CEAEMP CC[C@](C)([C@@H](Cc1ccccn1)[NH2+]C)[NH+]1CCCC1 ZINC000091606059 180203794 /nfs/dbraw/zinc/20/37/94/180203794.db2.gz LXNADALMEJNUMT-HZPDHXFCSA-N 2 1 261.413 2.477 10 0 CEAEMP CCn1cc(C[C@H]([NH3+])[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605038 180203803 /nfs/dbraw/zinc/20/38/03/180203803.db2.gz CZDYLQNQVZCHMR-LSDHHAIUSA-N 2 1 264.417 2.037 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1cnn(C)c1 ZINC000091716888 180232567 /nfs/dbraw/zinc/23/25/67/180232567.db2.gz STVHDWQAYJOPIC-AWEZNQCLSA-N 2 1 252.406 2.193 10 0 CEAEMP Cc1cc(C)cc([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720186 180236909 /nfs/dbraw/zinc/23/69/09/180236909.db2.gz UQWNEAHPXDJJHZ-PMPSAXMXSA-N 2 1 260.381 2.166 10 0 CEAEMP CC[N@@H+](Cc1nc(C(C)C)no1)C1CCC([NH3+])CC1 ZINC000091851122 180272363 /nfs/dbraw/zinc/27/23/63/180272363.db2.gz MJQHPYBHIHGCGM-UHFFFAOYSA-N 2 1 266.389 2.285 10 0 CEAEMP CCC[N@@H+]([C@H](C)C(=O)NCC(C)C)C1CCC([NH3+])CC1 ZINC000091852558 180272753 /nfs/dbraw/zinc/27/27/53/180272753.db2.gz UVQLUFLWVIFCPO-WLYUNCDWSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[N@@H+](CC(=O)NC(C)(C)CC)C1CCC([NH3+])CC1 ZINC000091852246 180272931 /nfs/dbraw/zinc/27/29/31/180272931.db2.gz VCVRFBZUHDQRGU-UHFFFAOYSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[N@@H+](Cc1ccccc1C(N)=O)C1CCC([NH3+])CC1 ZINC000091852304 180273236 /nfs/dbraw/zinc/27/32/36/180273236.db2.gz MQDWSDVMQUJDPH-UHFFFAOYSA-N 2 1 289.423 2.267 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844736 180268720 /nfs/dbraw/zinc/26/87/20/180268720.db2.gz AZFZOBIWVJZFMQ-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+]1CCC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844736 180268723 /nfs/dbraw/zinc/26/87/23/180268723.db2.gz AZFZOBIWVJZFMQ-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+]1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844736 180268726 /nfs/dbraw/zinc/26/87/26/180268726.db2.gz AZFZOBIWVJZFMQ-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CCCN1CCC([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844535 180268893 /nfs/dbraw/zinc/26/88/93/180268893.db2.gz PXSWLYCBOPNCSU-UHFFFAOYSA-N 2 1 253.434 2.063 10 0 CEAEMP CCC[NH+]1CCC([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844535 180268896 /nfs/dbraw/zinc/26/88/96/180268896.db2.gz PXSWLYCBOPNCSU-UHFFFAOYSA-N 3 1 253.434 2.063 10 0 CEAEMP CCC[NH+]1CCC([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844535 180268899 /nfs/dbraw/zinc/26/88/99/180268899.db2.gz PXSWLYCBOPNCSU-UHFFFAOYSA-N 3 1 253.434 2.063 10 0 CEAEMP Cn1nc(C[N@@H+](C)C2CCC([NH3+])CC2)c2ccccc21 ZINC000091847845 180271331 /nfs/dbraw/zinc/27/13/31/180271331.db2.gz DSHBPZXKQOMBKJ-UHFFFAOYSA-N 2 1 272.396 2.275 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000091872727 180277917 /nfs/dbraw/zinc/27/79/17/180277917.db2.gz GZZVLFDAGJFNOY-PCKAHOCUSA-N 3 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091872727 180277918 /nfs/dbraw/zinc/27/79/18/180277918.db2.gz GZZVLFDAGJFNOY-PCKAHOCUSA-N 3 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000091872727 180277919 /nfs/dbraw/zinc/27/79/19/180277919.db2.gz GZZVLFDAGJFNOY-PCKAHOCUSA-N 3 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([N@H+](C)CC[C@@H]2CCCCN2C)CC1 ZINC000091872727 180277921 /nfs/dbraw/zinc/27/79/21/180277921.db2.gz GZZVLFDAGJFNOY-PCKAHOCUSA-N 2 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC[C@@H]2CCCCN2C)CC1 ZINC000091872727 180277922 /nfs/dbraw/zinc/27/79/22/180277922.db2.gz GZZVLFDAGJFNOY-PCKAHOCUSA-N 2 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC000091873258 180278055 /nfs/dbraw/zinc/27/80/55/180278055.db2.gz IYRQFDIQMPRYLK-UHFFFAOYSA-N 2 1 290.407 2.436 10 0 CEAEMP CC1CCC(C[NH3+])(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000092003097 180304662 /nfs/dbraw/zinc/30/46/62/180304662.db2.gz MOWNZQDCPZEKDJ-GMRIPVOYSA-N 2 1 279.472 2.310 10 0 CEAEMP CC1CCC(C[NH3+])(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000092003097 180304663 /nfs/dbraw/zinc/30/46/63/180304663.db2.gz MOWNZQDCPZEKDJ-GMRIPVOYSA-N 2 1 279.472 2.310 10 0 CEAEMP CC1CCC(C[NH3+])(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000092003097 180304664 /nfs/dbraw/zinc/30/46/64/180304664.db2.gz MOWNZQDCPZEKDJ-GMRIPVOYSA-N 2 1 279.472 2.310 10 0 CEAEMP CC(C)[NH2+][C@](C)(CO)CCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090257 180322184 /nfs/dbraw/zinc/32/21/84/180322184.db2.gz DHUWWXRVXHVPKI-ZNMIVQPWSA-N 2 1 256.434 2.103 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3ccccc3S2)C1 ZINC000092242702 180351699 /nfs/dbraw/zinc/35/16/99/180351699.db2.gz UILYTKXQPMISLR-JSGCOSHPSA-N 2 1 262.422 2.245 10 0 CEAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000092262362 180355239 /nfs/dbraw/zinc/35/52/39/180355239.db2.gz BXMQOEUESJAIJA-LBPRGKRZSA-N 2 1 263.410 2.427 10 0 CEAEMP C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3S2)CCC[NH2+]1 ZINC000092273072 180356299 /nfs/dbraw/zinc/35/62/99/180356299.db2.gz MJNMQTLIMPFZTE-OCCSQVGLSA-N 2 1 262.422 2.387 10 0 CEAEMP C[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3S2)CCC[NH2+]1 ZINC000092273072 180356301 /nfs/dbraw/zinc/35/63/01/180356301.db2.gz MJNMQTLIMPFZTE-OCCSQVGLSA-N 2 1 262.422 2.387 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1ccnc2ccccc12 ZINC000092347589 180367442 /nfs/dbraw/zinc/36/74/42/180367442.db2.gz HPZBSAZIVBCQSW-UHFFFAOYSA-N 2 1 273.380 2.032 10 0 CEAEMP CCNc1cc[nH+]c(CN2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000092419107 180382358 /nfs/dbraw/zinc/38/23/58/180382358.db2.gz LCLLWUGSXPBKDW-MRXNPFEDSA-N 2 1 274.412 2.184 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)C[C@@H]1C ZINC000107899656 186196406 /nfs/dbraw/zinc/19/64/06/186196406.db2.gz JPNNFTFBRMCFSI-WFASDCNBSA-N 2 1 281.831 2.366 10 0 CEAEMP CC[C@H](C)[NH+]1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000108129331 186205931 /nfs/dbraw/zinc/20/59/31/186205931.db2.gz DIWZJMZXBBYEME-ZDUSSCGKSA-N 2 1 260.385 2.449 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCCOC1 ZINC000109550398 186262085 /nfs/dbraw/zinc/26/20/85/186262085.db2.gz WUGWHYFXMANUQA-JALIKCBVSA-N 2 1 252.402 2.160 10 0 CEAEMP CCOC(=O)C1CC[NH+](Cc2ccc(C[NH3+])cc2F)CC1 ZINC000109603609 186266842 /nfs/dbraw/zinc/26/68/42/186266842.db2.gz WAVBTCKYNFHWNF-UHFFFAOYSA-N 2 1 294.370 2.060 10 0 CEAEMP CC[N@H+]1CCC[C@H](n2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629819 186307977 /nfs/dbraw/zinc/30/79/77/186307977.db2.gz LLWDSRUPHCKGHG-JTQLQIEISA-N 2 1 292.358 2.423 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705353 186314372 /nfs/dbraw/zinc/31/43/72/186314372.db2.gz UJLDCNCYDYXQKQ-UKRRQHHQSA-N 2 1 279.428 2.392 10 0 CEAEMP CC[N@H+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110714772 186316057 /nfs/dbraw/zinc/31/60/57/186316057.db2.gz WMIQHYRPPWGGRK-QGTPRVQTSA-N 2 1 287.451 2.288 10 0 CEAEMP Cc1ccccc1[C@@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716379 186316193 /nfs/dbraw/zinc/31/61/93/186316193.db2.gz BOVAXKFFGRXFIL-HNNXBMFYSA-N 2 1 261.413 2.021 10 0 CEAEMP CC[C@@H]1CN(CC(C)(C)C[NH2+]C(C)C)CC[N@H+]1C ZINC000110746624 186319557 /nfs/dbraw/zinc/31/95/57/186319557.db2.gz NHIPKCVYWSBELY-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000110751639 186320626 /nfs/dbraw/zinc/32/06/26/186320626.db2.gz BCHGCNJXLHYCCN-ZDUSSCGKSA-N 2 1 287.407 2.288 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000110751639 186320627 /nfs/dbraw/zinc/32/06/27/186320627.db2.gz BCHGCNJXLHYCCN-ZDUSSCGKSA-N 2 1 287.407 2.288 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000110751639 186320629 /nfs/dbraw/zinc/32/06/29/186320629.db2.gz BCHGCNJXLHYCCN-ZDUSSCGKSA-N 2 1 287.407 2.288 10 0 CEAEMP CC[N@H+]1CCN(c2nc(C)c(C[NH2+]C3CC3)s2)C[C@@H]1C ZINC000110760152 186322585 /nfs/dbraw/zinc/32/25/85/186322585.db2.gz NELUCUISXKMAJB-NSHDSACASA-N 2 1 294.468 2.234 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@](C)(C[NH3+])c1ccccc1 ZINC000111123054 186354948 /nfs/dbraw/zinc/35/49/48/186354948.db2.gz AIEDKHWIKAFCMU-INIZCTEOSA-N 2 1 264.413 2.261 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000111143657 186359218 /nfs/dbraw/zinc/35/92/18/186359218.db2.gz WELBKPYVIRMJOX-ZNMIVQPWSA-N 2 1 270.461 2.446 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172817 186365542 /nfs/dbraw/zinc/36/55/42/186365542.db2.gz JOYZBKJFLIAIRJ-UHFFFAOYSA-N 2 1 298.471 2.141 10 0 CEAEMP CCC[N@@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324933 186398166 /nfs/dbraw/zinc/39/81/66/186398166.db2.gz XDCFJVVQHFCSFA-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2cccc(C)c2)CCCOC1 ZINC000111328779 186399348 /nfs/dbraw/zinc/39/93/48/186399348.db2.gz XSUJDKJPLSEYDQ-KRWDZBQOSA-N 2 1 276.424 2.443 10 0 CEAEMP COCCC[N@@H+](C)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111329211 186399856 /nfs/dbraw/zinc/39/98/56/186399856.db2.gz AMNGQYHONDJFHD-INIZCTEOSA-N 2 1 286.460 2.140 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251894208 539993691 /nfs/dbraw/zinc/99/36/91/539993691.db2.gz VUXXLYGTRUPVBC-WBVHZDCISA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000251894208 539993696 /nfs/dbraw/zinc/99/36/96/539993696.db2.gz VUXXLYGTRUPVBC-WBVHZDCISA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000251894208 539993701 /nfs/dbraw/zinc/99/37/01/539993701.db2.gz VUXXLYGTRUPVBC-WBVHZDCISA-N 2 1 279.472 2.325 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCF)C2)[nH+]1 ZINC000132896930 366178578 /nfs/dbraw/zinc/17/85/78/366178578.db2.gz KWDWXWNDMISDIY-ZDUSSCGKSA-N 2 1 251.349 2.483 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCF)C2)[nH+]1 ZINC000132896930 366178585 /nfs/dbraw/zinc/17/85/85/366178585.db2.gz KWDWXWNDMISDIY-ZDUSSCGKSA-N 2 1 251.349 2.483 10 0 CEAEMP CCC[N@@H+](CC)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059217 540079264 /nfs/dbraw/zinc/07/92/64/540079264.db2.gz MEKLRAFCKAIIHF-INIZCTEOSA-N 2 1 262.397 2.098 10 0 CEAEMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064316 /nfs/dbraw/zinc/06/43/16/364064316.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064319 /nfs/dbraw/zinc/06/43/19/364064319.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064321 /nfs/dbraw/zinc/06/43/21/364064321.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(C)(C)C)CC1 ZINC000112697844 364829957 /nfs/dbraw/zinc/82/99/57/364829957.db2.gz NDNNOKRVKMERLP-AWEZNQCLSA-N 2 1 270.461 2.447 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840688 367580870 /nfs/dbraw/zinc/58/08/70/367580870.db2.gz DTMNUPMAEDPCBM-JQWIXIFHSA-N 2 1 270.323 2.315 10 0 CEAEMP C[C@H]1C[N@H+](CCOc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631842938 367584313 /nfs/dbraw/zinc/58/43/13/367584313.db2.gz HPQOQYZEZWQSMZ-NWDGAFQWSA-N 2 1 268.788 2.245 10 0 CEAEMP C[C@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631842938 367584319 /nfs/dbraw/zinc/58/43/19/367584319.db2.gz HPQOQYZEZWQSMZ-NWDGAFQWSA-N 2 1 268.788 2.245 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000181655733 368479949 /nfs/dbraw/zinc/47/99/49/368479949.db2.gz ZRAXFRVIMSXOKE-HRCADAONSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181655733 368479953 /nfs/dbraw/zinc/47/99/53/368479953.db2.gz ZRAXFRVIMSXOKE-HRCADAONSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181655733 368479963 /nfs/dbraw/zinc/47/99/63/368479963.db2.gz ZRAXFRVIMSXOKE-HRCADAONSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000634999238 369032972 /nfs/dbraw/zinc/03/29/72/369032972.db2.gz RKNNJKRDAPQGGT-GXFFZTMASA-N 2 1 280.799 2.302 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000634999238 369032980 /nfs/dbraw/zinc/03/29/80/369032980.db2.gz RKNNJKRDAPQGGT-GXFFZTMASA-N 2 1 280.799 2.302 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000261698543 371704931 /nfs/dbraw/zinc/70/49/31/371704931.db2.gz NYHRRGXXALXIQS-USXIJHARSA-N 2 1 282.391 2.041 10 0 CEAEMP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261882700 371760860 /nfs/dbraw/zinc/76/08/60/371760860.db2.gz FNLIPDBSCRCKDT-RRFJBIMHSA-N 2 1 280.437 2.037 10 0 CEAEMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261960128 371786047 /nfs/dbraw/zinc/78/60/47/371786047.db2.gz PMUHKJYYFPTJSA-MGPQQGTHSA-N 2 1 295.452 2.007 10 0 CEAEMP c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000255994444 190000172 /nfs/dbraw/zinc/00/01/72/190000172.db2.gz PIZJBJGCANMPDH-HOCLYGCPSA-N 2 1 259.397 2.436 10 0 CEAEMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400707351 532986496 /nfs/dbraw/zinc/98/64/96/532986496.db2.gz LHYITHGBGGIEJL-AVGNSLFASA-N 2 1 278.396 2.352 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1CC[N@H+]1CCCN(C)CC1 ZINC000093551700 184688845 /nfs/dbraw/zinc/68/88/45/184688845.db2.gz DAYBEBFFBAIPAO-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC(CC)(C[NH2+]C)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094465530 184805143 /nfs/dbraw/zinc/80/51/43/184805143.db2.gz KSJZNBSCXJISMP-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+]1CCC(C)(C)C1)OCCO2 ZINC000094800606 184868492 /nfs/dbraw/zinc/86/84/92/184868492.db2.gz GQTVOBHVSHDSQQ-HUUCEWRRSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+]1CCC(C)(C)C1)OCCO2 ZINC000094800606 184868495 /nfs/dbraw/zinc/86/84/95/184868495.db2.gz GQTVOBHVSHDSQQ-HUUCEWRRSA-N 2 1 296.455 2.382 10 0 CEAEMP [NH3+]CCc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444567 135088801 /nfs/dbraw/zinc/08/88/01/135088801.db2.gz DQUNLJRXKBUVSX-CQSZACIVSA-N 2 1 277.387 2.001 10 0 CEAEMP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532345 394601695 /nfs/dbraw/zinc/60/16/95/394601695.db2.gz AGXLLQHNNQSFJH-ROUUACIJSA-N 2 1 287.451 2.192 10 0 CEAEMP CSCCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178308203 165236158 /nfs/dbraw/zinc/23/61/58/165236158.db2.gz NNXLWYGMSOADIU-ZDUSSCGKSA-N 2 1 253.415 2.409 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022152975 171360191 /nfs/dbraw/zinc/36/01/91/171360191.db2.gz UWFADYAADYEEQP-ZDUSSCGKSA-N 2 1 275.396 2.348 10 0 CEAEMP C[N@@H+](CC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022166097 171365913 /nfs/dbraw/zinc/36/59/13/171365913.db2.gz UQMNNOLUMHLNCG-UHFFFAOYSA-N 2 1 275.396 2.348 10 0 CEAEMP COC(=O)[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035133558 171999082 /nfs/dbraw/zinc/99/90/82/171999082.db2.gz DNKLAQYMNUMLTI-AWEZNQCLSA-N 2 1 290.407 2.050 10 0 CEAEMP CCCC[C@@H]([NH3+])c1nc(CC[NH+](CC)CC)no1 ZINC000035411347 172183132 /nfs/dbraw/zinc/18/31/32/172183132.db2.gz PRJITDRYVYBADK-LLVKDONJSA-N 2 1 254.378 2.144 10 0 CEAEMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C ZINC000037167646 173002588 /nfs/dbraw/zinc/00/25/88/173002588.db2.gz RHLWSWFXHASPPS-HLVVYCRESA-N 2 1 262.401 2.004 10 0 CEAEMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1C ZINC000037167646 173002590 /nfs/dbraw/zinc/00/25/90/173002590.db2.gz RHLWSWFXHASPPS-HLVVYCRESA-N 2 1 262.401 2.004 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NCCC[NH+](C)C)C1 ZINC000037210227 173033279 /nfs/dbraw/zinc/03/32/79/173033279.db2.gz QYLUWPAVVBVCJP-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC[NH+](C)C)C1 ZINC000037210227 173033281 /nfs/dbraw/zinc/03/32/81/173033281.db2.gz QYLUWPAVVBVCJP-HUUCEWRRSA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC[NH+](C)C)C1 ZINC000037210227 173033283 /nfs/dbraw/zinc/03/32/83/173033283.db2.gz QYLUWPAVVBVCJP-HUUCEWRRSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](CC=C(C)C)CC2)C1 ZINC000040502890 174298677 /nfs/dbraw/zinc/29/86/77/174298677.db2.gz PYUFUIIQEBZJSB-QGZVFWFLSA-N 2 1 279.472 2.491 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC2CC[NH+](CC=C(C)C)CC2)C1 ZINC000040502890 174298679 /nfs/dbraw/zinc/29/86/79/174298679.db2.gz PYUFUIIQEBZJSB-QGZVFWFLSA-N 2 1 279.472 2.491 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000040622503 174354745 /nfs/dbraw/zinc/35/47/45/174354745.db2.gz KYESQMAVVBEYEH-CQSZACIVSA-N 2 1 276.380 2.235 10 0 CEAEMP CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623459 174355886 /nfs/dbraw/zinc/35/58/86/174355886.db2.gz VHVKICYCEKGVIV-AWEZNQCLSA-N 2 1 278.444 2.363 10 0 CEAEMP CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623459 174355887 /nfs/dbraw/zinc/35/58/87/174355887.db2.gz VHVKICYCEKGVIV-AWEZNQCLSA-N 2 1 278.444 2.363 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@H]1[NH+]1CCCCCCC1 ZINC000043819370 175114006 /nfs/dbraw/zinc/11/40/06/175114006.db2.gz MJBDLQBTSJTCKA-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](CCCOC)CCOC ZINC000043970913 175131723 /nfs/dbraw/zinc/13/17/23/175131723.db2.gz ROEQHZXISHVCCK-HUUCEWRRSA-N 2 1 274.449 2.138 10 0 CEAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](CCCOC)CCOC ZINC000043970913 175131724 /nfs/dbraw/zinc/13/17/24/175131724.db2.gz ROEQHZXISHVCCK-HUUCEWRRSA-N 2 1 274.449 2.138 10 0 CEAEMP C[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071271 175301208 /nfs/dbraw/zinc/30/12/08/175301208.db2.gz IRHOUFBIFCIUTK-OAHLLOKOSA-N 2 1 265.445 2.064 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045368201 175362955 /nfs/dbraw/zinc/36/29/55/175362955.db2.gz OWAXMXUFQANHBA-CQSZACIVSA-N 2 1 258.406 2.169 10 0 CEAEMP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045368214 175363129 /nfs/dbraw/zinc/36/31/29/175363129.db2.gz KIPOLCKXNXCIMP-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045368214 175363130 /nfs/dbraw/zinc/36/31/30/175363130.db2.gz KIPOLCKXNXCIMP-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH+](CCC)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045378602 175367351 /nfs/dbraw/zinc/36/73/51/175367351.db2.gz YAEXVJADBVIDHP-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381438 175369756 /nfs/dbraw/zinc/36/97/56/175369756.db2.gz WAFXBZCEDYCUGM-DZGCQCFKSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381438 175369757 /nfs/dbraw/zinc/36/97/57/175369757.db2.gz WAFXBZCEDYCUGM-DZGCQCFKSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381436 175370235 /nfs/dbraw/zinc/37/02/35/175370235.db2.gz WAFXBZCEDYCUGM-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381436 175370236 /nfs/dbraw/zinc/37/02/36/175370236.db2.gz WAFXBZCEDYCUGM-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CCC)C(=O)OC ZINC000045382371 175371502 /nfs/dbraw/zinc/37/15/02/175371502.db2.gz BQQROJSUWKEJCL-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CCC)C(=O)OC ZINC000045382371 175371503 /nfs/dbraw/zinc/37/15/03/175371503.db2.gz BQQROJSUWKEJCL-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OC)C(C)C ZINC000045385811 175372392 /nfs/dbraw/zinc/37/23/92/175372392.db2.gz NAOQMZQTOXGALV-CQSZACIVSA-N 2 1 258.406 2.168 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CCCC1)C(N)=O ZINC000045390498 175374765 /nfs/dbraw/zinc/37/47/65/175374765.db2.gz LDUYMUNEHVRHCB-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000070941102 176014750 /nfs/dbraw/zinc/01/47/50/176014750.db2.gz ISEDWODTYHSBCR-JKSUJKDBSA-N 2 1 290.407 2.004 10 0 CEAEMP c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000071090731 176031415 /nfs/dbraw/zinc/03/14/15/176031415.db2.gz NXFSQECFJVEKRN-KDOFPFPSSA-N 2 1 286.419 2.374 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123779 176034790 /nfs/dbraw/zinc/03/47/90/176034790.db2.gz KRIPWZWFVRIPQK-SOUVJXGZSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000071124940 176035477 /nfs/dbraw/zinc/03/54/77/176035477.db2.gz UVLLSRNCUIABGT-GDBMZVCRSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000071161811 176046061 /nfs/dbraw/zinc/04/60/61/176046061.db2.gz BUXHJWXUGOMJOS-ZFWWWQNUSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000071161811 176046063 /nfs/dbraw/zinc/04/60/63/176046063.db2.gz BUXHJWXUGOMJOS-ZFWWWQNUSA-N 2 1 254.418 2.395 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)cc1N)C[C@@H]1CC[NH+](C)C1 ZINC000071187841 176061814 /nfs/dbraw/zinc/06/18/14/176061814.db2.gz DDBJUBGFVWGDTI-LLVKDONJSA-N 2 1 267.804 2.306 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)cc1N)C[C@@H]1CC[NH+](C)C1 ZINC000071187841 176061816 /nfs/dbraw/zinc/06/18/16/176061816.db2.gz DDBJUBGFVWGDTI-LLVKDONJSA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)cc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000071187841 176061817 /nfs/dbraw/zinc/06/18/17/176061817.db2.gz DDBJUBGFVWGDTI-LLVKDONJSA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)cc1N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187841 176061819 /nfs/dbraw/zinc/06/18/19/176061819.db2.gz DDBJUBGFVWGDTI-LLVKDONJSA-N 2 1 267.804 2.306 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188110 176062638 /nfs/dbraw/zinc/06/26/38/176062638.db2.gz XZXUBOSTVLIFFA-ZENOOKHLSA-N 2 1 279.403 2.098 10 0 CEAEMP CCCCCC[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188606 176063610 /nfs/dbraw/zinc/06/36/10/176063610.db2.gz KTZPNNJIHQCFIY-CABCVRRESA-N 2 1 255.450 2.168 10 0 CEAEMP COc1ccc([C@@H](C)[NH3+])cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188925 176063672 /nfs/dbraw/zinc/06/36/72/176063672.db2.gz JOERYUMXHIUQAP-ZIAGYGMSSA-N 2 1 291.439 2.098 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188622 176064080 /nfs/dbraw/zinc/06/40/80/176064080.db2.gz ZYQZDPYXRJJLPK-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189013 176064165 /nfs/dbraw/zinc/06/41/65/176064165.db2.gz BGOKIQAFQOGVDV-NCOADZHNSA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188987 176064255 /nfs/dbraw/zinc/06/42/55/176064255.db2.gz OVWXUZIFTXXADT-BFYDXBDKSA-N 2 1 275.440 2.219 10 0 CEAEMP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191216 176069997 /nfs/dbraw/zinc/06/99/97/176069997.db2.gz SXSJPILCKBNYFU-KBPBESRZSA-N 2 1 252.402 2.019 10 0 CEAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191216 176069998 /nfs/dbraw/zinc/06/99/98/176069998.db2.gz SXSJPILCKBNYFU-KBPBESRZSA-N 2 1 252.402 2.019 10 0 CEAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191216 176069999 /nfs/dbraw/zinc/06/99/99/176069999.db2.gz SXSJPILCKBNYFU-KBPBESRZSA-N 2 1 252.402 2.019 10 0 CEAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191216 176070000 /nfs/dbraw/zinc/07/00/00/176070000.db2.gz SXSJPILCKBNYFU-KBPBESRZSA-N 2 1 252.402 2.019 10 0 CEAEMP CC(C)C[NH2+]Cc1cccc(N(C)C[C@H]2CC[N@@H+](C)C2)n1 ZINC000071191785 176072036 /nfs/dbraw/zinc/07/20/36/176072036.db2.gz GXCUYDRDGCKOGX-HNNXBMFYSA-N 2 1 290.455 2.215 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191847 176072435 /nfs/dbraw/zinc/07/24/35/176072435.db2.gz ZHPQNELROZSATA-JKSUJKDBSA-N 3 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191847 176072436 /nfs/dbraw/zinc/07/24/36/176072436.db2.gz ZHPQNELROZSATA-JKSUJKDBSA-N 3 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191847 176072438 /nfs/dbraw/zinc/07/24/38/176072438.db2.gz ZHPQNELROZSATA-JKSUJKDBSA-N 3 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191847 176072440 /nfs/dbraw/zinc/07/24/40/176072440.db2.gz ZHPQNELROZSATA-JKSUJKDBSA-N 2 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191847 176072441 /nfs/dbraw/zinc/07/24/41/176072441.db2.gz ZHPQNELROZSATA-JKSUJKDBSA-N 2 1 269.477 2.284 10 0 CEAEMP C[C@@H]([NH3+])c1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000071193058 176075341 /nfs/dbraw/zinc/07/53/41/176075341.db2.gz SEMXLSUOOFLKOU-OLZOCXBDSA-N 2 1 290.411 2.122 10 0 CEAEMP CC[NH2+][C@@H]1CCCN(CCCC[N@@H+](C)C(C)C)C1 ZINC000071200751 176077815 /nfs/dbraw/zinc/07/78/15/176077815.db2.gz WZGPIMSTIURANC-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccc(F)cc2C[NH3+])CC(C)(C)O1 ZINC000071263568 176096489 /nfs/dbraw/zinc/09/64/89/176096489.db2.gz PJSXULFSKSMIGJ-NSHDSACASA-N 2 1 266.360 2.284 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C[NH3+])CC(C)(C)O1 ZINC000071263568 176096490 /nfs/dbraw/zinc/09/64/90/176096490.db2.gz PJSXULFSKSMIGJ-NSHDSACASA-N 2 1 266.360 2.284 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000071355743 176136518 /nfs/dbraw/zinc/13/65/18/176136518.db2.gz QSHALNGHVUVYJZ-ZFWWWQNUSA-N 2 1 278.444 2.290 10 0 CEAEMP CC(C)[C@@H]([NH3+])CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000136409797 419446710 /nfs/dbraw/zinc/44/67/10/419446710.db2.gz RVKRTOGPZGMMDX-HNNXBMFYSA-N 2 1 283.460 2.131 10 0 CEAEMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519261 260104380 /nfs/dbraw/zinc/10/43/80/260104380.db2.gz XMGASPKTPBLSAF-MCIONIFRSA-N 2 1 299.459 2.362 10 0 CEAEMP C[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000390609537 262227008 /nfs/dbraw/zinc/22/70/08/262227008.db2.gz ZDWWJVAYJFOJAR-NVXWUHKLSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000390609537 262227009 /nfs/dbraw/zinc/22/70/09/262227009.db2.gz ZDWWJVAYJFOJAR-NVXWUHKLSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390673768 262237687 /nfs/dbraw/zinc/23/76/87/262237687.db2.gz SUBQTSUEHGNNQT-CCNLRDMRSA-N 2 1 287.451 2.366 10 0 CEAEMP C[C@H](C[NH3+])C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390673768 262237688 /nfs/dbraw/zinc/23/76/88/262237688.db2.gz SUBQTSUEHGNNQT-CCNLRDMRSA-N 3 1 287.451 2.366 10 0 CEAEMP C[C@H](C[NH3+])C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390673768 262237689 /nfs/dbraw/zinc/23/76/89/262237689.db2.gz SUBQTSUEHGNNQT-CCNLRDMRSA-N 3 1 287.451 2.366 10 0 CEAEMP CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262033286 273772452 /nfs/dbraw/zinc/77/24/52/273772452.db2.gz XSQRWLALOGRNEL-KZNAEPCWSA-N 2 1 288.435 2.496 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037166735 279133183 /nfs/dbraw/zinc/13/31/83/279133183.db2.gz UROVSZKAZOBYOV-MRXNPFEDSA-N 2 1 269.477 2.425 10 0 CEAEMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239445 279322990 /nfs/dbraw/zinc/32/29/90/279322990.db2.gz HCXWHWKMMJJCEV-MWDXBVQZSA-N 2 1 279.472 2.371 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239445 279322993 /nfs/dbraw/zinc/32/29/93/279322993.db2.gz HCXWHWKMMJJCEV-MWDXBVQZSA-N 2 1 279.472 2.371 10 0 CEAEMP COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000226466319 280215289 /nfs/dbraw/zinc/21/52/89/280215289.db2.gz HIMNGGISYSQWQU-OAHLLOKOSA-N 2 1 276.380 2.047 10 0 CEAEMP Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258995969 280528396 /nfs/dbraw/zinc/52/83/96/280528396.db2.gz WKAWRWSEHUXRFQ-SECBINFHSA-N 2 1 287.176 2.287 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)C(C)C)nn1 ZINC000052478536 519748145 /nfs/dbraw/zinc/74/81/45/519748145.db2.gz KDEUTNNREDYNIV-CQSZACIVSA-N 2 1 281.448 2.000 10 0 CEAEMP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)C[C@@H]2CCCO2)C1 ZINC000054555389 519803305 /nfs/dbraw/zinc/80/33/05/519803305.db2.gz RQWKZKWVXRSOFT-CBBWQLFWSA-N 2 1 254.418 2.249 10 0 CEAEMP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000054555389 519803306 /nfs/dbraw/zinc/80/33/06/519803306.db2.gz RQWKZKWVXRSOFT-CBBWQLFWSA-N 2 1 254.418 2.249 10 0 CEAEMP CCCC1CC[NH+](CC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000050905577 519901390 /nfs/dbraw/zinc/90/13/90/519901390.db2.gz NRSRUDVAQDHRPY-INIZCTEOSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763346 519912760 /nfs/dbraw/zinc/91/27/60/519912760.db2.gz NXWAFTYKVLHYQZ-HNNXBMFYSA-N 2 1 268.445 2.393 10 0 CEAEMP CCC[NH2+]Cc1oc(C[N@@H+](C)CCOC)cc1C ZINC000052572993 519971797 /nfs/dbraw/zinc/97/17/97/519971797.db2.gz STDMTXLVOBCEJU-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637871 520045152 /nfs/dbraw/zinc/04/51/52/520045152.db2.gz RSVNYLXKPSASMJ-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637871 520045159 /nfs/dbraw/zinc/04/51/59/520045159.db2.gz RSVNYLXKPSASMJ-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+](CC)C1CCCCC1)C(N)=O ZINC000068617653 520235025 /nfs/dbraw/zinc/23/50/25/520235025.db2.gz ISUUMWVUPVBCPV-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000068617653 520235033 /nfs/dbraw/zinc/23/50/33/520235033.db2.gz ISUUMWVUPVBCPV-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CC1CCC([N@@H+](C)Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658179 520936723 /nfs/dbraw/zinc/93/67/23/520936723.db2.gz RBBPOFLYDQPLFA-UHFFFAOYSA-N 2 1 260.385 2.376 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052511765 522220327 /nfs/dbraw/zinc/22/03/27/522220327.db2.gz FRRAPGLVXPCYCQ-GFCCVEGCSA-N 2 1 254.374 2.244 10 0 CEAEMP C[NH2+][C@@H](C)CCCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078725 522320885 /nfs/dbraw/zinc/32/08/85/522320885.db2.gz ZBELGQANMGNGEB-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[N@@H+](CCC[NH3+])CCCOCC(F)(F)F ZINC000049312078 519643136 /nfs/dbraw/zinc/64/31/36/519643136.db2.gz UUDBFOKCFZKMGC-UHFFFAOYSA-N 2 1 256.312 2.015 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052503369 519716748 /nfs/dbraw/zinc/71/67/48/519716748.db2.gz PAHUTVPNTUEIHS-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCCC2)O1 ZINC000052444974 519723453 /nfs/dbraw/zinc/72/34/53/519723453.db2.gz OSHVQUBZHNSITG-GJZGRUSLSA-N 2 1 254.418 2.406 10 0 CEAEMP CC(C)[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504449 519728369 /nfs/dbraw/zinc/72/83/69/519728369.db2.gz CMOCEZVOVXQNHK-CYBMUJFWSA-N 2 1 281.448 2.143 10 0 CEAEMP CC(C)[C@H](C[NH3+])O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702301 519815131 /nfs/dbraw/zinc/81/51/31/519815131.db2.gz FLLBEYRJSHPHCG-HOTGVXAUSA-N 2 1 262.397 2.261 10 0 CEAEMP CCCC1CC[NH+]([C@H]2CC3(CC[C@@H]2[NH2+]C)OCCO3)CC1 ZINC000050893618 519903324 /nfs/dbraw/zinc/90/33/24/519903324.db2.gz ZCXFPDJXQXDEKM-HOTGVXAUSA-N 2 1 296.455 2.382 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000054629364 519910450 /nfs/dbraw/zinc/91/04/50/519910450.db2.gz OTVWEPQCGRERRV-MGNMYUMUSA-N 2 1 279.472 2.322 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479258 519927537 /nfs/dbraw/zinc/92/75/37/519927537.db2.gz LEFSDNUQMBMQDH-AEGPPILISA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507627 519937106 /nfs/dbraw/zinc/93/71/06/519937106.db2.gz DCTHDSDNHASOAG-PMPSAXMXSA-N 2 1 284.444 2.035 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000053011067 519950910 /nfs/dbraw/zinc/95/09/10/519950910.db2.gz JEYRMBJNVJWYOL-HNNXBMFYSA-N 2 1 262.397 2.169 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](C)CCO ZINC000054560059 520026627 /nfs/dbraw/zinc/02/66/27/520026627.db2.gz GZNPGYFUATVMSO-ARFHVFGLSA-N 2 1 270.461 2.351 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638259 520042195 /nfs/dbraw/zinc/04/21/95/520042195.db2.gz RXFVJFVIMBRNMP-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCCC[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052454809 520151616 /nfs/dbraw/zinc/15/16/16/520151616.db2.gz FJCYEKAEFRBGBS-UHFFFAOYSA-N 2 1 281.448 2.146 10 0 CEAEMP CCCC[N@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000062527586 520538125 /nfs/dbraw/zinc/53/81/25/520538125.db2.gz UGUAFGZTNWQXMJ-KBPBESRZSA-N 2 1 271.449 2.129 10 0 CEAEMP CCCC[N@@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)[C@@H](C)CC ZINC000062527586 520538132 /nfs/dbraw/zinc/53/81/32/520538132.db2.gz UGUAFGZTNWQXMJ-KBPBESRZSA-N 2 1 271.449 2.129 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1CC1 ZINC000069239476 521003875 /nfs/dbraw/zinc/00/38/75/521003875.db2.gz XOFGNWJGPVPGBU-MRXNPFEDSA-N 2 1 283.460 2.131 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)C(C)(C)CC)[NH2+]C ZINC000069443271 521145194 /nfs/dbraw/zinc/14/51/94/521145194.db2.gz PWCZQHHIQUGSCK-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C(C)(C)CC)[NH2+]C ZINC000069443271 521145199 /nfs/dbraw/zinc/14/51/99/521145199.db2.gz PWCZQHHIQUGSCK-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[N@@H+](CCOc1ccc(C[NH2+]C)cc1)[C@@H](C)COC ZINC000052504863 521150079 /nfs/dbraw/zinc/15/00/79/521150079.db2.gz JDAYTYWEOUFLIQ-AWEZNQCLSA-N 2 1 280.412 2.142 10 0 CEAEMP CCC[C@](C)(C[NH2+]C)C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653435 521267668 /nfs/dbraw/zinc/26/76/68/521267668.db2.gz ONENRHGEKBAIKR-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[C@](C)(C[NH2+]C)C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653435 521267671 /nfs/dbraw/zinc/26/76/71/521267671.db2.gz ONENRHGEKBAIKR-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H](C)[NH2+]C[C@@H]2C2CC2)c1C ZINC000068697750 521811123 /nfs/dbraw/zinc/81/11/23/521811123.db2.gz RVOKKQVZWBLTSU-BLLLJJGKSA-N 2 1 289.423 2.279 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197831 521968683 /nfs/dbraw/zinc/96/86/83/521968683.db2.gz XSYIQPCLDKKVKC-UHFFFAOYSA-N 2 1 254.418 2.123 10 0 CEAEMP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CN(C)C)CCCCC1 ZINC000061653460 521969434 /nfs/dbraw/zinc/96/94/34/521969434.db2.gz GKZLYKKUDDBUJQ-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H]2CN(C)C)CCCCC1 ZINC000061653460 521969441 /nfs/dbraw/zinc/96/94/41/521969441.db2.gz GKZLYKKUDDBUJQ-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@@H+](C)CC(C)C)cc1 ZINC000052452671 522121909 /nfs/dbraw/zinc/12/19/09/522121909.db2.gz GQNBSRRUMWEHPS-UHFFFAOYSA-N 2 1 250.386 2.373 10 0 CEAEMP C[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000068643083 522416009 /nfs/dbraw/zinc/41/60/09/522416009.db2.gz PKIQXHYGGUDIGF-ZBFHGGJFSA-N 2 1 295.471 2.275 10 0 CEAEMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CNCc2ccccc21 ZINC000069267508 522658941 /nfs/dbraw/zinc/65/89/41/522658941.db2.gz YFFBAQUOERTWIJ-QGZVFWFLSA-N 2 1 273.424 2.105 10 0 CEAEMP CN(CC1CC[NH+](C)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267508 522658945 /nfs/dbraw/zinc/65/89/45/522658945.db2.gz YFFBAQUOERTWIJ-QGZVFWFLSA-N 2 1 273.424 2.105 10 0 CEAEMP COc1cc2c(cc1OC)C[N@H+]([C@H](C)CCC[NH3+])CC2 ZINC000052417243 523032001 /nfs/dbraw/zinc/03/20/01/523032001.db2.gz YVCRRKWNYVJYAA-GFCCVEGCSA-N 2 1 278.396 2.189 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCOCC1 ZINC000052481270 523079562 /nfs/dbraw/zinc/07/95/62/523079562.db2.gz PBELXTNDZVTPBV-GJZGRUSLSA-N 2 1 284.444 2.033 10 0 CEAEMP CC[C@@H]1CCC[N@@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052479779 523251033 /nfs/dbraw/zinc/25/10/33/523251033.db2.gz QVKSVVHLQSMFMG-CQSZACIVSA-N 2 1 293.459 2.288 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571210 523342870 /nfs/dbraw/zinc/34/28/70/523342870.db2.gz IQQGAXOVLCMUJI-FZMZJTMJSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571210 523342879 /nfs/dbraw/zinc/34/28/79/523342879.db2.gz IQQGAXOVLCMUJI-FZMZJTMJSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@]1(C)C[NH2+][C@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068704261 523575286 /nfs/dbraw/zinc/57/52/86/523575286.db2.gz MZGHTGZUUHLOPT-JKSUJKDBSA-N 2 1 278.444 2.290 10 0 CEAEMP COCC[N@@H+](C)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052572863 523615745 /nfs/dbraw/zinc/61/57/45/523615745.db2.gz DVGNHCVGENUSAP-UHFFFAOYSA-N 2 1 294.439 2.389 10 0 CEAEMP C[NH+](C)CC1CC[NH+]([C@@H]2CNCc3ccccc32)CC1 ZINC000069266401 524049631 /nfs/dbraw/zinc/04/96/31/524049631.db2.gz LMTBRSFWRRTMLA-QGZVFWFLSA-N 2 1 273.424 2.105 10 0 CEAEMP Cc1cccnc1N1CCC[N@@H+](CCCCC[NH3+])CC1 ZINC000051040743 525534569 /nfs/dbraw/zinc/53/45/69/525534569.db2.gz MFNMSDMHPGXOJY-UHFFFAOYSA-N 2 1 276.428 2.031 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+](C)CCc1ccncc1 ZINC000052483104 526768542 /nfs/dbraw/zinc/76/85/42/526768542.db2.gz SOJWARGELRTMSL-UHFFFAOYSA-N 2 1 259.353 2.116 10 0 CEAEMP Cc1oc(CN2CCC[N@@H+](C)CC2)cc1C[NH2+]CC(C)C ZINC000052424191 526770667 /nfs/dbraw/zinc/77/06/67/526770667.db2.gz DZUZUMHRXHQVOW-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1oc(C[N@@H+]2CCCN(C)CC2)cc1C[NH2+]CC(C)C ZINC000052424191 526770672 /nfs/dbraw/zinc/77/06/72/526770672.db2.gz DZUZUMHRXHQVOW-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1oc(C[N@H+]2CCCN(C)CC2)cc1C[NH2+]CC(C)C ZINC000052424191 526770677 /nfs/dbraw/zinc/77/06/77/526770677.db2.gz DZUZUMHRXHQVOW-UHFFFAOYSA-N 2 1 293.455 2.471 10 0 CEAEMP [NH3+]C[C@@H]1CCCCC[C@@H]1[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061940910 527208261 /nfs/dbraw/zinc/20/82/61/527208261.db2.gz FJCFJDZAUYDJFZ-STQMWFEESA-N 2 1 293.377 2.074 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052576196 527443470 /nfs/dbraw/zinc/44/34/70/527443470.db2.gz XUGAFPVISGMWQJ-OLZOCXBDSA-N 2 1 251.374 2.127 10 0 CEAEMP C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919589 624695306 /nfs/dbraw/zinc/69/53/06/624695306.db2.gz XPPTWZJWKDCAFZ-RRFJBIMHSA-N 2 1 252.402 2.020 10 0 CEAEMP Cc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000311831380 627702660 /nfs/dbraw/zinc/70/26/60/627702660.db2.gz PDHODLBDSJMHMH-SOUVJXGZSA-N 2 1 260.381 2.043 10 0 CEAEMP CC(C)[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399018595 628768929 /nfs/dbraw/zinc/76/89/29/628768929.db2.gz GOWKFNGJQGLGHR-QGZVFWFLSA-N 2 1 276.424 2.430 10 0 CEAEMP [NH3+][C@@H]1CC[C@H](CNc2cc[nH+]cc2Br)C1 ZINC000227650182 639599581 /nfs/dbraw/zinc/59/95/81/639599581.db2.gz FEPKBYDDUOSENY-DTWKUNHWSA-N 2 1 270.174 2.383 10 0 CEAEMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000113514400 644415396 /nfs/dbraw/zinc/41/53/96/644415396.db2.gz SAWGRKFEEUSCHZ-DOMZBBRYSA-N 2 1 282.815 2.257 10 0 CEAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000113514400 644415401 /nfs/dbraw/zinc/41/54/01/644415401.db2.gz SAWGRKFEEUSCHZ-DOMZBBRYSA-N 2 1 282.815 2.257 10 0 CEAEMP COCC1=CC[N@@H+](CC2CCC(C[NH3+])CC2)CC1 ZINC000097031487 185155338 /nfs/dbraw/zinc/15/53/38/185155338.db2.gz SYMFJGVWBOHSME-UHFFFAOYSA-N 2 1 252.402 2.030 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401028 343800924 /nfs/dbraw/zinc/80/09/24/343800924.db2.gz CKKXSOFANOKPTB-CVEARBPZSA-N 2 1 289.423 2.067 10 0 CEAEMP Brc1c[nH+]ccc1NCC1CC[NH2+]CC1 ZINC000140380875 344397836 /nfs/dbraw/zinc/39/78/36/344397836.db2.gz BNVYQHXGOLQJSM-UHFFFAOYSA-N 2 1 270.174 2.256 10 0 CEAEMP C[C@H](C[NH3+])[C@@H](C)Nc1cc[nH+]cc1Br ZINC000228820702 344563716 /nfs/dbraw/zinc/56/37/16/344563716.db2.gz PLSDORCGEIBZHK-HTQZYQBOSA-N 2 1 258.163 2.239 10 0 CEAEMP CCC1(CC)C[N@H+](Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085628203 179106832 /nfs/dbraw/zinc/10/68/32/179106832.db2.gz AFLIRSWIDGLHEK-ZDUSSCGKSA-N 2 1 264.417 2.163 10 0 CEAEMP CCC1(CC)C[N@@H+](Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085628203 179106834 /nfs/dbraw/zinc/10/68/34/179106834.db2.gz AFLIRSWIDGLHEK-ZDUSSCGKSA-N 2 1 264.417 2.163 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](C[C@@H]2CCCO2)[C@@H](C)CC[NH2+]1 ZINC000085621910 179105491 /nfs/dbraw/zinc/10/54/91/179105491.db2.gz MIBMVEGIBPWOKB-KKUMJFAQSA-N 2 1 254.418 2.264 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2cccnc21 ZINC000085622229 179105794 /nfs/dbraw/zinc/10/57/94/179105794.db2.gz OSHZUEAFEVVTIC-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2cccnc21 ZINC000085622229 179105796 /nfs/dbraw/zinc/10/57/96/179105796.db2.gz OSHZUEAFEVVTIC-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086143125 179237409 /nfs/dbraw/zinc/23/74/09/179237409.db2.gz LQTIJYQOZUTXGS-IRXDYDNUSA-N 2 1 273.424 2.117 10 0 CEAEMP CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086173673 179244322 /nfs/dbraw/zinc/24/43/22/179244322.db2.gz PXNABJGOBWOLQW-SJORKVTESA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086172522 179244906 /nfs/dbraw/zinc/24/49/06/179244906.db2.gz QGASANBRWDEDOY-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173700 179244925 /nfs/dbraw/zinc/24/49/25/179244925.db2.gz AXBMYQMWNDCAJG-GDBMZVCRSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)CC1 ZINC000086173700 179244926 /nfs/dbraw/zinc/24/49/26/179244926.db2.gz AXBMYQMWNDCAJG-GDBMZVCRSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086174279 179245724 /nfs/dbraw/zinc/24/57/24/179245724.db2.gz DWEYKGVHHLCIQN-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086174279 179245725 /nfs/dbraw/zinc/24/57/25/179245725.db2.gz DWEYKGVHHLCIQN-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2CCN[C@H](CC(C)C)C2)CC1 ZINC000086145730 179238867 /nfs/dbraw/zinc/23/88/67/179238867.db2.gz FRROJDXNMQDCDJ-MRXNPFEDSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCN[C@H](CC(C)C)C2)CC1 ZINC000086145730 179238868 /nfs/dbraw/zinc/23/88/68/179238868.db2.gz FRROJDXNMQDCDJ-MRXNPFEDSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223045 179250478 /nfs/dbraw/zinc/25/04/78/179250478.db2.gz KWYBSMGXXBRCRR-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP CCC[C@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223071 179251132 /nfs/dbraw/zinc/25/11/32/179251132.db2.gz DDUXYZJLJWAJPA-IKGGRYGDSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223062 179251139 /nfs/dbraw/zinc/25/11/39/179251139.db2.gz NFJAGYOXHOXUAL-BRWVUGGUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224021 179253872 /nfs/dbraw/zinc/25/38/72/179253872.db2.gz NZYRDGAJAQXFBV-OAGGEKHMSA-N 2 1 281.488 2.425 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260731 179259713 /nfs/dbraw/zinc/25/97/13/179259713.db2.gz TXOHEJOTPDKCFQ-NXHRZFHOSA-N 2 1 293.499 2.425 10 0 CEAEMP CCC1(CC)C[N@H+](CCCC[NH+](C)C)[C@H](C)CN1 ZINC000086261083 179260045 /nfs/dbraw/zinc/26/00/45/179260045.db2.gz OGRCSILYYXFVQS-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC1(CC)C[N@@H+](CCCC[NH+](C)C)[C@H](C)CN1 ZINC000086261083 179260047 /nfs/dbraw/zinc/26/00/47/179260047.db2.gz OGRCSILYYXFVQS-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288724 179265014 /nfs/dbraw/zinc/26/50/14/179265014.db2.gz WWYDFTDHHZBWCU-HOCLYGCPSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288724 179265016 /nfs/dbraw/zinc/26/50/16/179265016.db2.gz WWYDFTDHHZBWCU-HOCLYGCPSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291371 179265760 /nfs/dbraw/zinc/26/57/60/179265760.db2.gz WWQGWETVOVRNCY-KKUMJFAQSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293268 179266956 /nfs/dbraw/zinc/26/69/56/179266956.db2.gz FQFXFWHIOFTVPE-OAHLLOKOSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)C[C@@H]1CN(CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293268 179266959 /nfs/dbraw/zinc/26/69/59/179266959.db2.gz FQFXFWHIOFTVPE-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP C1CCC2(CC1)C[N@H+]([C@@H]1CCCOC1)CCC[NH2+]2 ZINC000086297577 179267269 /nfs/dbraw/zinc/26/72/69/179267269.db2.gz IQZIRJDPCBOLCX-CQSZACIVSA-N 2 1 252.402 2.164 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293505 179267462 /nfs/dbraw/zinc/26/74/62/179267462.db2.gz NLBYXSPJTXIWOZ-XQLPTFJDSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@@]1(C)C[N@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296777 179268135 /nfs/dbraw/zinc/26/81/35/179268135.db2.gz KDJZNHBSNYCBKV-AWEZNQCLSA-N 2 1 267.442 2.458 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296777 179268138 /nfs/dbraw/zinc/26/81/38/179268138.db2.gz KDJZNHBSNYCBKV-AWEZNQCLSA-N 2 1 267.442 2.458 10 0 CEAEMP CC1(C)C[N@H+](CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298046 179268643 /nfs/dbraw/zinc/26/86/43/179268643.db2.gz OPTYVTQGIGUYGE-UHFFFAOYSA-N 2 1 254.418 2.410 10 0 CEAEMP CC1(C)C[N@@H+](CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298046 179268646 /nfs/dbraw/zinc/26/86/46/179268646.db2.gz OPTYVTQGIGUYGE-UHFFFAOYSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[C@@H](COC)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086299457 179269245 /nfs/dbraw/zinc/26/92/45/179269245.db2.gz XWUHYDYUBWPOEQ-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP CN(c1nc2c(s1)CCC[C@@H]2[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000086443083 179293972 /nfs/dbraw/zinc/29/39/72/179293972.db2.gz MGNXOFGGVUWPHE-MNOVXSKESA-N 2 1 280.441 2.010 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000086818550 179347593 /nfs/dbraw/zinc/34/75/93/179347593.db2.gz UHSUOMREOKNIMP-CABCVRRESA-N 2 1 278.444 2.372 10 0 CEAEMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818562 179347622 /nfs/dbraw/zinc/34/76/22/179347622.db2.gz JMAAWMPIOYBSJO-OCCSQVGLSA-N 2 1 290.411 2.312 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847585 179356840 /nfs/dbraw/zinc/35/68/40/179356840.db2.gz DSQZPXDGQCHBMV-MRXNPFEDSA-N 2 1 279.428 2.303 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C(C)C)CC1 ZINC000086848122 179356867 /nfs/dbraw/zinc/35/68/67/179356867.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](CC2CC2)C(C)C)CC1 ZINC000086848122 179356869 /nfs/dbraw/zinc/35/68/69/179356869.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](CC2CC2)C(C)C)CC1 ZINC000086848122 179356870 /nfs/dbraw/zinc/35/68/70/179356870.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+](CC2CC2)C(C)C)CC1 ZINC000086848122 179356873 /nfs/dbraw/zinc/35/68/73/179356873.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](CC2CC2)C(C)C)CC1 ZINC000086848122 179356875 /nfs/dbraw/zinc/35/68/75/179356875.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848488 179356983 /nfs/dbraw/zinc/35/69/83/179356983.db2.gz OAMYCXQXQNIIJS-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NCCC[NH+]2CCCCC2)CC1 ZINC000086836399 179351902 /nfs/dbraw/zinc/35/19/02/179351902.db2.gz CBSWKZKVRMUTBL-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000086836399 179351903 /nfs/dbraw/zinc/35/19/03/179351903.db2.gz CBSWKZKVRMUTBL-MRXNPFEDSA-N 3 1 267.461 2.326 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000086836399 179351904 /nfs/dbraw/zinc/35/19/04/179351904.db2.gz CBSWKZKVRMUTBL-MRXNPFEDSA-N 3 1 267.461 2.326 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843353 179353321 /nfs/dbraw/zinc/35/33/21/179353321.db2.gz AOBGCPQRRYTECS-INIZCTEOSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840755 179353582 /nfs/dbraw/zinc/35/35/82/179353582.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@H](CN[C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086840755 179353583 /nfs/dbraw/zinc/35/35/83/179353583.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@H](CN[C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086840755 179353585 /nfs/dbraw/zinc/35/35/85/179353585.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840755 179353586 /nfs/dbraw/zinc/35/35/86/179353586.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840755 179353588 /nfs/dbraw/zinc/35/35/88/179353588.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086840755 179353589 /nfs/dbraw/zinc/35/35/89/179353589.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086840755 179353591 /nfs/dbraw/zinc/35/35/91/179353591.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843437 179353684 /nfs/dbraw/zinc/35/36/84/179353684.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843437 179353686 /nfs/dbraw/zinc/35/36/86/179353686.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843437 179353688 /nfs/dbraw/zinc/35/36/88/179353688.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086843437 179353690 /nfs/dbraw/zinc/35/36/90/179353690.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086843437 179353692 /nfs/dbraw/zinc/35/36/92/179353692.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)CN(C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846813 179354540 /nfs/dbraw/zinc/35/45/40/179354540.db2.gz RVRNECAUJPFKIX-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@H+](C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846813 179354541 /nfs/dbraw/zinc/35/45/41/179354541.db2.gz RVRNECAUJPFKIX-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@@H+](C)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846813 179354542 /nfs/dbraw/zinc/35/45/42/179354542.db2.gz RVRNECAUJPFKIX-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086846813 179354544 /nfs/dbraw/zinc/35/45/44/179354544.db2.gz RVRNECAUJPFKIX-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086846813 179354546 /nfs/dbraw/zinc/35/45/46/179354546.db2.gz RVRNECAUJPFKIX-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845178 179354844 /nfs/dbraw/zinc/35/48/44/179354844.db2.gz SMDHCUUOOGWJAC-LBPRGKRZSA-N 2 1 282.350 2.418 10 0 CEAEMP CC[NH+]1CCC(O)(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000087165793 179398507 /nfs/dbraw/zinc/39/85/07/179398507.db2.gz XPYQEPAJAJVOQP-UHFFFAOYSA-N 2 1 278.396 2.096 10 0 CEAEMP CCOc1cc2c(cc1C[N@H+]1CC[C@H](C[NH3+])C1)CCC2 ZINC000067674050 362916971 /nfs/dbraw/zinc/91/69/71/362916971.db2.gz VJTKSHKDMKGJJJ-CYBMUJFWSA-N 2 1 274.408 2.355 10 0 CEAEMP CC[NH2+][C@H](c1c[nH+]ccc1N)[C@H]1COc2ccccc2O1 ZINC000087859931 179503654 /nfs/dbraw/zinc/50/36/54/179503654.db2.gz PELVUEAJMLPMET-HZPDHXFCSA-N 2 1 285.347 2.154 10 0 CEAEMP CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000088300173 179576399 /nfs/dbraw/zinc/57/63/99/179576399.db2.gz MYGXTEMTIABKRI-LZWOXQAQSA-N 2 1 295.471 2.144 10 0 CEAEMP CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000088300173 179576400 /nfs/dbraw/zinc/57/64/00/179576400.db2.gz MYGXTEMTIABKRI-LZWOXQAQSA-N 2 1 295.471 2.144 10 0 CEAEMP C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342603 233176539 /nfs/dbraw/zinc/17/65/39/233176539.db2.gz JDXFSBWLHGIFLG-CGTJXYLNSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342603 233176540 /nfs/dbraw/zinc/17/65/40/233176540.db2.gz JDXFSBWLHGIFLG-CGTJXYLNSA-N 2 1 287.451 2.239 10 0 CEAEMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694376 180026467 /nfs/dbraw/zinc/02/64/67/180026467.db2.gz IGPHHXDNZWBKHR-LSDHHAIUSA-N 2 1 252.402 2.020 10 0 CEAEMP Cc1nc2sccn2c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721090 180031423 /nfs/dbraw/zinc/03/14/23/180031423.db2.gz AUCGKXIIYWJGEN-PWSUYJOCSA-N 2 1 278.425 2.277 10 0 CEAEMP Cc1nc2sccn2c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721090 180031425 /nfs/dbraw/zinc/03/14/25/180031425.db2.gz AUCGKXIIYWJGEN-PWSUYJOCSA-N 2 1 278.425 2.277 10 0 CEAEMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894306 180055881 /nfs/dbraw/zinc/05/58/81/180055881.db2.gz YXPMSTRAOSCRPN-CABCVRRESA-N 2 1 278.371 2.333 10 0 CEAEMP CC[N@H+](C[C@H]1Cc2cc(C)ccc2O1)C(C)(C)C[NH3+] ZINC000090897015 180056773 /nfs/dbraw/zinc/05/67/73/180056773.db2.gz IZAWXWSGOLSVBI-CQSZACIVSA-N 2 1 262.397 2.358 10 0 CEAEMP CC[N@@H+](C[C@H]1Cc2cc(C)ccc2O1)C(C)(C)C[NH3+] ZINC000090897015 180056774 /nfs/dbraw/zinc/05/67/74/180056774.db2.gz IZAWXWSGOLSVBI-CQSZACIVSA-N 2 1 262.397 2.358 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897476 180057002 /nfs/dbraw/zinc/05/70/02/180057002.db2.gz RKUPLMGRVSBCJK-RHSMWYFYSA-N 2 1 286.419 2.372 10 0 CEAEMP CC[C@H]1C[N@H+](C[C@@H]2Cc3cc(C)ccc3O2)CCC[NH2+]1 ZINC000090902512 180059967 /nfs/dbraw/zinc/05/99/67/180059967.db2.gz BQVKFNCBGMRFFG-HOTGVXAUSA-N 2 1 274.408 2.372 10 0 CEAEMP CC[C@H]1C[N@@H+](C[C@@H]2Cc3cc(C)ccc3O2)CCC[NH2+]1 ZINC000090902512 180059968 /nfs/dbraw/zinc/05/99/68/180059968.db2.gz BQVKFNCBGMRFFG-HOTGVXAUSA-N 2 1 274.408 2.372 10 0 CEAEMP C(C[N@H+]1CCC[C@@H]1C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000091314039 180133490 /nfs/dbraw/zinc/13/34/90/180133490.db2.gz PDWAZYLSBCDYOA-HUUCEWRRSA-N 2 1 252.402 2.020 10 0 CEAEMP C[N@H+]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1(C)C ZINC000091362848 180142329 /nfs/dbraw/zinc/14/23/29/180142329.db2.gz BMNDVZTYQRTPRA-JYJNAYRXSA-N 2 1 279.472 2.323 10 0 CEAEMP FC(F)(F)[C@H]1CCC[N@H+](CC[C@@H]2CSCC[NH2+]2)C1 ZINC000091292366 180123564 /nfs/dbraw/zinc/12/35/64/180123564.db2.gz JFCDKTXYPIFVDS-WDEREUQCSA-N 2 1 282.375 2.356 10 0 CEAEMP FC(F)(F)[C@H]1CCC[N@@H+](CC[C@@H]2CSCC[NH2+]2)C1 ZINC000091292366 180123566 /nfs/dbraw/zinc/12/35/66/180123566.db2.gz JFCDKTXYPIFVDS-WDEREUQCSA-N 2 1 282.375 2.356 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)CC2CC(O)C2)CCC[C@@H](C)C1 ZINC000091498655 180174249 /nfs/dbraw/zinc/17/42/49/180174249.db2.gz AUUBWBGXJAQJPB-LMPOIIKSSA-N 2 1 268.445 2.105 10 0 CEAEMP C[NH2+][C@@H](Cc1ccccn1)C(C)(C)[NH+]1CCCCC1 ZINC000091564720 180193667 /nfs/dbraw/zinc/19/36/67/180193667.db2.gz HQCZLGZWUYNCNS-HNNXBMFYSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[C@](C)([C@@H](Cc1ncnn1C(C)C)[NH2+]C)[NH+]1CCCC1 ZINC000091607027 180204365 /nfs/dbraw/zinc/20/43/65/180204365.db2.gz DRSIPJOFJCNQDP-GDBMZVCRSA-N 2 1 293.459 2.254 10 0 CEAEMP CCc1cc(C[C@H]([NH2+]C)[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091606593 180204458 /nfs/dbraw/zinc/20/44/58/180204458.db2.gz LILBJAHPFZFZCF-DLBZAZTESA-N 2 1 292.471 2.378 10 0 CEAEMP CCC[NH2+][C@H](Cc1cc(CC)nn1C)C(C)(C)[NH+](C)C ZINC000091529493 180180710 /nfs/dbraw/zinc/18/07/10/180180710.db2.gz MJCNHJJIEISIGU-OAHLLOKOSA-N 2 1 280.460 2.233 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)[NH+](CC)CC ZINC000091532012 180181580 /nfs/dbraw/zinc/18/15/80/180181580.db2.gz FOORMSIHWQVYGU-HNNXBMFYSA-N 2 1 280.460 2.451 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(CC)c1)C1([NH+](C)C)CCCC1 ZINC000091638003 180212473 /nfs/dbraw/zinc/21/24/73/180212473.db2.gz NTBQRYFDXNUYPL-HNNXBMFYSA-N 2 1 278.444 2.298 10 0 CEAEMP CC(C)n1ncnc1C[C@@H]([NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000091640807 180213209 /nfs/dbraw/zinc/21/32/09/180213209.db2.gz RMKXPWZWILQKCM-CQSZACIVSA-N 2 1 291.443 2.137 10 0 CEAEMP CCc1cc(C[C@@H]([NH3+])C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640677 180213565 /nfs/dbraw/zinc/21/35/65/180213565.db2.gz ZJCOBOSIMGTKMJ-MRXNPFEDSA-N 2 1 290.455 2.261 10 0 CEAEMP C[NH2+][C@H](CCc1ccsc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721257 180237739 /nfs/dbraw/zinc/23/77/39/180237739.db2.gz MKVNPEQUQIXYGC-KFWWJZLASA-N 2 1 280.437 2.132 10 0 CEAEMP C[NH2+][C@H](CCc1ccsc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721257 180237742 /nfs/dbraw/zinc/23/77/42/180237742.db2.gz MKVNPEQUQIXYGC-KFWWJZLASA-N 2 1 280.437 2.132 10 0 CEAEMP CC[NH2+][C@H](CC1CCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722031 180240463 /nfs/dbraw/zinc/24/04/63/180240463.db2.gz OLRYOAXKPZUHSU-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+][C@H](CC1CCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722031 180240464 /nfs/dbraw/zinc/24/04/64/180240464.db2.gz OLRYOAXKPZUHSU-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[N@@H+](Cc1nc(C)c(C)o1)C1CCC([NH3+])CC1 ZINC000091850852 180272456 /nfs/dbraw/zinc/27/24/56/180272456.db2.gz IBLRWXQOLBYRQA-UHFFFAOYSA-N 2 1 251.374 2.383 10 0 CEAEMP C[NH2+][C@H](c1ccn(CCn2cc[nH+]c2C)c1)C1CC1 ZINC000091837433 180268120 /nfs/dbraw/zinc/26/81/20/180268120.db2.gz YGXVCLXYTCCAHQ-HNNXBMFYSA-N 2 1 258.369 2.364 10 0 CEAEMP CC[N@@H+](C[C@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850702 180272053 /nfs/dbraw/zinc/27/20/53/180272053.db2.gz RDUAWTATLUAIAT-GPANFISMSA-N 2 1 262.397 2.312 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000091870543 180276889 /nfs/dbraw/zinc/27/68/89/180276889.db2.gz DXSYUXNNDPWIMD-WUCCLRPBSA-N 2 1 254.418 2.406 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)N[C@@H](C)CC)CC1 ZINC000091870102 180277084 /nfs/dbraw/zinc/27/70/84/180277084.db2.gz MUENMPUMKKULIO-NFOMZHRRSA-N 2 1 283.460 2.144 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCn2ccnc2C)CC1 ZINC000091870462 180277114 /nfs/dbraw/zinc/27/71/14/180277114.db2.gz VAQFGZFTOFWZSJ-UHFFFAOYSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[NH2+]C1CCC([N@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000091870462 180277116 /nfs/dbraw/zinc/27/71/16/180277116.db2.gz VAQFGZFTOFWZSJ-UHFFFAOYSA-N 3 1 264.417 2.044 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000091870462 180277117 /nfs/dbraw/zinc/27/71/17/180277117.db2.gz VAQFGZFTOFWZSJ-UHFFFAOYSA-N 3 1 264.417 2.044 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000091871433 180277455 /nfs/dbraw/zinc/27/74/55/180277455.db2.gz KSJVTXXRWSTEDV-UHFFFAOYSA-N 2 1 276.380 2.378 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000091870095 180277510 /nfs/dbraw/zinc/27/75/10/180277510.db2.gz DGWWFSFUNIJZAX-FHERZECASA-N 2 1 297.487 2.390 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@H]2COC3(CCCC3)O2)CC1 ZINC000091873135 180277955 /nfs/dbraw/zinc/27/79/55/180277955.db2.gz ALWANPKJBOIJRI-NRXISQOPSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[C@H]([NH3+])c1ccccc1OC[C@@H]1C[N@H+](CC)CCO1 ZINC000092050976 180311829 /nfs/dbraw/zinc/31/18/29/180311829.db2.gz VXPATPZEECWHQZ-ZFWWWQNUSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@H]([NH3+])c1ccccc1OC[C@@H]1C[N@@H+](CC)CCO1 ZINC000092050976 180311830 /nfs/dbraw/zinc/31/18/30/180311830.db2.gz VXPATPZEECWHQZ-ZFWWWQNUSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[NH2+]Cc1cc(C)c(OC[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000092054029 180312940 /nfs/dbraw/zinc/31/29/40/180312940.db2.gz CNRMMGWPCLSLPU-MRXNPFEDSA-N 2 1 292.423 2.122 10 0 CEAEMP CC[NH2+]Cc1cc(C)c(OC[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000092054029 180312941 /nfs/dbraw/zinc/31/29/41/180312941.db2.gz CNRMMGWPCLSLPU-MRXNPFEDSA-N 2 1 292.423 2.122 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc(Cl)cc2[C@H](C)[NH3+])C1 ZINC000092051308 180313071 /nfs/dbraw/zinc/31/30/71/180313071.db2.gz NVRYZSAIBLBKOQ-WCQYABFASA-N 2 1 298.814 2.459 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc(Cl)cc2[C@H](C)[NH3+])C1 ZINC000092051308 180313072 /nfs/dbraw/zinc/31/30/72/180313072.db2.gz NVRYZSAIBLBKOQ-WCQYABFASA-N 2 1 298.814 2.459 10 0 CEAEMP CC[C@@H]([NH3+])Cc1nc(C)ccc1OCCn1cc[nH+]c1C ZINC000092000379 180303700 /nfs/dbraw/zinc/30/37/00/180303700.db2.gz XNHSDKHEQGQLGO-CQSZACIVSA-N 2 1 288.395 2.254 10 0 CEAEMP CC(C)[NH2+]Cc1csc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000092005055 180305501 /nfs/dbraw/zinc/30/55/01/180305501.db2.gz CJAUQNSKMUBBTQ-KGLIPLIRSA-N 2 1 294.468 2.314 10 0 CEAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1CSc2ccccc21 ZINC000092290793 180357672 /nfs/dbraw/zinc/35/76/72/180357672.db2.gz YBNMVIWWPKFRKN-BHPKHCPMSA-N 2 1 274.433 2.416 10 0 CEAEMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300576 180358543 /nfs/dbraw/zinc/35/85/43/180358543.db2.gz LNMFXYCNZVTKFQ-ZIAGYGMSSA-N 2 1 262.397 2.483 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000092339836 180364882 /nfs/dbraw/zinc/36/48/82/180364882.db2.gz OCFOFCVERWOLRB-HNNXBMFYSA-N 2 1 278.444 2.104 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000092339836 180364884 /nfs/dbraw/zinc/36/48/84/180364884.db2.gz OCFOFCVERWOLRB-HNNXBMFYSA-N 2 1 278.444 2.104 10 0 CEAEMP C[N@@H+](Cc1cc(Cl)ccn1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092417349 180380951 /nfs/dbraw/zinc/38/09/51/180380951.db2.gz DNVMTALDCJHNCM-ZWNOBZJWSA-N 2 1 253.777 2.294 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000109604120 186267957 /nfs/dbraw/zinc/26/79/57/186267957.db2.gz ZBCMTCSYUHVJGJ-AWEZNQCLSA-N 2 1 294.370 2.202 10 0 CEAEMP CCOC(=O)c1ccoc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110650117 186310431 /nfs/dbraw/zinc/31/04/31/186310431.db2.gz UAPTWMJERHZDGY-NSHDSACASA-N 2 1 280.368 2.016 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000110694725 186313434 /nfs/dbraw/zinc/31/34/34/186313434.db2.gz YVMXUQFRXVJRLD-QWHCGFSZSA-N 2 1 290.411 2.135 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000110694725 186313436 /nfs/dbraw/zinc/31/34/36/186313436.db2.gz YVMXUQFRXVJRLD-QWHCGFSZSA-N 2 1 290.411 2.135 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2cccs2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110704079 186314138 /nfs/dbraw/zinc/31/41/38/186314138.db2.gz CTZFNKMFNGYGIV-YRGRVCCFSA-N 2 1 267.442 2.162 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cc(C)sc2C)C[C@@H]1C ZINC000110708573 186314323 /nfs/dbraw/zinc/31/43/23/186314323.db2.gz LKLJXEZMQYRHRR-NHYWBVRUSA-N 2 1 281.469 2.391 10 0 CEAEMP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704651 186314737 /nfs/dbraw/zinc/31/47/37/186314737.db2.gz GQMPDXLOUSKUNO-HOCLYGCPSA-N 2 1 275.440 2.409 10 0 CEAEMP CCC[NH2+][C@@H](CCC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716979 186316737 /nfs/dbraw/zinc/31/67/37/186316737.db2.gz KRRDBCNVXRLJJO-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[N@H+]1CCN(C[C@@](C)(C[NH2+]C)c2ccccc2)C[C@@H]1C ZINC000110745688 186319604 /nfs/dbraw/zinc/31/96/04/186319604.db2.gz JEOZRDRPJILDOK-FUHWJXTLSA-N 2 1 289.467 2.190 10 0 CEAEMP CC[NH2+]CC1(CN2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000110747145 186319887 /nfs/dbraw/zinc/31/98/87/186319887.db2.gz HOERQPAQXSSLMR-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@H+]1CCN(Cc2c3ccccc3oc2C[NH3+])CC1(C)C ZINC000110754613 186320453 /nfs/dbraw/zinc/32/04/53/186320453.db2.gz RTTXJXAMAVVQOT-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP C[NH2+]Cc1sc(N2CC[N@H+](C)[C@@H](C)C2)nc1C(C)(C)C ZINC000110760054 186323608 /nfs/dbraw/zinc/32/36/08/186323608.db2.gz IZVFGANACLVIFF-NSHDSACASA-N 2 1 296.484 2.300 10 0 CEAEMP C[NH2+]Cc1sc(N2CC[N@@H+](C)[C@@H](C)C2)nc1C(C)(C)C ZINC000110760054 186323609 /nfs/dbraw/zinc/32/36/09/186323609.db2.gz IZVFGANACLVIFF-NSHDSACASA-N 2 1 296.484 2.300 10 0 CEAEMP C[NH+](C)CCC[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000111150061 186360518 /nfs/dbraw/zinc/36/05/18/186360518.db2.gz PFLKPYGFDMDPIE-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000111150061 186360520 /nfs/dbraw/zinc/36/05/20/186360520.db2.gz PFLKPYGFDMDPIE-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP CC[C@]1(C[N@@H+](C)CC2CCOCC2)CCC[NH2+]C1 ZINC000111179318 186366580 /nfs/dbraw/zinc/36/65/80/186366580.db2.gz QXSORKVTOFXBFF-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP CC(C)C[NH2+]C[C@@]1(C[N@@H+](C)C(C)C)CCCOC1 ZINC000111323991 186396579 /nfs/dbraw/zinc/39/65/79/186396579.db2.gz BTPHUANLFSQAMZ-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP COCC[N@@H+](CC(C)C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326498 186398839 /nfs/dbraw/zinc/39/88/39/186398839.db2.gz SZYBHZYSSLNDHK-KRWDZBQOSA-N 2 1 298.471 2.140 10 0 CEAEMP Cc1cc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630530161 351774008 /nfs/dbraw/zinc/77/40/08/351774008.db2.gz ZCRBMVPBBXIHKJ-GHMZBOCLSA-N 2 1 288.317 2.057 10 0 CEAEMP [NH3+]C1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000333160181 283413233 /nfs/dbraw/zinc/41/32/33/283413233.db2.gz NTJZXOIRUCCUOV-BACDZXNISA-N 3 1 291.414 2.131 10 0 CEAEMP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400724675 299305233 /nfs/dbraw/zinc/30/52/33/299305233.db2.gz PCZDTKFJDCDELI-ZNMIVQPWSA-N 2 1 277.412 2.004 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCn3ccnc3)C2)[nH+]1 ZINC000183180438 189349131 /nfs/dbraw/zinc/34/91/31/189349131.db2.gz OTEFJXSAHRXPCD-INIZCTEOSA-N 2 1 299.422 2.411 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCn3ccnc3)C2)[nH+]1 ZINC000183180438 189349132 /nfs/dbraw/zinc/34/91/32/189349132.db2.gz OTEFJXSAHRXPCD-INIZCTEOSA-N 2 1 299.422 2.411 10 0 CEAEMP C[C@H](CC1CCCC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679038236 541208939 /nfs/dbraw/zinc/20/89/39/541208939.db2.gz HJMFHYHBMJYUNB-CYBMUJFWSA-N 2 1 254.418 2.002 10 0 CEAEMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813040 364110714 /nfs/dbraw/zinc/11/07/14/364110714.db2.gz BWIHZTLOGKCUMK-OAHLLOKOSA-N 2 1 299.422 2.366 10 0 CEAEMP Cc1nn(C)cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813040 364110715 /nfs/dbraw/zinc/11/07/15/364110715.db2.gz BWIHZTLOGKCUMK-OAHLLOKOSA-N 2 1 299.422 2.366 10 0 CEAEMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Br)c1 ZINC000095072269 364332319 /nfs/dbraw/zinc/33/23/19/364332319.db2.gz QDBBYYBANVQLMT-GHMZBOCLSA-N 2 1 284.201 2.204 10 0 CEAEMP c1n[nH]cc1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680145308 541371747 /nfs/dbraw/zinc/37/17/47/541371747.db2.gz NUFJRHYRQLGBAE-BZSNNMDCSA-N 2 1 296.418 2.410 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178982740 368318055 /nfs/dbraw/zinc/31/80/55/368318055.db2.gz RPJIBFHLEFGALJ-MRXNPFEDSA-N 2 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)[nH+]1 ZINC000178982740 368318058 /nfs/dbraw/zinc/31/80/58/368318058.db2.gz RPJIBFHLEFGALJ-MRXNPFEDSA-N 3 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)[nH+]1 ZINC000178982740 368318060 /nfs/dbraw/zinc/31/80/60/368318060.db2.gz RPJIBFHLEFGALJ-MRXNPFEDSA-N 3 1 288.439 2.123 10 0 CEAEMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449723 296122258 /nfs/dbraw/zinc/12/22/58/296122258.db2.gz OKLAYQCNADKQFT-CABCVRRESA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449723 296122259 /nfs/dbraw/zinc/12/22/59/296122259.db2.gz OKLAYQCNADKQFT-CABCVRRESA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449723 296122260 /nfs/dbraw/zinc/12/22/60/296122260.db2.gz OKLAYQCNADKQFT-CABCVRRESA-N 3 1 267.461 2.229 10 0 CEAEMP CCC(=O)CC[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000190221948 369605558 /nfs/dbraw/zinc/60/55/58/369605558.db2.gz BUQPWEYYGFTIBL-CYBMUJFWSA-N 2 1 263.385 2.452 10 0 CEAEMP c1cc2c(cc1CN1CC[N@H+]3CCCC[C@@H]3C1)C[NH2+]CC2 ZINC000211869144 370164765 /nfs/dbraw/zinc/16/47/65/370164765.db2.gz OGKUDRFZNNBNNO-GOSISDBHSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc2c(cc1C[N@@H+]1CCN3CCCC[C@@H]3C1)C[NH2+]CC2 ZINC000211869144 370164771 /nfs/dbraw/zinc/16/47/71/370164771.db2.gz OGKUDRFZNNBNNO-GOSISDBHSA-N 2 1 285.435 2.002 10 0 CEAEMP c1cc2c(cc1C[N@H+]1CCN3CCCC[C@@H]3C1)C[NH2+]CC2 ZINC000211869144 370164775 /nfs/dbraw/zinc/16/47/75/370164775.db2.gz OGKUDRFZNNBNNO-GOSISDBHSA-N 2 1 285.435 2.002 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247136452 371069682 /nfs/dbraw/zinc/06/96/82/371069682.db2.gz VYPXURNRGMILLR-QLFBSQMISA-N 2 1 255.450 2.035 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000247136452 371069687 /nfs/dbraw/zinc/06/96/87/371069687.db2.gz VYPXURNRGMILLR-QLFBSQMISA-N 2 1 255.450 2.035 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705471 371707364 /nfs/dbraw/zinc/70/73/64/371707364.db2.gz CXCABVWRVHHJQO-NVXWUHKLSA-N 3 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)[nH+]1 ZINC000261705471 371707370 /nfs/dbraw/zinc/70/73/70/371707370.db2.gz CXCABVWRVHHJQO-NVXWUHKLSA-N 3 1 288.439 2.123 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000261658569 371696128 /nfs/dbraw/zinc/69/61/28/371696128.db2.gz YWERCUJDMZJNLB-NILFDRSVSA-N 2 1 280.799 2.388 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000261844827 371748446 /nfs/dbraw/zinc/74/84/46/371748446.db2.gz WBETWCVKQSJNIF-IACUBPJLSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]12 ZINC000261848813 371749794 /nfs/dbraw/zinc/74/97/94/371749794.db2.gz WKDPROQFHHPRIO-LEWSCRJBSA-N 2 1 290.798 2.157 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]12 ZINC000261848813 371749799 /nfs/dbraw/zinc/74/97/99/371749799.db2.gz WKDPROQFHHPRIO-LEWSCRJBSA-N 2 1 290.798 2.157 10 0 CEAEMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456969 373126813 /nfs/dbraw/zinc/12/68/13/373126813.db2.gz KXMUMPRFORGTFT-PMPSAXMXSA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456969 373126822 /nfs/dbraw/zinc/12/68/22/373126822.db2.gz KXMUMPRFORGTFT-PMPSAXMXSA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456969 373126830 /nfs/dbraw/zinc/12/68/30/373126830.db2.gz KXMUMPRFORGTFT-PMPSAXMXSA-N 3 1 267.461 2.229 10 0 CEAEMP [NH3+]C[C@]1(N2CCC[N@H+]3CCC[C@@H]3C2)CCC[C@@H](C2CC2)C1 ZINC000081642022 177835003 /nfs/dbraw/zinc/83/50/03/177835003.db2.gz DVZGCLATVYGECB-KURKYZTESA-N 2 1 291.483 2.454 10 0 CEAEMP CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]([NH+](CC(C)C)CC(C)C)C1 ZINC000093751232 184713958 /nfs/dbraw/zinc/71/39/58/184713958.db2.gz ARSKSOWFDLCEHA-WBVHZDCISA-N 2 1 297.487 2.377 10 0 CEAEMP C[NH2+][C@@H]1[C@H](C[N@H+]2CCCC[C@@H]2CCO)C(C)(C)OC1(C)C ZINC000094427595 184796629 /nfs/dbraw/zinc/79/66/29/184796629.db2.gz IBPCMPLZLLYWPQ-QLFBSQMISA-N 2 1 298.471 2.015 10 0 CEAEMP Cc1cc(N2CCC([N@@H+](C)CCO)CC2)c2ccccc2[nH+]1 ZINC000272187568 135102020 /nfs/dbraw/zinc/10/20/20/135102020.db2.gz KIDSRGMHRVDHLV-UHFFFAOYSA-N 2 1 299.418 2.436 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000381719052 395176675 /nfs/dbraw/zinc/17/66/75/395176675.db2.gz RHXFGIHSIBUOPW-OLZOCXBDSA-N 2 1 258.356 2.497 10 0 CEAEMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261938503 286696156 /nfs/dbraw/zinc/69/61/56/286696156.db2.gz MPAJQLMCVUKRLU-UYJHQMFVSA-N 2 1 298.496 2.407 10 0 CEAEMP CCOCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151117218 162303308 /nfs/dbraw/zinc/30/33/08/162303308.db2.gz UGAQFHMFCQFOFT-AWEZNQCLSA-N 2 1 263.385 2.160 10 0 CEAEMP CCOCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151117218 162303311 /nfs/dbraw/zinc/30/33/11/162303311.db2.gz UGAQFHMFCQFOFT-AWEZNQCLSA-N 2 1 263.385 2.160 10 0 CEAEMP c1csc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979781 165268923 /nfs/dbraw/zinc/26/89/23/165268923.db2.gz JNHINVGZIWIMDZ-CYBMUJFWSA-N 2 1 265.426 2.322 10 0 CEAEMP CCCCCC[C@@](C)(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020520453 171233929 /nfs/dbraw/zinc/23/39/29/171233929.db2.gz IUEQAMGFAQIVGK-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCc1ccncc1 ZINC000037491933 173232789 /nfs/dbraw/zinc/23/27/89/173232789.db2.gz KYQJDXAJVIKZLF-HNNXBMFYSA-N 2 1 261.413 2.478 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCc1ccncc1 ZINC000037491932 173232955 /nfs/dbraw/zinc/23/29/55/173232955.db2.gz KYQJDXAJVIKZLF-OAHLLOKOSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000261610391 287283235 /nfs/dbraw/zinc/28/32/35/287283235.db2.gz BEPHWAYVPBQGII-BFHYXJOUSA-N 2 1 254.418 2.251 10 0 CEAEMP CC(C)=CC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040673052 174371396 /nfs/dbraw/zinc/37/13/96/174371396.db2.gz ZQPYCGFVYZTOSE-INIZCTEOSA-N 2 1 265.445 2.101 10 0 CEAEMP CC(C)=CC[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000040673052 174371397 /nfs/dbraw/zinc/37/13/97/174371397.db2.gz ZQPYCGFVYZTOSE-INIZCTEOSA-N 2 1 265.445 2.101 10 0 CEAEMP CC[N@H+](C1CCN(C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747485 174392489 /nfs/dbraw/zinc/39/24/89/174392489.db2.gz BOFQTLJMTDDFBP-FKEKPDDDSA-N 3 1 279.472 2.464 10 0 CEAEMP CC[N@@H+](C1CCN(C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747485 174392490 /nfs/dbraw/zinc/39/24/90/174392490.db2.gz BOFQTLJMTDDFBP-FKEKPDDDSA-N 3 1 279.472 2.464 10 0 CEAEMP Cc1cccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750136 174395353 /nfs/dbraw/zinc/39/53/53/174395353.db2.gz PQOVHWOEDOJKGV-GOOCMWNKSA-N 2 1 260.381 2.328 10 0 CEAEMP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1F ZINC000311694697 414860424 /nfs/dbraw/zinc/86/04/24/414860424.db2.gz SUJBSSFBPCMDIZ-WCFLWFBJSA-N 2 1 264.344 2.003 10 0 CEAEMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1F ZINC000311694697 414860427 /nfs/dbraw/zinc/86/04/27/414860427.db2.gz SUJBSSFBPCMDIZ-WCFLWFBJSA-N 2 1 264.344 2.003 10 0 CEAEMP CCCC[N@H+](C)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817143 175112581 /nfs/dbraw/zinc/11/25/81/175112581.db2.gz RKOJYNNOUPAUPX-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CCCC[N@@H+](C)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817143 175112582 /nfs/dbraw/zinc/11/25/82/175112582.db2.gz RKOJYNNOUPAUPX-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@H]1CCCCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818532 175113917 /nfs/dbraw/zinc/11/39/17/175113917.db2.gz DLAXFWGAKYGDHE-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)CCC)OCCO2 ZINC000043884810 175117208 /nfs/dbraw/zinc/11/72/08/175117208.db2.gz BOQNLWISDCUAJQ-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)CCC)OCCO2 ZINC000043884810 175117209 /nfs/dbraw/zinc/11/72/09/175117209.db2.gz BOQNLWISDCUAJQ-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890420 175118160 /nfs/dbraw/zinc/11/81/60/175118160.db2.gz WHGKCFNODOERSW-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[C@@H](C)[N@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043896496 175119368 /nfs/dbraw/zinc/11/93/68/175119368.db2.gz ONIFDNURAKKNEY-QLFBSQMISA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[C@@H](C)[N@@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043896496 175119369 /nfs/dbraw/zinc/11/93/69/175119369.db2.gz ONIFDNURAKKNEY-QLFBSQMISA-N 2 1 284.444 2.381 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904632 175122473 /nfs/dbraw/zinc/12/24/73/175122473.db2.gz KONKTQWTHLKJTI-SOUVJXGZSA-N 2 1 282.428 2.135 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](CCC)CC1CC1 ZINC000043967499 175128604 /nfs/dbraw/zinc/12/86/04/175128604.db2.gz MAMUOBUECJCCQP-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](CCC)CC1CC1 ZINC000043967499 175128606 /nfs/dbraw/zinc/12/86/06/175128606.db2.gz MAMUOBUECJCCQP-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073256 175302861 /nfs/dbraw/zinc/30/28/61/175302861.db2.gz ZRNNDKIDIJSTHT-XHSDSOJGSA-N 2 1 266.429 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCN(C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135377 175312544 /nfs/dbraw/zinc/31/25/44/175312544.db2.gz QJUBFWXXQUNRQH-JYJNAYRXSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[N@@H+](CC[C@@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045224178 175331875 /nfs/dbraw/zinc/33/18/75/175331875.db2.gz VJDGYSKIORPGCN-MRXNPFEDSA-N 2 1 281.444 2.027 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000045276715 175346673 /nfs/dbraw/zinc/34/66/73/175346673.db2.gz PXFFIUXAUGMFDA-FMKPAKJESA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000045276715 175346674 /nfs/dbraw/zinc/34/66/74/175346674.db2.gz PXFFIUXAUGMFDA-FMKPAKJESA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045377977 175367659 /nfs/dbraw/zinc/36/76/59/175367659.db2.gz MSUZESXAGOIINJ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045377977 175367660 /nfs/dbraw/zinc/36/76/60/175367660.db2.gz MSUZESXAGOIINJ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379682 175369050 /nfs/dbraw/zinc/36/90/50/175369050.db2.gz YKBCBSLJEXCSPX-GUTXKFCHSA-N 2 1 270.417 2.310 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379682 175369052 /nfs/dbraw/zinc/36/90/52/175369052.db2.gz YKBCBSLJEXCSPX-GUTXKFCHSA-N 2 1 270.417 2.310 10 0 CEAEMP CCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045382176 175370336 /nfs/dbraw/zinc/37/03/36/175370336.db2.gz CAVWZEPLIKOUQN-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045382176 175370338 /nfs/dbraw/zinc/37/03/38/175370338.db2.gz CAVWZEPLIKOUQN-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382745 175371282 /nfs/dbraw/zinc/37/12/82/175371282.db2.gz YAQOYBNPCRUQRU-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382745 175371283 /nfs/dbraw/zinc/37/12/83/175371283.db2.gz YAQOYBNPCRUQRU-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@H+](CC)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045387060 175372967 /nfs/dbraw/zinc/37/29/67/175372967.db2.gz UBWQHLNVQYRAAU-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045387060 175372968 /nfs/dbraw/zinc/37/29/68/175372968.db2.gz UBWQHLNVQYRAAU-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)CCC)C(=O)OC ZINC000045387101 175373380 /nfs/dbraw/zinc/37/33/80/175373380.db2.gz GLXSNSMWDQMOGK-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)CCC)C(=O)OC ZINC000045387101 175373382 /nfs/dbraw/zinc/37/33/82/175373382.db2.gz GLXSNSMWDQMOGK-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H](CN[C@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277292 415670193 /nfs/dbraw/zinc/67/01/93/415670193.db2.gz YKSYOXBOQXABPF-ROUUACIJSA-N 2 1 299.462 2.240 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@@H](CN[C@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277290 415671121 /nfs/dbraw/zinc/67/11/21/415671121.db2.gz YKSYOXBOQXABPF-MSOLQXFVSA-N 2 1 299.462 2.240 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124164 176035496 /nfs/dbraw/zinc/03/54/96/176035496.db2.gz MESIQKMBIZHTJN-HRCADAONSA-N 2 1 286.460 2.267 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000071148763 176044608 /nfs/dbraw/zinc/04/46/08/176044608.db2.gz IEGAYEBJMGNPKS-HOTGVXAUSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@H]1CCCC[C@]1(CN)[N@@H+](CCOC)[C@@H](C)COC ZINC000071161956 176046085 /nfs/dbraw/zinc/04/60/85/176046085.db2.gz HYZQBFNCZDTOBG-HRCADAONSA-N 2 1 286.460 2.267 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000071161956 176046087 /nfs/dbraw/zinc/04/60/87/176046087.db2.gz HYZQBFNCZDTOBG-HRCADAONSA-N 2 1 286.460 2.267 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187859 176062038 /nfs/dbraw/zinc/06/20/38/176062038.db2.gz LAOXRNIQUHAMMB-XYPHTWIQSA-N 2 1 293.430 2.488 10 0 CEAEMP CCc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188395 176062450 /nfs/dbraw/zinc/06/24/50/176062450.db2.gz VXAFSUQFHFPTEK-PBHICJAKSA-N 2 1 275.440 2.132 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188139 176062698 /nfs/dbraw/zinc/06/26/98/176062698.db2.gz XHYWZQVXYGIQAM-FMKPAKJESA-N 2 1 279.428 2.250 10 0 CEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188213 176062744 /nfs/dbraw/zinc/06/27/44/176062744.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 2 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188213 176062745 /nfs/dbraw/zinc/06/27/45/176062745.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188213 176062746 /nfs/dbraw/zinc/06/27/46/176062746.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188213 176062747 /nfs/dbraw/zinc/06/27/47/176062747.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188213 176062748 /nfs/dbraw/zinc/06/27/48/176062748.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 3 1 267.461 2.024 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188774 176064028 /nfs/dbraw/zinc/06/40/28/176064028.db2.gz HNQUNFIVOFQYTE-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP C[NH2+][C@@H](C)c1ccccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189414 176064271 /nfs/dbraw/zinc/06/42/71/176064271.db2.gz PRNDLXBZCIPGKE-UONOGXRCSA-N 2 1 261.413 2.355 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189012 176064821 /nfs/dbraw/zinc/06/48/21/176064821.db2.gz BGOKIQAFQOGVDV-VQHPVUNQSA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188986 176064841 /nfs/dbraw/zinc/06/48/41/176064841.db2.gz OVWXUZIFTXXADT-ZMSDIMECSA-N 2 1 275.440 2.219 10 0 CEAEMP CCC[C@@H]1CC[C@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190579 176066783 /nfs/dbraw/zinc/06/67/83/176066783.db2.gz DBCAKVYFWDOSGU-FPCVCCKLSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190579 176066784 /nfs/dbraw/zinc/06/67/84/176066784.db2.gz DBCAKVYFWDOSGU-FPCVCCKLSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190579 176066786 /nfs/dbraw/zinc/06/67/86/176066786.db2.gz DBCAKVYFWDOSGU-FPCVCCKLSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[NH2+]C[C@](C)(CC)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191481 176069847 /nfs/dbraw/zinc/06/98/47/176069847.db2.gz GBBAHFDXDUYPFL-CVEARBPZSA-N 2 1 269.477 2.286 10 0 CEAEMP C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192420 176073852 /nfs/dbraw/zinc/07/38/52/176073852.db2.gz OIUNCPRVIIYHOA-OAGGEKHMSA-N 2 1 267.461 2.038 10 0 CEAEMP CCCCC[C@H](C)[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192247 176074050 /nfs/dbraw/zinc/07/40/50/176074050.db2.gz OTCOCGLPFMIKHH-JKSUJKDBSA-N 2 1 269.477 2.428 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1cc(C)ccc1C ZINC000071229010 176090946 /nfs/dbraw/zinc/09/09/46/176090946.db2.gz HEWCJGOZUCFXFF-UHFFFAOYSA-N 2 1 263.385 2.078 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1cc(C)ccc1C ZINC000071229010 176090947 /nfs/dbraw/zinc/09/09/47/176090947.db2.gz HEWCJGOZUCFXFF-UHFFFAOYSA-N 2 1 263.385 2.078 10 0 CEAEMP CCC[NH2+]CCCCCC[N@@H+](C)CCC[NH+](C)C ZINC000071290146 176110564 /nfs/dbraw/zinc/11/05/64/176110564.db2.gz OMPMEYALAOLYNG-UHFFFAOYSA-N 3 1 257.466 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[N@H+](C)CCCN(C)C ZINC000071290146 176110565 /nfs/dbraw/zinc/11/05/65/176110565.db2.gz OMPMEYALAOLYNG-UHFFFAOYSA-N 2 1 257.466 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[N@@H+](C)CCCN(C)C ZINC000071290146 176110567 /nfs/dbraw/zinc/11/05/67/176110567.db2.gz OMPMEYALAOLYNG-UHFFFAOYSA-N 2 1 257.466 2.430 10 0 CEAEMP CCC[N@@H+](CCCCCC[NH2+]CC)CCN(C)C ZINC000071289371 176110686 /nfs/dbraw/zinc/11/06/86/176110686.db2.gz HUCRDCUCGTWWGK-UHFFFAOYSA-N 2 1 257.466 2.430 10 0 CEAEMP COCCC[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)CCOC ZINC000071401904 176153957 /nfs/dbraw/zinc/15/39/57/176153957.db2.gz POQQFQHOZNVJJT-QGZVFWFLSA-N 2 1 294.439 2.452 10 0 CEAEMP C[C@@H](CC[NH3+])CCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000079194677 177442979 /nfs/dbraw/zinc/44/29/79/177442979.db2.gz KXWVZDWIVDMJAH-CQSZACIVSA-N 3 1 255.450 2.025 10 0 CEAEMP CCC1CCC([N@@H+](CCO)C[C@H]2CCC[NH2+]C2)CC1 ZINC000261999468 276221970 /nfs/dbraw/zinc/22/19/70/276221970.db2.gz TZDVSTJHTLYZHR-PCKAHOCUSA-N 2 1 268.445 2.249 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccsc2)CC1 ZINC000179517784 278395363 /nfs/dbraw/zinc/39/53/63/278395363.db2.gz WKJNFMMLIDNJMV-CYBMUJFWSA-N 2 1 282.453 2.273 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252775088 279323525 /nfs/dbraw/zinc/32/35/25/279323525.db2.gz JYYMZFJPKPVCIS-MAZHCROVSA-N 2 1 259.397 2.205 10 0 CEAEMP 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 280297775 /nfs/dbraw/zinc/29/77/75/280297775.db2.gz SIXCDIGAVJWVGN-LJIZCISZSA-N 2 1 295.471 2.093 10 0 CEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246505793 280297778 /nfs/dbraw/zinc/29/77/78/280297778.db2.gz SIXCDIGAVJWVGN-LJIZCISZSA-N 2 1 295.471 2.093 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1C ZINC000401859237 289288979 /nfs/dbraw/zinc/28/89/79/289288979.db2.gz WYFYJXYVTNTRDZ-LLVKDONJSA-N 2 1 275.400 2.147 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272848 313086341 /nfs/dbraw/zinc/08/63/41/313086341.db2.gz MZURLLMHXHEIDL-RYRKJORJSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272848 313086344 /nfs/dbraw/zinc/08/63/44/313086344.db2.gz MZURLLMHXHEIDL-RYRKJORJSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000577204739 314352265 /nfs/dbraw/zinc/35/22/65/314352265.db2.gz DDAUDCZHAZPHQC-UAGQMJEPSA-N 2 1 275.440 2.267 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711762 519720263 /nfs/dbraw/zinc/72/02/63/519720263.db2.gz OICJLWCRSTWHCH-CQSZACIVSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540110 519743232 /nfs/dbraw/zinc/74/32/32/519743232.db2.gz GLKAKDZZRSXVKD-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](CC)[C@@H](C)COC)CCOCC1 ZINC000052182330 519909900 /nfs/dbraw/zinc/90/99/00/519909900.db2.gz QSEHKMRFHVVPBT-HNNXBMFYSA-N 2 1 286.460 2.140 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540298 519913375 /nfs/dbraw/zinc/91/33/75/519913375.db2.gz FSNLPHSMRQXNIC-KKUMJFAQSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180790 519913198 /nfs/dbraw/zinc/91/31/98/519913198.db2.gz WDCACHYJPCOZBK-AWEZNQCLSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)CCOC)c(C)o1 ZINC000052572951 519945485 /nfs/dbraw/zinc/94/54/85/519945485.db2.gz RHBZBDDKGLKSRX-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP CC[NH2+]Cc1cn(CC[N@@H+](CC)CC(CC)CC)nn1 ZINC000052540678 520012873 /nfs/dbraw/zinc/01/28/73/520012873.db2.gz NSMLAVLGHRDKBU-UHFFFAOYSA-N 2 1 281.448 2.146 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CC)C1CCCC1)C(N)=O ZINC000068624543 520041786 /nfs/dbraw/zinc/04/17/86/520041786.db2.gz RXYYVUZMNDMGHK-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CC)C1CCCC1)C(N)=O ZINC000068624543 520041795 /nfs/dbraw/zinc/04/17/95/520041795.db2.gz RXYYVUZMNDMGHK-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](CCC)CC1CC1)C(N)=O ZINC000068632045 520044060 /nfs/dbraw/zinc/04/40/60/520044060.db2.gz MCDVQEYQKPSSLU-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CCC)CC1CC1)C(N)=O ZINC000068632045 520044068 /nfs/dbraw/zinc/04/40/68/520044068.db2.gz MCDVQEYQKPSSLU-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000054560321 520120823 /nfs/dbraw/zinc/12/08/23/520120823.db2.gz LYLZDKCRXVEJHH-QBPKDAKJSA-N 2 1 282.472 2.494 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](CC)Cc1cccs1 ZINC000062741044 520515953 /nfs/dbraw/zinc/51/59/53/520515953.db2.gz MTNDQGOONUTTOQ-LBPRGKRZSA-N 2 1 256.415 2.324 10 0 CEAEMP CC[N@@H+](CCOC)Cc1ccoc1C[NH2+]C(C)C ZINC000052542693 521135412 /nfs/dbraw/zinc/13/54/12/521135412.db2.gz WXGJFTGEJMBDOM-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP C[NH2+][C@@H](C)c1sc(N2CC[NH+](C3CC3)CC2)nc1C ZINC000054909489 522342161 /nfs/dbraw/zinc/34/21/61/522342161.db2.gz MDYNDLADUGRDQY-JTQLQIEISA-N 2 1 280.441 2.016 10 0 CEAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000050953920 518383947 /nfs/dbraw/zinc/38/39/47/518383947.db2.gz IEFXGTQNGPUAPD-JKSUJKDBSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)CCC1CC[NH2+]CC1 ZINC000050951970 519614552 /nfs/dbraw/zinc/61/45/52/519614552.db2.gz LOHJIAAHBLBSAV-UHFFFAOYSA-N 2 1 283.460 2.003 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccnc2)O1 ZINC000052479524 519724031 /nfs/dbraw/zinc/72/40/31/519724031.db2.gz BQKIOLREAFRCPU-JKSUJKDBSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673641 519725877 /nfs/dbraw/zinc/72/58/77/519725877.db2.gz GMKDMHJULCUCKY-ARFHVFGLSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069311304 519745014 /nfs/dbraw/zinc/74/50/14/519745014.db2.gz NVNZFAHEMOEVOY-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069311304 519745015 /nfs/dbraw/zinc/74/50/15/519745015.db2.gz NVNZFAHEMOEVOY-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054628646 519908421 /nfs/dbraw/zinc/90/84/21/519908421.db2.gz ZOUWJTOYNWXVRT-BMRXWSCTSA-N 2 1 266.429 2.285 10 0 CEAEMP CC[NH2+]CC1(C[N@H+](C)Cc2ccco2)CCOCC1 ZINC000052181553 519911748 /nfs/dbraw/zinc/91/17/48/519911748.db2.gz JONSQLLIBUOLLK-UHFFFAOYSA-N 2 1 266.385 2.118 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)Cc2ccco2)CCOCC1 ZINC000052181553 519911750 /nfs/dbraw/zinc/91/17/50/519911750.db2.gz JONSQLLIBUOLLK-UHFFFAOYSA-N 2 1 266.385 2.118 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccsc2)O1 ZINC000052457380 519952097 /nfs/dbraw/zinc/95/20/97/519952097.db2.gz WNRHAEJJTIRMOK-KBPBESRZSA-N 2 1 268.426 2.337 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccs2)O1 ZINC000052456353 519977104 /nfs/dbraw/zinc/97/71/04/519977104.db2.gz BVKVGVLMPYIJGR-OLZOCXBDSA-N 2 1 268.426 2.337 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643381 519985206 /nfs/dbraw/zinc/98/52/06/519985206.db2.gz VMAFYDQXRFNLFM-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)C2CCN(C)CC2)c1 ZINC000052419808 520003536 /nfs/dbraw/zinc/00/35/36/520003536.db2.gz IOXIUCBMWSPEQB-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(CN(C)C2CC[NH+](C)CC2)c1 ZINC000052419808 520003545 /nfs/dbraw/zinc/00/35/45/520003545.db2.gz IOXIUCBMWSPEQB-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380880 520008146 /nfs/dbraw/zinc/00/81/46/520008146.db2.gz NVBNBQSTLVNZNE-OKILXGFUSA-N 2 1 262.397 2.405 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)CC1CC1)OCCO2 ZINC000069237784 520091961 /nfs/dbraw/zinc/09/19/61/520091961.db2.gz YVTJMQCPJIDPEY-HOTGVXAUSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)CC1CC1)OCCO2 ZINC000069237784 520091968 /nfs/dbraw/zinc/09/19/68/520091968.db2.gz YVTJMQCPJIDPEY-HOTGVXAUSA-N 2 1 296.455 2.382 10 0 CEAEMP CCCCC[N@@H+](CCn1cc(C[NH2+]CC)nn1)C(C)C ZINC000052544803 520174196 /nfs/dbraw/zinc/17/41/96/520174196.db2.gz JAZWNTRVDXBNHV-UHFFFAOYSA-N 2 1 281.448 2.288 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000068645375 520240997 /nfs/dbraw/zinc/24/09/97/520240997.db2.gz ZBOYJLLGNLJYSA-GOEBONIOSA-N 2 1 295.471 2.275 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000062740786 520516771 /nfs/dbraw/zinc/51/67/71/520516771.db2.gz MEYUAZRFSALBAA-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP CCC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[NH2+]1 ZINC000068692491 520840464 /nfs/dbraw/zinc/84/04/64/520840464.db2.gz WHFOGZXOXQDHAL-CQSZACIVSA-N 2 1 277.412 2.281 10 0 CEAEMP CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069237262 520964244 /nfs/dbraw/zinc/96/42/44/520964244.db2.gz GHJUCKCZJSINPD-LBPRGKRZSA-N 2 1 275.396 2.204 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000069446804 521300828 /nfs/dbraw/zinc/30/08/28/521300828.db2.gz LYEXCJLDFBNMGT-OAHLLOKOSA-N 2 1 271.449 2.129 10 0 CEAEMP CCC(CC)(C[NH2+]C(C)(C)C)C[N@H+]1CC[C@@H](O)C1 ZINC000061711752 521439173 /nfs/dbraw/zinc/43/91/73/521439173.db2.gz GYWMRLOEGHKUFK-CYBMUJFWSA-N 2 1 256.434 2.248 10 0 CEAEMP CCC[N@@H+](CC1(C[NH2+]CC)CCOCC1)C1CC1 ZINC000052181420 521618522 /nfs/dbraw/zinc/61/85/22/521618522.db2.gz LYQVAORTTMXLTO-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[NH+]1CCN(c2nc(C(C)(C)C)c(C[NH2+]C)s2)CC1 ZINC000054994828 521699873 /nfs/dbraw/zinc/69/98/73/521699873.db2.gz NHPDASXALOHQPL-UHFFFAOYSA-N 2 1 296.484 2.302 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H](C)[NH2+]CC2(C)C)c1C ZINC000068698158 521813223 /nfs/dbraw/zinc/81/32/23/521813223.db2.gz NJXXPVCHONVSKF-LBPRGKRZSA-N 2 1 277.412 2.279 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC(C)C)CN(C)C ZINC000054628823 521956859 /nfs/dbraw/zinc/95/68/59/521956859.db2.gz LCLFADMOIWEUJM-UYTSQGDYSA-N 2 1 267.461 2.178 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC(C)C)CN(C)C ZINC000054628823 521956865 /nfs/dbraw/zinc/95/68/65/521956865.db2.gz LCLFADMOIWEUJM-UYTSQGDYSA-N 2 1 267.461 2.178 10 0 CEAEMP C[NH2+]CCCCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702392 521995038 /nfs/dbraw/zinc/99/50/38/521995038.db2.gz KGAFXOKCKXAOBH-MRXNPFEDSA-N 2 1 262.397 2.277 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000052482299 522109079 /nfs/dbraw/zinc/10/90/79/522109079.db2.gz WCHYMIISLYDMRI-CHWSQXEVSA-N 2 1 263.385 2.406 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000052482299 522109084 /nfs/dbraw/zinc/10/90/84/522109084.db2.gz WCHYMIISLYDMRI-CHWSQXEVSA-N 2 1 263.385 2.406 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507702 522133331 /nfs/dbraw/zinc/13/33/31/522133331.db2.gz ACHZZLWDUUQVSL-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453643 522133665 /nfs/dbraw/zinc/13/36/65/522133665.db2.gz TXVJPUWQXJBRIC-AWEZNQCLSA-N 2 1 250.411 2.343 10 0 CEAEMP C[NH2+]Cc1coc(C[N@@H+](CCOC)[C@H](C)C2CC2)c1 ZINC000052545400 522148214 /nfs/dbraw/zinc/14/82/14/522148214.db2.gz NDPXHPMLCQYOHV-GFCCVEGCSA-N 2 1 266.385 2.246 10 0 CEAEMP COC1CC[NH+]([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624603 522706510 /nfs/dbraw/zinc/70/65/10/522706510.db2.gz YRVFJWLJLQGQKX-HNNXBMFYSA-N 2 1 262.397 2.057 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052346359 523227796 /nfs/dbraw/zinc/22/77/96/523227796.db2.gz QBEVSVZHWVIKQR-KGLIPLIRSA-N 2 1 268.788 2.278 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(C[NH3+])c1 ZINC000068749602 523252466 /nfs/dbraw/zinc/25/24/66/523252466.db2.gz PXFJQNHAINMMOY-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@H+]1C ZINC000068812063 523301473 /nfs/dbraw/zinc/30/14/73/523301473.db2.gz UGVDLAULGDDLHI-GJZGRUSLSA-N 2 1 287.407 2.459 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570856 523342181 /nfs/dbraw/zinc/34/21/81/523342181.db2.gz OJCRSDWERWWEQV-BBRMVZONSA-N 2 1 262.397 2.405 10 0 CEAEMP CCn1cc(C[N@@H+](CCC[NH3+])C2CCCCC2)cn1 ZINC000050539175 523365273 /nfs/dbraw/zinc/36/52/73/523365273.db2.gz PZNISSWMDIMVOU-UHFFFAOYSA-N 2 1 264.417 2.387 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642537 523367792 /nfs/dbraw/zinc/36/77/92/523367792.db2.gz USWSIGFDDOHJFA-KLHDSHLOSA-N 2 1 267.461 2.166 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061642537 523367797 /nfs/dbraw/zinc/36/77/97/523367797.db2.gz USWSIGFDDOHJFA-KLHDSHLOSA-N 2 1 267.461 2.166 10 0 CEAEMP CC[C@]1(C)CN(Cc2[nH+]cc(C)c(OC)c2C)CC[NH2+]1 ZINC000068693133 523577213 /nfs/dbraw/zinc/57/72/13/523577213.db2.gz KMICLNLOLSEFCH-MRXNPFEDSA-N 2 1 277.412 2.281 10 0 CEAEMP COCC[N@@H+]([C@@H](C)CC[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545475 523780416 /nfs/dbraw/zinc/78/04/16/523780416.db2.gz GVOOMEFREBTRIA-STQMWFEESA-N 2 1 254.418 2.264 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055125532 526248285 /nfs/dbraw/zinc/24/82/85/526248285.db2.gz NOTCOXKWTPGCSE-JYJNAYRXSA-N 2 1 295.471 2.275 10 0 CEAEMP Cc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)sc1C[NH2+]C(C)C ZINC000054998287 526951546 /nfs/dbraw/zinc/95/15/46/526951546.db2.gz GPQHWANVFGQQCC-CYBMUJFWSA-N 2 1 296.484 2.480 10 0 CEAEMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)c(F)c1 ZINC000052758460 527253249 /nfs/dbraw/zinc/25/32/49/527253249.db2.gz VSONPLQREYPMNK-CQSZACIVSA-N 2 1 266.360 2.021 10 0 CEAEMP [NH3+]Cc1ccc(F)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000069401415 527254817 /nfs/dbraw/zinc/25/48/17/527254817.db2.gz JPFIYIYTBOYGFM-UHFFFAOYSA-N 2 1 280.387 2.411 10 0 CEAEMP [NH3+]Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702140 527260254 /nfs/dbraw/zinc/26/02/54/527260254.db2.gz RQHHSHCVTGVSSP-INIZCTEOSA-N 2 1 283.375 2.194 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCCC2)cc1 ZINC000399678192 574420804 /nfs/dbraw/zinc/42/08/04/574420804.db2.gz VVMXFOVWHCQZBP-DFNIBXOVSA-N 2 1 299.462 2.192 10 0 CEAEMP CC1(C)C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1(C)C ZINC000757148521 574510586 /nfs/dbraw/zinc/51/05/86/574510586.db2.gz UUKNVOSDAJGDRW-UHFFFAOYSA-N 2 1 252.402 2.366 10 0 CEAEMP C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919595 624695542 /nfs/dbraw/zinc/69/55/42/624695542.db2.gz XPPTWZJWKDCAFZ-KKUMJFAQSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000094088113 628756138 /nfs/dbraw/zinc/75/61/38/628756138.db2.gz QFLDVRIBIRKTGT-PRLABOORSA-N 3 1 267.461 2.356 10 0 CEAEMP Cc1cc(C)cc([C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000133474566 652630969 /nfs/dbraw/zinc/63/09/69/652630969.db2.gz DNNNZGSERCMJKH-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1cc(C)cc([C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000133474566 652630973 /nfs/dbraw/zinc/63/09/73/652630973.db2.gz DNNNZGSERCMJKH-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1cc(C)cc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000133474566 652630974 /nfs/dbraw/zinc/63/09/74/652630974.db2.gz DNNNZGSERCMJKH-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1cc(C)cc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000133474566 652630976 /nfs/dbraw/zinc/63/09/76/652630976.db2.gz DNNNZGSERCMJKH-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP CC[NH2+]Cc1sc(N2CC[NH+](C)CC2)nc1C(C)C ZINC000082434890 178012192 /nfs/dbraw/zinc/01/21/92/178012192.db2.gz PBUJTPKPMSZDHR-UHFFFAOYSA-N 2 1 282.457 2.128 10 0 CEAEMP C[N@@H+](C[C@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412802 539030919 /nfs/dbraw/zinc/03/09/19/539030919.db2.gz HBLSKSBLZIPFTE-SRXPKIRMSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394412802 539030920 /nfs/dbraw/zinc/03/09/20/539030920.db2.gz HBLSKSBLZIPFTE-SRXPKIRMSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394412802 539030922 /nfs/dbraw/zinc/03/09/22/539030922.db2.gz HBLSKSBLZIPFTE-SRXPKIRMSA-N 2 1 266.429 2.095 10 0 CEAEMP c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000123948833 539179632 /nfs/dbraw/zinc/17/96/32/539179632.db2.gz YAFJVZSSYLXNBE-ZWKOTPCHSA-N 2 1 286.419 2.476 10 0 CEAEMP CC(C)(C)OC(=O)c1cccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000725270905 539215237 /nfs/dbraw/zinc/21/52/37/539215237.db2.gz UYFYCCKTDJMKPO-KGLIPLIRSA-N 2 1 276.380 2.046 10 0 CEAEMP Cc1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000336720593 365784374 /nfs/dbraw/zinc/78/43/74/365784374.db2.gz UILGGJYAAXGFCG-KRWDZBQOSA-N 2 1 298.434 2.340 10 0 CEAEMP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000328622629 344755823 /nfs/dbraw/zinc/75/58/23/344755823.db2.gz BKJDGFAUVSXEIU-DZGCQCFKSA-N 2 1 277.412 2.240 10 0 CEAEMP C[C@H]1CCC[N@H+]1CCCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085215460 178979081 /nfs/dbraw/zinc/97/90/81/178979081.db2.gz HZLPJNCIPKGQEN-ZFWWWQNUSA-N 2 1 254.418 2.144 10 0 CEAEMP CC[N@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CCCC1 ZINC000085300150 179010619 /nfs/dbraw/zinc/01/06/19/179010619.db2.gz FZDATNZGDSLETO-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP CC[N@@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CCCC1 ZINC000085300150 179010621 /nfs/dbraw/zinc/01/06/21/179010621.db2.gz FZDATNZGDSLETO-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP C[NH2+]CCc1ccc(C[N@H+]2CCS[C@H](C)C2)cc1 ZINC000097806969 185670224 /nfs/dbraw/zinc/67/02/24/185670224.db2.gz PYQKRGIJGVTKMX-CYBMUJFWSA-N 2 1 264.438 2.386 10 0 CEAEMP CC(C)c1nc2c(n1[C@H]1CC[N@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573032 179097923 /nfs/dbraw/zinc/09/79/23/179097923.db2.gz VXIUCKASGVNDOV-ZDUSSCGKSA-N 2 1 274.412 2.061 10 0 CEAEMP C[C@]1(C2CC2)C[N@H+](CCC(F)(F)F)CCC[NH2+]1 ZINC000085613063 179102611 /nfs/dbraw/zinc/10/26/11/179102611.db2.gz DVARRBACQKLAQK-LLVKDONJSA-N 2 1 250.308 2.403 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCC(F)(F)F)CCC[NH2+]1 ZINC000085613063 179102612 /nfs/dbraw/zinc/10/26/12/179102612.db2.gz DVARRBACQKLAQK-LLVKDONJSA-N 2 1 250.308 2.403 10 0 CEAEMP C(C1CCOCC1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612732 179102626 /nfs/dbraw/zinc/10/26/26/179102626.db2.gz CHLADMBVVARUAX-UHFFFAOYSA-N 2 1 252.402 2.021 10 0 CEAEMP c1cc(CC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)cs1 ZINC000085616161 179104246 /nfs/dbraw/zinc/10/42/46/179104246.db2.gz TWVOPBANVBXNTK-CQSZACIVSA-N 2 1 250.411 2.365 10 0 CEAEMP c1cc(CC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)cs1 ZINC000085616161 179104249 /nfs/dbraw/zinc/10/42/49/179104249.db2.gz TWVOPBANVBXNTK-CQSZACIVSA-N 2 1 250.411 2.365 10 0 CEAEMP c1cnn(CC[N@@H+]2CCC[NH2+][C@H](C3CCCCC3)C2)c1 ZINC000085615185 179104461 /nfs/dbraw/zinc/10/44/61/179104461.db2.gz KEXMFHCWNVCTOW-INIZCTEOSA-N 2 1 276.428 2.127 10 0 CEAEMP c1cnn(CC[N@H+]2CCC[NH2+][C@H](C3CCCCC3)C2)c1 ZINC000085615185 179104463 /nfs/dbraw/zinc/10/44/63/179104463.db2.gz KEXMFHCWNVCTOW-INIZCTEOSA-N 2 1 276.428 2.127 10 0 CEAEMP c1ccc2c(c1)CCO[C@H]2C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616211 179104629 /nfs/dbraw/zinc/10/46/29/179104629.db2.gz ZUOLJMZKNQCALV-ROUUACIJSA-N 2 1 286.419 2.374 10 0 CEAEMP c1ccc2c(c1)CCO[C@H]2C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616211 179104630 /nfs/dbraw/zinc/10/46/30/179104630.db2.gz ZUOLJMZKNQCALV-ROUUACIJSA-N 2 1 286.419 2.374 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085623377 179105441 /nfs/dbraw/zinc/10/54/41/179105441.db2.gz VQEIUJLLVQAQFJ-KBPBESRZSA-N 2 1 252.402 2.020 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086173701 179244214 /nfs/dbraw/zinc/24/42/14/179244214.db2.gz QQPPEAIKAZMYBL-OAGGEKHMSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C(C)C)NC[C@@H]2C)CC1 ZINC000086173694 179244713 /nfs/dbraw/zinc/24/47/13/179244713.db2.gz JVEAOPOKGVOLFJ-HOCLYGCPSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086173694 179244716 /nfs/dbraw/zinc/24/47/16/179244716.db2.gz JVEAOPOKGVOLFJ-HOCLYGCPSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1CN[C@@H](C)C[N@H+]1CCCC[NH+](C)C(C)C ZINC000086174319 179246007 /nfs/dbraw/zinc/24/60/07/179246007.db2.gz DHLDPFQEXONBIR-LSDHHAIUSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1CN[C@@H](C)C[NH+]1CCCC[N@H+](C)C(C)C ZINC000086174319 179246008 /nfs/dbraw/zinc/24/60/08/179246008.db2.gz DHLDPFQEXONBIR-LSDHHAIUSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1CN[C@@H](C)C[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086174319 179246010 /nfs/dbraw/zinc/24/60/10/179246010.db2.gz DHLDPFQEXONBIR-LSDHHAIUSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C)CN1CCCC[N@H+](C)C(C)C ZINC000086174319 179246012 /nfs/dbraw/zinc/24/60/12/179246012.db2.gz DHLDPFQEXONBIR-LSDHHAIUSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C)CN1CCCC[N@@H+](C)C(C)C ZINC000086174319 179246013 /nfs/dbraw/zinc/24/60/13/179246013.db2.gz DHLDPFQEXONBIR-LSDHHAIUSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223064 179250577 /nfs/dbraw/zinc/25/05/77/179250577.db2.gz NFJAGYOXHOXUAL-IXDOHACOSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+]C(CC)(CC)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223094 179250598 /nfs/dbraw/zinc/25/05/98/179250598.db2.gz OUPMFZNXFDWWRO-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223018 179251281 /nfs/dbraw/zinc/25/12/81/179251281.db2.gz NDESTCBSEFKPDJ-USXIJHARSA-N 2 1 279.472 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223987 179252856 /nfs/dbraw/zinc/25/28/56/179252856.db2.gz MGPTTXKCUUSMIR-JQHSSLGASA-N 2 1 287.451 2.290 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224022 179253175 /nfs/dbraw/zinc/25/31/75/179253175.db2.gz NZYRDGAJAQXFBV-OWCLPIDISA-N 2 1 281.488 2.425 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CC3(CCCC3)NC[C@@H]2C)CC1 ZINC000086259175 179258188 /nfs/dbraw/zinc/25/81/88/179258188.db2.gz RSLCPQBEDIJJCL-HNNXBMFYSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[NH+]1CCC(CN2CC3(CCCC3)[NH2+]C[C@@H]2C)CC1 ZINC000086259175 179258189 /nfs/dbraw/zinc/25/81/89/179258189.db2.gz RSLCPQBEDIJJCL-HNNXBMFYSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259261 179258508 /nfs/dbraw/zinc/25/85/08/179258508.db2.gz NMODZGHGFFQCMW-KFWWJZLASA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[N@H+](CCc2ccccc2F)CCC[NH2+]1 ZINC000086285749 179263509 /nfs/dbraw/zinc/26/35/09/179263509.db2.gz INDQVUMUJCHDOE-AWEZNQCLSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@H]1C[N@@H+](CCc2ccccc2F)CCC[NH2+]1 ZINC000086285749 179263510 /nfs/dbraw/zinc/26/35/10/179263510.db2.gz INDQVUMUJCHDOE-AWEZNQCLSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086288664 179264339 /nfs/dbraw/zinc/26/43/39/179264339.db2.gz GRYZHYVUWIYECD-ARFHVFGLSA-N 2 1 267.461 2.038 10 0 CEAEMP COCCCC[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086291736 179266664 /nfs/dbraw/zinc/26/66/64/179266664.db2.gz RHCMKBHXNCFHTK-UHFFFAOYSA-N 2 1 254.418 2.411 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291564 179266831 /nfs/dbraw/zinc/26/68/31/179266831.db2.gz WVLJDNWROQIARW-OAGGEKHMSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC1(CC)C[N@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293597 179267821 /nfs/dbraw/zinc/26/78/21/179267821.db2.gz PHDBOCQQZVTNPJ-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@]1(C2CC2)C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297924 179268538 /nfs/dbraw/zinc/26/85/38/179268538.db2.gz PFYLXWQWYRHQDE-AWEZNQCLSA-N 2 1 265.426 2.150 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297924 179268539 /nfs/dbraw/zinc/26/85/39/179268539.db2.gz PFYLXWQWYRHQDE-AWEZNQCLSA-N 2 1 265.426 2.150 10 0 CEAEMP CC[C@@]1(C)C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298000 179268822 /nfs/dbraw/zinc/26/88/22/179268822.db2.gz BEOIERCSOAKBBZ-HNNXBMFYSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298000 179268826 /nfs/dbraw/zinc/26/88/26/179268826.db2.gz BEOIERCSOAKBBZ-HNNXBMFYSA-N 2 1 254.418 2.410 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)[C@@H]1Cc2ccccc21 ZINC000086488957 179302501 /nfs/dbraw/zinc/30/25/01/179302501.db2.gz GHKRXBXVWRKJHS-GDBMZVCRSA-N 2 1 253.349 2.134 10 0 CEAEMP CCc1ccc(N(C)[C@@]2(C[NH3+])CCC[N@@H+](C)CC2)cc1 ZINC000086819515 179348247 /nfs/dbraw/zinc/34/82/47/179348247.db2.gz ZMLJITLSYATCEU-KRWDZBQOSA-N 2 1 275.440 2.498 10 0 CEAEMP CCN(c1cccc(F)c1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819496 179348868 /nfs/dbraw/zinc/34/88/68/179348868.db2.gz JDIAPHXFSHSZCO-MRXNPFEDSA-N 2 1 279.403 2.465 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[NH+](C)CC1 ZINC000086817117 179345465 /nfs/dbraw/zinc/34/54/65/179345465.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@H+](C)CC1 ZINC000086817117 179345467 /nfs/dbraw/zinc/34/54/67/179345467.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817117 179345470 /nfs/dbraw/zinc/34/54/70/179345470.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[NH+](C)CC1 ZINC000086817117 179345471 /nfs/dbraw/zinc/34/54/71/179345471.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[NH+](C)CC1 ZINC000086817117 179345473 /nfs/dbraw/zinc/34/54/73/179345473.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817117 179345476 /nfs/dbraw/zinc/34/54/76/179345476.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817117 179345477 /nfs/dbraw/zinc/34/54/77/179345477.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 3 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847137 179355996 /nfs/dbraw/zinc/35/59/96/179355996.db2.gz GPLHQCASCGMYPX-KRWDZBQOSA-N 2 1 290.455 2.107 10 0 CEAEMP CCOC1CCN([C@@]2(C[NH3+])CCC[N@H+](C(C)C)CC2)CC1 ZINC000086847419 179356583 /nfs/dbraw/zinc/35/65/83/179356583.db2.gz UDFMOQSOTAQCIN-KRWDZBQOSA-N 2 1 297.487 2.079 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000086848268 179356655 /nfs/dbraw/zinc/35/66/55/179356655.db2.gz ICYLQQCSIBPIJC-NVXWUHKLSA-N 2 1 297.487 2.078 10 0 CEAEMP CCN(C1CCCC1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847024 179357006 /nfs/dbraw/zinc/35/70/06/179357006.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+](C1CCCC1)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086847024 179357007 /nfs/dbraw/zinc/35/70/07/179357007.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+](C1CCCC1)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086847024 179357008 /nfs/dbraw/zinc/35/70/08/179357008.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCC1)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086847024 179357012 /nfs/dbraw/zinc/35/70/12/179357012.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCC1)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086847024 179357013 /nfs/dbraw/zinc/35/70/13/179357013.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)CC1 ZINC000086839902 179351502 /nfs/dbraw/zinc/35/15/02/179351502.db2.gz GHZNBCXVTKVVPC-GJZGRUSLSA-N 2 1 283.460 2.097 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)CC1 ZINC000086839902 179351504 /nfs/dbraw/zinc/35/15/04/179351504.db2.gz GHZNBCXVTKVVPC-GJZGRUSLSA-N 2 1 283.460 2.097 10 0 CEAEMP CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842876 179353175 /nfs/dbraw/zinc/35/31/75/179353175.db2.gz BZFFZXPRRGSJGU-HZPDHXFCSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842876 179353177 /nfs/dbraw/zinc/35/31/77/179353177.db2.gz BZFFZXPRRGSJGU-HZPDHXFCSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842876 179353179 /nfs/dbraw/zinc/35/31/79/179353179.db2.gz BZFFZXPRRGSJGU-HZPDHXFCSA-N 2 1 269.477 2.425 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840515 179353447 /nfs/dbraw/zinc/35/34/47/179353447.db2.gz MWZBLUXOTOQWFV-GJZGRUSLSA-N 2 1 264.417 2.126 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840838 179353923 /nfs/dbraw/zinc/35/39/23/179353923.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840838 179353924 /nfs/dbraw/zinc/35/39/24/179353924.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840838 179353927 /nfs/dbraw/zinc/35/39/27/179353927.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840838 179353929 /nfs/dbraw/zinc/35/39/29/179353929.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 3 1 279.472 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840838 179353931 /nfs/dbraw/zinc/35/39/31/179353931.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 3 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840838 179353932 /nfs/dbraw/zinc/35/39/32/179353932.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 3 1 279.472 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840838 179353934 /nfs/dbraw/zinc/35/39/34/179353934.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 3 1 279.472 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843374 179353985 /nfs/dbraw/zinc/35/39/85/179353985.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843374 179353986 /nfs/dbraw/zinc/35/39/86/179353986.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843374 179353989 /nfs/dbraw/zinc/35/39/89/179353989.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843374 179353991 /nfs/dbraw/zinc/35/39/91/179353991.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843374 179353992 /nfs/dbraw/zinc/35/39/92/179353992.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843374 179353995 /nfs/dbraw/zinc/35/39/95/179353995.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843374 179353998 /nfs/dbraw/zinc/35/39/98/179353998.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCc2nccs2)CC1 ZINC000086844780 179354469 /nfs/dbraw/zinc/35/44/69/179354469.db2.gz QICJLMQPMRYTPF-LBPRGKRZSA-N 2 1 253.415 2.150 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CC)C2CC2)CC1 ZINC000086846684 179354600 /nfs/dbraw/zinc/35/46/00/179354600.db2.gz UBPIRUXRSRFWQY-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)CC(C)C)CC1 ZINC000086846824 179355327 /nfs/dbraw/zinc/35/53/27/179355327.db2.gz GHZOOZFKWUAKBY-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+](C)CC(C)C)CC1 ZINC000086846824 179355328 /nfs/dbraw/zinc/35/53/28/179355328.db2.gz GHZOOZFKWUAKBY-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CN)([NH+](C)CC(C)C)CC1 ZINC000086846824 179355329 /nfs/dbraw/zinc/35/53/29/179355329.db2.gz GHZOOZFKWUAKBY-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@H+](C)CC(C)C)CC1 ZINC000086846824 179355330 /nfs/dbraw/zinc/35/53/30/179355330.db2.gz GHZOOZFKWUAKBY-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+](C)CC(C)C)CC1 ZINC000086846824 179355332 /nfs/dbraw/zinc/35/53/32/179355332.db2.gz GHZOOZFKWUAKBY-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846135 179355563 /nfs/dbraw/zinc/35/55/63/179355563.db2.gz NLXBATPBSAKLKI-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC(C)[N@H+]1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849628 179358192 /nfs/dbraw/zinc/35/81/92/179358192.db2.gz PHQZYBXMAHTVEZ-MRXNPFEDSA-N 2 1 281.444 2.027 10 0 CEAEMP CCC[C@@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952102 179368547 /nfs/dbraw/zinc/36/85/47/179368547.db2.gz PROHLWCQSMQSRC-CVEARBPZSA-N 2 1 268.445 2.393 10 0 CEAEMP CC(C)[C@@H]1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950406 179368989 /nfs/dbraw/zinc/36/89/89/179368989.db2.gz DMDVTWTUACRDFH-SJORKVTESA-N 2 1 281.488 2.428 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000087015883 179380068 /nfs/dbraw/zinc/38/00/68/179380068.db2.gz LDSODXGOUXVMDV-UHFFFAOYSA-N 2 1 266.429 2.312 10 0 CEAEMP CC(=O)Nc1ccc([C@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616629839 348540493 /nfs/dbraw/zinc/54/04/93/348540493.db2.gz VEKQCPHOFINOLR-AWEZNQCLSA-N 2 1 275.396 2.173 10 0 CEAEMP CC(=O)Nc1ccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616629839 348540497 /nfs/dbraw/zinc/54/04/97/348540497.db2.gz VEKQCPHOFINOLR-AWEZNQCLSA-N 2 1 275.396 2.173 10 0 CEAEMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753362 233181087 /nfs/dbraw/zinc/18/10/87/233181087.db2.gz WGVJDUNCFSRJLO-RYQLBKOJSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753362 233181089 /nfs/dbraw/zinc/18/10/89/233181089.db2.gz WGVJDUNCFSRJLO-RYQLBKOJSA-N 2 1 287.451 2.239 10 0 CEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCOc2ccccc21 ZINC000090329970 179961063 /nfs/dbraw/zinc/96/10/63/179961063.db2.gz DMGWGYOHKMVHRN-DTZQCDIJSA-N 2 1 272.392 2.440 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccccc1C ZINC000090566292 180005720 /nfs/dbraw/zinc/00/57/20/180005720.db2.gz VLNSRHMWYOIWKJ-DLBZAZTESA-N 2 1 276.424 2.441 10 0 CEAEMP CCC[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876224 180051084 /nfs/dbraw/zinc/05/10/84/180051084.db2.gz FKWUNNJFUUBHAY-INIZCTEOSA-N 2 1 274.408 2.454 10 0 CEAEMP [NH3+]CCC[C@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090877565 180051646 /nfs/dbraw/zinc/05/16/46/180051646.db2.gz XNPOBHRYJPGFCM-GJZGRUSLSA-N 2 1 260.381 2.193 10 0 CEAEMP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894359 180055735 /nfs/dbraw/zinc/05/57/35/180055735.db2.gz RILHZJYCZXZHTK-AEGPPILISA-N 2 1 290.382 2.059 10 0 CEAEMP CC[NH2+]C1CC[NH+](C[C@@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090896656 180056787 /nfs/dbraw/zinc/05/67/87/180056787.db2.gz WFACGLGCZRYREB-INIZCTEOSA-N 2 1 274.408 2.372 10 0 CEAEMP CC(C)[C@H]1C[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896184 180056949 /nfs/dbraw/zinc/05/69/49/180056949.db2.gz WOIBLWSLFQQQTO-JKSUJKDBSA-N 2 1 292.398 2.449 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896184 180056951 /nfs/dbraw/zinc/05/69/51/180056951.db2.gz WOIBLWSLFQQQTO-JKSUJKDBSA-N 2 1 292.398 2.449 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362837 180142686 /nfs/dbraw/zinc/14/26/86/180142686.db2.gz NCVZLLBEFHVCDG-QAETUUGQSA-N 2 1 279.472 2.181 10 0 CEAEMP FC(F)(F)C1CC[NH+](CC[C@@H]2CSCC[NH2+]2)CC1 ZINC000091292368 180123387 /nfs/dbraw/zinc/12/33/87/180123387.db2.gz BEEXVFOYYPIEMF-LLVKDONJSA-N 2 1 282.375 2.356 10 0 CEAEMP CN(C)[C@@H]1CCC[N@@H+](CCCC(C)(C)CC[NH3+])C1 ZINC000091392428 180144892 /nfs/dbraw/zinc/14/48/92/180144892.db2.gz MJJUYLFQOCYOEV-CQSZACIVSA-N 2 1 255.450 2.168 10 0 CEAEMP C[NH+](C)[C@@H]1CCCN(CCCC(C)(C)CC[NH3+])C1 ZINC000091392428 180144893 /nfs/dbraw/zinc/14/48/93/180144893.db2.gz MJJUYLFQOCYOEV-CQSZACIVSA-N 2 1 255.450 2.168 10 0 CEAEMP CCCC1(C[N@H+]2CCC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000091395114 180146706 /nfs/dbraw/zinc/14/67/06/180146706.db2.gz AXZBCQBGTQYCRT-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CCCC1(CN2CCC[C@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000091395114 180146708 /nfs/dbraw/zinc/14/67/08/180146708.db2.gz AXZBCQBGTQYCRT-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCCC1 ZINC000091564727 180193403 /nfs/dbraw/zinc/19/34/03/180193403.db2.gz ANHPQKPJYVOXFK-CQSZACIVSA-N 2 1 276.428 2.059 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(CC)c1)[C@](C)(CC)[NH+](C)C ZINC000091571194 180195860 /nfs/dbraw/zinc/19/58/60/180195860.db2.gz CICUMPHFJDBARQ-GJZGRUSLSA-N 2 1 266.433 2.154 10 0 CEAEMP CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1cc[nH+]c(N)c1 ZINC000091615539 180207982 /nfs/dbraw/zinc/20/79/82/180207982.db2.gz FNEZTAMUGVKSHA-CQSZACIVSA-N 2 1 279.428 2.468 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(C)c1)C1([NH+](C)C)CCCCC1 ZINC000091647782 180215681 /nfs/dbraw/zinc/21/56/81/180215681.db2.gz CUHSXABZLCLANL-HNNXBMFYSA-N 2 1 278.444 2.205 10 0 CEAEMP CCC1(CC)CSC(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)=[NH+]1 ZINC000091675474 180225132 /nfs/dbraw/zinc/22/51/32/180225132.db2.gz IJNCXQJHPBZPFO-CHWSQXEVSA-N 2 1 297.468 2.101 10 0 CEAEMP CCc1ccc(C[C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091720717 180236594 /nfs/dbraw/zinc/23/65/94/180236594.db2.gz NZWMZQIWOUTJAX-UGFHNGPFSA-N 2 1 280.437 2.044 10 0 CEAEMP CCc1ccc(C[C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091720717 180236597 /nfs/dbraw/zinc/23/65/97/180236597.db2.gz NZWMZQIWOUTJAX-UGFHNGPFSA-N 2 1 280.437 2.044 10 0 CEAEMP CCC[N@@H+]([C@@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091851419 180273111 /nfs/dbraw/zinc/27/31/11/180273111.db2.gz JGJKUMHNAOKIBT-UYSNPLJNSA-N 2 1 267.461 2.451 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843789 180268926 /nfs/dbraw/zinc/26/89/26/180268926.db2.gz YVJCENNMQLSKIN-PCKAHOCUSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843789 180268928 /nfs/dbraw/zinc/26/89/28/180268928.db2.gz YVJCENNMQLSKIN-PCKAHOCUSA-N 3 1 267.461 2.451 10 0 CEAEMP CC(C)[NH+]1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843789 180268929 /nfs/dbraw/zinc/26/89/29/180268929.db2.gz YVJCENNMQLSKIN-PCKAHOCUSA-N 3 1 267.461 2.451 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCOCC(F)(F)F)CC1 ZINC000091870386 180277236 /nfs/dbraw/zinc/27/72/36/180277236.db2.gz FIUSQHKOBXVPCI-UHFFFAOYSA-N 2 1 282.350 2.418 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000091871019 180277239 /nfs/dbraw/zinc/27/72/39/180277239.db2.gz ZLFDWPOEYOWACD-OZEOOWDWSA-N 3 1 265.445 2.074 10 0 CEAEMP C[NH2+]C1CCC([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000091871019 180277240 /nfs/dbraw/zinc/27/72/40/180277240.db2.gz ZLFDWPOEYOWACD-OZEOOWDWSA-N 3 1 265.445 2.074 10 0 CEAEMP C[NH2+]C1CCC([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000091871019 180277242 /nfs/dbraw/zinc/27/72/42/180277242.db2.gz ZLFDWPOEYOWACD-OZEOOWDWSA-N 3 1 265.445 2.074 10 0 CEAEMP C[NH2+]C1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000091871019 180277243 /nfs/dbraw/zinc/27/72/43/180277243.db2.gz ZLFDWPOEYOWACD-OZEOOWDWSA-N 2 1 265.445 2.074 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000091871019 180277245 /nfs/dbraw/zinc/27/72/45/180277245.db2.gz ZLFDWPOEYOWACD-OZEOOWDWSA-N 2 1 265.445 2.074 10 0 CEAEMP CCCCNC(=O)C[N@@H+](C)C1CCC([NH2+]CCC)CC1 ZINC000091870084 180277371 /nfs/dbraw/zinc/27/73/71/180277371.db2.gz AUMKVUOHUUNDFE-UHFFFAOYSA-N 2 1 283.460 2.145 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CCOCC(F)(F)F)CC1 ZINC000091870638 180277537 /nfs/dbraw/zinc/27/75/37/180277537.db2.gz SFYOMJZSUKXZMK-UHFFFAOYSA-N 2 1 268.323 2.028 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)nn(C)c2Cl)CC1 ZINC000091872886 180278268 /nfs/dbraw/zinc/27/82/68/180278268.db2.gz CKSWGXVNCCOHHN-UHFFFAOYSA-N 2 1 284.835 2.344 10 0 CEAEMP Cc1c[nH+]c(N)nc1N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000091876896 180278781 /nfs/dbraw/zinc/27/87/81/180278781.db2.gz HSHXNRDSAYHVKY-CQSZACIVSA-N 2 1 285.395 2.472 10 0 CEAEMP C[N@H+]1CCC[C@](O)(C2(C[NH3+])CCCCCC2)CC1 ZINC000091922424 180286724 /nfs/dbraw/zinc/28/67/24/180286724.db2.gz WLTIKUVWBJUVFN-OAHLLOKOSA-N 2 1 254.418 2.133 10 0 CEAEMP Cc1ccc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000091994891 180301096 /nfs/dbraw/zinc/30/10/96/180301096.db2.gz BSPROIHWMJHBEL-AGUYFDCRSA-N 2 1 275.396 2.058 10 0 CEAEMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000091996087 180302024 /nfs/dbraw/zinc/30/20/24/180302024.db2.gz OBDSOZFDDJPNSF-CQSZACIVSA-N 2 1 277.412 2.306 10 0 CEAEMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000091996087 180302025 /nfs/dbraw/zinc/30/20/25/180302025.db2.gz OBDSOZFDDJPNSF-CQSZACIVSA-N 2 1 277.412 2.306 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088679 180321511 /nfs/dbraw/zinc/32/15/11/180321511.db2.gz IWAZNXZOBGRNJF-GASCZTMLSA-N 2 1 268.445 2.369 10 0 CEAEMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092304500 180360228 /nfs/dbraw/zinc/36/02/28/180360228.db2.gz JJQBRQPOHPTZJD-ZIAGYGMSSA-N 2 1 260.381 2.366 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CSc3ccccc32)C1 ZINC000092290509 180357813 /nfs/dbraw/zinc/35/78/13/180357813.db2.gz XDIDTKFTWVIZCB-QWHCGFSZSA-N 2 1 262.422 2.417 10 0 CEAEMP CCC(CC)[N@H+](CCO)Cc1cc(NC)cc[nH+]1 ZINC000092418747 180381222 /nfs/dbraw/zinc/38/12/22/180381222.db2.gz LNPQATAFCNIUKL-UHFFFAOYSA-N 2 1 251.374 2.106 10 0 CEAEMP CCC(CC)[N@@H+](CCO)Cc1cc(NC)cc[nH+]1 ZINC000092418747 180381223 /nfs/dbraw/zinc/38/12/23/180381223.db2.gz LNPQATAFCNIUKL-UHFFFAOYSA-N 2 1 251.374 2.106 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2)C[C@@H]1C ZINC000107907005 186197817 /nfs/dbraw/zinc/19/78/17/186197817.db2.gz KGAAPMCQUADUAM-HOCLYGCPSA-N 2 1 261.413 2.021 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000092627916 180419147 /nfs/dbraw/zinc/41/91/47/180419147.db2.gz VWKTVCMNBSZVOO-QLFBSQMISA-N 2 1 253.434 2.063 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604155 186267381 /nfs/dbraw/zinc/26/73/81/186267381.db2.gz MTINICOKYCEVRE-HOTGVXAUSA-N 2 1 290.407 2.494 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000109604110 186267675 /nfs/dbraw/zinc/26/76/75/186267675.db2.gz IQFWQAKTEMMGDY-OAHLLOKOSA-N 2 1 276.380 2.063 10 0 CEAEMP CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000109603744 186268189 /nfs/dbraw/zinc/26/81/89/186268189.db2.gz LTDIKSBDTPQELM-CVEARBPZSA-N 2 1 290.407 2.352 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840795 186328160 /nfs/dbraw/zinc/32/81/60/186328160.db2.gz IZKRSUPYPZHNMU-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)CC1CCCC1)C(=O)OC ZINC000110840795 186328162 /nfs/dbraw/zinc/32/81/62/186328162.db2.gz IZKRSUPYPZHNMU-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)C[C@@H]1C ZINC000110702826 186314607 /nfs/dbraw/zinc/31/46/07/186314607.db2.gz RCFTWQDQJAWOSK-WFASDCNBSA-N 2 1 281.831 2.366 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC[N@H+]1C ZINC000110710141 186316083 /nfs/dbraw/zinc/31/60/83/186316083.db2.gz OKSVPHYTXRWTFD-HOCLYGCPSA-N 2 1 279.403 2.160 10 0 CEAEMP CC[C@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000110741938 186319574 /nfs/dbraw/zinc/31/95/74/186319574.db2.gz XKEKXHBWXXRLOS-HOTGVXAUSA-N 2 1 289.423 2.019 10 0 CEAEMP C[C@@H]1CN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC[N@H+]1C ZINC000110751624 186319704 /nfs/dbraw/zinc/31/97/04/186319704.db2.gz ZJEVKSHXKWJVJX-CYBMUJFWSA-N 2 1 279.428 2.304 10 0 CEAEMP CCC(CC)[NH2+]C[C@H](C)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110757282 186319736 /nfs/dbraw/zinc/31/97/36/186319736.db2.gz BGQSKYLSIZQEKC-ZFWWWQNUSA-N 2 1 255.450 2.179 10 0 CEAEMP CN(C)CC[N@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000111149966 186360771 /nfs/dbraw/zinc/36/07/71/186360771.db2.gz KNSZXTLQTSCPIM-UHFFFAOYSA-N 2 1 277.437 2.353 10 0 CEAEMP CN(C)CC[N@@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000111149966 186360773 /nfs/dbraw/zinc/36/07/73/186360773.db2.gz KNSZXTLQTSCPIM-UHFFFAOYSA-N 2 1 277.437 2.353 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)C[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000111143708 186359000 /nfs/dbraw/zinc/35/90/00/186359000.db2.gz MAHYBLNNRCCTMF-AWDGRILASA-N 2 1 294.483 2.447 10 0 CEAEMP C[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172691 186365427 /nfs/dbraw/zinc/36/54/27/186365427.db2.gz MZIXGOHHNFXBMX-GJZGRUSLSA-N 2 1 254.418 2.123 10 0 CEAEMP COc1ccc(C[N@H+](C)C[C@@]2(C[NH3+])CCCOC2)cc1F ZINC000111323329 186397451 /nfs/dbraw/zinc/39/74/51/186397451.db2.gz DTIBRRYZXGSKML-INIZCTEOSA-N 2 1 296.386 2.022 10 0 CEAEMP COc1ccc(C[N@@H+](C)C[C@@]2(C[NH3+])CCCOC2)cc1F ZINC000111323329 186397452 /nfs/dbraw/zinc/39/74/52/186397452.db2.gz DTIBRRYZXGSKML-INIZCTEOSA-N 2 1 296.386 2.022 10 0 CEAEMP COCC[N@@H+](C[C@]1(C[NH2+]CC(C)C)CCCOC1)C1CC1 ZINC000111327250 186398033 /nfs/dbraw/zinc/39/80/33/186398033.db2.gz IACCAVWUYMNDED-QGZVFWFLSA-N 2 1 298.471 2.140 10 0 CEAEMP C[N@@H+](C[C@@]1(C[NH3+])CCCOC1)C1CCCCCC1 ZINC000111325837 186398196 /nfs/dbraw/zinc/39/81/96/186398196.db2.gz CSHBGPYNVACCSP-HNNXBMFYSA-N 2 1 254.418 2.397 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@@H+](C)CC2CC2)CCCOC1 ZINC000111326081 186398313 /nfs/dbraw/zinc/39/83/13/186398313.db2.gz LSSHTCYQQCGZAC-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]C[C@@]1(C[NH+]2CCSCC2)CCCOC1 ZINC000111324529 186398478 /nfs/dbraw/zinc/39/84/78/186398478.db2.gz MNTJFDTTYCNIPX-OAHLLOKOSA-N 2 1 286.485 2.078 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](C)CC2CC2)CCCOC1 ZINC000111326076 186398686 /nfs/dbraw/zinc/39/86/86/186398686.db2.gz FQDKUUPGGAELOK-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[N@@H+](C)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111324794 186399300 /nfs/dbraw/zinc/39/93/00/186399300.db2.gz AHMVGNKRUADUBA-OAHLLOKOSA-N 2 1 256.434 2.371 10 0 CEAEMP [NH3+]C[C@]1(C[N@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329304 186399503 /nfs/dbraw/zinc/39/95/03/186399503.db2.gz AGYWEGRXHYPYTQ-KRWDZBQOSA-N 2 1 274.408 2.190 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](C)CC2CCOCC2)CCCOC1 ZINC000111329938 186399594 /nfs/dbraw/zinc/39/95/94/186399594.db2.gz ZZKFXCWZBRAQQH-QGZVFWFLSA-N 2 1 298.471 2.141 10 0 CEAEMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832315 299280333 /nfs/dbraw/zinc/28/03/33/299280333.db2.gz HVRQGHJISCIEMC-SZMVWBNQSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832315 299280336 /nfs/dbraw/zinc/28/03/36/299280336.db2.gz HVRQGHJISCIEMC-SZMVWBNQSA-N 2 1 287.451 2.239 10 0 CEAEMP CN(c1cc[nH+]cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094272623 364264077 /nfs/dbraw/zinc/26/40/77/364264077.db2.gz IGJFIMRRPLOTRG-ZACCUICWSA-N 2 1 251.761 2.454 10 0 CEAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(Br)c1 ZINC000095072270 364332275 /nfs/dbraw/zinc/33/22/75/364332275.db2.gz QDBBYYBANVQLMT-MNOVXSKESA-N 2 1 284.201 2.204 10 0 CEAEMP C[C@@H]([NH3+])C[C@H](C)Nc1cc[nH+]cc1Br ZINC000160032309 366966903 /nfs/dbraw/zinc/96/69/03/366966903.db2.gz DREKJORIAFYMOH-SFYZADRCSA-N 2 1 258.163 2.382 10 0 CEAEMP C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631837691 367577419 /nfs/dbraw/zinc/57/74/19/367577419.db2.gz WFIHSTUJTNAMJS-NEPJUHHUSA-N 2 1 268.401 2.444 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000631841175 367582556 /nfs/dbraw/zinc/58/25/56/367582556.db2.gz ZGSTTWYMXCBVRD-JSGCOSHPSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631841915 367582915 /nfs/dbraw/zinc/58/29/15/367582915.db2.gz RQKKXOAHVCSUQG-RYUDHWBXSA-N 2 1 295.814 2.195 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000631842069 367584529 /nfs/dbraw/zinc/58/45/29/367584529.db2.gz UUESVKFSPDEOPZ-JQWIXIFHSA-N 2 1 270.323 2.315 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000631842069 367584531 /nfs/dbraw/zinc/58/45/31/367584531.db2.gz UUESVKFSPDEOPZ-JQWIXIFHSA-N 2 1 270.323 2.315 10 0 CEAEMP c1ccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)nc1 ZINC000189367350 369506147 /nfs/dbraw/zinc/50/61/47/369506147.db2.gz MOZRBIJPLIFISN-CABCVRRESA-N 2 1 275.396 2.385 10 0 CEAEMP CCC(=O)CC[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000190221969 369605242 /nfs/dbraw/zinc/60/52/42/369605242.db2.gz BUQPWEYYGFTIBL-ZDUSSCGKSA-N 2 1 263.385 2.452 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000231453747 370479277 /nfs/dbraw/zinc/47/92/77/370479277.db2.gz BEWKMAKIHSGORV-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247136466 371069424 /nfs/dbraw/zinc/06/94/24/371069424.db2.gz VYPXURNRGMILLR-RBSFLKMASA-N 2 1 255.450 2.035 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000247136466 371069427 /nfs/dbraw/zinc/06/94/27/371069427.db2.gz VYPXURNRGMILLR-RBSFLKMASA-N 2 1 255.450 2.035 10 0 CEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248397524 371185606 /nfs/dbraw/zinc/18/56/06/371185606.db2.gz LWUGTRHGNRWOFI-GHMZBOCLSA-N 2 1 291.317 2.006 10 0 CEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248397524 371185619 /nfs/dbraw/zinc/18/56/19/371185619.db2.gz LWUGTRHGNRWOFI-GHMZBOCLSA-N 2 1 291.317 2.006 10 0 CEAEMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261579780 371658878 /nfs/dbraw/zinc/65/88/78/371658878.db2.gz DXLJHONWXHRZEF-NWANDNLSSA-N 2 1 260.381 2.254 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000261792272 371733951 /nfs/dbraw/zinc/73/39/51/371733951.db2.gz GHFVTQIKRMWCOM-GZBFAFLISA-N 2 1 278.371 2.394 10 0 CEAEMP CCc1nc(N2CCC([NH2+]CC3CC3)CC2)cc(C)[nH+]1 ZINC000261627164 371684306 /nfs/dbraw/zinc/68/43/06/371684306.db2.gz AURWUIGLPOCACY-UHFFFAOYSA-N 2 1 274.412 2.316 10 0 CEAEMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000261874573 371756901 /nfs/dbraw/zinc/75/69/01/371756901.db2.gz DODBKRHGPSAUGD-RBSFLKMASA-N 2 1 266.429 2.313 10 0 CEAEMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000414819311 376006605 /nfs/dbraw/zinc/00/66/05/376006605.db2.gz YKWOLFYFQBSCJH-PBWFPOADSA-N 2 1 276.380 2.076 10 0 CEAEMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859026 379545451 /nfs/dbraw/zinc/54/54/51/379545451.db2.gz PDGCXWOUPDNNON-AEFFLSMTSA-N 2 1 289.467 2.486 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859026 379545458 /nfs/dbraw/zinc/54/54/58/379545458.db2.gz PDGCXWOUPDNNON-AEFFLSMTSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859026 379545463 /nfs/dbraw/zinc/54/54/63/379545463.db2.gz PDGCXWOUPDNNON-AEFFLSMTSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859026 379545469 /nfs/dbraw/zinc/54/54/69/379545469.db2.gz PDGCXWOUPDNNON-AEFFLSMTSA-N 2 1 289.467 2.486 10 0 CEAEMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000520793844 379504316 /nfs/dbraw/zinc/50/43/16/379504316.db2.gz LMRGSNMODHOYFS-WBVHZDCISA-N 2 1 275.440 2.096 10 0 CEAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000305167798 379668875 /nfs/dbraw/zinc/66/88/75/379668875.db2.gz YXKJXUYIBRHYOU-MGPQQGTHSA-N 2 1 256.434 2.103 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)C1 ZINC000094445597 184801872 /nfs/dbraw/zinc/80/18/72/184801872.db2.gz PTHIISYIYHTXDC-QZWWFDLISA-N 2 1 279.472 2.453 10 0 CEAEMP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000094758814 184854941 /nfs/dbraw/zinc/85/49/41/184854941.db2.gz HNXMLSGTXBQTMB-LLVKDONJSA-N 2 1 273.302 2.315 10 0 CEAEMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000094758814 184854943 /nfs/dbraw/zinc/85/49/43/184854943.db2.gz HNXMLSGTXBQTMB-LLVKDONJSA-N 2 1 273.302 2.315 10 0 CEAEMP CCC[NH2+]Cc1cc(CN2CC[N@H+]3CCC[C@@H]3C2)oc1C ZINC000094467205 184806317 /nfs/dbraw/zinc/80/63/17/184806317.db2.gz MAWAUAIMVFBNRM-MRXNPFEDSA-N 2 1 291.439 2.368 10 0 CEAEMP CCc1cc(N2CCC[C@H](C[NH2+]C3CC3)C2)nc(C)[nH+]1 ZINC000088760889 135057239 /nfs/dbraw/zinc/05/72/39/135057239.db2.gz WLDJNQOMHJYIJB-CYBMUJFWSA-N 2 1 274.412 2.316 10 0 CEAEMP Cc1c[nH+]c(N2CCC(C[NH+]3CCCC3)CC2)c(N)c1 ZINC000090691255 135064224 /nfs/dbraw/zinc/06/42/24/135064224.db2.gz RQQAQLRQPWTOBP-UHFFFAOYSA-N 2 1 274.412 2.284 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093068440 135079109 /nfs/dbraw/zinc/07/91/09/135079109.db2.gz PRYFMRXYUCMSHF-HZPDHXFCSA-N 2 1 275.440 2.361 10 0 CEAEMP [NH3+]C1(CC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC000094295811 135085975 /nfs/dbraw/zinc/08/59/75/135085975.db2.gz AWUHIRKTZOFWJZ-UHFFFAOYSA-N 2 1 277.387 2.219 10 0 CEAEMP CC(C)[NH2+]Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094443183 135088747 /nfs/dbraw/zinc/08/87/47/135088747.db2.gz LIHYBIOHORECJG-QGZVFWFLSA-N 2 1 288.439 2.254 10 0 CEAEMP C[C@@H]([NH3+])Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000094444536 135088783 /nfs/dbraw/zinc/08/87/83/135088783.db2.gz JQENCJZAEDODRY-RHSMWYFYSA-N 2 1 273.424 2.251 10 0 CEAEMP C(CN1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000161852600 395066706 /nfs/dbraw/zinc/06/67/06/395066706.db2.gz OPVXJYZXLHIACF-MRXNPFEDSA-N 2 1 265.445 2.033 10 0 CEAEMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000020137674 171025271 /nfs/dbraw/zinc/02/52/71/171025271.db2.gz GHRQUKZGYMCVQU-OAHLLOKOSA-N 2 1 290.407 2.289 10 0 CEAEMP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCN(C)C)CC1 ZINC000037210220 173031217 /nfs/dbraw/zinc/03/12/17/173031217.db2.gz PNPPJTPGBKNLIM-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)COCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037221365 173040607 /nfs/dbraw/zinc/04/06/07/173040607.db2.gz IXFAWWLAIWCWDW-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])Cc1ncc(C)c(OC)c1C ZINC000037299556 173103732 /nfs/dbraw/zinc/10/37/32/173103732.db2.gz YOHHOAMWBAJMSE-UHFFFAOYSA-N 2 1 265.401 2.268 10 0 CEAEMP CCCN(CCC[NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000037299556 173103734 /nfs/dbraw/zinc/10/37/34/173103734.db2.gz YOHHOAMWBAJMSE-UHFFFAOYSA-N 2 1 265.401 2.268 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037484577 173228726 /nfs/dbraw/zinc/22/87/26/173228726.db2.gz WECHEBPGFWKSRF-GFCCVEGCSA-N 2 1 283.213 2.490 10 0 CEAEMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038087086 174098901 /nfs/dbraw/zinc/09/89/01/174098901.db2.gz YDIUDHPTOSBRDV-CQSZACIVSA-N 2 1 262.397 2.312 10 0 CEAEMP C[NH2+]C[C@@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000040593244 174347835 /nfs/dbraw/zinc/34/78/35/174347835.db2.gz AHYGJVYECRLXFY-ZWKOTPCHSA-N 2 1 287.451 2.192 10 0 CEAEMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1O ZINC000040591805 174347896 /nfs/dbraw/zinc/34/78/96/174347896.db2.gz NAKIGEXWJJQKSE-AWEZNQCLSA-N 2 1 278.396 2.222 10 0 CEAEMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1O ZINC000040591805 174347898 /nfs/dbraw/zinc/34/78/98/174347898.db2.gz NAKIGEXWJJQKSE-AWEZNQCLSA-N 2 1 278.396 2.222 10 0 CEAEMP C[C@H]1CCC[C@@](C[NH2+]C[C@@H]2CCOC2)([NH+](C)C)C1 ZINC000040668420 174367279 /nfs/dbraw/zinc/36/72/79/174367279.db2.gz PXMPOCPSOKPNNL-SOUVJXGZSA-N 2 1 254.418 2.123 10 0 CEAEMP COc1ccccc1C[C@@](C)(C[NH3+])[N@@H+]1CC[C@@H](C)C1 ZINC000040717130 174384367 /nfs/dbraw/zinc/38/43/67/174384367.db2.gz BGVYMGMNRRMPBG-CJNGLKHVSA-N 2 1 262.397 2.297 10 0 CEAEMP COc1ccccc1C[C@@](C)(C[NH3+])[N@H+]1CC[C@@H](C)C1 ZINC000040717130 174384368 /nfs/dbraw/zinc/38/43/68/174384368.db2.gz BGVYMGMNRRMPBG-CJNGLKHVSA-N 2 1 262.397 2.297 10 0 CEAEMP COCC[N@@H+](CCOc1cccc(C[NH3+])c1)CC(C)C ZINC000042367605 174698685 /nfs/dbraw/zinc/69/86/85/174698685.db2.gz YOYVPNFIFOEHRU-UHFFFAOYSA-N 2 1 280.412 2.129 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCC(CC)CC1)OCCO2 ZINC000043913469 175124502 /nfs/dbraw/zinc/12/45/02/175124502.db2.gz HJVROMHOPHOJFJ-HOTGVXAUSA-N 2 1 296.455 2.382 10 0 CEAEMP CC[NH2+][C@H](C[NH+]1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970681 175132201 /nfs/dbraw/zinc/13/22/01/175132201.db2.gz QPBWPMAWOPXPQM-OAHLLOKOSA-N 3 1 269.477 2.284 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@H](OCC)C1 ZINC000043971652 175132972 /nfs/dbraw/zinc/13/29/72/175132972.db2.gz UTITXHQSPPMKFP-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@H](OCC)C1 ZINC000043971652 175132973 /nfs/dbraw/zinc/13/29/73/175132973.db2.gz UTITXHQSPPMKFP-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP C[N@@H+](C[C@@H](O)c1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068660 175300699 /nfs/dbraw/zinc/30/06/99/175300699.db2.gz QZKKPIXWUQBSAL-CQSZACIVSA-N 2 1 250.386 2.157 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)C(C)C)C(N)=O ZINC000045383699 175371532 /nfs/dbraw/zinc/37/15/32/175371532.db2.gz SMHNIHYKXHUYFM-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385828 175371945 /nfs/dbraw/zinc/37/19/45/175371945.db2.gz ASHFZSDLPCRPOV-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385828 175371946 /nfs/dbraw/zinc/37/19/46/175371946.db2.gz ASHFZSDLPCRPOV-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP C[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045419143 175377420 /nfs/dbraw/zinc/37/74/20/175377420.db2.gz KUCVXRYRWJLMHS-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CC(C)[NH2+][C@@H]1CCCN(CCCC[N@@H+](C)C(C)C)C1=O ZINC000071034906 176024759 /nfs/dbraw/zinc/02/47/59/176024759.db2.gz XXFIZIJBNZGUNM-OAHLLOKOSA-N 2 1 283.460 2.096 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000071141984 176040403 /nfs/dbraw/zinc/04/04/03/176040403.db2.gz DYIJJROQAPNIFL-QWHCGFSZSA-N 2 1 278.396 2.306 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000071141984 176040404 /nfs/dbraw/zinc/04/04/04/176040404.db2.gz DYIJJROQAPNIFL-QWHCGFSZSA-N 2 1 278.396 2.306 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000071161810 176046415 /nfs/dbraw/zinc/04/64/15/176046415.db2.gz BUXHJWXUGOMJOS-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000071161810 176046416 /nfs/dbraw/zinc/04/64/16/176046416.db2.gz BUXHJWXUGOMJOS-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188096 176061571 /nfs/dbraw/zinc/06/15/71/176061571.db2.gz OKGCUUBLTOPYFF-VNHYZAJKSA-N 2 1 281.469 2.410 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188089 176061842 /nfs/dbraw/zinc/06/18/42/176061842.db2.gz OHVYRORCZCWICR-XYPHTWIQSA-N 2 1 293.430 2.488 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188053 176061874 /nfs/dbraw/zinc/06/18/74/176061874.db2.gz VVUILDJMKJJWFB-YRGRVCCFSA-N 2 1 267.442 2.020 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188212 176062814 /nfs/dbraw/zinc/06/28/14/176062814.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 2 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188212 176062816 /nfs/dbraw/zinc/06/28/16/176062816.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188212 176062817 /nfs/dbraw/zinc/06/28/17/176062817.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188212 176062818 /nfs/dbraw/zinc/06/28/18/176062818.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188212 176062819 /nfs/dbraw/zinc/06/28/19/176062819.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 3 1 267.461 2.024 10 0 CEAEMP CC[C@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189007 176064811 /nfs/dbraw/zinc/06/48/11/176064811.db2.gz SHDZSXLJPIVJBK-ZJIFWQFVSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188970 176064833 /nfs/dbraw/zinc/06/48/33/176064833.db2.gz TUIORZVYWGLZNB-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188970 176064834 /nfs/dbraw/zinc/06/48/34/176064834.db2.gz TUIORZVYWGLZNB-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188970 176064836 /nfs/dbraw/zinc/06/48/36/176064836.db2.gz TUIORZVYWGLZNB-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188970 176064838 /nfs/dbraw/zinc/06/48/38/176064838.db2.gz TUIORZVYWGLZNB-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188970 176064839 /nfs/dbraw/zinc/06/48/39/176064839.db2.gz TUIORZVYWGLZNB-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CC1(CN(C)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191439 176069470 /nfs/dbraw/zinc/06/94/70/176069470.db2.gz OGHQLUZJYFJLMB-INIZCTEOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191972 176071052 /nfs/dbraw/zinc/07/10/52/176071052.db2.gz UWKWLTIMQAWCKS-CVEARBPZSA-N 2 1 269.477 2.140 10 0 CEAEMP CN(CCC[NH2+]C1CCCCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192203 176073179 /nfs/dbraw/zinc/07/31/79/176073179.db2.gz FCRFBWJJPDHTPZ-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)C[NH2+]Cc1occc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192089 176073541 /nfs/dbraw/zinc/07/35/41/176073541.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 2 1 293.455 2.409 10 0 CEAEMP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000071200518 176077600 /nfs/dbraw/zinc/07/76/00/176077600.db2.gz QMHHHWSOJAVZRQ-HOTGVXAUSA-N 2 1 267.461 2.179 10 0 CEAEMP Cc1ncsc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000071212757 176084533 /nfs/dbraw/zinc/08/45/33/176084533.db2.gz SOYYXPCMKVINKU-NHCYSSNCSA-N 2 1 253.415 2.270 10 0 CEAEMP Cc1ncsc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000071212757 176084535 /nfs/dbraw/zinc/08/45/35/176084535.db2.gz SOYYXPCMKVINKU-NHCYSSNCSA-N 2 1 253.415 2.270 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1c(C)cc(C)cc1C ZINC000071228971 176090968 /nfs/dbraw/zinc/09/09/68/176090968.db2.gz ASQYTBCXTHGBCP-UHFFFAOYSA-N 2 1 277.412 2.386 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1c(C)cc(C)cc1C ZINC000071228971 176090970 /nfs/dbraw/zinc/09/09/70/176090970.db2.gz ASQYTBCXTHGBCP-UHFFFAOYSA-N 2 1 277.412 2.386 10 0 CEAEMP C[NH2+]CCCCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000071289753 176110516 /nfs/dbraw/zinc/11/05/16/176110516.db2.gz PWWMNUVWKBRCMB-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP C[NH2+]CCCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000071290047 176110712 /nfs/dbraw/zinc/11/07/12/176110712.db2.gz SZVXDOIXRGKFJU-UHFFFAOYSA-N 3 1 255.450 2.040 10 0 CEAEMP CCC[NH2+]CCCCCC[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071290063 176110799 /nfs/dbraw/zinc/11/07/99/176110799.db2.gz OZJMBTXUSSXZDB-MRXNPFEDSA-N 3 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071290063 176110801 /nfs/dbraw/zinc/11/08/01/176110801.db2.gz OZJMBTXUSSXZDB-MRXNPFEDSA-N 3 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071290063 176110802 /nfs/dbraw/zinc/11/08/02/176110802.db2.gz OZJMBTXUSSXZDB-MRXNPFEDSA-N 3 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[N@H+](C)C[C@H]1CCN(C)C1 ZINC000071290063 176110804 /nfs/dbraw/zinc/11/08/04/176110804.db2.gz OZJMBTXUSSXZDB-MRXNPFEDSA-N 2 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000071290063 176110805 /nfs/dbraw/zinc/11/08/05/176110805.db2.gz OZJMBTXUSSXZDB-MRXNPFEDSA-N 2 1 269.477 2.430 10 0 CEAEMP C[C@H](CCC1CC1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000186269891 262313330 /nfs/dbraw/zinc/31/33/30/262313330.db2.gz GOZRDEUDFMQGML-UKRRQHHQSA-N 2 1 254.418 2.002 10 0 CEAEMP CC/C=C/CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184522100 270243464 /nfs/dbraw/zinc/24/34/64/270243464.db2.gz SBSUCZWHZIBMJS-LLYBFZRZSA-N 2 1 268.445 2.367 10 0 CEAEMP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000262010258 276219500 /nfs/dbraw/zinc/21/95/00/276219500.db2.gz VMPGSBUTZAKKGR-KFWWJZLASA-N 2 1 266.429 2.313 10 0 CEAEMP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049553838 519847910 /nfs/dbraw/zinc/84/79/10/519847910.db2.gz BNSUAOJHMNJGPA-LSDHHAIUSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+][C@@H](CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000062525918 519993850 /nfs/dbraw/zinc/99/38/50/519993850.db2.gz SPQNFEHHAWMRGL-NRXISQOPSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@H](CC[N@@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000062525918 519993856 /nfs/dbraw/zinc/99/38/56/519993856.db2.gz SPQNFEHHAWMRGL-NRXISQOPSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000052543458 519995625 /nfs/dbraw/zinc/99/56/25/519995625.db2.gz IRPHIOCJEAXYCI-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000052543458 519995629 /nfs/dbraw/zinc/99/56/29/519995629.db2.gz IRPHIOCJEAXYCI-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](CC)C1CCCCC1)C(N)=O ZINC000068617656 520144280 /nfs/dbraw/zinc/14/42/80/520144280.db2.gz ISUUMWVUPVBCPV-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000068617656 520144293 /nfs/dbraw/zinc/14/42/93/520144293.db2.gz ISUUMWVUPVBCPV-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C)C1 ZINC000052372323 520318653 /nfs/dbraw/zinc/31/86/53/520318653.db2.gz HEYJXNVLSWCWJV-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CCO[C@H]1CCC[N@@H+]([C@@H](C[NH2+]C2CC2)C(C)C)C1 ZINC000052372058 520527692 /nfs/dbraw/zinc/52/76/92/520527692.db2.gz CIXKQLNERVEAIZ-GJZGRUSLSA-N 2 1 254.418 2.264 10 0 CEAEMP CCO[C@H]1CCC[N@H+]([C@@H](C[NH2+]C2CC2)C(C)C)C1 ZINC000052372058 520527701 /nfs/dbraw/zinc/52/77/01/520527701.db2.gz CIXKQLNERVEAIZ-GJZGRUSLSA-N 2 1 254.418 2.264 10 0 CEAEMP CCCC[C@@](CC)(C[NH3+])[N@@H+](CCCOC)CCOC ZINC000069380365 521121981 /nfs/dbraw/zinc/12/19/81/521121981.db2.gz OOIZJGKMQCGKAY-HNNXBMFYSA-N 2 1 274.449 2.269 10 0 CEAEMP CCC(C)(C)[N@@H+](C)C[C@@H](O)COc1ccc(C[NH3+])cc1 ZINC000069429409 521305380 /nfs/dbraw/zinc/30/53/80/521305380.db2.gz IPUPLAOEHQFACR-CQSZACIVSA-N 2 1 280.412 2.005 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543622 522137576 /nfs/dbraw/zinc/13/75/76/522137576.db2.gz XERHTHVOMROTCV-ZDUSSCGKSA-N 2 1 262.397 2.405 10 0 CEAEMP C[NH2+][C@@H](CC[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000054015335 522342730 /nfs/dbraw/zinc/34/27/30/522342730.db2.gz XYAVYGJHHLMIRT-HNNXBMFYSA-N 2 1 282.815 2.447 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630452 519740055 /nfs/dbraw/zinc/74/00/55/519740055.db2.gz VJKURLVBASLFST-HEHGZKQESA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630452 519740057 /nfs/dbraw/zinc/74/00/57/519740057.db2.gz VJKURLVBASLFST-HEHGZKQESA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000052477746 519743796 /nfs/dbraw/zinc/74/37/96/519743796.db2.gz ZBQHDHFDPDEPEE-OAHLLOKOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000068690256 519745008 /nfs/dbraw/zinc/74/50/08/519745008.db2.gz QRLUCSHCUULTSZ-AWEZNQCLSA-N 2 1 291.443 2.005 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C)OC(C)(C)C2)O1 ZINC000052543609 519746303 /nfs/dbraw/zinc/74/63/03/519746303.db2.gz CMDWWDISUCNVIV-OAGGEKHMSA-N 2 1 298.471 2.279 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571937 519748071 /nfs/dbraw/zinc/74/80/71/519748071.db2.gz DGVWLMDFNHYUIT-HNNXBMFYSA-N 2 1 295.475 2.390 10 0 CEAEMP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC[N@@H+](C)CC1 ZINC000052424054 519794780 /nfs/dbraw/zinc/79/47/80/519794780.db2.gz MIGRWSNJVLZKLY-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC1CC[NH+]([C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000068638333 519859722 /nfs/dbraw/zinc/85/97/22/519859722.db2.gz STOVSMDHMIDAEV-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cn1cccn1 ZINC000054629759 519908486 /nfs/dbraw/zinc/90/84/86/519908486.db2.gz YHHRPCJMSRDZMJ-HNSVSWJLSA-N 2 1 276.428 2.267 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@@H+](C)C(C)C ZINC000054602294 519909783 /nfs/dbraw/zinc/90/97/83/519909783.db2.gz YYVRDQVNBVMEJS-MQVJKMGUSA-N 2 1 267.461 2.322 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481015 519937241 /nfs/dbraw/zinc/93/72/41/519937241.db2.gz BQLQLBBPCVYETP-CVEARBPZSA-N 2 1 277.412 2.061 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2C)O1 ZINC000052379026 519938060 /nfs/dbraw/zinc/93/80/60/519938060.db2.gz OLJZCHXBBOXSPP-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2CC)O1 ZINC000052375341 519938222 /nfs/dbraw/zinc/93/82/22/519938222.db2.gz GXJSFYMCAIORJI-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C[C@H](C(C)C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545254 519958477 /nfs/dbraw/zinc/95/84/77/519958477.db2.gz BCRWHFFJSZECDK-DZGCQCFKSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC[NH2+][C@@H](C)c1sc(N2CC[NH+](C)CC2)nc1C ZINC000054900279 519990871 /nfs/dbraw/zinc/99/08/71/519990871.db2.gz YYBWGGCDKUPRFM-NSHDSACASA-N 2 1 282.457 2.264 10 0 CEAEMP CCC[NH2+][C@@H](C)c1cnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000054909514 519990912 /nfs/dbraw/zinc/99/09/12/519990912.db2.gz FVGHSASZPMMRMK-LBPRGKRZSA-N 2 1 294.468 2.488 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CCCOC)CCOC ZINC000052543318 520006692 /nfs/dbraw/zinc/00/66/92/520006692.db2.gz DURSQDFGJBWDGP-UHFFFAOYSA-N 2 1 294.439 2.281 10 0 CEAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@@H](C)COC ZINC000052511618 520007939 /nfs/dbraw/zinc/00/79/39/520007939.db2.gz FUWCJYMPHRTOFR-AWEZNQCLSA-N 2 1 280.412 2.142 10 0 CEAEMP CC[NH2+]Cc1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000054719313 520017915 /nfs/dbraw/zinc/01/79/15/520017915.db2.gz SBUAJMOMAOHRRT-UHFFFAOYSA-N 2 1 274.368 2.061 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637679 520114467 /nfs/dbraw/zinc/11/44/67/520114467.db2.gz ZUMMPALWEWLADR-GOEBONIOSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637679 520114472 /nfs/dbraw/zinc/11/44/72/520114472.db2.gz ZUMMPALWEWLADR-GOEBONIOSA-N 2 1 285.476 2.375 10 0 CEAEMP CCCCCC[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178360 520126699 /nfs/dbraw/zinc/12/66/99/520126699.db2.gz BIEVTIRWBXSWMY-GJZGRUSLSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[NH2+][C@H](CN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000069073719 520199483 /nfs/dbraw/zinc/19/94/83/520199483.db2.gz ACGAZIHBTWNQAF-QZTJIDSGSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627068 520240336 /nfs/dbraw/zinc/24/03/36/520240336.db2.gz DVBZJHZILFWJEG-LJIGWXMPSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627068 520240343 /nfs/dbraw/zinc/24/03/43/520240343.db2.gz DVBZJHZILFWJEG-LJIGWXMPSA-N 2 1 295.471 2.131 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052198132 520319538 /nfs/dbraw/zinc/31/95/38/520319538.db2.gz JRGSMTUHIBHEGX-MRXNPFEDSA-N 2 1 298.471 2.282 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H](C)[NH2+]CC)CC1 ZINC000061272787 520398295 /nfs/dbraw/zinc/39/82/95/520398295.db2.gz BEXIUQKLOSEDNN-HNNXBMFYSA-N 2 1 297.487 2.345 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1CC1 ZINC000069239475 521004853 /nfs/dbraw/zinc/00/48/53/521004853.db2.gz XOFGNWJGPVPGBU-INIZCTEOSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[N@@H+](CCOc1ccccc1C[NH2+]C)[C@@H](C)COC ZINC000052504855 521153711 /nfs/dbraw/zinc/15/37/11/521153711.db2.gz NYVYYQGEHYQZDS-AWEZNQCLSA-N 2 1 280.412 2.142 10 0 CEAEMP CCCC[C@](CC)(C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000069381188 521253707 /nfs/dbraw/zinc/25/37/07/521253707.db2.gz RHQNXIBTZJMLHU-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000069429396 521304520 /nfs/dbraw/zinc/30/45/20/521304520.db2.gz HPOFEYQOGZFDPB-AWEZNQCLSA-N 2 1 250.386 2.299 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[NH+]1Cc2ccccc2C1 ZINC000050912339 521325725 /nfs/dbraw/zinc/32/57/25/521325725.db2.gz IWPYDICLYTVVTG-QGZVFWFLSA-N 2 1 290.407 2.453 10 0 CEAEMP CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2cc(N)ccc21 ZINC000052842658 521659714 /nfs/dbraw/zinc/65/97/14/521659714.db2.gz FUGFTBMUPWPGLO-ZDUSSCGKSA-N 2 1 258.369 2.411 10 0 CEAEMP CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2cc(N)ccc21 ZINC000052842658 521659716 /nfs/dbraw/zinc/65/97/16/521659716.db2.gz FUGFTBMUPWPGLO-ZDUSSCGKSA-N 2 1 258.369 2.411 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000061654545 521840513 /nfs/dbraw/zinc/84/05/13/521840513.db2.gz NJCALVLOYQTVCK-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH+](C)C[C@@H]1CCCN1Cc1ccccc1C[NH2+]C1CC1 ZINC000061654545 521840519 /nfs/dbraw/zinc/84/05/19/521840519.db2.gz NJCALVLOYQTVCK-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052547325 522091008 /nfs/dbraw/zinc/09/10/08/522091008.db2.gz JXUINTKVWXTPLD-CYBMUJFWSA-N 2 1 283.416 2.420 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482373 522093009 /nfs/dbraw/zinc/09/30/09/522093009.db2.gz BGUQYOPTEXMASA-JJXSEGSLSA-N 2 1 266.429 2.266 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCc3sccc3[C@@H]2C)O1 ZINC000052505590 522094445 /nfs/dbraw/zinc/09/44/45/522094445.db2.gz HUUCSHRCSZGPJN-XQQFMLRXSA-N 2 1 280.437 2.434 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCCC[NH2+]C(C)C)CC1 ZINC000055074537 522119045 /nfs/dbraw/zinc/11/90/45/522119045.db2.gz AAGWRBFAWWQXQQ-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH2+]Cc1oc(C[N@H+](CCN(C)C)CC(C)C)cc1C ZINC000052503429 522160534 /nfs/dbraw/zinc/16/05/34/522160534.db2.gz RQYQGAPLNIYSSX-UHFFFAOYSA-N 2 1 281.444 2.327 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+](CCN(C)C)CC(C)C)cc1C ZINC000052503429 522160541 /nfs/dbraw/zinc/16/05/41/522160541.db2.gz RQYQGAPLNIYSSX-UHFFFAOYSA-N 2 1 281.444 2.327 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382401 522162088 /nfs/dbraw/zinc/16/20/88/522162088.db2.gz CKHFNOYCRCCBNM-GFCCVEGCSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCO[C@H](C)C1 ZINC000052382401 522162093 /nfs/dbraw/zinc/16/20/93/522162093.db2.gz CKHFNOYCRCCBNM-GFCCVEGCSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc1C1CC1 ZINC000069180130 522167314 /nfs/dbraw/zinc/16/73/14/522167314.db2.gz YREDAFRLWJKTAH-GFCCVEGCSA-N 2 1 294.468 2.270 10 0 CEAEMP C[NH2+][C@](C)(C[C@H](C)[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000068643086 522524270 /nfs/dbraw/zinc/52/42/70/522524270.db2.gz PKIQXHYGGUDIGF-GOEBONIOSA-N 2 1 295.471 2.275 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052511956 522596422 /nfs/dbraw/zinc/59/64/22/522596422.db2.gz OZNVZRSFSSBJLA-ZDUSSCGKSA-N 2 1 262.397 2.405 10 0 CEAEMP C[N@H+](Cc1cccc(F)c1)Cc1cccnc1C[NH3+] ZINC000061656493 523310380 /nfs/dbraw/zinc/31/03/80/523310380.db2.gz CPPVQTYITKYEFY-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP C[N@@H+](Cc1cccc(F)c1)Cc1cccnc1C[NH3+] ZINC000061656493 523310394 /nfs/dbraw/zinc/31/03/94/523310394.db2.gz CPPVQTYITKYEFY-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP C[N@@H+](Cc1cccc(F)c1)CC1(C[NH3+])CCOCC1 ZINC000052181117 523311449 /nfs/dbraw/zinc/31/14/49/523311449.db2.gz CNSOSXBHGVEIOY-UHFFFAOYSA-N 2 1 266.360 2.013 10 0 CEAEMP CC[C@](C)(C[NH2+]C(C)(C)C)C[NH+](CCOC)CCOC ZINC000051258387 523463002 /nfs/dbraw/zinc/46/30/02/523463002.db2.gz VIPGQAALOVKISQ-MRXNPFEDSA-N 2 1 288.476 2.386 10 0 CEAEMP COCC[N@@H+]([C@H](C)CCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572407 523780130 /nfs/dbraw/zinc/78/01/30/523780130.db2.gz YZBIHBBSDIHIQR-CVEARBPZSA-N 2 1 288.476 2.384 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000055083581 523953137 /nfs/dbraw/zinc/95/31/37/523953137.db2.gz BIPAQGZWGAYNRZ-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@H]1CCC[C@@](CNc2cc[nH+]c(N(C)C)n2)([NH+](C)C)C1 ZINC000068690096 524172413 /nfs/dbraw/zinc/17/24/13/524172413.db2.gz NIPPFBJYJXUENC-XJKSGUPXSA-N 2 1 291.443 2.465 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1C ZINC000050563658 524217199 /nfs/dbraw/zinc/21/71/99/524217199.db2.gz QZIOULQODFQSHH-CHWSQXEVSA-N 2 1 275.396 2.204 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052382666 524618583 /nfs/dbraw/zinc/61/85/83/524618583.db2.gz IVTLDNRIBRFCKF-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052382666 524618586 /nfs/dbraw/zinc/61/85/86/524618586.db2.gz IVTLDNRIBRFCKF-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H](C[NH2+]C1CC1)C[N@@H+]1CCc2sccc2C1 ZINC000052382923 524734231 /nfs/dbraw/zinc/73/42/31/524734231.db2.gz UCMVICSSQQKJKY-NSHDSACASA-N 2 1 250.411 2.494 10 0 CEAEMP C[C@@H](C[NH2+]C1CC1)C[N@H+]1CCc2sccc2C1 ZINC000052382923 524734239 /nfs/dbraw/zinc/73/42/39/524734239.db2.gz UCMVICSSQQKJKY-NSHDSACASA-N 2 1 250.411 2.494 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068629673 525648648 /nfs/dbraw/zinc/64/86/48/525648648.db2.gz JCWDEBODAJDHOH-YLFCFFPRSA-N 2 1 279.472 2.310 10 0 CEAEMP NC(=[NH2+])c1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000068761828 526819907 /nfs/dbraw/zinc/81/99/07/526819907.db2.gz RCEOAKIBTLBONF-OAHLLOKOSA-N 2 1 280.375 2.355 10 0 CEAEMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399121462 628776640 /nfs/dbraw/zinc/77/66/40/628776640.db2.gz PEDQHHIWSCNEJP-CQSZACIVSA-N 2 1 262.397 2.102 10 0 CEAEMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258980791 628788150 /nfs/dbraw/zinc/78/81/50/628788150.db2.gz UXQHPLNHNLEYJG-JTQLQIEISA-N 2 1 254.761 2.048 10 0 CEAEMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261905712 629310228 /nfs/dbraw/zinc/31/02/28/629310228.db2.gz IEJJHBAHDUNSQD-BMFZPTHFSA-N 2 1 278.371 2.072 10 0 CEAEMP Fc1cccnc1O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261955056 629389668 /nfs/dbraw/zinc/38/96/68/629389668.db2.gz OOIIWUSURSYMRW-KGLIPLIRSA-N 2 1 293.386 2.064 10 0 CEAEMP Fc1cccnc1O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261955056 629389672 /nfs/dbraw/zinc/38/96/72/629389672.db2.gz OOIIWUSURSYMRW-KGLIPLIRSA-N 2 1 293.386 2.064 10 0 CEAEMP CC(C)[NH2+]C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000108369244 642283472 /nfs/dbraw/zinc/28/34/72/642283472.db2.gz MWICXKJJCANFBL-QGZVFWFLSA-N 2 1 276.424 2.357 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911062 651656470 /nfs/dbraw/zinc/65/64/70/651656470.db2.gz ZKUOPKUHZOVJHC-OLZOCXBDSA-N 2 1 267.442 2.083 10 0 CEAEMP C[NH2+][C@@](C)(CO)CCC[N@@H+](CCC(C)C)C1CC1 ZINC000096836993 185116414 /nfs/dbraw/zinc/11/64/14/185116414.db2.gz SMFQIJLOZUUJQL-OAHLLOKOSA-N 2 1 256.434 2.248 10 0 CEAEMP CC[NH2+][C@@](C)(CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096837001 185116575 /nfs/dbraw/zinc/11/65/75/185116575.db2.gz UOJOCICROYUVCO-OAHLLOKOSA-N 2 1 256.434 2.248 10 0 CEAEMP C[NH2+][C@](C)(CO)C[C@H](C)[N@@H+](CCC(C)C)C1CC1 ZINC000096836996 185116725 /nfs/dbraw/zinc/11/67/25/185116725.db2.gz HGFCDSYFWPJGHT-ZFWWWQNUSA-N 2 1 256.434 2.246 10 0 CEAEMP CCn1c2ccccc2cc(C[NH2+]CCC[NH+](C)C)c1=O ZINC000039287558 361987423 /nfs/dbraw/zinc/98/74/23/361987423.db2.gz OHYCRDDZZWOFRH-UHFFFAOYSA-N 2 1 287.407 2.063 10 0 CEAEMP CCc1nn(C)cc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000125523360 187189503 /nfs/dbraw/zinc/18/95/03/187189503.db2.gz QXKYWTPJMLMVNB-HIFRSBDPSA-N 2 1 278.444 2.383 10 0 CEAEMP c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000228553352 539346855 /nfs/dbraw/zinc/34/68/55/539346855.db2.gz YAFJVZSSYLXNBE-QZTJIDSGSA-N 2 1 286.419 2.476 10 0 CEAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+](C)C(C)(C)C2)c(F)c1 ZINC000142066427 344401928 /nfs/dbraw/zinc/40/19/28/344401928.db2.gz AWTCYCORUPMETO-LBPRGKRZSA-N 2 1 279.403 2.371 10 0 CEAEMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH2+]CC2 ZINC000169789907 344482908 /nfs/dbraw/zinc/48/29/08/344482908.db2.gz VMMZJSVPSPMMDM-CQSZACIVSA-N 2 1 280.437 2.196 10 0 CEAEMP CN(C)c1cc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)ccn1 ZINC000328635906 344757345 /nfs/dbraw/zinc/75/73/45/344757345.db2.gz NULYCWXOXYSTIO-HNNXBMFYSA-N 2 1 299.422 2.039 10 0 CEAEMP CN(C)c1cc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)ccn1 ZINC000328635906 344757348 /nfs/dbraw/zinc/75/73/48/344757348.db2.gz NULYCWXOXYSTIO-HNNXBMFYSA-N 2 1 299.422 2.039 10 0 CEAEMP C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328639054 344757617 /nfs/dbraw/zinc/75/76/17/344757617.db2.gz PJYHNIRQDSFCBO-CQSZACIVSA-N 2 1 298.390 2.461 10 0 CEAEMP C[N@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328639054 344757619 /nfs/dbraw/zinc/75/76/19/344757619.db2.gz PJYHNIRQDSFCBO-CQSZACIVSA-N 2 1 298.390 2.461 10 0 CEAEMP Cc1noc(C)c1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328655396 344757732 /nfs/dbraw/zinc/75/77/32/344757732.db2.gz YIGHGHJZSGATEC-CYBMUJFWSA-N 2 1 274.368 2.182 10 0 CEAEMP Cc1noc(C)c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328655396 344757735 /nfs/dbraw/zinc/75/77/35/344757735.db2.gz YIGHGHJZSGATEC-CYBMUJFWSA-N 2 1 274.368 2.182 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@H]12 ZINC000381839663 344825312 /nfs/dbraw/zinc/82/53/12/344825312.db2.gz JSQVPIKDTDGGRV-VBNZEHGJSA-N 2 1 267.376 2.404 10 0 CEAEMP CCC[NH2+][C@H](CCc1[nH+]ccn1C)c1cc(CC)nn1C ZINC000097452153 185609513 /nfs/dbraw/zinc/60/95/13/185609513.db2.gz LWYSNJQPHDJVTR-CQSZACIVSA-N 2 1 289.427 2.390 10 0 CEAEMP CC(C)[NH2+][C@](C)(CO)CCC[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000085212351 178976334 /nfs/dbraw/zinc/97/63/34/178976334.db2.gz FRPSTGKWUJTFPG-KKUMJFAQSA-N 2 1 256.434 2.103 10 0 CEAEMP CC[NH2+]Cc1ccccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094462772 136513682 /nfs/dbraw/zinc/51/36/82/136513682.db2.gz TXUSJHRHBSJWFY-OAHLLOKOSA-N 2 1 259.397 2.081 10 0 CEAEMP CC[C@H]1CCCC[N@@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085300050 179010688 /nfs/dbraw/zinc/01/06/88/179010688.db2.gz AMAKNHUCQVUPIU-HOTGVXAUSA-N 2 1 262.397 2.097 10 0 CEAEMP CC[C@H]1CCCC[N@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085300050 179010689 /nfs/dbraw/zinc/01/06/89/179010689.db2.gz AMAKNHUCQVUPIU-HOTGVXAUSA-N 2 1 262.397 2.097 10 0 CEAEMP CCC1(CC)CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000085519896 179087290 /nfs/dbraw/zinc/08/72/90/179087290.db2.gz ZVKSTQBYPIULAE-UHFFFAOYSA-N 2 1 278.444 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1Cc1cccnc1 ZINC000085623949 179106775 /nfs/dbraw/zinc/10/67/75/179106775.db2.gz IFZUEWFNKWXDSI-CJNGLKHVSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1Cc1cccnc1 ZINC000085623949 179106778 /nfs/dbraw/zinc/10/67/78/179106778.db2.gz IFZUEWFNKWXDSI-CJNGLKHVSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1Cc1ccccn1 ZINC000085623686 179106790 /nfs/dbraw/zinc/10/67/90/179106790.db2.gz MAHZFLRFMAHVOC-XJKSGUPXSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1Cc1ccccn1 ZINC000085623686 179106792 /nfs/dbraw/zinc/10/67/92/179106792.db2.gz MAHZFLRFMAHVOC-XJKSGUPXSA-N 2 1 259.397 2.434 10 0 CEAEMP COc1ccc(C[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000085616490 179103553 /nfs/dbraw/zinc/10/35/53/179103553.db2.gz ZPNBMDDGZAUWKU-INIZCTEOSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1ccc(C[N@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000085616490 179103554 /nfs/dbraw/zinc/10/35/54/179103554.db2.gz ZPNBMDDGZAUWKU-INIZCTEOSA-N 2 1 260.381 2.269 10 0 CEAEMP CC(C)CCOCC[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085615950 179104418 /nfs/dbraw/zinc/10/44/18/179104418.db2.gz FCBUDTPWUKYJKU-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)CCOCC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085615950 179104419 /nfs/dbraw/zinc/10/44/19/179104419.db2.gz FCBUDTPWUKYJKU-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP c1ccc(OCC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000085615957 179104816 /nfs/dbraw/zinc/10/48/16/179104816.db2.gz WZVVUSMUFTUXSK-INIZCTEOSA-N 2 1 260.381 2.139 10 0 CEAEMP c1ccc(OCC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000085615957 179104819 /nfs/dbraw/zinc/10/48/19/179104819.db2.gz WZVVUSMUFTUXSK-INIZCTEOSA-N 2 1 260.381 2.139 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000085623371 179106255 /nfs/dbraw/zinc/10/62/55/179106255.db2.gz AJCGCDHXQRDROB-CQSZACIVSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085971331 179206754 /nfs/dbraw/zinc/20/67/54/179206754.db2.gz JNXHIWCFRNGHBY-UGUYLWEFSA-N 2 1 268.445 2.248 10 0 CEAEMP C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173705 179245076 /nfs/dbraw/zinc/24/50/76/179245076.db2.gz NXUBSUUUIUUCRC-NUJGCVRESA-N 2 1 287.451 2.363 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223088 179250810 /nfs/dbraw/zinc/25/08/10/179250810.db2.gz LNBDZICTBDEZMC-HYVNUMGLSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225400 179253055 /nfs/dbraw/zinc/25/30/55/179253055.db2.gz SRFMLLLTKFREOL-LSDHHAIUSA-N 2 1 267.461 2.179 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259123 179257922 /nfs/dbraw/zinc/25/79/22/179257922.db2.gz IGXKDZHOFUQRET-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CCC[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086259123 179257924 /nfs/dbraw/zinc/25/79/24/179257924.db2.gz IGXKDZHOFUQRET-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086260750 179259869 /nfs/dbraw/zinc/25/98/69/179259869.db2.gz QVBREKUBJAPEHT-GVDBMIGSSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261038 179259960 /nfs/dbraw/zinc/25/99/60/179259960.db2.gz XRHTTZFGBSNZSM-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261038 179259962 /nfs/dbraw/zinc/25/99/62/179259962.db2.gz XRHTTZFGBSNZSM-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP C[N@H+]1CCC[C@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288916 179264259 /nfs/dbraw/zinc/26/42/59/179264259.db2.gz GHIJUHAMVRKGED-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP CN1CCC[C@H]([N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288916 179264260 /nfs/dbraw/zinc/26/42/60/179264260.db2.gz GHIJUHAMVRKGED-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP CN1CCC[C@H]([N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288916 179264262 /nfs/dbraw/zinc/26/42/62/179264262.db2.gz GHIJUHAMVRKGED-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP C[N@H+]1CCC[C@@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288945 179264562 /nfs/dbraw/zinc/26/45/62/179264562.db2.gz RLFUZLCVOSYRSE-SJORKVTESA-N 2 1 279.472 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086289437 179264714 /nfs/dbraw/zinc/26/47/14/179264714.db2.gz QVWIEUAKANVSDK-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP C1C[C@@H]2[C@@H](N3CCC[NH2+]C4(CCCCC4)C3)CC[N@H+]2C1 ZINC000086290848 179265341 /nfs/dbraw/zinc/26/53/41/179265341.db2.gz IIEUKYLZKOYUGN-CVEARBPZSA-N 2 1 277.456 2.221 10 0 CEAEMP CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259021 179257330 /nfs/dbraw/zinc/25/73/30/179257330.db2.gz IYEQVBQQYLOIAR-SJORKVTESA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(C[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291664 179266251 /nfs/dbraw/zinc/26/62/51/179266251.db2.gz LMBVTENBKFTTNN-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP Cc1csc(CC[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086296785 179267363 /nfs/dbraw/zinc/26/73/63/179267363.db2.gz JZXGQIDBIWAFQB-HNNXBMFYSA-N 2 1 279.453 2.458 10 0 CEAEMP Cc1csc(CC[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086296785 179267366 /nfs/dbraw/zinc/26/73/66/179267366.db2.gz JZXGQIDBIWAFQB-HNNXBMFYSA-N 2 1 279.453 2.458 10 0 CEAEMP Cc1ccc(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)cn1 ZINC000086296261 179268226 /nfs/dbraw/zinc/26/82/26/179268226.db2.gz OTGJUBKMNQMCET-MRXNPFEDSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1ccc(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)cn1 ZINC000086296261 179268229 /nfs/dbraw/zinc/26/82/29/179268229.db2.gz OTGJUBKMNQMCET-MRXNPFEDSA-N 2 1 259.397 2.354 10 0 CEAEMP CC[NH2+][C@@H]1CCCc2sc(N3CCC[N@@H+](C)CC3)nc21 ZINC000086441955 179293499 /nfs/dbraw/zinc/29/34/99/179293499.db2.gz ABDZERZARIJWSA-GFCCVEGCSA-N 2 1 294.468 2.272 10 0 CEAEMP CC[N@H+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C[C@@H]1C ZINC000086444154 179293795 /nfs/dbraw/zinc/29/37/95/179293795.db2.gz NDERYVLTTWPJJR-QWRGUYRKSA-N 2 1 280.441 2.010 10 0 CEAEMP CC(C)C[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817429 179344573 /nfs/dbraw/zinc/34/45/73/179344573.db2.gz VLRHFEFXGQSLJQ-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)N(C)C ZINC000086817429 179344575 /nfs/dbraw/zinc/34/45/75/179344575.db2.gz VLRHFEFXGQSLJQ-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)N(C)C ZINC000086817429 179344577 /nfs/dbraw/zinc/34/45/77/179344577.db2.gz VLRHFEFXGQSLJQ-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847105 179356509 /nfs/dbraw/zinc/35/65/09/179356509.db2.gz PMZNLMZDABTTIA-QGZVFWFLSA-N 2 1 290.455 2.105 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840502 179353030 /nfs/dbraw/zinc/35/30/30/179353030.db2.gz WFWLECVRFUAXRL-GJZGRUSLSA-N 2 1 264.417 2.124 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843127 179353117 /nfs/dbraw/zinc/35/31/17/179353117.db2.gz LVIGMCHZKATPPX-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843127 179353118 /nfs/dbraw/zinc/35/31/18/179353118.db2.gz LVIGMCHZKATPPX-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843127 179353120 /nfs/dbraw/zinc/35/31/20/179353120.db2.gz LVIGMCHZKATPPX-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CC[NH+]1CCC(N[C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086842249 179353463 /nfs/dbraw/zinc/35/34/63/179353463.db2.gz TXRACDIZYWZIEL-HNNXBMFYSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC([NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086842249 179353464 /nfs/dbraw/zinc/35/34/64/179353464.db2.gz TXRACDIZYWZIEL-HNNXBMFYSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC([NH2+][C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086842249 179353465 /nfs/dbraw/zinc/35/34/65/179353465.db2.gz TXRACDIZYWZIEL-HNNXBMFYSA-N 2 1 267.461 2.323 10 0 CEAEMP CCCCN(C)[C@@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846557 179354360 /nfs/dbraw/zinc/35/43/60/179354360.db2.gz XRCMRXVHUFTDRO-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846461 179354550 /nfs/dbraw/zinc/35/45/50/179354550.db2.gz VVJMXMQNFDILDT-HNNXBMFYSA-N 2 1 253.434 2.066 10 0 CEAEMP Cc1cccc(C[N@@H+](C)[C@]2(C[NH3+])CCCOCC2)c1 ZINC000086875071 179364688 /nfs/dbraw/zinc/36/46/88/179364688.db2.gz DVGJDSBVTCAIEJ-MRXNPFEDSA-N 2 1 262.397 2.325 10 0 CEAEMP Cc1cccc(C[N@H+](C)[C@]2(C[NH3+])CCCOCC2)c1 ZINC000086875071 179364689 /nfs/dbraw/zinc/36/46/89/179364689.db2.gz DVGJDSBVTCAIEJ-MRXNPFEDSA-N 2 1 262.397 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086850922 179358440 /nfs/dbraw/zinc/35/84/40/179358440.db2.gz TWOAXHZXWVXLHX-MRXNPFEDSA-N 2 1 273.424 2.471 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000086850968 179359071 /nfs/dbraw/zinc/35/90/71/179359071.db2.gz WVRPFLVFRAOALL-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP [NH3+]C[C@]1([N@H+]2CCCc3ccccc3C2)CCCOCC1 ZINC000086875758 179365555 /nfs/dbraw/zinc/36/55/55/179365555.db2.gz ZTUGCOZQLORUCG-KRWDZBQOSA-N 2 1 274.408 2.333 10 0 CEAEMP CC[C@H]1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917012 179367672 /nfs/dbraw/zinc/36/76/72/179367672.db2.gz GIPZLFBYJCEEBD-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087048478 179388332 /nfs/dbraw/zinc/38/83/32/179388332.db2.gz SDGCPFAPSBNNKP-CQSZACIVSA-N 2 1 268.445 2.392 10 0 CEAEMP C[NH+](C)C1CC[NH+](CCCC(C)(C)C(N)=S)CC1 ZINC000087607862 179453341 /nfs/dbraw/zinc/45/33/41/179453341.db2.gz UVLSYHAQKRHAFF-UHFFFAOYSA-N 2 1 271.474 2.105 10 0 CEAEMP COCc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000088569424 179627405 /nfs/dbraw/zinc/62/74/05/179627405.db2.gz APTQJIKXUSFBCF-CQSZACIVSA-N 2 1 262.397 2.394 10 0 CEAEMP COc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112396 179707493 /nfs/dbraw/zinc/70/74/93/179707493.db2.gz FTMIIWISFWBDJW-BXUZGUMPSA-N 2 1 266.360 2.394 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514771 233179357 /nfs/dbraw/zinc/17/93/57/233179357.db2.gz MSNGGJAWHOBMSO-BFYDXBDKSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514771 233179359 /nfs/dbraw/zinc/17/93/59/233179359.db2.gz MSNGGJAWHOBMSO-BFYDXBDKSA-N 2 1 275.440 2.095 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCCC[C@@H]1CC ZINC000090566096 180005903 /nfs/dbraw/zinc/00/59/03/180005903.db2.gz DGCPYEGTTODRSW-SOUVJXGZSA-N 2 1 254.418 2.266 10 0 CEAEMP CCCCCNC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000090694180 180026434 /nfs/dbraw/zinc/02/64/34/180026434.db2.gz FPZMEAXIMHOVDF-CQSZACIVSA-N 2 1 283.460 2.003 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894270 180056308 /nfs/dbraw/zinc/05/63/08/180056308.db2.gz YLUWGVQHWWLCHF-DKUMPPAJSA-N 2 1 276.355 2.083 10 0 CEAEMP CC(C)[C@@H]1C[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896183 180056799 /nfs/dbraw/zinc/05/67/99/180056799.db2.gz WOIBLWSLFQQQTO-HOTGVXAUSA-N 2 1 292.398 2.449 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896183 180056802 /nfs/dbraw/zinc/05/68/02/180056802.db2.gz WOIBLWSLFQQQTO-HOTGVXAUSA-N 2 1 292.398 2.449 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2cc(Cl)ccc2O1)C1CC[NH2+]CC1 ZINC000090900029 180059032 /nfs/dbraw/zinc/05/90/32/180059032.db2.gz ZWAQKMBLJQTUOL-AWEZNQCLSA-N 2 1 280.799 2.327 10 0 CEAEMP [NH3+]CC1([C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000669377311 539760369 /nfs/dbraw/zinc/76/03/69/539760369.db2.gz MFRCVYPPRCNEIK-KRWDZBQOSA-N 2 1 274.408 2.143 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)CC[C@H]1CSCC[NH2+]1 ZINC000091292162 180123580 /nfs/dbraw/zinc/12/35/80/180123580.db2.gz XEZRKSHRHPMULJ-ZDUSSCGKSA-N 2 1 274.474 2.219 10 0 CEAEMP CN(C)[C@@H]1CCC[N@@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000091449222 180157531 /nfs/dbraw/zinc/15/75/31/180157531.db2.gz PBVCVPKJGBOXTI-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH+](C)[C@@H]1CCCN(CCCC[NH2+]C(C)(C)C)C1 ZINC000091449222 180157533 /nfs/dbraw/zinc/15/75/33/180157533.db2.gz PBVCVPKJGBOXTI-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@@H+](CC1CC(O)C1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000091451682 180159051 /nfs/dbraw/zinc/15/90/51/180159051.db2.gz RTZKLCHSGJRDII-KVDYFSNESA-N 2 1 282.472 2.479 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091491131 180170260 /nfs/dbraw/zinc/17/02/60/180170260.db2.gz CLNHUPJUDXYUID-GPANFISMSA-N 2 1 270.461 2.494 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1csc(C)n1)[NH2+]C)[NH+](C)C ZINC000091570612 180195671 /nfs/dbraw/zinc/19/56/71/180195671.db2.gz HHXMJNURGVSMAK-OLZOCXBDSA-N 2 1 255.431 2.312 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1ccc[nH+]c1N ZINC000091573220 180196035 /nfs/dbraw/zinc/19/60/35/180196035.db2.gz CNDKRFHGYHGBOX-HIFRSBDPSA-N 2 1 265.401 2.078 10 0 CEAEMP CC[C@](C)([C@H](Cc1ncnn1C(C)C)[NH2+]C)[NH+]1CCCC1 ZINC000091607031 180203908 /nfs/dbraw/zinc/20/39/08/180203908.db2.gz DRSIPJOFJCNQDP-GOEBONIOSA-N 2 1 293.459 2.254 10 0 CEAEMP CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1ccc[nH+]c1N ZINC000091615669 180207710 /nfs/dbraw/zinc/20/77/10/180207710.db2.gz OABYZEJWJBASKF-CQSZACIVSA-N 2 1 279.428 2.468 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cnn(C)c1)C(CC)(CC)[NH+](C)C ZINC000091615032 180207905 /nfs/dbraw/zinc/20/79/05/180207905.db2.gz QPDNGHHEEWGEIG-HNNXBMFYSA-N 2 1 280.460 2.451 10 0 CEAEMP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])C(C)(C)[NH+](C)C ZINC000091528473 180179763 /nfs/dbraw/zinc/17/97/63/180179763.db2.gz KVXXRKZUTXXTHW-NSHDSACASA-N 2 1 272.824 2.075 10 0 CEAEMP CCC[NH2+][C@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCC1 ZINC000091536253 180182280 /nfs/dbraw/zinc/18/22/80/180182280.db2.gz XYKMDQURBTVWOA-OAHLLOKOSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535156 180182355 /nfs/dbraw/zinc/18/23/55/180182355.db2.gz LJMGQDXDGAIXMK-AWEZNQCLSA-N 2 1 276.428 2.059 10 0 CEAEMP CCC(CC)([C@H]([NH3+])Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091635020 180211511 /nfs/dbraw/zinc/21/15/11/180211511.db2.gz VUZWMSQGOCJZCI-CQSZACIVSA-N 2 1 293.459 2.383 10 0 CEAEMP CC[NH2+][C@H](CC[NH+](CC)CC)c1cnn(CC)c1 ZINC000091716631 180232944 /nfs/dbraw/zinc/23/29/44/180232944.db2.gz MAZYRXMFCNJLPG-CQSZACIVSA-N 2 1 252.406 2.286 10 0 CEAEMP CCC1CCC([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720785 180235999 /nfs/dbraw/zinc/23/59/99/180235999.db2.gz XCGRWYYOCQWLMO-NCOXYXGASA-N 2 1 266.429 2.393 10 0 CEAEMP Cc1ccc(C)c([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720649 180236886 /nfs/dbraw/zinc/23/68/86/180236886.db2.gz XHNGWWSPIFXXLO-KBMXLJTQSA-N 2 1 260.381 2.166 10 0 CEAEMP Cc1ccc(C)c([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720649 180236889 /nfs/dbraw/zinc/23/68/89/180236889.db2.gz XHNGWWSPIFXXLO-KBMXLJTQSA-N 2 1 260.381 2.166 10 0 CEAEMP CC[NH2+][C@@H](C)c1cccn1C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000091802147 180259151 /nfs/dbraw/zinc/25/91/51/180259151.db2.gz BICMHBUCVDQMRO-LSDHHAIUSA-N 2 1 279.428 2.268 10 0 CEAEMP CCC[NH2+][C@H](CC1CCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722347 180239906 /nfs/dbraw/zinc/23/99/06/180239906.db2.gz MXASSDYROBECRO-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](CC1CCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722347 180239907 /nfs/dbraw/zinc/23/99/07/180239907.db2.gz MXASSDYROBECRO-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](CC(C)C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722075 180241038 /nfs/dbraw/zinc/24/10/38/180241038.db2.gz FKGKRYILLBQLHU-RBSFLKMASA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@H](CC(C)C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722075 180241040 /nfs/dbraw/zinc/24/10/40/180241040.db2.gz FKGKRYILLBQLHU-RBSFLKMASA-N 2 1 254.418 2.264 10 0 CEAEMP CCCCNC(=O)[C@H](C)[N@@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852526 180273044 /nfs/dbraw/zinc/27/30/44/180273044.db2.gz WHMSFHCFGQSDCB-NFOMZHRRSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852380 180273143 /nfs/dbraw/zinc/27/31/43/180273143.db2.gz LCIKAQOERLHGJK-IYXRBSQSSA-N 2 1 283.460 2.272 10 0 CEAEMP CC[N@@H+]([C@@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091849639 180271293 /nfs/dbraw/zinc/27/12/93/180271293.db2.gz FCMVYJNYYDRGQR-YMAMQOFZSA-N 2 1 253.434 2.061 10 0 CEAEMP CC[N@@H+](CC(=O)Nc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000091851094 180272148 /nfs/dbraw/zinc/27/21/48/180272148.db2.gz ZFHSCROCSOEWMF-UHFFFAOYSA-N 2 1 293.386 2.356 10 0 CEAEMP C[N@@H+]1CCO[C@H](COC2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000092053568 180313132 /nfs/dbraw/zinc/31/31/32/180313132.db2.gz CKFJDZDFMSDZHF-CKDBGZEDSA-N 2 1 298.471 2.267 10 0 CEAEMP C[N@H+]1CCO[C@H](COC2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000092053568 180313133 /nfs/dbraw/zinc/31/31/33/180313133.db2.gz CKFJDZDFMSDZHF-CKDBGZEDSA-N 2 1 298.471 2.267 10 0 CEAEMP CCC[NH2+][C@@H](C)c1cccn1C[C@H]1C[N@@H+](CC)CCO1 ZINC000092060277 180315164 /nfs/dbraw/zinc/31/51/64/180315164.db2.gz RNMVYLOUGRTVKI-LSDHHAIUSA-N 2 1 279.428 2.269 10 0 CEAEMP C[NH2+]Cc1c(C)cc(C)nc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003346 180304369 /nfs/dbraw/zinc/30/43/69/180304369.db2.gz NNSIXSSQRFDKGQ-CABCVRRESA-N 2 1 288.439 2.091 10 0 CEAEMP CC[NH2+]CCCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003539 180304761 /nfs/dbraw/zinc/30/47/61/180304761.db2.gz PFRUKXUNIZMSAA-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(SC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092080070 180318788 /nfs/dbraw/zinc/31/87/88/180318788.db2.gz JBGUXCZPGXZDPQ-TZMCWYRMSA-N 2 1 280.437 2.390 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(SC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080070 180318790 /nfs/dbraw/zinc/31/87/90/180318790.db2.gz JBGUXCZPGXZDPQ-TZMCWYRMSA-N 2 1 280.437 2.390 10 0 CEAEMP C[C@H]1C[N@H+](CC[NH2+]CCc2cccs2)C[C@H]1C ZINC000092089535 180321360 /nfs/dbraw/zinc/32/13/60/180321360.db2.gz RRCOOTFPYKKNBN-BETUJISGSA-N 2 1 252.427 2.468 10 0 CEAEMP C[C@H]1C[N@@H+](CC[NH2+]CCc2cccs2)C[C@H]1C ZINC000092089535 180321363 /nfs/dbraw/zinc/32/13/63/180321363.db2.gz RRCOOTFPYKKNBN-BETUJISGSA-N 2 1 252.427 2.468 10 0 CEAEMP C[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc3S2)CC1 ZINC000092242498 180351289 /nfs/dbraw/zinc/35/12/89/180351289.db2.gz ZBEAQLGFGWVCJN-CQSZACIVSA-N 2 1 262.422 2.387 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000092274902 180356812 /nfs/dbraw/zinc/35/68/12/180356812.db2.gz FMMZCESBQHMAMF-CHWSQXEVSA-N 2 1 262.422 2.417 10 0 CEAEMP CC[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302671 180359270 /nfs/dbraw/zinc/35/92/70/180359270.db2.gz AZPUGXIHNJPWOH-HUUCEWRRSA-N 2 1 274.408 2.484 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H](CO)C(C)C)CC1 ZINC000092392428 180376092 /nfs/dbraw/zinc/37/60/92/180376092.db2.gz QKQPHTINCIYMNF-HNNXBMFYSA-N 2 1 254.418 2.024 10 0 CEAEMP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000092431234 180384209 /nfs/dbraw/zinc/38/42/09/180384209.db2.gz IOUCGOBPPLXJOU-HOCLYGCPSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000092431234 180384212 /nfs/dbraw/zinc/38/42/12/180384212.db2.gz IOUCGOBPPLXJOU-HOCLYGCPSA-N 2 1 259.397 2.354 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2sccc2C)CC[N@H+]1C ZINC000107919715 186197450 /nfs/dbraw/zinc/19/74/50/186197450.db2.gz SXWHXULIQPPVRV-STQMWFEESA-N 2 1 267.442 2.082 10 0 CEAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000092622043 180416410 /nfs/dbraw/zinc/41/64/10/180416410.db2.gz OTJGTRARQZUBKA-PVAVHDDUSA-N 2 1 275.440 2.409 10 0 CEAEMP CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc[nH+]c3C)ccc21 ZINC000109572863 186264092 /nfs/dbraw/zinc/26/40/92/186264092.db2.gz CNVARMNZWVEVKO-AWEZNQCLSA-N 2 1 270.336 2.174 10 0 CEAEMP CC[C@@H]1CN([C@@H](CC[NH3+])c2ccccc2)CC[N@H+]1C ZINC000110706033 186313763 /nfs/dbraw/zinc/31/37/63/186313763.db2.gz NPSAMOYHPKRBPY-CVEARBPZSA-N 2 1 261.413 2.103 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110701441 186313976 /nfs/dbraw/zinc/31/39/76/186313976.db2.gz DKQQHPKWDDWGKG-YWPYICTPSA-N 2 1 281.831 2.364 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccc(OC)cc2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703794 186314342 /nfs/dbraw/zinc/31/43/42/186314342.db2.gz CKNMOFXRRZGVBY-FRFSOERESA-N 2 1 291.439 2.110 10 0 CEAEMP CC(C)C1CCC(C[NH3+])(N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000110707828 186314347 /nfs/dbraw/zinc/31/43/47/186314347.db2.gz CKMQYXBUWJUSFI-FHERZECASA-N 2 1 267.461 2.166 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110716352 186315466 /nfs/dbraw/zinc/31/54/66/186315466.db2.gz BUHWIPOPIKZZAU-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717339 186315613 /nfs/dbraw/zinc/31/56/13/186315613.db2.gz JCRKTGOWYGNBMN-HUUCEWRRSA-N 2 1 267.461 2.323 10 0 CEAEMP CCc1ccccc1[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711721 186315637 /nfs/dbraw/zinc/31/56/37/186315637.db2.gz RBOHHCFPSABDNI-MRXNPFEDSA-N 2 1 275.440 2.275 10 0 CEAEMP CC[N@H+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])C[C@@H]1C ZINC000110714258 186316150 /nfs/dbraw/zinc/31/61/50/186316150.db2.gz FCHFXNRPJCASRF-XKQJLSEDSA-N 2 1 273.424 2.027 10 0 CEAEMP CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110715237 186316563 /nfs/dbraw/zinc/31/65/63/186316563.db2.gz ZGWBUAUARRXAIT-YESZJQIVSA-N 2 1 275.440 2.491 10 0 CEAEMP C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110713588 186316706 /nfs/dbraw/zinc/31/67/06/186316706.db2.gz WYQZRGQCOZOBSB-QGTPRVQTSA-N 2 1 287.451 2.288 10 0 CEAEMP CC[C@H]1CN(Cc2ccoc2C[NH2+]C(C)C)CC[N@H+]1C ZINC000110753880 186319935 /nfs/dbraw/zinc/31/99/35/186319935.db2.gz HHGCIECONXGVCY-HNNXBMFYSA-N 2 1 279.428 2.304 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747009 186321591 /nfs/dbraw/zinc/32/15/91/186321591.db2.gz JBEMBINIQDSQCH-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747009 186321593 /nfs/dbraw/zinc/32/15/93/186321593.db2.gz JBEMBINIQDSQCH-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747009 186321595 /nfs/dbraw/zinc/32/15/95/186321595.db2.gz JBEMBINIQDSQCH-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCN(Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@@H]1C ZINC000110752616 186321655 /nfs/dbraw/zinc/32/16/55/186321655.db2.gz OZPYLALAILEIAR-ZDUSSCGKSA-N 2 1 294.443 2.089 10 0 CEAEMP CC(C)[NH2+]C[C@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755123 186321786 /nfs/dbraw/zinc/32/17/86/186321786.db2.gz FBRBQQFJJRLWEQ-CQSZACIVSA-N 2 1 255.450 2.035 10 0 CEAEMP CC[C@@H]1C[N@@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110753641 186322055 /nfs/dbraw/zinc/32/20/55/186322055.db2.gz FIRIMXMLZMTBAS-CYBMUJFWSA-N 2 1 287.407 2.418 10 0 CEAEMP CC[C@@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@@H+]1C ZINC000110753641 186322056 /nfs/dbraw/zinc/32/20/56/186322056.db2.gz FIRIMXMLZMTBAS-CYBMUJFWSA-N 2 1 287.407 2.418 10 0 CEAEMP CC[C@@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@H+]1C ZINC000110753641 186322057 /nfs/dbraw/zinc/32/20/57/186322057.db2.gz FIRIMXMLZMTBAS-CYBMUJFWSA-N 2 1 287.407 2.418 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1C[NH3+])C[C@@H]1CCCOC1 ZINC000111157196 186361827 /nfs/dbraw/zinc/36/18/27/186361827.db2.gz AAOMZAQNAXMOIB-LBPRGKRZSA-N 2 1 266.360 2.143 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1cc(C)c(C[NH2+]C)o1 ZINC000111123863 186355508 /nfs/dbraw/zinc/35/55/08/186355508.db2.gz UCZJZLJSFXQUOT-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP Cc1ccc([C@H](O)[C@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143920 186358879 /nfs/dbraw/zinc/35/88/79/186358879.db2.gz ZULADHGJVIQDLU-GOEBONIOSA-N 2 1 264.413 2.300 10 0 CEAEMP Cc1ccc([C@H](O)[C@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143920 186358880 /nfs/dbraw/zinc/35/88/80/186358880.db2.gz ZULADHGJVIQDLU-GOEBONIOSA-N 2 1 264.413 2.300 10 0 CEAEMP C[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171873 186365928 /nfs/dbraw/zinc/36/59/28/186365928.db2.gz IHVGWLXUHXQWEY-KKUMJFAQSA-N 2 1 254.418 2.123 10 0 CEAEMP C[N@@H+](Cc1cccc(F)c1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111324514 186398115 /nfs/dbraw/zinc/39/81/15/186398115.db2.gz ZXKZCEQMKZRBBX-HNNXBMFYSA-N 2 1 266.360 2.013 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327416 186398234 /nfs/dbraw/zinc/39/82/34/186398234.db2.gz XEGCGUXQXLOQBC-QGZVFWFLSA-N 2 1 298.471 2.020 10 0 CEAEMP CCC[N@@H+](CC1CC1)C[C@]1(C[NH2+]C)CCCOC1 ZINC000111326721 186398919 /nfs/dbraw/zinc/39/89/19/186398919.db2.gz ODYVUOCREWKAJV-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP C[N@H+]1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1(C)C ZINC000111237480 186373821 /nfs/dbraw/zinc/37/38/21/186373821.db2.gz LJJYYCFSVDMGFY-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CN1CC[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CC1(C)C ZINC000111237480 186373822 /nfs/dbraw/zinc/37/38/22/186373822.db2.gz LJJYYCFSVDMGFY-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CN1CC[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CC1(C)C ZINC000111237480 186373823 /nfs/dbraw/zinc/37/38/23/186373823.db2.gz LJJYYCFSVDMGFY-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP C[N@@H+](CCOCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000309884124 539984453 /nfs/dbraw/zinc/98/44/53/539984453.db2.gz KPIJVKMQRBJYMD-INIZCTEOSA-N 2 1 262.397 2.277 10 0 CEAEMP CC[C@H]1CN(c2cc[nH+]cc2Br)CC[C@H]1[NH3+] ZINC000252836831 540008740 /nfs/dbraw/zinc/00/87/40/540008740.db2.gz XLOMAQJIDQFNPY-GXSJLCMTSA-N 2 1 284.201 2.408 10 0 CEAEMP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178306781 189104690 /nfs/dbraw/zinc/10/46/90/189104690.db2.gz CUBNXPXOFGJJOA-CYBMUJFWSA-N 2 1 260.341 2.153 10 0 CEAEMP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178306781 189104691 /nfs/dbraw/zinc/10/46/91/189104691.db2.gz CUBNXPXOFGJJOA-CYBMUJFWSA-N 2 1 260.341 2.153 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1cnccn1 ZINC000184601950 189389962 /nfs/dbraw/zinc/38/99/62/189389962.db2.gz BEMPWMNGZFHLPV-GXTWGEPZSA-N 2 1 271.368 2.207 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cnccn1 ZINC000184601950 189389963 /nfs/dbraw/zinc/38/99/63/189389963.db2.gz BEMPWMNGZFHLPV-GXTWGEPZSA-N 2 1 271.368 2.207 10 0 CEAEMP CC[C@H]1CN(c2cc[nH+]cc2Br)CC[C@@H]1[NH3+] ZINC000159919660 366959606 /nfs/dbraw/zinc/95/96/06/366959606.db2.gz XLOMAQJIDQFNPY-ONGXEEELSA-N 2 1 284.201 2.408 10 0 CEAEMP O[C@H](C[NH2+]Cc1cccc2[nH]ccc21)C[NH+]1CCCCC1 ZINC000171130202 367484402 /nfs/dbraw/zinc/48/44/02/367484402.db2.gz XTRDFURJBVJMOQ-OAHLLOKOSA-N 2 1 287.407 2.104 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231668621 370485201 /nfs/dbraw/zinc/48/52/01/370485201.db2.gz MHGRXQUQKFMQFC-OAHLLOKOSA-N 2 1 293.386 2.228 10 0 CEAEMP Cc1cccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231670932 370487747 /nfs/dbraw/zinc/48/77/47/370487747.db2.gz PHDNPKCOUDSLOW-OAHLLOKOSA-N 2 1 262.397 2.448 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]12 ZINC000261607310 371675234 /nfs/dbraw/zinc/67/52/34/371675234.db2.gz RRCBDNXCLZXDLL-BRWVUGGUSA-N 2 1 256.393 2.344 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545741 371641926 /nfs/dbraw/zinc/64/19/26/371641926.db2.gz KHJLJPIPOCLPJY-ZWKOTPCHSA-N 2 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545741 371641933 /nfs/dbraw/zinc/64/19/33/371641933.db2.gz KHJLJPIPOCLPJY-ZWKOTPCHSA-N 3 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545741 371641940 /nfs/dbraw/zinc/64/19/40/371641940.db2.gz KHJLJPIPOCLPJY-ZWKOTPCHSA-N 3 1 287.451 2.240 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3Br)C[C@@H]12 ZINC000261566412 371651621 /nfs/dbraw/zinc/65/16/21/371651621.db2.gz DMZLJCJLFLCEIT-FXPVBKGRSA-N 2 1 282.185 2.018 10 0 CEAEMP COCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261584693 371662282 /nfs/dbraw/zinc/66/22/82/371662282.db2.gz HXTSQLUYRXUONQ-XHSDSOJGSA-N 2 1 260.381 2.002 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1c1ccccc1 ZINC000261789738 371732627 /nfs/dbraw/zinc/73/26/27/371732627.db2.gz UVOSELLNWZJORF-HIFRSBDPSA-N 2 1 273.405 2.317 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@H]12 ZINC000261658573 371696078 /nfs/dbraw/zinc/69/60/78/371696078.db2.gz YWERCUJDMZJNLB-TUKIKUTGSA-N 2 1 280.799 2.388 10 0 CEAEMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262083958 371821322 /nfs/dbraw/zinc/82/13/22/371821322.db2.gz FRWBSQMJWAAHFE-XHSDSOJGSA-N 2 1 274.408 2.351 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCC[N@H+]1CCCC[C@@H]1C ZINC000085218171 184606262 /nfs/dbraw/zinc/60/62/62/184606262.db2.gz CHKIUPOOEBIZGX-LSDHHAIUSA-N 2 1 256.434 2.392 10 0 CEAEMP C[C@H]([NH2+]C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1nccs1 ZINC000080310334 177638208 /nfs/dbraw/zinc/63/82/08/177638208.db2.gz JLHNTGQZGNIWCH-OSUNSFLBSA-N 2 1 251.399 2.167 10 0 CEAEMP CC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](C)[C@@H](C)C(C)C ZINC000093616916 184696361 /nfs/dbraw/zinc/69/63/61/184696361.db2.gz QNOOUHJNOKIWOI-XHSDSOJGSA-N 2 1 270.461 2.494 10 0 CEAEMP c1cc(CC[N@@H+](CC2CC[NH2+]CC2)C2CC2)ccn1 ZINC000094042815 184751865 /nfs/dbraw/zinc/75/18/65/184751865.db2.gz WDQWMBMHXAJSDC-UHFFFAOYSA-N 2 1 259.397 2.088 10 0 CEAEMP CCC[C@H]([NH3+])[C@H](CC)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094459345 184804781 /nfs/dbraw/zinc/80/47/81/184804781.db2.gz GHDYHIBQZKBPDF-AJNGGQMLSA-N 2 1 253.434 2.061 10 0 CEAEMP C[C@@H]([NH2+]Cc1ccccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000400485048 533459959 /nfs/dbraw/zinc/45/99/59/533459959.db2.gz XCVLLRCCJAJPMG-MNOVXSKESA-N 2 1 270.323 2.376 10 0 CEAEMP CC[NH2+]C[C@H]1CCCN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000088760865 135056970 /nfs/dbraw/zinc/05/69/70/135056970.db2.gz IBQWGSPUYJHKNP-CYBMUJFWSA-N 2 1 262.401 2.173 10 0 CEAEMP C[NH+](C)[C@H]1CCCN(c2ccc(N)c3c[nH+]ccc32)C1 ZINC000091392820 135068287 /nfs/dbraw/zinc/06/82/87/135068287.db2.gz OFXMOGDMZNIPIP-LBPRGKRZSA-N 2 1 270.380 2.347 10 0 CEAEMP [NH3+]Cc1ccc(Cl)cc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094438315 135087559 /nfs/dbraw/zinc/08/75/59/135087559.db2.gz MWFWUYBAENOQCU-CQSZACIVSA-N 2 1 279.815 2.473 10 0 CEAEMP C[C@@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000306778920 394518099 /nfs/dbraw/zinc/51/80/99/394518099.db2.gz SMQPPMIXJOBFIE-KYHPRHEASA-N 2 1 287.451 2.332 10 0 CEAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](C)C1 ZINC000261927685 394609002 /nfs/dbraw/zinc/60/90/02/394609002.db2.gz LEHHLRIKAVTNIE-KFWWJZLASA-N 2 1 254.418 2.123 10 0 CEAEMP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000262010260 394610988 /nfs/dbraw/zinc/61/09/88/394610988.db2.gz VMPGSBUTZAKKGR-RRFJBIMHSA-N 2 1 266.429 2.313 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381590738 395175231 /nfs/dbraw/zinc/17/52/31/395175231.db2.gz DMJBUIIYPFPFCU-JHJVBQTASA-N 2 1 258.356 2.496 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381590738 395175234 /nfs/dbraw/zinc/17/52/34/395175234.db2.gz DMJBUIIYPFPFCU-JHJVBQTASA-N 2 1 258.356 2.496 10 0 CEAEMP OCCC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444570097 395437318 /nfs/dbraw/zinc/43/73/18/395437318.db2.gz GPZVWCALLCKZJL-OAHLLOKOSA-N 2 1 254.418 2.099 10 0 CEAEMP CC(=[NH2+])N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000307731163 400340344 /nfs/dbraw/zinc/34/03/44/400340344.db2.gz MHPWVHQAWVACKK-OWCLPIDISA-N 2 1 257.381 2.484 10 0 CEAEMP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178317429 165233621 /nfs/dbraw/zinc/23/36/21/165233621.db2.gz BTJREJMSSCJSHZ-HUUCEWRRSA-N 2 1 293.411 2.388 10 0 CEAEMP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178317429 165233623 /nfs/dbraw/zinc/23/36/23/165233623.db2.gz BTJREJMSSCJSHZ-HUUCEWRRSA-N 2 1 293.411 2.388 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cscn1)C2 ZINC000040505530 174301598 /nfs/dbraw/zinc/30/15/98/174301598.db2.gz DOLHWBOYOPBYQU-VGPLMAKISA-N 2 1 251.399 2.106 10 0 CEAEMP CCCCCC[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508117 174303109 /nfs/dbraw/zinc/30/31/09/174303109.db2.gz HIWSJLGNRVOWGK-HZPDHXFCSA-N 2 1 295.471 2.242 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000040593170 174347611 /nfs/dbraw/zinc/34/76/11/174347611.db2.gz MJXYWSBDWWBOAI-AWEZNQCLSA-N 2 1 262.397 2.440 10 0 CEAEMP C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040717006 174384680 /nfs/dbraw/zinc/38/46/80/174384680.db2.gz KRKKMIDNMXLYFU-CYBMUJFWSA-N 2 1 275.396 2.206 10 0 CEAEMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1O ZINC000040746536 174391266 /nfs/dbraw/zinc/39/12/66/174391266.db2.gz NFTMXEXNGJUDMP-PBWFPOADSA-N 2 1 276.380 2.116 10 0 CEAEMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1O ZINC000040746536 174391267 /nfs/dbraw/zinc/39/12/67/174391267.db2.gz NFTMXEXNGJUDMP-PBWFPOADSA-N 2 1 276.380 2.116 10 0 CEAEMP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000040749249 174393771 /nfs/dbraw/zinc/39/37/71/174393771.db2.gz UFFXSJHLISXRMU-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000040749249 174393773 /nfs/dbraw/zinc/39/37/73/174393773.db2.gz UFFXSJHLISXRMU-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCC[NH+]1CCCCCC1)C2 ZINC000040767056 174398343 /nfs/dbraw/zinc/39/83/43/174398343.db2.gz MQXIIONGLLHPRL-MQVJKMGUSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[NH2+][C@H](C)CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000043817811 175113170 /nfs/dbraw/zinc/11/31/70/175113170.db2.gz SOTKNUQQXJPEIK-NVXWUHKLSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)C1CCCCCC1 ZINC000043899746 175121725 /nfs/dbraw/zinc/12/17/25/175121725.db2.gz QGOLJXRYJBQEPJ-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899746 175121727 /nfs/dbraw/zinc/12/17/27/175121727.db2.gz QGOLJXRYJBQEPJ-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CCOC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906894 175122907 /nfs/dbraw/zinc/12/29/07/175122907.db2.gz ZZZWKXNVKUFMMP-AEGPPILISA-N 2 1 254.418 2.264 10 0 CEAEMP CCCC[N@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043968095 175128950 /nfs/dbraw/zinc/12/89/50/175128950.db2.gz KTYVTJVHUXWVLD-GJZGRUSLSA-N 2 1 282.428 2.135 10 0 CEAEMP CCCC[N@@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043968095 175128951 /nfs/dbraw/zinc/12/89/51/175128951.db2.gz KTYVTJVHUXWVLD-GJZGRUSLSA-N 2 1 282.428 2.135 10 0 CEAEMP C[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C2CCCC2)CC1 ZINC000045071273 175301359 /nfs/dbraw/zinc/30/13/59/175301359.db2.gz IRHOUFBIFCIUTK-HNNXBMFYSA-N 2 1 265.445 2.064 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272162 175342938 /nfs/dbraw/zinc/34/29/38/175342938.db2.gz LZYFQMIMMMBDCT-UXLLHSPISA-N 2 1 295.471 2.132 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272162 175342940 /nfs/dbraw/zinc/34/29/40/175342940.db2.gz LZYFQMIMMMBDCT-UXLLHSPISA-N 2 1 295.471 2.132 10 0 CEAEMP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045378516 175367447 /nfs/dbraw/zinc/36/74/47/175367447.db2.gz ZWAHJCYXHGXBOH-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH+](CCC)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045378611 175367596 /nfs/dbraw/zinc/36/75/96/175367596.db2.gz YVMHVDVHHNELGA-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045383723 175370708 /nfs/dbraw/zinc/37/07/08/175370708.db2.gz WMTQOTDOEAQLFA-OAHLLOKOSA-N 2 1 271.449 2.129 10 0 CEAEMP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383880 175371027 /nfs/dbraw/zinc/37/10/27/175371027.db2.gz QDRJOADOKOWVBW-OAHLLOKOSA-N 2 1 272.433 2.427 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C(C)C ZINC000045383880 175371028 /nfs/dbraw/zinc/37/10/28/175371028.db2.gz QDRJOADOKOWVBW-OAHLLOKOSA-N 2 1 272.433 2.427 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045387501 175372954 /nfs/dbraw/zinc/37/29/54/175372954.db2.gz GQOHNLJCUFKUAT-INIZCTEOSA-N 2 1 281.444 2.027 10 0 CEAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045387925 175374055 /nfs/dbraw/zinc/37/40/55/175374055.db2.gz JWOJGXGOFCEFHB-AWEZNQCLSA-N 2 1 258.406 2.169 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C(CC)CC)C(N)=O ZINC000045391455 175374599 /nfs/dbraw/zinc/37/45/99/175374599.db2.gz YSFXCKOFNARDSF-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[C@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000070368491 175897669 /nfs/dbraw/zinc/89/76/69/175897669.db2.gz RGEYUJTXSGYVJW-BARDWOONSA-N 2 1 254.418 2.393 10 0 CEAEMP C[C@H]1C[NH2+]C[C@H](C)C[NH+]([C@@H]2COc3ccccc32)C1 ZINC000070530735 175973460 /nfs/dbraw/zinc/97/34/60/175973460.db2.gz RXRMJSYQDGLWHA-KCQAQPDRSA-N 2 1 260.381 2.298 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@@H](C[NH3+])c1ccccc1 ZINC000070943295 176015848 /nfs/dbraw/zinc/01/58/48/176015848.db2.gz UMEUOVLAXZRTNX-OAHLLOKOSA-N 2 1 250.386 2.087 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])([N@@H+](CCOC)C2CC2)C1 ZINC000071123985 176035040 /nfs/dbraw/zinc/03/50/40/176035040.db2.gz HWJPUQGDPCVPBB-ZFWWWQNUSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+](CCOC)C2CC2)C1 ZINC000071123977 176035171 /nfs/dbraw/zinc/03/51/71/176035171.db2.gz HWJPUQGDPCVPBB-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071124898 176035361 /nfs/dbraw/zinc/03/53/61/176035361.db2.gz VPJWFKMYOKBSKO-BZUAXINKSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[C@H](C[C@@H](C)CC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148932 176044786 /nfs/dbraw/zinc/04/47/86/176044786.db2.gz YCRUNDUMMIARFS-LSDHHAIUSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188117 176062688 /nfs/dbraw/zinc/06/26/88/176062688.db2.gz QQXUANWICXTBTG-XYPHTWIQSA-N 2 1 293.430 2.488 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188138 176062965 /nfs/dbraw/zinc/06/29/65/176062965.db2.gz XHYWZQVXYGIQAM-YCPHGPKFSA-N 2 1 279.428 2.250 10 0 CEAEMP C[NH2+][C@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189401 176064585 /nfs/dbraw/zinc/06/45/85/176064585.db2.gz OIFQXMGZJFLCGW-CHWSQXEVSA-N 2 1 279.403 2.494 10 0 CEAEMP C[N@H+](C[C@H](O)c1cc2ccccc2o1)C[C@@H]1CC[NH+](C)C1 ZINC000071190570 176066124 /nfs/dbraw/zinc/06/61/24/176066124.db2.gz GLQRUQGGQNHZRI-HIFRSBDPSA-N 2 1 288.391 2.350 10 0 CEAEMP C[N@@H+](C[C@H](O)c1cc2ccccc2o1)C[C@@H]1CC[NH+](C)C1 ZINC000071190570 176066125 /nfs/dbraw/zinc/06/61/25/176066125.db2.gz GLQRUQGGQNHZRI-HIFRSBDPSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@H](O)c1cc2ccccc2o1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190570 176066126 /nfs/dbraw/zinc/06/61/26/176066126.db2.gz GLQRUQGGQNHZRI-HIFRSBDPSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@H](O)c1cc2ccccc2o1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190570 176066128 /nfs/dbraw/zinc/06/61/28/176066128.db2.gz GLQRUQGGQNHZRI-HIFRSBDPSA-N 2 1 288.391 2.350 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191401 176069606 /nfs/dbraw/zinc/06/96/06/176069606.db2.gz OYVKOTMVUPMOHS-IKGGRYGDSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191642 176069787 /nfs/dbraw/zinc/06/97/87/176069787.db2.gz VUQGPMKBXRVUSZ-OAHLLOKOSA-N 2 1 290.455 2.196 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191200 176070500 /nfs/dbraw/zinc/07/05/00/176070500.db2.gz HPQCUHCRTOFYJN-RBSFLKMASA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191200 176070502 /nfs/dbraw/zinc/07/05/02/176070502.db2.gz HPQCUHCRTOFYJN-RBSFLKMASA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071191200 176070503 /nfs/dbraw/zinc/07/05/03/176070503.db2.gz HPQCUHCRTOFYJN-RBSFLKMASA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071191200 176070505 /nfs/dbraw/zinc/07/05/05/176070505.db2.gz HPQCUHCRTOFYJN-RBSFLKMASA-N 2 1 266.429 2.265 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191416 176070637 /nfs/dbraw/zinc/07/06/37/176070637.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 2 1 289.467 2.467 10 0 CEAEMP CC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)oc1C ZINC000071191945 176071567 /nfs/dbraw/zinc/07/15/67/176071567.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 2 1 279.428 2.081 10 0 CEAEMP CC(C)[NH2+]Cc1nc(CN(C)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC000071192015 176071972 /nfs/dbraw/zinc/07/19/72/176071972.db2.gz YSYCMTWHYYAUEO-ZDUSSCGKSA-N 2 1 296.484 2.025 10 0 CEAEMP C[N@@H+](CCCCCC[NH2+]C1CC1)C1CCOCC1 ZINC000071288153 176110696 /nfs/dbraw/zinc/11/06/96/176110696.db2.gz WBYLOEVBNVOMBC-UHFFFAOYSA-N 2 1 254.418 2.410 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000390529759 262207254 /nfs/dbraw/zinc/20/72/54/262207254.db2.gz LGTCYUSRVDKRHX-ZWKOTPCHSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000390529759 262207255 /nfs/dbraw/zinc/20/72/55/262207255.db2.gz LGTCYUSRVDKRHX-ZWKOTPCHSA-N 2 1 287.451 2.383 10 0 CEAEMP COc1cc(Br)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398396631 270358024 /nfs/dbraw/zinc/35/80/24/270358024.db2.gz LRQHXPHZSRLRTC-JTQLQIEISA-N 2 1 299.212 2.157 10 0 CEAEMP Brc1c[nH+]ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571727 275377765 /nfs/dbraw/zinc/37/77/65/275377765.db2.gz HTYXWFZKLWKKQY-LBPRGKRZSA-N 2 1 282.185 2.034 10 0 CEAEMP CCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262051284 276225169 /nfs/dbraw/zinc/22/51/69/276225169.db2.gz ZQIYJRDOFLSIBJ-RRFJBIMHSA-N 2 1 266.429 2.313 10 0 CEAEMP CC(C)(C)OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247307931 277215617 /nfs/dbraw/zinc/21/56/17/277215617.db2.gz GTWIVWFVWIMDBV-CVEARBPZSA-N 2 1 298.471 2.113 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000245751207 278289404 /nfs/dbraw/zinc/28/94/04/278289404.db2.gz NVCCLYYLUQENGQ-JKSUJKDBSA-N 2 1 280.456 2.367 10 0 CEAEMP CCC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245653436 280254933 /nfs/dbraw/zinc/25/49/33/280254933.db2.gz IDWATPKTEDZISZ-CABCVRRESA-N 2 1 270.461 2.447 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419891 519743841 /nfs/dbraw/zinc/74/38/41/519743841.db2.gz SYQFDSFWESGRRN-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417526 519953677 /nfs/dbraw/zinc/95/36/77/519953677.db2.gz XVANIWHLFFYMTB-JKSUJKDBSA-N 2 1 262.397 2.276 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653659 520214055 /nfs/dbraw/zinc/21/40/55/520214055.db2.gz IACGPFGETOZFRR-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653659 520214062 /nfs/dbraw/zinc/21/40/62/520214062.db2.gz IACGPFGETOZFRR-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](CC)Cc1cccs1 ZINC000062741045 520307466 /nfs/dbraw/zinc/30/74/66/520307466.db2.gz MTNDQGOONUTTOQ-GFCCVEGCSA-N 2 1 256.415 2.324 10 0 CEAEMP CC[N@@H+](CC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000052180529 520937572 /nfs/dbraw/zinc/93/75/72/520937572.db2.gz BFDCJQTVYKLYKY-UHFFFAOYSA-N 2 1 254.418 2.397 10 0 CEAEMP CC[N@@H+](CC1CC1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000069239870 520958517 /nfs/dbraw/zinc/95/85/17/520958517.db2.gz BTJDLFYTALSDJO-UHFFFAOYSA-N 2 1 266.429 2.267 10 0 CEAEMP CCC(CC)[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052478136 521542794 /nfs/dbraw/zinc/54/27/94/521542794.db2.gz IRRVFZDJYLYCJM-UHFFFAOYSA-N 2 1 281.448 2.144 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c(C)o1 ZINC000052543612 522108796 /nfs/dbraw/zinc/10/87/96/522108796.db2.gz WXMJDYOCBTZEFD-LLVKDONJSA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c(C)o1 ZINC000052543612 522108805 /nfs/dbraw/zinc/10/88/05/522108805.db2.gz WXMJDYOCBTZEFD-LLVKDONJSA-N 2 1 266.385 2.307 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCCSCC2)O1 ZINC000052371161 518760780 /nfs/dbraw/zinc/76/07/80/518760780.db2.gz FLJHXTGRXUWIAF-KBPBESRZSA-N 2 1 286.485 2.361 10 0 CEAEMP CC(C)=CCN1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000049554234 519428650 /nfs/dbraw/zinc/42/86/50/519428650.db2.gz AOZNTAHYOAKSDY-HNNXBMFYSA-N 2 1 267.461 2.347 10 0 CEAEMP CC(C)[NH2+]C[C@](C)(C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000051207289 519726385 /nfs/dbraw/zinc/72/63/85/519726385.db2.gz PHFLSKYGAGZYHU-GOSISDBHSA-N 2 1 290.451 2.399 10 0 CEAEMP CC(C)CN1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000055077574 519727779 /nfs/dbraw/zinc/72/77/79/519727779.db2.gz ORTFNNJAIXAZOM-ARFHVFGLSA-N 2 1 267.461 2.024 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068648013 519740372 /nfs/dbraw/zinc/74/03/72/519740372.db2.gz DFUMHUYGNMPDJP-SUMWQHHRSA-N 2 1 295.471 2.129 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507220 519744547 /nfs/dbraw/zinc/74/45/47/519744547.db2.gz NHLFIHIWZNPGCT-CABCVRRESA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069311268 519745023 /nfs/dbraw/zinc/74/50/23/519745023.db2.gz GATVMERHEVJXSE-AWEZNQCLSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478897 519745313 /nfs/dbraw/zinc/74/53/13/519745313.db2.gz RRELIIMOPYCMGK-DLBZAZTESA-N 2 1 291.439 2.307 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[NH+]1CCN(CC(C)C)CC1 ZINC000055082923 519913194 /nfs/dbraw/zinc/91/31/94/519913194.db2.gz YWZHNEPBTMGPOX-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[NH2+]C[C@@H](c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000052424430 519923270 /nfs/dbraw/zinc/92/32/70/519923270.db2.gz JYCKFDKOHGWILC-KRWDZBQOSA-N 2 1 275.440 2.365 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478886 519937019 /nfs/dbraw/zinc/93/70/19/519937019.db2.gz LECQDWQPDDPIQD-CVEARBPZSA-N 2 1 277.412 2.061 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CC)O1 ZINC000052375337 519937992 /nfs/dbraw/zinc/93/79/92/519937992.db2.gz GXJSFYMCAIORJI-RRFJBIMHSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H](CC)C2)O1 ZINC000052479861 519978383 /nfs/dbraw/zinc/97/83/83/519978383.db2.gz QZKWEAOYRAQXEJ-KFWWJZLASA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CC)CCOC ZINC000052542801 520006077 /nfs/dbraw/zinc/00/60/77/520006077.db2.gz IWYCUNABKFGCKR-UHFFFAOYSA-N 2 1 250.386 2.264 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@@H]1CC ZINC000052481644 520009193 /nfs/dbraw/zinc/00/91/93/520009193.db2.gz AVVPAWPOGGTNNR-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](CC)CCOC ZINC000052542705 520009476 /nfs/dbraw/zinc/00/94/76/520009476.db2.gz JZCCBPLBGCBSJJ-UHFFFAOYSA-N 2 1 280.412 2.143 10 0 CEAEMP CC[NH2+]Cc1cn(CC[N@@H+](C)C2CCCCCC2)nn1 ZINC000052482064 520012300 /nfs/dbraw/zinc/01/23/00/520012300.db2.gz KARPRBPEVXIROD-UHFFFAOYSA-N 2 1 279.432 2.042 10 0 CEAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000053876124 520021146 /nfs/dbraw/zinc/02/11/46/520021146.db2.gz UGOHNUYDUCGYHW-BZUAXINKSA-N 2 1 268.445 2.392 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](CC)[C@@H](C)COC ZINC000052504825 520031240 /nfs/dbraw/zinc/03/12/40/520031240.db2.gz ABXHPYHLIDACDP-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+][C@@H](C)CCCCN1CCC([NH+](C)C)CC1 ZINC000045600400 520070816 /nfs/dbraw/zinc/07/08/16/520070816.db2.gz RHRILKSWLKAPAQ-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H](CN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000069073717 520099882 /nfs/dbraw/zinc/09/98/82/520099882.db2.gz ACGAZIHBTWNQAF-ZWKOTPCHSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000068645371 520143757 /nfs/dbraw/zinc/14/37/57/520143757.db2.gz ZBOYJLLGNLJYSA-HOCLYGCPSA-N 2 1 295.471 2.275 10 0 CEAEMP CC[NH2+][C@H](C)c1sc(N2CC[NH+](CC)CC2)nc1C ZINC000054899330 520183904 /nfs/dbraw/zinc/18/39/04/520183904.db2.gz IFEXUFWXEAFNFX-LLVKDONJSA-N 2 1 282.457 2.264 10 0 CEAEMP CCO[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052372265 520319585 /nfs/dbraw/zinc/31/95/85/520319585.db2.gz LQDYTDUIVYABMZ-DZGCQCFKSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@@H+](CC1(C[NH2+]C(C)C)CCOCC1)[C@H](C)COC ZINC000052182335 520937241 /nfs/dbraw/zinc/93/72/41/520937241.db2.gz YLNLDSPXUJTETK-OAHLLOKOSA-N 2 1 286.460 2.138 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)C)no1)[C@H](C)COC ZINC000052504848 521289158 /nfs/dbraw/zinc/28/91/58/521289158.db2.gz ZLCYFRSZXNUKGA-GFCCVEGCSA-N 2 1 269.389 2.029 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C)c(C)o1)[C@@H](C)COC ZINC000052504773 521289568 /nfs/dbraw/zinc/28/95/68/521289568.db2.gz VIRRHLHKSRGJSX-NSHDSACASA-N 2 1 254.374 2.164 10 0 CEAEMP CC[NH+]1CCC(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000052206128 521551610 /nfs/dbraw/zinc/55/16/10/521551610.db2.gz REAILHNZAGDYNI-INIZCTEOSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1occc1C[NH3+] ZINC000052573338 521562243 /nfs/dbraw/zinc/56/22/43/521562243.db2.gz IZIXVEKQJMXPNB-UHFFFAOYSA-N 2 1 254.374 2.375 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197801 521967866 /nfs/dbraw/zinc/96/78/66/521967866.db2.gz UPZCJMXGILZVHD-UHFFFAOYSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](CCOC)[C@@H](C)C2CC2)o1 ZINC000052545339 522116774 /nfs/dbraw/zinc/11/67/74/522116774.db2.gz PVTSQZYSKOZVKR-LBPRGKRZSA-N 2 1 266.385 2.246 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000052543584 522116848 /nfs/dbraw/zinc/11/68/48/522116848.db2.gz JQYKPCFGBRHFAR-ZDUSSCGKSA-N 2 1 262.397 2.405 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000052507584 522117648 /nfs/dbraw/zinc/11/76/48/522117648.db2.gz DCUSFTMJNQLBBM-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052511777 522221338 /nfs/dbraw/zinc/22/13/38/522221338.db2.gz YZDUJBOXEWVZMG-CYBMUJFWSA-N 2 1 268.401 2.492 10 0 CEAEMP C[NH2+][C@H](C)C[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000068654200 522440167 /nfs/dbraw/zinc/44/01/67/522440167.db2.gz ZLYYXXHVOSKNEC-CABCVRRESA-N 2 1 291.439 2.204 10 0 CEAEMP C[NH2+][C@H](CC[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000062437496 522460150 /nfs/dbraw/zinc/46/01/50/522460150.db2.gz DCMQPXLVJIWAQV-MRXNPFEDSA-N 2 1 295.471 2.417 10 0 CEAEMP CCc1[nH+]ccn1-c1ccc(F)cc1C[NH2+]CCOC ZINC000062738815 522579978 /nfs/dbraw/zinc/57/99/78/522579978.db2.gz PRWAGOSQEDWJGW-UHFFFAOYSA-N 2 1 277.343 2.310 10 0 CEAEMP COC1CC[NH+]([C@@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052455062 522707593 /nfs/dbraw/zinc/70/75/93/522707593.db2.gz IOSKLMUAUDFNEJ-HNNXBMFYSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@@H]1CCCC[N@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052447635 523173477 /nfs/dbraw/zinc/17/34/77/523173477.db2.gz IVSGLUFHVJCTKG-OAHLLOKOSA-N 2 1 293.459 2.431 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761315 523254274 /nfs/dbraw/zinc/25/42/74/523254274.db2.gz UTKCYVDMOBRXII-UHFFFAOYSA-N 2 1 272.327 2.137 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761315 523254282 /nfs/dbraw/zinc/25/42/82/523254282.db2.gz UTKCYVDMOBRXII-UHFFFAOYSA-N 2 1 272.327 2.137 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052572994 523619569 /nfs/dbraw/zinc/61/95/69/523619569.db2.gz AHVICYHVTJYQDR-UHFFFAOYSA-N 2 1 254.374 2.164 10 0 CEAEMP C[N@H+]1CCCN(c2ncc(C[NH2+]C(C)(C)C)s2)CC1 ZINC000054899103 523811751 /nfs/dbraw/zinc/81/17/51/523811751.db2.gz YPOOMBCZZHCTTB-UHFFFAOYSA-N 2 1 282.457 2.173 10 0 CEAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000062707786 523981445 /nfs/dbraw/zinc/98/14/45/523981445.db2.gz GDBVOSQXOQTBCU-SECBINFHSA-N 2 1 258.287 2.145 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000062707786 523981448 /nfs/dbraw/zinc/98/14/48/523981448.db2.gz GDBVOSQXOQTBCU-SECBINFHSA-N 2 1 258.287 2.145 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+][C@@H]1CCCSC1)C2 ZINC000061588817 524031295 /nfs/dbraw/zinc/03/12/95/524031295.db2.gz YBDBDPMVJOAQOV-CPIKKWJDSA-N 2 1 254.443 2.344 10 0 CEAEMP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125551 524302544 /nfs/dbraw/zinc/30/25/44/524302544.db2.gz JOKPHYFNVRZQMH-QKPAOTATSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000062940340 524336513 /nfs/dbraw/zinc/33/65/13/524336513.db2.gz IKYJZNSGXJSACM-BZUAXINKSA-N 2 1 265.445 2.064 10 0 CEAEMP C[C@H]1CC[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125526 524380823 /nfs/dbraw/zinc/38/08/23/524380823.db2.gz QZMRSUKXUBXGFQ-VGWMRTNUSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[C@]1(CN)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068630056 525647083 /nfs/dbraw/zinc/64/70/83/525647083.db2.gz XTKVHMHPSHCBLD-ZMSDIMECSA-N 2 1 281.488 2.414 10 0 CEAEMP NC(=[NH2+])C[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CCO ZINC000055022533 526816288 /nfs/dbraw/zinc/81/62/88/526816288.db2.gz VURIRHBENCPOER-CABCVRRESA-N 2 1 275.396 2.291 10 0 CEAEMP [NH3+][C@@H]1CCCCC[C@H]1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942088 527341695 /nfs/dbraw/zinc/34/16/95/527341695.db2.gz DODCTBHGJIJLCE-ARFHVFGLSA-N 2 1 265.445 2.064 10 0 CEAEMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398947896 628766124 /nfs/dbraw/zinc/76/61/24/628766124.db2.gz AJPYUSYFJWAHQO-CVEARBPZSA-N 2 1 268.445 2.248 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@H]12 ZINC000261582288 628941664 /nfs/dbraw/zinc/94/16/64/628941664.db2.gz RDELJZMNDFDFHX-LJWDBELGSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]12 ZINC000261582288 628941665 /nfs/dbraw/zinc/94/16/65/628941665.db2.gz RDELJZMNDFDFHX-LJWDBELGSA-N 2 1 252.308 2.134 10 0 CEAEMP C[NH+](C)Cc1ccc(-c2noc([C@H]3C[C@H](F)C[NH2+]3)n2)cc1 ZINC000261837000 629266816 /nfs/dbraw/zinc/26/68/16/629266816.db2.gz RPWKSJBVYMUGER-QWHCGFSZSA-N 2 1 290.342 2.171 10 0 CEAEMP CCc1cc(NCc2ccc(CC[NH3+])cc2)nc(C)[nH+]1 ZINC000088760594 640010292 /nfs/dbraw/zinc/01/02/92/640010292.db2.gz YJBKIROVALUYPS-UHFFFAOYSA-N 2 1 270.380 2.461 10 0 CEAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]cc3Cl)C[C@@H]21 ZINC000230135116 642564644 /nfs/dbraw/zinc/56/46/44/642564644.db2.gz BUUOTDGUJROTHQ-JBLDHEPKSA-N 2 1 251.761 2.299 10 0 CEAEMP CC(C)c1nc(N2CC[NH+](C)CC2)sc1C[NH2+]C1CC1 ZINC000082434893 178012258 /nfs/dbraw/zinc/01/22/58/178012258.db2.gz JDHYSZAIXYDCSD-UHFFFAOYSA-N 2 1 294.468 2.270 10 0 CEAEMP [NH3+]C[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096949612 185139086 /nfs/dbraw/zinc/13/90/86/185139086.db2.gz OESZXCWZYXXBBP-HZPDHXFCSA-N 2 1 260.381 2.016 10 0 CEAEMP C[C@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399178804 539263842 /nfs/dbraw/zinc/26/38/42/539263842.db2.gz KSTXQPHMMIAZTE-ZFWWWQNUSA-N 2 1 254.418 2.002 10 0 CEAEMP CCCNc1ccc[nH+]c1N(CC)C1CC[NH2+]CC1 ZINC000034508787 343420010 /nfs/dbraw/zinc/42/00/10/343420010.db2.gz RRNUJOVAKTYLIJ-UHFFFAOYSA-N 2 1 262.401 2.482 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[NH+](CCC)CCC)C(N)=O ZINC000084302484 178851332 /nfs/dbraw/zinc/85/13/32/178851332.db2.gz WZJPXKFIBDCHKJ-UKRRQHHQSA-N 2 1 271.449 2.131 10 0 CEAEMP CCOCC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403579 179052900 /nfs/dbraw/zinc/05/29/00/179052900.db2.gz BREGTTBGUDBXLF-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085568650 179094972 /nfs/dbraw/zinc/09/49/72/179094972.db2.gz WDJHEDDUSHHSTK-CQSZACIVSA-N 2 1 290.455 2.212 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617111 179104011 /nfs/dbraw/zinc/10/40/11/179104011.db2.gz IMHXMZSMKMFICC-LBPRGKRZSA-N 2 1 282.350 2.419 10 0 CEAEMP CC[C@H]1C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085614657 179104640 /nfs/dbraw/zinc/10/46/40/179104640.db2.gz ILWRICKBJDFVLJ-NSHDSACASA-N 2 1 268.323 2.029 10 0 CEAEMP C[N@H+]1CCC[C@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086145771 179239059 /nfs/dbraw/zinc/23/90/59/179239059.db2.gz MWLIFFYIXQJLPX-RDJZCZTQSA-N 2 1 279.472 2.182 10 0 CEAEMP CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218149 179249486 /nfs/dbraw/zinc/24/94/86/179249486.db2.gz ZUSWIOOPVOVQKD-UKMLZYKCSA-N 2 1 266.429 2.406 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H](C)[C@@H]1CCCO1 ZINC000086218149 179249488 /nfs/dbraw/zinc/24/94/88/179249488.db2.gz ZUSWIOOPVOVQKD-UKMLZYKCSA-N 2 1 266.429 2.406 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223090 179250542 /nfs/dbraw/zinc/25/05/42/179250542.db2.gz LNBDZICTBDEZMC-PVAVHDDUSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223980 179252880 /nfs/dbraw/zinc/25/28/80/179252880.db2.gz JRVHKGATEFNTHO-HUUCEWRRSA-N 2 1 265.445 2.077 10 0 CEAEMP C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223951 179253193 /nfs/dbraw/zinc/25/31/93/179253193.db2.gz ZFZXVBZHJINOMN-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CC(C)C[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224008 179253848 /nfs/dbraw/zinc/25/38/48/179253848.db2.gz DPEHHATZXOFKMK-ZACQAIPSSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C3CC3)NC[C@@H]2C(C)C)CC1 ZINC000086259150 179258050 /nfs/dbraw/zinc/25/80/50/179258050.db2.gz GEBYWFMLYGTLLP-ZWKOTPCHSA-N 2 1 293.499 2.427 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+](CCCC[NH+](C)C)[C@@H](C)CN1 ZINC000086261092 179260192 /nfs/dbraw/zinc/26/01/92/179260192.db2.gz WPNYUGXJJKQMEG-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCCC[NH+](C)C)[C@@H](C)CN1 ZINC000086261092 179260194 /nfs/dbraw/zinc/26/01/94/179260194.db2.gz WPNYUGXJJKQMEG-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@@H]1CN[C@@H](c2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086261033 179260668 /nfs/dbraw/zinc/26/06/68/179260668.db2.gz HVXLCQWBUPARNM-NVXWUHKLSA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1CCCC[NH+](C)C ZINC000086261033 179260671 /nfs/dbraw/zinc/26/06/71/179260671.db2.gz HVXLCQWBUPARNM-NVXWUHKLSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[C@H]1C[N@H+](CCOc2cccc(C)c2)CCC[NH2+]1 ZINC000086291094 179265630 /nfs/dbraw/zinc/26/56/30/179265630.db2.gz AGVYYOYEZYRNRG-HNNXBMFYSA-N 2 1 262.397 2.448 10 0 CEAEMP CC[C@H]1C[N@@H+](CCOc2cccc(C)c2)CCC[NH2+]1 ZINC000086291094 179265633 /nfs/dbraw/zinc/26/56/33/179265633.db2.gz AGVYYOYEZYRNRG-HNNXBMFYSA-N 2 1 262.397 2.448 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCCN[C@@H](C(C)(C)C)C2)CC1 ZINC000086291461 179266191 /nfs/dbraw/zinc/26/61/91/179266191.db2.gz PNEONAYHTSYYAM-OAHLLOKOSA-N 2 1 267.461 2.038 10 0 CEAEMP C[NH+]1CCC(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086291461 179266194 /nfs/dbraw/zinc/26/61/94/179266194.db2.gz PNEONAYHTSYYAM-OAHLLOKOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@@](C)(C3CC3)C2)CC1 ZINC000086291525 179266491 /nfs/dbraw/zinc/26/64/91/179266491.db2.gz FLTUFDBMNMYMCH-QGZVFWFLSA-N 2 1 279.472 2.182 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@@](C)(C3CC3)C2)CC1 ZINC000086291525 179266493 /nfs/dbraw/zinc/26/64/93/179266493.db2.gz FLTUFDBMNMYMCH-QGZVFWFLSA-N 2 1 279.472 2.182 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CN1CCC[NH2+]C2(CCCC2)C1 ZINC000086291693 179266746 /nfs/dbraw/zinc/26/67/46/179266746.db2.gz JBNLRPYGMYTSBA-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296829 179268075 /nfs/dbraw/zinc/26/80/75/179268075.db2.gz NTUXZXOPSKHQPJ-CHWSQXEVSA-N 2 1 267.442 2.396 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296829 179268077 /nfs/dbraw/zinc/26/80/77/179268077.db2.gz NTUXZXOPSKHQPJ-CHWSQXEVSA-N 2 1 267.442 2.396 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]CCOC2CCCCC2)CC1 ZINC000086819129 179348583 /nfs/dbraw/zinc/34/85/83/179348583.db2.gz YCTSAAIYXODFSR-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP C[N@H+]1CCC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000086817247 179344996 /nfs/dbraw/zinc/34/49/96/179344996.db2.gz XIIMMWXYRPHOFP-HOTGVXAUSA-N 2 1 291.439 2.490 10 0 CEAEMP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817247 179344997 /nfs/dbraw/zinc/34/49/97/179344997.db2.gz XIIMMWXYRPHOFP-HOTGVXAUSA-N 2 1 291.439 2.490 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000086817247 179344998 /nfs/dbraw/zinc/34/49/98/179344998.db2.gz XIIMMWXYRPHOFP-HOTGVXAUSA-N 2 1 291.439 2.490 10 0 CEAEMP CC[NH+](CC)CCN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835483 179349621 /nfs/dbraw/zinc/34/96/21/179349621.db2.gz OVEGNHHFHORFPF-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCOC1CCN([C@]2(C[NH3+])CCC[N@H+](C(C)C)CC2)CC1 ZINC000086847416 179356237 /nfs/dbraw/zinc/35/62/37/179356237.db2.gz UDFMOQSOTAQCIN-QGZVFWFLSA-N 2 1 297.487 2.079 10 0 CEAEMP CCCN(CC1CC1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847869 179356612 /nfs/dbraw/zinc/35/66/12/179356612.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+](CC1CC1)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086847869 179356614 /nfs/dbraw/zinc/35/66/14/179356614.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@@H+](CC1CC1)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086847869 179356617 /nfs/dbraw/zinc/35/66/17/179356617.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+](CC1CC1)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086847869 179356619 /nfs/dbraw/zinc/35/66/19/179356619.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+](CC1CC1)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086847869 179356621 /nfs/dbraw/zinc/35/66/21/179356621.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086836782 179350987 /nfs/dbraw/zinc/35/09/87/179350987.db2.gz HHHWGRIMTSPTHR-OAHLLOKOSA-N 2 1 277.412 2.443 10 0 CEAEMP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)cn1 ZINC000086836782 179350990 /nfs/dbraw/zinc/35/09/90/179350990.db2.gz HHHWGRIMTSPTHR-OAHLLOKOSA-N 2 1 277.412 2.443 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839287 179351013 /nfs/dbraw/zinc/35/10/13/179351013.db2.gz RPAHUFVTSYKXKH-DZGCQCFKSA-N 2 1 276.428 2.262 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840470 179352905 /nfs/dbraw/zinc/35/29/05/179352905.db2.gz OZFLDHDCMMMJCJ-GJZGRUSLSA-N 2 1 264.417 2.124 10 0 CEAEMP CCN(CC)C(=O)CC[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841069 179354034 /nfs/dbraw/zinc/35/40/34/179354034.db2.gz LMSMEVULXINYMT-OAHLLOKOSA-N 2 1 283.460 2.097 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845894 179354940 /nfs/dbraw/zinc/35/49/40/179354940.db2.gz URCQZSFOZMUPBU-KKUMJFAQSA-N 2 1 254.418 2.002 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCOC2CCCC2)CC1 ZINC000086845145 179355353 /nfs/dbraw/zinc/35/53/53/179355353.db2.gz HUULHGWKEGXLCG-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844133 179355616 /nfs/dbraw/zinc/35/56/16/179355616.db2.gz ZSURIFLKEFWWKH-ZNMIVQPWSA-N 2 1 254.418 2.142 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868241 179360456 /nfs/dbraw/zinc/36/04/56/179360456.db2.gz GOSJMCSUZDOSTB-HNNXBMFYSA-N 2 1 282.453 2.465 10 0 CEAEMP CCC[N@H+]1CCC[C@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868241 179360458 /nfs/dbraw/zinc/36/04/58/179360458.db2.gz GOSJMCSUZDOSTB-HNNXBMFYSA-N 2 1 282.453 2.465 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000086910561 179367178 /nfs/dbraw/zinc/36/71/78/179367178.db2.gz UFVSHQNKMRSUEL-JKSUJKDBSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000087045874 179388092 /nfs/dbraw/zinc/38/80/92/179388092.db2.gz FQOUEUMMERQGBJ-PCKAHOCUSA-N 2 1 268.445 2.392 10 0 CEAEMP COc1c(C)c[nH+]c(CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC000087165847 179398843 /nfs/dbraw/zinc/39/88/43/179398843.db2.gz BKARBGRXXAYJOC-UHFFFAOYSA-N 2 1 292.423 2.485 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(OC[C@@H]2CCCC[N@H+]2C)n1 ZINC000088166112 179561043 /nfs/dbraw/zinc/56/10/43/179561043.db2.gz FGFNOQOJYMVDKT-HNNXBMFYSA-N 2 1 277.412 2.443 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1OC ZINC000090566339 180005343 /nfs/dbraw/zinc/00/53/43/180005343.db2.gz TXKITIUIIAFRRV-CVEARBPZSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1OC ZINC000090566339 180005344 /nfs/dbraw/zinc/00/53/44/180005344.db2.gz TXKITIUIIAFRRV-CVEARBPZSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000090566328 180005371 /nfs/dbraw/zinc/00/53/71/180005371.db2.gz NWYMCAOGUZYXKF-DOTOQJQBSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000090566148 180005733 /nfs/dbraw/zinc/00/57/33/180005733.db2.gz FBWSEHHRTIOORW-ZIAGYGMSSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000090566148 180005736 /nfs/dbraw/zinc/00/57/36/180005736.db2.gz FBWSEHHRTIOORW-ZIAGYGMSSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[N@H+](C[C@@H]1Cc2ccccc2O1)C(C)(C)C[NH3+] ZINC000090874041 180049832 /nfs/dbraw/zinc/04/98/32/180049832.db2.gz HNAYYVGFIALRSL-AWEZNQCLSA-N 2 1 262.397 2.439 10 0 CEAEMP CCC[N@@H+](C[C@@H]1Cc2ccccc2O1)C(C)(C)C[NH3+] ZINC000090874041 180049833 /nfs/dbraw/zinc/04/98/33/180049833.db2.gz HNAYYVGFIALRSL-AWEZNQCLSA-N 2 1 262.397 2.439 10 0 CEAEMP c1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874332 180050400 /nfs/dbraw/zinc/05/04/00/180050400.db2.gz MBFIDSATWZUCCB-BBRMVZONSA-N 2 1 272.392 2.064 10 0 CEAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879178 180053280 /nfs/dbraw/zinc/05/32/80/180053280.db2.gz PKMLMISBEBAKQB-HNNXBMFYSA-N 2 1 280.387 2.436 10 0 CEAEMP Fc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090896193 180056838 /nfs/dbraw/zinc/05/68/38/180056838.db2.gz SSMUWSJGAYNKKZ-CVEARBPZSA-N 2 1 290.382 2.203 10 0 CEAEMP Fc1ccc2c(c1)C[C@H](C[N@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090896193 180056840 /nfs/dbraw/zinc/05/68/40/180056840.db2.gz SSMUWSJGAYNKKZ-CVEARBPZSA-N 2 1 290.382 2.203 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)O2 ZINC000090897791 180057497 /nfs/dbraw/zinc/05/74/97/180057497.db2.gz JKFXVVHYAHRGNL-HOCLYGCPSA-N 2 1 274.408 2.230 10 0 CEAEMP [NH3+]CC1([C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000669377278 539760058 /nfs/dbraw/zinc/76/00/58/539760058.db2.gz LMYJIFDDMLDMKQ-KRWDZBQOSA-N 2 1 274.408 2.143 10 0 CEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Cl)s1 ZINC000091313838 180132904 /nfs/dbraw/zinc/13/29/04/180132904.db2.gz HPAIYXRWZWKSPZ-JTQLQIEISA-N 2 1 274.817 2.212 10 0 CEAEMP CC(C)[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000091313881 180133151 /nfs/dbraw/zinc/13/31/51/180133151.db2.gz PVUJOBYEAYZABH-ZDUSSCGKSA-N 2 1 268.426 2.337 10 0 CEAEMP CCCNC(=O)C[C@@H](C[NH3+])[NH+]1CCC(CC)(CC)CC1 ZINC000091317560 180133504 /nfs/dbraw/zinc/13/35/04/180133504.db2.gz WHCLOAAAJDFRQA-AWEZNQCLSA-N 2 1 283.460 2.132 10 0 CEAEMP C[C@H](c1ccccc1F)[N@@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091314178 180134038 /nfs/dbraw/zinc/13/40/38/180134038.db2.gz TVPSCFTWIRVESS-CHWSQXEVSA-N 2 1 266.360 2.197 10 0 CEAEMP [NH3+]C[C@@H](CC(=O)N1CCCCC1)[NH2+]C1CCCCCC1 ZINC000091325573 180135408 /nfs/dbraw/zinc/13/54/08/180135408.db2.gz UJKZSTYKZLZHQS-OAHLLOKOSA-N 2 1 281.444 2.029 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490557 180170217 /nfs/dbraw/zinc/17/02/17/180170217.db2.gz UXSNZQSQGADDKF-GYTBAZASSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(CC)c1)[C@@](C)(CC)[NH+](C)C ZINC000091571193 180195554 /nfs/dbraw/zinc/19/55/54/180195554.db2.gz CICUMPHFJDBARQ-HUUCEWRRSA-N 2 1 266.433 2.154 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(C)nn1CC)[C@@](C)(CC)[NH+](C)C ZINC000091571369 180195845 /nfs/dbraw/zinc/19/58/45/180195845.db2.gz IHLZGLCXRLQODX-HZPDHXFCSA-N 2 1 280.460 2.462 10 0 CEAEMP CCn1cc(C[C@H]([NH2+]C)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091606300 180204231 /nfs/dbraw/zinc/20/42/31/180204231.db2.gz SDPIECRUWTZOEZ-HOTGVXAUSA-N 2 1 278.444 2.298 10 0 CEAEMP CCn1nc(C)cc1C[C@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 ZINC000091605396 180204394 /nfs/dbraw/zinc/20/43/94/180204394.db2.gz RNSOQMMFZHNOAW-JKSUJKDBSA-N 2 1 278.444 2.346 10 0 CEAEMP CC[NH2+][C@H](Cc1cccnc1N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607270 180204718 /nfs/dbraw/zinc/20/47/18/180204718.db2.gz QVGUEFWTRQKCMO-NVXWUHKLSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[C@@](C)([C@@H](O)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608883 180205095 /nfs/dbraw/zinc/20/50/95/180205095.db2.gz OGLHWLAHVDOTGS-GJZGRUSLSA-N 2 1 263.385 2.352 10 0 CEAEMP CC[C@](C)([C@@H]([NH3+])Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609300 180205277 /nfs/dbraw/zinc/20/52/77/180205277.db2.gz OIEWWWQZPLNBCI-JKSUJKDBSA-N 2 1 278.444 2.253 10 0 CEAEMP C[NH2+][C@@H](CC[C@@H]1CCCO1)C(C)(C)[NH+]1CCCC1 ZINC000091534550 180181609 /nfs/dbraw/zinc/18/16/09/180181609.db2.gz BCACUXIIJDDZTR-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCC1 ZINC000091536125 180182230 /nfs/dbraw/zinc/18/22/30/180182230.db2.gz LRPVCPXNHYTBGT-OAHLLOKOSA-N 2 1 290.455 2.449 10 0 CEAEMP CC1CCC([C@H](O)Cc2cc[nH+]c(N)c2)([NH+](C)C)CC1 ZINC000091648455 180216211 /nfs/dbraw/zinc/21/62/11/180216211.db2.gz CQUZEHAYSFABND-CXOJTPOUSA-N 2 1 277.412 2.078 10 0 CEAEMP Cc1cc(C)c([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720184 180235334 /nfs/dbraw/zinc/23/53/34/180235334.db2.gz VFEWGWFFPJLXEK-OIISXLGYSA-N 2 1 274.408 2.475 10 0 CEAEMP Cc1cc(C)c([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720184 180235335 /nfs/dbraw/zinc/23/53/35/180235335.db2.gz VFEWGWFFPJLXEK-OIISXLGYSA-N 2 1 274.408 2.475 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721757 180238084 /nfs/dbraw/zinc/23/80/84/180238084.db2.gz PYHHFSUVARBOGJ-ZACQAIPSSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721757 180238087 /nfs/dbraw/zinc/23/80/87/180238087.db2.gz PYHHFSUVARBOGJ-ZACQAIPSSA-N 2 1 292.398 2.210 10 0 CEAEMP C[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721449 180238920 /nfs/dbraw/zinc/23/89/20/180238920.db2.gz AJPMILQUZFZYDF-OAGGEKHMSA-N 2 1 294.826 2.334 10 0 CEAEMP C[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721449 180238922 /nfs/dbraw/zinc/23/89/22/180238922.db2.gz AJPMILQUZFZYDF-OAGGEKHMSA-N 2 1 294.826 2.334 10 0 CEAEMP CC[N@@H+]([C@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091850755 180272396 /nfs/dbraw/zinc/27/23/96/180272396.db2.gz RDKDHBWMFVABMS-DNOWBOINSA-N 2 1 281.444 2.026 10 0 CEAEMP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091851103 180272513 /nfs/dbraw/zinc/27/25/13/180272513.db2.gz ZMFPNUFJPCEGAE-SLTXQBBLSA-N 2 1 295.471 2.273 10 0 CEAEMP CCC[N@@H+](Cc1cn2cccnc2n1)C1CCC([NH3+])CC1 ZINC000091852523 180272726 /nfs/dbraw/zinc/27/27/26/180272726.db2.gz GFEKGMJNRVVSOH-UHFFFAOYSA-N 2 1 287.411 2.211 10 0 CEAEMP CCCN1CCC([N@@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849945 180271970 /nfs/dbraw/zinc/27/19/70/180271970.db2.gz SPHBRYDEFICWFW-UHFFFAOYSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[NH+]1CCC([N@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849945 180271973 /nfs/dbraw/zinc/27/19/73/180271973.db2.gz SPHBRYDEFICWFW-UHFFFAOYSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+]1CCC([N@@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849945 180271975 /nfs/dbraw/zinc/27/19/75/180271975.db2.gz SPHBRYDEFICWFW-UHFFFAOYSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CCC(=O)NC(C)C)CC1 ZINC000091870189 180277448 /nfs/dbraw/zinc/27/74/48/180277448.db2.gz NCDISONOZLCHHI-UHFFFAOYSA-N 2 1 283.460 2.144 10 0 CEAEMP CC[C@@H]1C[C@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871212 180277567 /nfs/dbraw/zinc/27/75/67/180277567.db2.gz YBAPTFZJTLQDPF-NEXFUWMNSA-N 2 1 254.418 2.406 10 0 CEAEMP CC(C)[NH2+]CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003044 180304320 /nfs/dbraw/zinc/30/43/20/180304320.db2.gz QRXBNPCOKOJDGN-CABCVRRESA-N 2 1 267.461 2.179 10 0 CEAEMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1CC[NH3+] ZINC000092005030 180305419 /nfs/dbraw/zinc/30/54/19/180305419.db2.gz IGUMNVOWOISPIQ-WBVHZDCISA-N 2 1 273.424 2.169 10 0 CEAEMP CC[N@H+](CCSc1ccccc1)CCC(N)=[NH2+] ZINC000092262291 180354548 /nfs/dbraw/zinc/35/45/48/180354548.db2.gz DDOSBQYMWVSAJC-UHFFFAOYSA-N 2 1 251.399 2.427 10 0 CEAEMP CC[N@@H+](CCSc1ccccc1)CCC(N)=[NH2+] ZINC000092262291 180354550 /nfs/dbraw/zinc/35/45/50/180354550.db2.gz DDOSBQYMWVSAJC-UHFFFAOYSA-N 2 1 251.399 2.427 10 0 CEAEMP C[C@H](C[N@@H+](C)C[C@@H]1CSc2ccccc21)C(N)=[NH2+] ZINC000092288226 180357556 /nfs/dbraw/zinc/35/75/56/180357556.db2.gz MUQALRVYPBDTAX-GHMZBOCLSA-N 2 1 263.410 2.380 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307381 180360694 /nfs/dbraw/zinc/36/06/94/180360694.db2.gz JFRBROXOLDJESK-ZBFHGGJFSA-N 2 1 274.408 2.483 10 0 CEAEMP COc1ccc2c(c1)[C@H]([NH3+])[C@H](n1cc[nH+]c1C)CC2 ZINC000092386057 180373761 /nfs/dbraw/zinc/37/37/61/180373761.db2.gz HNCKXJPVBWPNSY-CABCVRRESA-N 2 1 257.337 2.387 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000109604115 186267581 /nfs/dbraw/zinc/26/75/81/186267581.db2.gz JZUJQUPZXCVQCY-AWEZNQCLSA-N 2 1 294.370 2.202 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1nc2ccccc2cc1C[NH3+] ZINC000109359495 186249831 /nfs/dbraw/zinc/24/98/31/186249831.db2.gz GTNCWXIPABDQPL-CYBMUJFWSA-N 2 1 284.407 2.081 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1CC[N@H+](C2CC2)C1 ZINC000110629959 186307281 /nfs/dbraw/zinc/30/72/81/186307281.db2.gz DBWRUSYPXYVAFU-SNVBAGLBSA-N 2 1 290.342 2.175 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000110805294 186325912 /nfs/dbraw/zinc/32/59/12/186325912.db2.gz FVGDFEWUXVMVMC-CYBMUJFWSA-N 2 1 275.396 2.471 10 0 CEAEMP CCC[N@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945972 186335755 /nfs/dbraw/zinc/33/57/55/186335755.db2.gz NTYMOQLTXPNOGP-IAGOWNOFSA-N 2 1 276.424 2.358 10 0 CEAEMP CCC[N@@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945972 186335756 /nfs/dbraw/zinc/33/57/56/186335756.db2.gz NTYMOQLTXPNOGP-IAGOWNOFSA-N 2 1 276.424 2.358 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccccc2C)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703924 186313699 /nfs/dbraw/zinc/31/36/99/186313699.db2.gz FGJKZORVMDWVQX-BFYDXBDKSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110715573 186315352 /nfs/dbraw/zinc/31/53/52/186315352.db2.gz MQXLIBKGSVCORJ-JQHSSLGASA-N 2 1 287.451 2.288 10 0 CEAEMP CC[C@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@H+]1C ZINC000110754525 186319816 /nfs/dbraw/zinc/31/98/16/186319816.db2.gz WIVVWPPNKSPBKP-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110754525 186319817 /nfs/dbraw/zinc/31/98/17/186319817.db2.gz WIVVWPPNKSPBKP-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CCN1C ZINC000110754525 186319818 /nfs/dbraw/zinc/31/98/18/186319818.db2.gz WIVVWPPNKSPBKP-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[NH2+]Cc1ccccc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110755447 186319904 /nfs/dbraw/zinc/31/99/04/186319904.db2.gz JCXWAQAGYRTSRC-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110755447 186319905 /nfs/dbraw/zinc/31/99/05/186319905.db2.gz JCXWAQAGYRTSRC-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110755447 186319907 /nfs/dbraw/zinc/31/99/07/186319907.db2.gz JCXWAQAGYRTSRC-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP C[C@H]1CN(CC[NH2+]Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000110756409 186320690 /nfs/dbraw/zinc/32/06/90/186320690.db2.gz ZGVVNQQGXXTRHQ-NSHDSACASA-N 2 1 287.860 2.127 10 0 CEAEMP CC[N@H+]1CCN(CC[NH2+]C2CCCCCC2)C[C@@H]1C ZINC000110756696 186321452 /nfs/dbraw/zinc/32/14/52/186321452.db2.gz VOFFQXFNOHUWTQ-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc(N2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000110758377 186322011 /nfs/dbraw/zinc/32/20/11/186322011.db2.gz CWGHOSPZTHLBFX-LBPRGKRZSA-N 2 1 282.457 2.029 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc(N2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000110758377 186322012 /nfs/dbraw/zinc/32/20/12/186322012.db2.gz CWGHOSPZTHLBFX-LBPRGKRZSA-N 2 1 282.457 2.029 10 0 CEAEMP CC[NH2+][C@H](C[N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111160846 186361791 /nfs/dbraw/zinc/36/17/91/186361791.db2.gz XKHMSYUIJBSKCE-UONOGXRCSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+][C@H](C[N@@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111160846 186361793 /nfs/dbraw/zinc/36/17/93/186361793.db2.gz XKHMSYUIJBSKCE-UONOGXRCSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)CC[NH2+]C[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000111176646 186364854 /nfs/dbraw/zinc/36/48/54/186364854.db2.gz GZFDGHSDMJTNAE-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)CC[NH2+]C[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000111176646 186364855 /nfs/dbraw/zinc/36/48/55/186364855.db2.gz GZFDGHSDMJTNAE-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[N@@H+](C[C@]1(C[NH2+]C)CCCOC1)C1CCCC1 ZINC000111325296 186399132 /nfs/dbraw/zinc/39/91/32/186399132.db2.gz OUTROUPNFIBMRK-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CCCOC1 ZINC000111329913 186399816 /nfs/dbraw/zinc/39/98/16/186399816.db2.gz VHVFCAOXUMSHQK-DLBZAZTESA-N 2 1 298.471 2.140 10 0 CEAEMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc(C)c1O ZINC000211508350 539905146 /nfs/dbraw/zinc/90/51/46/539905146.db2.gz ZFURUZBRYGALEO-CQSZACIVSA-N 2 1 262.397 2.393 10 0 CEAEMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc(C)c1O ZINC000211508350 539905149 /nfs/dbraw/zinc/90/51/49/539905149.db2.gz ZFURUZBRYGALEO-CQSZACIVSA-N 2 1 262.397 2.393 10 0 CEAEMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc(C)c1O ZINC000211508350 539905154 /nfs/dbraw/zinc/90/51/54/539905154.db2.gz ZFURUZBRYGALEO-CQSZACIVSA-N 2 1 262.397 2.393 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[C@H]1O ZINC000380905623 540137013 /nfs/dbraw/zinc/13/70/13/540137013.db2.gz FZEDIOHTJHSETA-RCCFBDPRSA-N 2 1 288.435 2.354 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832312 299280347 /nfs/dbraw/zinc/28/03/47/299280347.db2.gz HVRQGHJISCIEMC-CGTJXYLNSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832312 299280348 /nfs/dbraw/zinc/28/03/48/299280348.db2.gz HVRQGHJISCIEMC-CGTJXYLNSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000578518508 366505740 /nfs/dbraw/zinc/50/57/40/366505740.db2.gz MRTBWFMFGPDRAO-IHRRRGAJSA-N 2 1 281.469 2.329 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]cc2Cl)CC1 ZINC000176922850 189014414 /nfs/dbraw/zinc/01/44/14/189014414.db2.gz CCMLFGPYKUANEO-GFCCVEGCSA-N 2 1 297.830 2.264 10 0 CEAEMP Cc1c(C[NH2+]CCC[N@H+](C)C2CCCCC2)cnn1C ZINC000093650097 364209860 /nfs/dbraw/zinc/20/98/60/364209860.db2.gz WBXNBRUKYJHYSO-UHFFFAOYSA-N 2 1 278.444 2.473 10 0 CEAEMP Cc1c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cnn1C ZINC000093650097 364209868 /nfs/dbraw/zinc/20/98/68/364209868.db2.gz WBXNBRUKYJHYSO-UHFFFAOYSA-N 2 1 278.444 2.473 10 0 CEAEMP Cc1ncc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000275685043 193105847 /nfs/dbraw/zinc/10/58/47/193105847.db2.gz WNHRDLMHHGYJCM-LLVKDONJSA-N 2 1 262.382 2.000 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631838447 367579288 /nfs/dbraw/zinc/57/92/88/367579288.db2.gz OPXXCPHKHMEIST-JQWIXIFHSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631838447 367579289 /nfs/dbraw/zinc/57/92/89/367579289.db2.gz OPXXCPHKHMEIST-JQWIXIFHSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631843191 367586290 /nfs/dbraw/zinc/58/62/90/367586290.db2.gz KDZOZLPHZKITGN-NEPJUHHUSA-N 2 1 268.788 2.245 10 0 CEAEMP CCC[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000179397772 368336958 /nfs/dbraw/zinc/33/69/58/368336958.db2.gz VJFBVFBDQAFZCE-INIZCTEOSA-N 2 1 295.471 2.194 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH2+]CC1 ZINC000635003350 369038360 /nfs/dbraw/zinc/03/83/60/369038360.db2.gz IJAKCTHPBJELOF-NVXWUHKLSA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003350 369038367 /nfs/dbraw/zinc/03/83/67/369038367.db2.gz IJAKCTHPBJELOF-NVXWUHKLSA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003350 369038377 /nfs/dbraw/zinc/03/83/77/369038377.db2.gz IJAKCTHPBJELOF-NVXWUHKLSA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH2+]CC1 ZINC000635003348 369038394 /nfs/dbraw/zinc/03/83/94/369038394.db2.gz IJAKCTHPBJELOF-DOTOQJQBSA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003348 369038400 /nfs/dbraw/zinc/03/84/00/369038400.db2.gz IJAKCTHPBJELOF-DOTOQJQBSA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000635003348 369038407 /nfs/dbraw/zinc/03/84/07/369038407.db2.gz IJAKCTHPBJELOF-DOTOQJQBSA-N 3 1 287.451 2.096 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221715875 370243380 /nfs/dbraw/zinc/24/33/80/370243380.db2.gz CKKXSOFANOKPTB-HZPDHXFCSA-N 2 1 289.423 2.067 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545739 371641701 /nfs/dbraw/zinc/64/17/01/371641701.db2.gz KHJLJPIPOCLPJY-QZTJIDSGSA-N 2 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545739 371641705 /nfs/dbraw/zinc/64/17/05/371641705.db2.gz KHJLJPIPOCLPJY-QZTJIDSGSA-N 3 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545739 371641707 /nfs/dbraw/zinc/64/17/07/371641707.db2.gz KHJLJPIPOCLPJY-QZTJIDSGSA-N 3 1 287.451 2.240 10 0 CEAEMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261992555 371792989 /nfs/dbraw/zinc/79/29/89/371792989.db2.gz SWZISMBYKYLIJE-KSZLIROESA-N 2 1 288.435 2.284 10 0 CEAEMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261992522 371793313 /nfs/dbraw/zinc/79/33/13/371793313.db2.gz SNWONGOSOPJNCS-OAHLLOKOSA-N 2 1 276.428 2.112 10 0 CEAEMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261992522 371793322 /nfs/dbraw/zinc/79/33/22/371793322.db2.gz SNWONGOSOPJNCS-OAHLLOKOSA-N 2 1 276.428 2.112 10 0 CEAEMP CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261961567 371786033 /nfs/dbraw/zinc/78/60/33/371786033.db2.gz PPWVGXYCHKIEFN-ZNMIVQPWSA-N 2 1 266.429 2.169 10 0 CEAEMP C(CC1CCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261987320 371790424 /nfs/dbraw/zinc/79/04/24/371790424.db2.gz SIGNFRJPWBWRNE-OAGGEKHMSA-N 2 1 266.429 2.313 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccnn3-c3ccccc3)C[C@H]12 ZINC000261821312 371742227 /nfs/dbraw/zinc/74/22/27/371742227.db2.gz IKVMPMFLYWFRIL-XOKHGSTOSA-N 2 1 282.391 2.041 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@H]12 ZINC000261821312 371742232 /nfs/dbraw/zinc/74/22/32/371742232.db2.gz IKVMPMFLYWFRIL-XOKHGSTOSA-N 2 1 282.391 2.041 10 0 CEAEMP CC(C)c1nc([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043252 371810525 /nfs/dbraw/zinc/81/05/25/371810525.db2.gz PJPVCZISTDEIMJ-CZUORRHYSA-N 2 1 292.427 2.372 10 0 CEAEMP CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043252 371810533 /nfs/dbraw/zinc/81/05/33/371810533.db2.gz PJPVCZISTDEIMJ-CZUORRHYSA-N 2 1 292.427 2.372 10 0 CEAEMP C[C@H](CCNC1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379643120 375157143 /nfs/dbraw/zinc/15/71/43/375157143.db2.gz AXODUMRPBQFVSP-OAHLLOKOSA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000389868485 375307628 /nfs/dbraw/zinc/30/76/28/375307628.db2.gz NHIZZSXNIYBBCZ-BGTYHANMSA-N 2 1 287.451 2.224 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000389868485 375307637 /nfs/dbraw/zinc/30/76/37/375307637.db2.gz NHIZZSXNIYBBCZ-BGTYHANMSA-N 2 1 287.451 2.224 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000389868486 375307794 /nfs/dbraw/zinc/30/77/94/375307794.db2.gz NHIZZSXNIYBBCZ-DDBAPUKQSA-N 2 1 287.451 2.224 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000389868486 375307802 /nfs/dbraw/zinc/30/78/02/375307802.db2.gz NHIZZSXNIYBBCZ-DDBAPUKQSA-N 2 1 287.451 2.224 10 0 CEAEMP C[C@H](c1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312584773 249373429 /nfs/dbraw/zinc/37/34/29/249373429.db2.gz CWESBSXHDXFJTI-XHBSWPGZSA-N 2 1 276.380 2.393 10 0 CEAEMP CC[N@@H+](CCO)CCNc1cc[nH+]c2ccc(C)cc12 ZINC000302218286 379332950 /nfs/dbraw/zinc/33/29/50/379332950.db2.gz KQJHYMIYXSSCQV-UHFFFAOYSA-N 2 1 273.380 2.269 10 0 CEAEMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC000090773183 285238415 /nfs/dbraw/zinc/23/84/15/285238415.db2.gz RPUHZBBEXQRFPI-HUUCEWRRSA-N 2 1 254.418 2.121 10 0 CEAEMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC000090773183 285238416 /nfs/dbraw/zinc/23/84/16/285238416.db2.gz RPUHZBBEXQRFPI-HUUCEWRRSA-N 2 1 254.418 2.121 10 0 CEAEMP COC[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CC[C@@H]2[NH3+])C1 ZINC000081116340 177773088 /nfs/dbraw/zinc/77/30/88/177773088.db2.gz AITDTOARCOFUFV-IHRRRGAJSA-N 2 1 254.418 2.108 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508202 177660211 /nfs/dbraw/zinc/66/02/11/177660211.db2.gz MGVIPGIFDXHKCD-TZMCWYRMSA-N 2 1 260.381 2.352 10 0 CEAEMP CCOC(=O)[C@]1([NH2+]C)CCC[C@H]1CC[NH+](CC)CC ZINC000093583487 184692817 /nfs/dbraw/zinc/69/28/17/184692817.db2.gz DWLRNHCXHMIGJD-ZFWWWQNUSA-N 2 1 270.417 2.040 10 0 CEAEMP CCC[N@@H+](CC[C@H]1CCC[C@@]1(CO)[NH2+]C)CC1CC1 ZINC000093617395 184696835 /nfs/dbraw/zinc/69/68/35/184696835.db2.gz OIYOTIDMRYDFHR-CVEARBPZSA-N 2 1 268.445 2.249 10 0 CEAEMP CC[NH2+][C@H](CN1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)cc1 ZINC000094460372 184805613 /nfs/dbraw/zinc/80/56/13/184805613.db2.gz LLGKMFLKJKQTPZ-QZTJIDSGSA-N 2 1 287.451 2.426 10 0 CEAEMP C[N@H+]1CCN(c2cc[nH+]cc2CO)[C@H](c2ccccc2)C1 ZINC000138416835 135083442 /nfs/dbraw/zinc/08/34/42/135083442.db2.gz SAUJEHBPOOXNBQ-KRWDZBQOSA-N 2 1 283.375 2.067 10 0 CEAEMP C[C@H]([NH3+])c1ccccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439665 135087848 /nfs/dbraw/zinc/08/78/48/135087848.db2.gz UBQRHBAILNJCCB-UONOGXRCSA-N 2 1 259.397 2.381 10 0 CEAEMP C[N@H+]1CCC[C@H]1CN1CCC[NH+](Cc2ccccc2)CC1 ZINC000649479084 396164291 /nfs/dbraw/zinc/16/42/91/396164291.db2.gz DSSIOALQUDZWJL-SFHVURJKSA-N 2 1 287.451 2.289 10 0 CEAEMP C[NH+]1CCC[C@H]1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000649479084 396164293 /nfs/dbraw/zinc/16/42/93/396164293.db2.gz DSSIOALQUDZWJL-SFHVURJKSA-N 2 1 287.451 2.289 10 0 CEAEMP C[NH+]1CCC[C@H]1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000649479084 396164296 /nfs/dbraw/zinc/16/42/96/396164296.db2.gz DSSIOALQUDZWJL-SFHVURJKSA-N 2 1 287.451 2.289 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@H]12 ZINC000389155998 400537190 /nfs/dbraw/zinc/53/71/90/400537190.db2.gz YAIFTVRPCIQIOW-CBBWQLFWSA-N 2 1 264.413 2.147 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152206 171359714 /nfs/dbraw/zinc/35/97/14/171359714.db2.gz TXESFCQRZQTXGH-CYBMUJFWSA-N 2 1 275.396 2.348 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022177758 171371527 /nfs/dbraw/zinc/37/15/27/171371527.db2.gz LVGXMPFMIBADEW-BETUJISGSA-N 2 1 275.396 2.062 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096062 174110209 /nfs/dbraw/zinc/11/02/09/174110209.db2.gz FNDXPXKJFUFAFQ-KFWWJZLASA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508122 174302828 /nfs/dbraw/zinc/30/28/28/174302828.db2.gz CNGGNLWSVBAXBO-ARFHVFGLSA-N 2 1 295.471 2.097 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1ccnc1 ZINC000040769251 174399511 /nfs/dbraw/zinc/39/95/11/174399511.db2.gz BKCVBIJUJDSNTJ-PMRDEQMMSA-N 2 1 290.455 2.370 10 0 CEAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1ccnc1 ZINC000040769251 174399513 /nfs/dbraw/zinc/39/95/13/174399513.db2.gz BKCVBIJUJDSNTJ-PMRDEQMMSA-N 2 1 290.455 2.370 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)C(C)C)OCCO2 ZINC000043883147 175116206 /nfs/dbraw/zinc/11/62/06/175116206.db2.gz RJWWRHPEQDFIRY-CABCVRRESA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)C(C)C)OCCO2 ZINC000043883147 175116207 /nfs/dbraw/zinc/11/62/07/175116207.db2.gz RJWWRHPEQDFIRY-CABCVRRESA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H](CC)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970791 175131836 /nfs/dbraw/zinc/13/18/36/175131836.db2.gz SBDIJELGMVZWOJ-HOCLYGCPSA-N 3 1 269.477 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073255 175302643 /nfs/dbraw/zinc/30/26/43/175302643.db2.gz ZRNNDKIDIJSTHT-OAGGEKHMSA-N 2 1 266.429 2.408 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000045171445 175321017 /nfs/dbraw/zinc/32/10/17/175321017.db2.gz RQRRCUOPBLFXED-SMDDNHRTSA-N 2 1 276.428 2.172 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272009 175342547 /nfs/dbraw/zinc/34/25/47/175342547.db2.gz TXACZSKOYQYUJT-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045272009 175342548 /nfs/dbraw/zinc/34/25/48/175342548.db2.gz TXACZSKOYQYUJT-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272015 175343480 /nfs/dbraw/zinc/34/34/80/175343480.db2.gz ZEUVRHPIVATGHI-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045272015 175343482 /nfs/dbraw/zinc/34/34/82/175343482.db2.gz ZEUVRHPIVATGHI-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP C[NH2+][C@@](C)(CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419324 175377621 /nfs/dbraw/zinc/37/76/21/175377621.db2.gz DULJPUNCMSKCHB-UXLLHSPISA-N 2 1 295.471 2.132 10 0 CEAEMP CCCC[N@@H+](CCC[C@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045421763 175380473 /nfs/dbraw/zinc/38/04/73/175380473.db2.gz XTQGMKPOSJGKBS-HNNXBMFYSA-N 2 1 270.417 2.312 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCC2)O1 ZINC000061485851 175648195 /nfs/dbraw/zinc/64/81/95/175648195.db2.gz CMRFLTRMDSVAQY-LSDHHAIUSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CC[N@@H+]1CCc2ccccc2C1 ZINC000070512965 175962002 /nfs/dbraw/zinc/96/20/02/175962002.db2.gz ACANKSKBWBKEDZ-QGZVFWFLSA-N 2 1 276.424 2.185 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CC[N@H+]1CCc2ccccc2C1 ZINC000070512965 175962003 /nfs/dbraw/zinc/96/20/03/175962003.db2.gz ACANKSKBWBKEDZ-QGZVFWFLSA-N 2 1 276.424 2.185 10 0 CEAEMP C[C@H]1C[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148941 176044492 /nfs/dbraw/zinc/04/44/92/176044492.db2.gz KKMRDXFNGYJLRE-GJZGRUSLSA-N 2 1 267.461 2.038 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170255 176050769 /nfs/dbraw/zinc/05/07/69/176050769.db2.gz NVZNMNUFZHZLFO-AWEZNQCLSA-N 2 1 274.408 2.441 10 0 CEAEMP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188808 176063276 /nfs/dbraw/zinc/06/32/76/176063276.db2.gz ARHSWVWFUOWJPD-FHLIZLRMSA-N 2 1 287.451 2.145 10 0 CEAEMP CC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071188904 176063900 /nfs/dbraw/zinc/06/39/00/176063900.db2.gz OPSBRBZMGRKDKV-WBVHZDCISA-N 2 1 275.440 2.221 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188623 176063904 /nfs/dbraw/zinc/06/39/04/176063904.db2.gz ZYQZDPYXRJJLPK-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP CCC[C@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191427 176069428 /nfs/dbraw/zinc/06/94/28/176069428.db2.gz UYJPXZKFRIMGFT-NVXWUHKLSA-N 2 1 281.488 2.428 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191844 176072068 /nfs/dbraw/zinc/07/20/68/176072068.db2.gz QJFGJROMZDXRET-LSDHHAIUSA-N 3 1 269.477 2.427 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191844 176072070 /nfs/dbraw/zinc/07/20/70/176072070.db2.gz QJFGJROMZDXRET-LSDHHAIUSA-N 3 1 269.477 2.427 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191844 176072071 /nfs/dbraw/zinc/07/20/71/176072071.db2.gz QJFGJROMZDXRET-LSDHHAIUSA-N 3 1 269.477 2.427 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191844 176072072 /nfs/dbraw/zinc/07/20/72/176072072.db2.gz QJFGJROMZDXRET-LSDHHAIUSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191844 176072073 /nfs/dbraw/zinc/07/20/73/176072073.db2.gz QJFGJROMZDXRET-LSDHHAIUSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@H]1CCCC[C@H]1[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192423 176073126 /nfs/dbraw/zinc/07/31/26/176073126.db2.gz OIUNCPRVIIYHOA-ARFHVFGLSA-N 2 1 267.461 2.038 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1cc(C)cc(C)c1 ZINC000071228985 176091069 /nfs/dbraw/zinc/09/10/69/176091069.db2.gz QJMYVNRHJMNWBJ-UHFFFAOYSA-N 2 1 263.385 2.078 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1cc(C)cc(C)c1 ZINC000071228985 176091070 /nfs/dbraw/zinc/09/10/70/176091070.db2.gz QJMYVNRHJMNWBJ-UHFFFAOYSA-N 2 1 263.385 2.078 10 0 CEAEMP CC[NH2+]C[C@H]1CCC[N@@H+](CCCCCC(=O)OCC)C1 ZINC000071297943 176112735 /nfs/dbraw/zinc/11/27/35/176112735.db2.gz KEZKLJGPFNVZPH-OAHLLOKOSA-N 2 1 284.444 2.431 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](CC(C)C)[NH2+]CC1(C)C ZINC000071351544 176135221 /nfs/dbraw/zinc/13/52/21/176135221.db2.gz UGUZRRKBZYXHBZ-OAHLLOKOSA-N 2 1 278.444 2.290 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071377485 176142964 /nfs/dbraw/zinc/14/29/64/176142964.db2.gz CLQLRJKTISVMSB-INIZCTEOSA-N 2 1 281.488 2.428 10 0 CEAEMP CCC[NH2+]C[C@H]1CCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071377492 176143156 /nfs/dbraw/zinc/14/31/56/176143156.db2.gz UIRCITWPDQLHTE-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400412325 274244420 /nfs/dbraw/zinc/24/44/20/274244420.db2.gz UKNDUZSHAZJHDC-WBVHZDCISA-N 2 1 287.451 2.239 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[C@H](C)C[C@@H]2C[NH3+])c1C ZINC000234893865 277363407 /nfs/dbraw/zinc/36/34/07/277363407.db2.gz NXBIRVCJNOKOEN-SMDDNHRTSA-N 2 1 277.412 2.266 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261972840 278807266 /nfs/dbraw/zinc/80/72/66/278807266.db2.gz QSXPWYNIPFNFOO-ZACQAIPSSA-N 2 1 274.408 2.242 10 0 CEAEMP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000185736434 281170278 /nfs/dbraw/zinc/17/02/78/281170278.db2.gz ALUYSYMZOJEAPL-HNNXBMFYSA-N 2 1 297.402 2.454 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647852 519736796 /nfs/dbraw/zinc/73/67/96/519736796.db2.gz TXRZKQPRQQIICA-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647852 519736797 /nfs/dbraw/zinc/73/67/97/519736797.db2.gz TXRZKQPRQQIICA-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419962 519744147 /nfs/dbraw/zinc/74/41/47/519744147.db2.gz QBXZZKPBKOFVPR-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000052477733 519913351 /nfs/dbraw/zinc/91/33/51/519913351.db2.gz UIFZHVBEGBUIOU-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]C[C@H](C)C[N@H+](CCN(C)C)CC(C)C ZINC000052503296 519929420 /nfs/dbraw/zinc/92/94/20/519929420.db2.gz VIBQGCSTOHONMT-HNNXBMFYSA-N 2 1 257.466 2.142 10 0 CEAEMP CCC[NH2+]C[C@H](C)C[N@@H+](CCN(C)C)CC(C)C ZINC000052503296 519929433 /nfs/dbraw/zinc/92/94/33/519929433.db2.gz VIBQGCSTOHONMT-HNNXBMFYSA-N 2 1 257.466 2.142 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccoc2C)O1 ZINC000052346602 519950389 /nfs/dbraw/zinc/95/03/89/519950389.db2.gz OVUFMGIVEWNQGY-GJZGRUSLSA-N 2 1 266.385 2.177 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419384 519952772 /nfs/dbraw/zinc/95/27/72/519952772.db2.gz NMAPPXIBEYSIDW-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+](CCN(C)C)CC(C)C)o1 ZINC000052503317 519995653 /nfs/dbraw/zinc/99/56/53/519995653.db2.gz CRHHCWZUHBGWHE-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CCN(C)C)CC(C)C)o1 ZINC000052503317 519995656 /nfs/dbraw/zinc/99/56/56/519995656.db2.gz CRHHCWZUHBGWHE-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CC[NH2+]Cc1oc(C[N@@H+](CCCOC)CCOC)cc1C ZINC000052543336 520028061 /nfs/dbraw/zinc/02/80/61/520028061.db2.gz SFEJKQKUQOTCPX-UHFFFAOYSA-N 2 1 298.427 2.182 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637675 520044553 /nfs/dbraw/zinc/04/45/53/520044553.db2.gz ZUMMPALWEWLADR-HOCLYGCPSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637675 520044558 /nfs/dbraw/zinc/04/45/58/520044558.db2.gz ZUMMPALWEWLADR-HOCLYGCPSA-N 2 1 285.476 2.375 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1cccc(F)c1 ZINC000062740791 520307400 /nfs/dbraw/zinc/30/74/00/520307400.db2.gz WILKPMCBCGOLMK-CQSZACIVSA-N 2 1 254.349 2.011 10 0 CEAEMP CC[N@@H+](CC1(C[NH2+]C(C)C)CCOCC1)[C@@H](C)COC ZINC000052182334 520936833 /nfs/dbraw/zinc/93/68/33/520936833.db2.gz YLNLDSPXUJTETK-HNNXBMFYSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCCC[C@@](C)(NC)C(=O)OC ZINC000069443256 521302346 /nfs/dbraw/zinc/30/23/46/521302346.db2.gz RFWDVNCVGFWXLT-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(C)(C)[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000069443256 521302350 /nfs/dbraw/zinc/30/23/50/521302350.db2.gz RFWDVNCVGFWXLT-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000069443256 521302359 /nfs/dbraw/zinc/30/23/59/521302359.db2.gz RFWDVNCVGFWXLT-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP C[NH2+]Cc1oc(C[N@H+]2CCCSCC2)cc1C ZINC000052371209 522162276 /nfs/dbraw/zinc/16/22/76/522162276.db2.gz YBNMCLMCAWJSGW-UHFFFAOYSA-N 2 1 254.399 2.246 10 0 CEAEMP CCc1[nH+]ccn1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052592995 522587793 /nfs/dbraw/zinc/58/77/93/522587793.db2.gz NYRGVEXGZSGTAS-UHFFFAOYSA-N 2 1 262.357 2.370 10 0 CEAEMP C(CC[NH2+]C1CC1)CC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000052540317 518383489 /nfs/dbraw/zinc/38/34/89/518383489.db2.gz PLZFCNACJBFQCQ-CABCVRRESA-N 2 1 252.402 2.162 10 0 CEAEMP C(CC[NH2+]C1CC1)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540316 518384224 /nfs/dbraw/zinc/38/42/24/518384224.db2.gz PLZFCNACJBFQCQ-LSDHHAIUSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180442 519719617 /nfs/dbraw/zinc/71/96/17/519719617.db2.gz XZVMMEILCPNUQM-CQSZACIVSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CCc2ccncc2)O1 ZINC000052483155 519725239 /nfs/dbraw/zinc/72/52/39/519725239.db2.gz BMFHVEZWPGTORS-SJORKVTESA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617397 519739775 /nfs/dbraw/zinc/73/97/75/519739775.db2.gz XYQVDSRUJOLPIN-GDBMZVCRSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419962 519744145 /nfs/dbraw/zinc/74/41/45/519744145.db2.gz QBXZZKPBKOFVPR-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481028 519744752 /nfs/dbraw/zinc/74/47/52/519744752.db2.gz VBPCZYJLOBJEOH-IRXDYDNUSA-N 2 1 291.439 2.307 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N[C@@H](C)CC ZINC000054629544 519907295 /nfs/dbraw/zinc/90/72/95/519907295.db2.gz OCZQZFXPAPCUBM-HNSVSWJLSA-N 2 1 295.471 2.286 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](CC)CC2CC2)CCOCC1 ZINC000069262677 519912823 /nfs/dbraw/zinc/91/28/23/519912823.db2.gz GSZUVOZYQKPSLB-UHFFFAOYSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180543 519913566 /nfs/dbraw/zinc/91/35/66/519913566.db2.gz MHQHFGJMSDRMLS-GASCZTMLSA-N 2 1 268.445 2.371 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)C1CCN(CC)CC1 ZINC000052544033 519919792 /nfs/dbraw/zinc/91/97/92/519919792.db2.gz KTLUUDUWRKZDEU-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052544033 519919795 /nfs/dbraw/zinc/91/97/95/519919795.db2.gz KTLUUDUWRKZDEU-AWEZNQCLSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052544033 519919797 /nfs/dbraw/zinc/91/97/97/519919797.db2.gz KTLUUDUWRKZDEU-AWEZNQCLSA-N 3 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccnc2)O1 ZINC000052479520 519924088 /nfs/dbraw/zinc/92/40/88/519924088.db2.gz BHEKASAPQSGFSW-JKSUJKDBSA-N 2 1 277.412 2.061 10 0 CEAEMP CC[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000061266148 519934438 /nfs/dbraw/zinc/93/44/38/519934438.db2.gz JRXGILWVTZMZMO-CQSZACIVSA-N 2 1 283.460 2.003 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593706 519939038 /nfs/dbraw/zinc/93/90/38/519939038.db2.gz GLQBWLQZJNPZBS-KGLIPLIRSA-N 2 1 251.374 2.047 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCCCC2)O1 ZINC000052419386 519950696 /nfs/dbraw/zinc/95/06/96/519950696.db2.gz NMAPPXIBEYSIDW-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419166 519953059 /nfs/dbraw/zinc/95/30/59/519953059.db2.gz LTSVUODGFRJQGT-IRXDYDNUSA-N 2 1 274.408 2.202 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346223 519980535 /nfs/dbraw/zinc/98/05/35/519980535.db2.gz QKCBNIMMOBVLSW-HZPDHXFCSA-N 2 1 280.387 2.415 10 0 CEAEMP CCC[NH2+][C@@H](C)[C@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000068689920 519987454 /nfs/dbraw/zinc/98/74/54/519987454.db2.gz SDHXLFSEJUBDND-UONOGXRCSA-N 2 1 291.443 2.290 10 0 CEAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000068689918 519987707 /nfs/dbraw/zinc/98/77/07/519987707.db2.gz SDHXLFSEJUBDND-KBPBESRZSA-N 2 1 291.443 2.290 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000052476514 519999704 /nfs/dbraw/zinc/99/97/04/519999704.db2.gz BODZCLDHNADGKG-GJZGRUSLSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000052476514 519999708 /nfs/dbraw/zinc/99/97/08/519999708.db2.gz BODZCLDHNADGKG-GJZGRUSLSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000052540851 520004794 /nfs/dbraw/zinc/00/47/94/520004794.db2.gz NONIXRUIRINQIJ-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@H](CC)C1 ZINC000052477393 520008430 /nfs/dbraw/zinc/00/84/30/520008430.db2.gz BEBODMVKHIYNCF-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCO[C@H](CC)C1 ZINC000052477393 520008438 /nfs/dbraw/zinc/00/84/38/520008438.db2.gz BEBODMVKHIYNCF-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](C)CCO ZINC000054560060 520096110 /nfs/dbraw/zinc/09/61/10/520096110.db2.gz GZNPGYFUATVMSO-XHSDSOJGSA-N 2 1 270.461 2.351 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632684 520143428 /nfs/dbraw/zinc/14/34/28/520143428.db2.gz BPFTUQYQVIQJTC-LXZKKBNFSA-N 2 1 295.471 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632684 520143439 /nfs/dbraw/zinc/14/34/39/520143439.db2.gz BPFTUQYQVIQJTC-LXZKKBNFSA-N 2 1 295.471 2.273 10 0 CEAEMP CCCCC[N@H+](CC[C@@H]([NH2+]CCC)C(N)=O)C(C)C ZINC000062463166 520174032 /nfs/dbraw/zinc/17/40/32/520174032.db2.gz OQBQLBSDEJMYKQ-CQSZACIVSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCCC[N@@H+](CC[C@@H]([NH2+]CCC)C(N)=O)C(C)C ZINC000062463166 520174039 /nfs/dbraw/zinc/17/40/39/520174039.db2.gz OQBQLBSDEJMYKQ-CQSZACIVSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[N@H+](CCOC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054555473 521138450 /nfs/dbraw/zinc/13/84/50/521138450.db2.gz FSWVLPLCHAGHAQ-QLFBSQMISA-N 2 1 256.434 2.367 10 0 CEAEMP CC[N@@H+](CCOC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054555473 521138455 /nfs/dbraw/zinc/13/84/55/521138455.db2.gz FSWVLPLCHAGHAQ-QLFBSQMISA-N 2 1 256.434 2.367 10 0 CEAEMP CC[N@H+](Cc1cc(C)ccc1OC)C[C@@H](C)C[NH3+] ZINC000050702800 521288496 /nfs/dbraw/zinc/28/84/96/521288496.db2.gz XDIFLNBKXHELSA-ZDUSSCGKSA-N 2 1 250.386 2.420 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)CC1CC1)[NH2+]C ZINC000069239481 521320484 /nfs/dbraw/zinc/32/04/84/521320484.db2.gz COQKMENARGWGON-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)CC1CC1)[NH2+]C ZINC000069239481 521320491 /nfs/dbraw/zinc/32/04/91/521320491.db2.gz COQKMENARGWGON-HNNXBMFYSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[N@@H+]([C@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017412 521477163 /nfs/dbraw/zinc/47/71/63/521477163.db2.gz CXVLMJSRWURPCO-HIFRSBDPSA-N 2 1 250.386 2.433 10 0 CEAEMP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CCN(C)C)CC1 ZINC000049553836 521583039 /nfs/dbraw/zinc/58/30/39/521583039.db2.gz YZZAHSGWWSZPAN-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@@H+](CCN(C)C)Cc1ccc(C[NH2+]C)cc1 ZINC000052544250 521658155 /nfs/dbraw/zinc/65/81/55/521658155.db2.gz PWOFWSDDSILLPP-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCCN(CC[NH+](C)C)Cc1ccc(C[NH2+]C)cc1 ZINC000052544250 521658157 /nfs/dbraw/zinc/65/81/57/521658157.db2.gz PWOFWSDDSILLPP-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCN1CC[NH+](C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559455 521685742 /nfs/dbraw/zinc/68/57/42/521685742.db2.gz ZDLHGGDFHWONHB-JYJNAYRXSA-N 2 1 267.461 2.024 10 0 CEAEMP CC[NH+]1CCN(c2ncc(C[NH2+]CC(C)C)s2)CC1 ZINC000054899357 521701579 /nfs/dbraw/zinc/70/15/79/521701579.db2.gz AUABTKOIMCARHZ-UHFFFAOYSA-N 2 1 282.457 2.031 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2F)O1 ZINC000052541462 522095377 /nfs/dbraw/zinc/09/53/77/522095377.db2.gz LQSSPBVMBLLQOG-ZIAGYGMSSA-N 2 1 266.360 2.025 10 0 CEAEMP CC[C@@H](C)[NH+]1CCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000055083318 522108781 /nfs/dbraw/zinc/10/87/81/522108781.db2.gz LPMLMBAEUIZTLK-CYBMUJFWSA-N 2 1 266.433 2.260 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000052540323 522117142 /nfs/dbraw/zinc/11/71/42/522117142.db2.gz SONCHRBHLIADSL-HOTGVXAUSA-N 2 1 260.381 2.159 10 0 CEAEMP C[NH2+]Cc1ccc(OCCn2c[nH+]c(C)c2C)cc1 ZINC000052593555 522123358 /nfs/dbraw/zinc/12/33/58/522123358.db2.gz VGWRBXPESMCMPT-UHFFFAOYSA-N 2 1 259.353 2.298 10 0 CEAEMP CCc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH2+]C(C)C ZINC000054968960 522385246 /nfs/dbraw/zinc/38/52/46/522385246.db2.gz AKYZGUOQSZAYDJ-UHFFFAOYSA-N 2 1 296.484 2.345 10 0 CEAEMP C[NH2+][C@H](C)c1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000054720823 522454383 /nfs/dbraw/zinc/45/43/83/522454383.db2.gz ZFRQKCPMBXXPET-GFCCVEGCSA-N 2 1 274.368 2.232 10 0 CEAEMP C[N@@H+](CCCN1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754028 /nfs/dbraw/zinc/75/40/28/522754028.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 2 1 287.451 2.463 10 0 CEAEMP CN(CCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754037 /nfs/dbraw/zinc/75/40/37/522754037.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 2 1 287.451 2.463 10 0 CEAEMP CN(CCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754042 /nfs/dbraw/zinc/75/40/42/522754042.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 2 1 287.451 2.463 10 0 CEAEMP COCCC[N@@H+](C)Cc1cccc(C[NH2+]C2CC2)c1 ZINC000062036020 523227848 /nfs/dbraw/zinc/22/78/48/523227848.db2.gz VBKUDWFSPQUDKJ-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C)CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068697257 523321927 /nfs/dbraw/zinc/32/19/27/523321927.db2.gz QAKNVMWUAGFIHS-JSGCOSHPSA-N 2 1 277.412 2.279 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C[NH2+]C ZINC000052571226 523350283 /nfs/dbraw/zinc/35/02/83/523350283.db2.gz USGDTZAJWIPCRS-CJNGLKHVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571208 523350880 /nfs/dbraw/zinc/35/08/80/523350880.db2.gz IQQGAXOVLCMUJI-RISCZKNCSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571208 523350889 /nfs/dbraw/zinc/35/08/89/523350889.db2.gz IQQGAXOVLCMUJI-RISCZKNCSA-N 2 1 266.385 2.307 10 0 CEAEMP CCn1cc[nH+]c1N(CCC(N)=[NH2+])c1ccccc1 ZINC000050608139 523546371 /nfs/dbraw/zinc/54/63/71/523546371.db2.gz MGBHAYJBJYQGTI-UHFFFAOYSA-N 2 1 257.341 2.367 10 0 CEAEMP COCC[N@@H+](C)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052572816 523624176 /nfs/dbraw/zinc/62/41/76/523624176.db2.gz LKDKQTXABXXZKQ-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP COCC[NH+](CCOC)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052571449 523720166 /nfs/dbraw/zinc/72/01/66/523720166.db2.gz LKKPAJGQZONUHB-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP COCC[N@@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052542524 523733621 /nfs/dbraw/zinc/73/36/21/523733621.db2.gz YAQPWOUETJKEAO-LSDHHAIUSA-N 2 1 284.444 2.033 10 0 CEAEMP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125553 524144323 /nfs/dbraw/zinc/14/43/23/524144323.db2.gz JOKPHYFNVRZQMH-CAOSSQGBSA-N 2 1 295.471 2.131 10 0 CEAEMP c1cc(C[NH+]2CCSCC2)c(C[NH2+]C2CC2)o1 ZINC000052425567 526423975 /nfs/dbraw/zinc/42/39/75/526423975.db2.gz CBQXYGCJSDZHQR-UHFFFAOYSA-N 2 1 252.383 2.080 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCC[N@H+](C)C1 ZINC000052854146 527121856 /nfs/dbraw/zinc/12/18/56/527121856.db2.gz RZSYKMDHRARYBK-GFCCVEGCSA-N 2 1 258.369 2.269 10 0 CEAEMP [NH3+]C1CCC(CCC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000055140958 527139321 /nfs/dbraw/zinc/13/93/21/527139321.db2.gz DAMAYDBCBDDECI-CKUJCDMFSA-N 2 1 293.455 2.027 10 0 CEAEMP [NH3+]CC1(C[N@@H+](Cc2ccsc2)C2CC2)CCOCC1 ZINC000052183047 527163531 /nfs/dbraw/zinc/16/35/31/527163531.db2.gz YCTYCSUQTVHLNX-UHFFFAOYSA-N 2 1 280.437 2.468 10 0 CEAEMP [NH3+]Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052758470 527254642 /nfs/dbraw/zinc/25/46/42/527254642.db2.gz KRNWEWRHQFMMJD-AWEZNQCLSA-N 2 1 266.360 2.021 10 0 CEAEMP [NH3+]Cc1ccoc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417312 527261810 /nfs/dbraw/zinc/26/18/10/527261810.db2.gz PMPYEUWXNGYHKC-UHFFFAOYSA-N 2 1 271.364 2.061 10 0 CEAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000161646811 527398356 /nfs/dbraw/zinc/39/83/56/527398356.db2.gz LSTGTYOLTSRKTN-LBPRGKRZSA-N 2 1 253.415 2.409 10 0 CEAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@@H](C)C1 ZINC000161646811 527398361 /nfs/dbraw/zinc/39/83/61/527398361.db2.gz LSTGTYOLTSRKTN-LBPRGKRZSA-N 2 1 253.415 2.409 10 0 CEAEMP Cc1[nH+]cn(C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593732 527463122 /nfs/dbraw/zinc/46/31/22/527463122.db2.gz JANYMAROEHFQSI-HUUCEWRRSA-N 2 1 265.401 2.293 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757147301 574510481 /nfs/dbraw/zinc/51/04/81/574510481.db2.gz LLXVRVAQJYSCRC-GFCCVEGCSA-N 2 1 252.402 2.269 10 0 CEAEMP Cc1nn(C)c2sc([C@@H]3CC[C@H]([NH3+])[C@H](C)[NH2+]3)cc12 ZINC000757216558 574513345 /nfs/dbraw/zinc/51/33/45/574513345.db2.gz QIASVOUDHOVFTF-LSJOCFKGSA-N 2 1 264.398 2.084 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@H]12 ZINC000312652280 628360712 /nfs/dbraw/zinc/36/07/12/628360712.db2.gz FXGZAMIRLUZIPB-RRQGHBQHSA-N 2 1 267.376 2.404 10 0 CEAEMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399121459 628776743 /nfs/dbraw/zinc/77/67/43/628776743.db2.gz PEDQHHIWSCNEJP-AWEZNQCLSA-N 2 1 262.397 2.102 10 0 CEAEMP CN(c1[nH+]cccc1NCC1CC1)C1CC[NH2+]CC1 ZINC000034437083 361790802 /nfs/dbraw/zinc/79/08/02/361790802.db2.gz RCJGCMZLGQTQRP-UHFFFAOYSA-N 2 1 260.385 2.092 10 0 CEAEMP CCc1noc(C)c1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328626023 344756580 /nfs/dbraw/zinc/75/65/80/344756580.db2.gz DSGPDUYSADTZNX-ZDUSSCGKSA-N 2 1 288.395 2.436 10 0 CEAEMP CCc1noc(C)c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328626023 344756581 /nfs/dbraw/zinc/75/65/81/344756581.db2.gz DSGPDUYSADTZNX-ZDUSSCGKSA-N 2 1 288.395 2.436 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000399069055 344856943 /nfs/dbraw/zinc/85/69/43/344856943.db2.gz CYPZEQNZPXAAFX-KRWDZBQOSA-N 2 1 274.408 2.110 10 0 CEAEMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000399191816 344857056 /nfs/dbraw/zinc/85/70/56/344857056.db2.gz QEYLJEIHHZCBMA-ZFWWWQNUSA-N 2 1 254.418 2.002 10 0 CEAEMP C[C@H]1CCCCC[N@@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085302726 179010784 /nfs/dbraw/zinc/01/07/84/179010784.db2.gz UBTTYPHCRQSMQS-HOCLYGCPSA-N 2 1 262.397 2.097 10 0 CEAEMP C[C@H]1CCCCC[N@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085302726 179010787 /nfs/dbraw/zinc/01/07/87/179010787.db2.gz UBTTYPHCRQSMQS-HOCLYGCPSA-N 2 1 262.397 2.097 10 0 CEAEMP CCC1(CC)CN(CCn2cc[nH+]c2C)[C@@H](C)C[NH2+]1 ZINC000085516792 179087613 /nfs/dbraw/zinc/08/76/13/179087613.db2.gz UKDYELHQVDKGNR-ZDUSSCGKSA-N 2 1 264.417 2.044 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000085526799 179089493 /nfs/dbraw/zinc/08/94/93/179089493.db2.gz KRXLDZSMZJXMAT-JKSUJKDBSA-N 2 1 290.455 2.290 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572498 179097020 /nfs/dbraw/zinc/09/70/20/179097020.db2.gz ODWMWZDUAYLTKE-ZDUSSCGKSA-N 2 1 288.439 2.137 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624335 179107176 /nfs/dbraw/zinc/10/71/76/179107176.db2.gz HVIDODIXTBRKFF-MELADBBJSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)c1nc2c(n1[C@@H]1CC[N@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573029 179098295 /nfs/dbraw/zinc/09/82/95/179098295.db2.gz VXIUCKASGVNDOV-CYBMUJFWSA-N 2 1 274.412 2.061 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)[C@@H](C)CC[NH2+]1 ZINC000085618231 179104752 /nfs/dbraw/zinc/10/47/52/179104752.db2.gz PWPQWOCMGKYIGU-KKUMJFAQSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCN[C@](C)(c2ccccc2)C1 ZINC000086146684 179238360 /nfs/dbraw/zinc/23/83/60/179238360.db2.gz GFGKBXXZLFWXIP-KRWDZBQOSA-N 2 1 275.440 2.149 10 0 CEAEMP C[NH+](C)CCCCN1CC[NH2+][C@](C)(c2ccccc2)C1 ZINC000086146684 179238363 /nfs/dbraw/zinc/23/83/63/179238363.db2.gz GFGKBXXZLFWXIP-KRWDZBQOSA-N 2 1 275.440 2.149 10 0 CEAEMP CC(C)[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C)[C@@H](C(C)C)C[NH2+]1 ZINC000086173760 179244512 /nfs/dbraw/zinc/24/45/12/179244512.db2.gz CPGBFYFSCGXKOI-YESZJQIVSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2CCNC[C@@H]2c2ccccc2)CC1 ZINC000086177549 179246567 /nfs/dbraw/zinc/24/65/67/179246567.db2.gz HGXNQDMPMYQZTA-GOSISDBHSA-N 2 1 287.451 2.365 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCNC[C@@H]2c2ccccc2)CC1 ZINC000086177549 179246568 /nfs/dbraw/zinc/24/65/68/179246568.db2.gz HGXNQDMPMYQZTA-GOSISDBHSA-N 2 1 287.451 2.365 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223970 179253744 /nfs/dbraw/zinc/25/37/44/179253744.db2.gz KFKRHWOOPQUDPX-HZPDHXFCSA-N 2 1 279.472 2.467 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086259250 179258009 /nfs/dbraw/zinc/25/80/09/179258009.db2.gz RPNTYUOCPDMVES-ARFHVFGLSA-N 2 1 267.461 2.037 10 0 CEAEMP C[N@H+]1CCC[C@@H](N2CCC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086288936 179264218 /nfs/dbraw/zinc/26/42/18/179264218.db2.gz NVSXFLAPBLCVJZ-QZTJIDSGSA-N 2 1 287.451 2.291 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN([C@@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086289411 179264428 /nfs/dbraw/zinc/26/44/28/179264428.db2.gz JZKGDSOYSJTQFV-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288764 179265025 /nfs/dbraw/zinc/26/50/25/179265025.db2.gz OZQFRHJIOZDSNF-MRXNPFEDSA-N 2 1 259.397 2.088 10 0 CEAEMP C[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259088 179256436 /nfs/dbraw/zinc/25/64/36/179256436.db2.gz HLVSYFYISIAIIJ-ZFWWWQNUSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259088 179256438 /nfs/dbraw/zinc/25/64/38/179256438.db2.gz HLVSYFYISIAIIJ-ZFWWWQNUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291399 179265702 /nfs/dbraw/zinc/26/57/02/179265702.db2.gz MRKQTFLBUNMGMW-KBPBESRZSA-N 2 1 254.418 2.266 10 0 CEAEMP C[N@H+]1CCC[C@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086291627 179266365 /nfs/dbraw/zinc/26/63/65/179266365.db2.gz DRHJMQWTVMUGDV-WMZOPIPTSA-N 2 1 287.451 2.365 10 0 CEAEMP CO[C@H]1CCC[C@H]1[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086293550 179268366 /nfs/dbraw/zinc/26/83/66/179268366.db2.gz SINMLWBNTGBYJB-RDBSUJKOSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+][C@@H]1CCCc2sc(N(C)C[C@@H]3CC[N@@H+](C)C3)nc21 ZINC000086444118 179293913 /nfs/dbraw/zinc/29/39/13/179293913.db2.gz WKTOVOLSYZGNKH-VXGBXAGGSA-N 2 1 294.468 2.128 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CCCc3ccccc3C2)CC1 ZINC000086819591 179347963 /nfs/dbraw/zinc/34/79/63/179347963.db2.gz LVGVTTQPRSVPKP-SFHVURJKSA-N 2 1 287.451 2.248 10 0 CEAEMP C[NH+](C)C[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817303 179344605 /nfs/dbraw/zinc/34/46/05/179344605.db2.gz FYKOKTUEBXEPPJ-IRXDYDNUSA-N 2 1 275.440 2.363 10 0 CEAEMP C[NH+](C)C[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817304 179345215 /nfs/dbraw/zinc/34/52/15/179345215.db2.gz FYKOKTUEBXEPPJ-SJORKVTESA-N 2 1 275.440 2.363 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2ccc(F)cc2)CC1 ZINC000086848296 179356951 /nfs/dbraw/zinc/35/69/51/179356951.db2.gz LDAJSXCALOQPMN-MRXNPFEDSA-N 2 1 279.403 2.465 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848646 179357344 /nfs/dbraw/zinc/35/73/44/179357344.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848646 179357347 /nfs/dbraw/zinc/35/73/47/179357347.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848646 179357348 /nfs/dbraw/zinc/35/73/48/179357348.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848646 179357350 /nfs/dbraw/zinc/35/73/50/179357350.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848646 179357353 /nfs/dbraw/zinc/35/73/53/179357353.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843110 179352432 /nfs/dbraw/zinc/35/24/32/179352432.db2.gz PKUJEYMVBLZYFC-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843110 179352433 /nfs/dbraw/zinc/35/24/33/179352433.db2.gz PKUJEYMVBLZYFC-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843110 179352435 /nfs/dbraw/zinc/35/24/35/179352435.db2.gz PKUJEYMVBLZYFC-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cnc(C)s2)CC1 ZINC000086842560 179352563 /nfs/dbraw/zinc/35/25/63/179352563.db2.gz DBLAVTXMLJJJAV-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cnc(C)s2)CC1 ZINC000086842560 179352564 /nfs/dbraw/zinc/35/25/64/179352564.db2.gz DBLAVTXMLJJJAV-GFCCVEGCSA-N 2 1 253.415 2.416 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840949 179353363 /nfs/dbraw/zinc/35/33/63/179353363.db2.gz DFJOQBFREANEBY-MRXNPFEDSA-N 2 1 261.413 2.477 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844091 179354418 /nfs/dbraw/zinc/35/44/18/179354418.db2.gz VPEHOOVFWMEGMS-SHARSMKWSA-N 3 1 253.434 2.109 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000086843858 179354673 /nfs/dbraw/zinc/35/46/73/179354673.db2.gz CCZQAGNTJZCTMQ-ZNMIVQPWSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867904 179360589 /nfs/dbraw/zinc/36/05/89/179360589.db2.gz FEBJQVFVHSXMDC-QGZVFWFLSA-N 2 1 276.424 2.403 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867904 179360592 /nfs/dbraw/zinc/36/05/92/179360592.db2.gz FEBJQVFVHSXMDC-QGZVFWFLSA-N 2 1 276.424 2.403 10 0 CEAEMP C[N@H+](Cc1cccs1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874928 179364601 /nfs/dbraw/zinc/36/46/01/179364601.db2.gz YDEHACFLMLLHHH-CYBMUJFWSA-N 2 1 254.399 2.078 10 0 CEAEMP C[N@@H+](Cc1cccs1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874928 179364602 /nfs/dbraw/zinc/36/46/02/179364602.db2.gz YDEHACFLMLLHHH-CYBMUJFWSA-N 2 1 254.399 2.078 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000086850955 179358155 /nfs/dbraw/zinc/35/81/55/179358155.db2.gz OCBITAXPYDTBAK-MRXNPFEDSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848959 179358380 /nfs/dbraw/zinc/35/83/80/179358380.db2.gz LGKBTLYMWVPZSW-QGZVFWFLSA-N 2 1 279.472 2.454 10 0 CEAEMP CC[C@H]1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917016 179367788 /nfs/dbraw/zinc/36/77/88/179367788.db2.gz GIPZLFBYJCEEBD-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[C@@](C)(O)C[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000087011839 179379197 /nfs/dbraw/zinc/37/91/97/179379197.db2.gz QNCXAJFPANARNX-OAHLLOKOSA-N 2 1 254.418 2.168 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000090566079 180006006 /nfs/dbraw/zinc/00/60/06/180006006.db2.gz VAHJOHBGKIIGNW-SJORKVTESA-N 2 1 276.424 2.441 10 0 CEAEMP O=C(C[N@H+]1CCC[C@H]1C1CC[NH2+]CC1)Nc1ccccc1 ZINC000090694624 180026415 /nfs/dbraw/zinc/02/64/15/180026415.db2.gz HYNVHQWSKYPJJC-INIZCTEOSA-N 2 1 287.407 2.089 10 0 CEAEMP CC[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CC[NH2+]CC1 ZINC000090894265 180056382 /nfs/dbraw/zinc/05/63/82/180056382.db2.gz ACQHMYQYXLZFFZ-HNNXBMFYSA-N 2 1 278.371 2.203 10 0 CEAEMP Cc1[nH+]ccn1CCn1cccc1C[NH2+]CC(C)C ZINC000091001838 180083374 /nfs/dbraw/zinc/08/33/74/180083374.db2.gz FTRUOFGJHXOGIX-UHFFFAOYSA-N 2 1 260.385 2.439 10 0 CEAEMP CCC[C@H](C[NH3+])[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669376914 539758146 /nfs/dbraw/zinc/75/81/46/539758146.db2.gz BACVTAJZFUQJBN-SJORKVTESA-N 2 1 276.424 2.389 10 0 CEAEMP CC(C)[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000091313563 180133017 /nfs/dbraw/zinc/13/30/17/180133017.db2.gz ALKAZHCCAUWRBS-INIZCTEOSA-N 2 1 262.397 2.276 10 0 CEAEMP CCC1(C)CC[NH+]([C@H](CN)CC(=O)NC(C)(C)C)CC1 ZINC000091321596 180134386 /nfs/dbraw/zinc/13/43/86/180134386.db2.gz QVSFKOIFYQPMLL-ZDUSSCGKSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[N@@H+](Cc1cncn1C(C)C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091273115 180118246 /nfs/dbraw/zinc/11/82/46/180118246.db2.gz CCVKKNDTXGIJLU-HIFRSBDPSA-N 2 1 264.417 2.413 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)CN1CC[N@@H+](C)[C@@H](CC)C1 ZINC000091405116 180146833 /nfs/dbraw/zinc/14/68/33/180146833.db2.gz APCPDXUPTHPFAZ-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)CC1CCOCC1 ZINC000091405184 180147144 /nfs/dbraw/zinc/14/71/44/180147144.db2.gz CYORYHDMXKIKMS-CYBMUJFWSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH+](CC)C(CC)(CC)[C@@H](O)Cc1cc[nH+]c(N)c1 ZINC000091615540 180207797 /nfs/dbraw/zinc/20/77/97/180207797.db2.gz FNEZTAMUGVKSHA-AWEZNQCLSA-N 2 1 279.428 2.468 10 0 CEAEMP C[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)[NH+]1CCCC1 ZINC000091534866 180182293 /nfs/dbraw/zinc/18/22/93/180182293.db2.gz WBGRAUWMBPFMPE-OAHLLOKOSA-N 2 1 278.444 2.469 10 0 CEAEMP CCC(CC)([C@@H](O)c1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634667 180211379 /nfs/dbraw/zinc/21/13/79/180211379.db2.gz UHRSTCKVTZUGFG-AWEZNQCLSA-N 2 1 263.385 2.352 10 0 CEAEMP CCCOc1ccc([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720721 180237043 /nfs/dbraw/zinc/23/70/43/180237043.db2.gz BLJCRWMYGHFWMM-PVAVHDDUSA-N 2 1 290.407 2.338 10 0 CEAEMP CCCOc1ccc([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720721 180237045 /nfs/dbraw/zinc/23/70/45/180237045.db2.gz BLJCRWMYGHFWMM-PVAVHDDUSA-N 2 1 290.407 2.338 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091721370 180237757 /nfs/dbraw/zinc/23/77/57/180237757.db2.gz BHRYCJYYNDIONM-UHOFOFEASA-N 2 1 294.464 2.304 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091721370 180237759 /nfs/dbraw/zinc/23/77/59/180237759.db2.gz BHRYCJYYNDIONM-UHOFOFEASA-N 2 1 294.464 2.304 10 0 CEAEMP CC[N@@H+](Cc1ccc(O)c(OC)c1)C1CCC([NH3+])CC1 ZINC000091849826 180272433 /nfs/dbraw/zinc/27/24/33/180272433.db2.gz OLSGDWXKOWPWGN-UHFFFAOYSA-N 2 1 278.396 2.493 10 0 CEAEMP CC[N@@H+](CCO[C@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091850929 180272567 /nfs/dbraw/zinc/27/25/67/180272567.db2.gz NMGMPOUAJYYIJN-NRXISQOPSA-N 2 1 270.417 2.121 10 0 CEAEMP C[N@@H+](CC(=O)Nc1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000091846656 180270197 /nfs/dbraw/zinc/27/01/97/180270197.db2.gz TZHPLHDOIWOEID-UHFFFAOYSA-N 2 1 297.349 2.105 10 0 CEAEMP COC(=O)[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000091847819 180270847 /nfs/dbraw/zinc/27/08/47/180270847.db2.gz ODFXXZZRKAQCFZ-GPANFISMSA-N 2 1 290.407 2.145 10 0 CEAEMP CC[N@@H+](C[C@@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850703 180272207 /nfs/dbraw/zinc/27/22/07/180272207.db2.gz RDUAWTATLUAIAT-UYSNPLJNSA-N 2 1 262.397 2.312 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091870608 180276921 /nfs/dbraw/zinc/27/69/21/180276921.db2.gz GUKSRVYUCIZHTL-HLIUYOAVSA-N 2 1 295.471 2.286 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2O)CC1 ZINC000091870458 180277388 /nfs/dbraw/zinc/27/73/88/180277388.db2.gz KVYCJSFTLSSSGU-CVSAEHQPSA-N 2 1 254.418 2.142 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccn(C(C)C)n2)CC1 ZINC000091870689 180277532 /nfs/dbraw/zinc/27/75/32/180277532.db2.gz AWVIREZOGJFPTQ-UHFFFAOYSA-N 2 1 264.417 2.426 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088578 180321097 /nfs/dbraw/zinc/32/10/97/180321097.db2.gz YWXXWXHFNRXDQL-GASCZTMLSA-N 2 1 268.445 2.371 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267755 180355416 /nfs/dbraw/zinc/35/54/16/180355416.db2.gz AMSMMZGRYKQSSI-JSGCOSHPSA-N 2 1 262.422 2.245 10 0 CEAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092268039 180355601 /nfs/dbraw/zinc/35/56/01/180355601.db2.gz UJQNDYNECWNJGX-RZFFKMDDSA-N 2 1 274.433 2.243 10 0 CEAEMP CNc1cc[nH+]c(C[N@H+](CCOC)[C@H](C)C2CC2)c1 ZINC000092418695 180380729 /nfs/dbraw/zinc/38/07/29/180380729.db2.gz DVDREXYCGQBKIQ-GFCCVEGCSA-N 2 1 263.385 2.370 10 0 CEAEMP CNc1cc[nH+]c(C[N@@H+](CCOC)[C@H](C)C2CC2)c1 ZINC000092418695 180380730 /nfs/dbraw/zinc/38/07/30/180380730.db2.gz DVDREXYCGQBKIQ-GFCCVEGCSA-N 2 1 263.385 2.370 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000109604116 186267654 /nfs/dbraw/zinc/26/76/54/186267654.db2.gz JZUJQUPZXCVQCY-CQSZACIVSA-N 2 1 294.370 2.202 10 0 CEAEMP CCC[C@H](C[NH3+])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109462832 186253907 /nfs/dbraw/zinc/25/39/07/186253907.db2.gz XBZCULGRWKAFAE-MRXNPFEDSA-N 2 1 279.403 2.071 10 0 CEAEMP C[N@@H+](CC1CCCC1)C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000110841813 186328638 /nfs/dbraw/zinc/32/86/38/186328638.db2.gz YFQFVGVCDILDFX-MRXNPFEDSA-N 2 1 266.429 2.267 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2sccc2C)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703968 186313848 /nfs/dbraw/zinc/31/38/48/186313848.db2.gz JBVYDPQJRZKORY-MGPQQGTHSA-N 2 1 281.469 2.471 10 0 CEAEMP CN1CC[N@@H+](Cc2oc3ccccc3c2C[NH3+])CC1(C)C ZINC000110754637 186320885 /nfs/dbraw/zinc/32/08/85/186320885.db2.gz QHDCRCTVUMLVNM-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP C[N@@H+]1CCN(Cc2oc3ccccc3c2C[NH3+])CC1(C)C ZINC000110754637 186320887 /nfs/dbraw/zinc/32/08/87/186320887.db2.gz QHDCRCTVUMLVNM-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP C[N@H+]1CCN(Cc2oc3ccccc3c2C[NH3+])CC1(C)C ZINC000110754637 186320888 /nfs/dbraw/zinc/32/08/88/186320888.db2.gz QHDCRCTVUMLVNM-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP CCN1CC[N@@H+](CCCCC[NH2+]CC(C)C)C[C@@H]1C ZINC000110752522 186321176 /nfs/dbraw/zinc/32/11/76/186321176.db2.gz GBJOGHTVMSKCKN-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[N@@H+]1CCN(CCCCC[NH2+]CC(C)C)C[C@@H]1C ZINC000110752522 186321177 /nfs/dbraw/zinc/32/11/77/186321177.db2.gz GBJOGHTVMSKCKN-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[N@H+]1CCN(CCCCC[NH2+]CC(C)C)C[C@@H]1C ZINC000110752522 186321179 /nfs/dbraw/zinc/32/11/79/186321179.db2.gz GBJOGHTVMSKCKN-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[C@@H]1CN([C@@H](C)C[NH2+]C(C)(C)CC)CC[N@H+]1C ZINC000110757264 186321445 /nfs/dbraw/zinc/32/14/45/186321445.db2.gz HOIOQDBIHXLTKX-UONOGXRCSA-N 2 1 255.450 2.179 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCCC[NH2+]C(C)(C)C)CCN1C ZINC000110751251 186321505 /nfs/dbraw/zinc/32/15/05/186321505.db2.gz SLROMWUPFONACD-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@H+]1CCN(Cc2cccc(C[NH2+]C3CC3)c2)CC1(C)C ZINC000110754990 186322113 /nfs/dbraw/zinc/32/21/13/186322113.db2.gz NRIHVBGXONENPG-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CN1CC[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)CC1(C)C ZINC000110754990 186322115 /nfs/dbraw/zinc/32/21/15/186322115.db2.gz NRIHVBGXONENPG-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CN1CC[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)CC1(C)C ZINC000110754990 186322116 /nfs/dbraw/zinc/32/21/16/186322116.db2.gz NRIHVBGXONENPG-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC(C)C[NH2+]C[C@]1(C[N@@H+](C)C[C@@H]2CCCO2)CCCOC1 ZINC000111327146 186398078 /nfs/dbraw/zinc/39/80/78/186398078.db2.gz GEUDSXYFFLOFEZ-IRXDYDNUSA-N 2 1 298.471 2.140 10 0 CEAEMP C[N@@H+](C[C@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111324722 186398816 /nfs/dbraw/zinc/39/88/16/186398816.db2.gz IQWGDRPTLYVIQM-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327406 186399297 /nfs/dbraw/zinc/39/92/97/186399297.db2.gz GJPBOACUUIPACI-KRWDZBQOSA-N 2 1 298.471 2.020 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](CC)CCOCC)CCCOC1 ZINC000111329795 186399862 /nfs/dbraw/zinc/39/98/62/186399862.db2.gz URVHJQCGTFGTRT-INIZCTEOSA-N 2 1 286.460 2.141 10 0 CEAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(c1cc[nH+]cc1Cl)C2 ZINC000630537819 351777366 /nfs/dbraw/zinc/77/73/66/351777366.db2.gz FJTJTJQHENBWFD-BETUJISGSA-N 2 1 251.761 2.171 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094440785 539879494 /nfs/dbraw/zinc/87/94/94/539879494.db2.gz VUXXLYGTRUPVBC-DOTOQJQBSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000094440785 539879496 /nfs/dbraw/zinc/87/94/96/539879496.db2.gz VUXXLYGTRUPVBC-DOTOQJQBSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000094440785 539879501 /nfs/dbraw/zinc/87/95/01/539879501.db2.gz VUXXLYGTRUPVBC-DOTOQJQBSA-N 2 1 279.472 2.325 10 0 CEAEMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000405316044 540134233 /nfs/dbraw/zinc/13/42/33/540134233.db2.gz WUFYWTKKLIJVBG-FRRDWIJNSA-N 2 1 276.371 2.108 10 0 CEAEMP Cc1cc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])ccc1Br ZINC000685965600 540664545 /nfs/dbraw/zinc/66/45/45/540664545.db2.gz KZPMLTXXKQDYTO-CMPLNLGQSA-N 2 1 269.186 2.162 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000178297463 189103650 /nfs/dbraw/zinc/10/36/50/189103650.db2.gz LGVAARNILLXFOJ-CQSZACIVSA-N 2 1 293.411 2.388 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)OC(C)(C)C ZINC000178297463 189103651 /nfs/dbraw/zinc/10/36/51/189103651.db2.gz LGVAARNILLXFOJ-CQSZACIVSA-N 2 1 293.411 2.388 10 0 CEAEMP CCCC[NH+]1CCC([NH2+]Cc2cnn(C)c2C)CC1 ZINC000093649952 364210802 /nfs/dbraw/zinc/21/08/02/364210802.db2.gz DPJIGGPUVDUEBG-UHFFFAOYSA-N 2 1 264.417 2.083 10 0 CEAEMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000095072288 364332295 /nfs/dbraw/zinc/33/22/95/364332295.db2.gz NIEWQNVAXKUNHG-QWRGUYRKSA-N 2 1 284.201 2.204 10 0 CEAEMP Nc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000156213241 366829030 /nfs/dbraw/zinc/82/90/30/366829030.db2.gz RUOYIAIJNPRFGT-AWEZNQCLSA-N 2 1 283.379 2.135 10 0 CEAEMP Nc1nc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000156213241 366829034 /nfs/dbraw/zinc/82/90/34/366829034.db2.gz RUOYIAIJNPRFGT-AWEZNQCLSA-N 2 1 283.379 2.135 10 0 CEAEMP OCC[C@H]([NH2+]C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000100282911 364543756 /nfs/dbraw/zinc/54/37/56/364543756.db2.gz OZUTYNJENZEIRC-WMZOPIPTSA-N 2 1 288.435 2.402 10 0 CEAEMP CCC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161600404 367100217 /nfs/dbraw/zinc/10/02/17/367100217.db2.gz JHCMKJJQQXVSPY-OWCLPIDISA-N 2 1 297.487 2.201 10 0 CEAEMP CCC[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180094208 368367645 /nfs/dbraw/zinc/36/76/45/368367645.db2.gz IDWATPKTEDZISZ-LSDHHAIUSA-N 2 1 270.461 2.447 10 0 CEAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC(F)(F)CC1 ZINC000682731745 541707533 /nfs/dbraw/zinc/70/75/33/541707533.db2.gz ALSLTJRJDAPBMA-LBPRGKRZSA-N 2 1 290.398 2.247 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999237 369033213 /nfs/dbraw/zinc/03/32/13/369033213.db2.gz RKNNJKRDAPQGGT-GWCFXTLKSA-N 2 1 280.799 2.302 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999237 369033220 /nfs/dbraw/zinc/03/32/20/369033220.db2.gz RKNNJKRDAPQGGT-GWCFXTLKSA-N 2 1 280.799 2.302 10 0 CEAEMP C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231454219 370479372 /nfs/dbraw/zinc/47/93/72/370479372.db2.gz OVWDBGWOIIREDG-MRXNPFEDSA-N 2 1 284.407 2.446 10 0 CEAEMP C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231454219 370479379 /nfs/dbraw/zinc/47/93/79/370479379.db2.gz OVWDBGWOIIREDG-MRXNPFEDSA-N 2 1 284.407 2.446 10 0 CEAEMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250239443 371381382 /nfs/dbraw/zinc/38/13/82/371381382.db2.gz HCXWHWKMMJJCEV-LUKYLMHMSA-N 2 1 279.472 2.371 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250239443 371381387 /nfs/dbraw/zinc/38/13/87/371381387.db2.gz HCXWHWKMMJJCEV-LUKYLMHMSA-N 2 1 279.472 2.371 10 0 CEAEMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261590906 371667316 /nfs/dbraw/zinc/66/73/16/371667316.db2.gz LSJRUEXVVVLBGM-AEGPPILISA-N 2 1 260.381 2.173 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]12 ZINC000261556091 371645899 /nfs/dbraw/zinc/64/58/99/371645899.db2.gz BWFDJPDDIKCOQM-LJWDBELGSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]12 ZINC000261556091 371645905 /nfs/dbraw/zinc/64/59/05/371645905.db2.gz BWFDJPDDIKCOQM-LJWDBELGSA-N 2 1 252.308 2.134 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705475 371706862 /nfs/dbraw/zinc/70/68/62/371706862.db2.gz CXCABVWRVHHJQO-RDJZCZTQSA-N 3 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)[nH+]1 ZINC000261705475 371706871 /nfs/dbraw/zinc/70/68/71/371706871.db2.gz CXCABVWRVHHJQO-RDJZCZTQSA-N 3 1 288.439 2.123 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@@H]12 ZINC000261755623 371721384 /nfs/dbraw/zinc/72/13/84/371721384.db2.gz CNBOOZTVMOUECM-IJLUTSLNSA-N 2 1 263.410 2.190 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@H]12 ZINC000261789394 371732681 /nfs/dbraw/zinc/73/26/81/371732681.db2.gz QHXPBIVYRXKXIJ-OWCLPIDISA-N 2 1 267.376 2.404 10 0 CEAEMP CC[N@H+](Cc1ccnn1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000261939705 371779348 /nfs/dbraw/zinc/77/93/48/371779348.db2.gz MNUCFYBBHWBRIM-CQSZACIVSA-N 2 1 264.417 2.428 10 0 CEAEMP CC[N@@H+](Cc1ccnn1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000261939705 371779352 /nfs/dbraw/zinc/77/93/52/371779352.db2.gz MNUCFYBBHWBRIM-CQSZACIVSA-N 2 1 264.417 2.428 10 0 CEAEMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262027610 371804204 /nfs/dbraw/zinc/80/42/04/371804204.db2.gz XEUWXLACLBZTBR-KSZLIROESA-N 2 1 288.435 2.284 10 0 CEAEMP c1cc2c(cc1C[N@H+]1CCO[C@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000211319014 541861296 /nfs/dbraw/zinc/86/12/96/541861296.db2.gz PZUVWJAGDCOMED-ROUUACIJSA-N 2 1 286.419 2.476 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000344320891 217147994 /nfs/dbraw/zinc/14/79/94/217147994.db2.gz IVNDLKBXSRFHHI-GFCCVEGCSA-N 2 1 276.428 2.432 10 0 CEAEMP CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)nc(C)n1 ZINC000272865736 373686048 /nfs/dbraw/zinc/68/60/48/373686048.db2.gz MVZQISBTRGBRKS-GJZGRUSLSA-N 2 1 274.412 2.410 10 0 CEAEMP CCOCC[N@H+]1CCN(c2cc[nH+]c(C)c2)C[C@H]1CC ZINC000274320574 373878610 /nfs/dbraw/zinc/87/86/10/373878610.db2.gz CQJFMKNLZIDOGC-OAHLLOKOSA-N 2 1 277.412 2.327 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C[NH2+]CC(C)C ZINC000092675596 184620665 /nfs/dbraw/zinc/62/06/65/184620665.db2.gz XCOOTXKHEYWICG-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+](Cc1ccnn1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000261939700 285123019 /nfs/dbraw/zinc/12/30/19/285123019.db2.gz MNUCFYBBHWBRIM-AWEZNQCLSA-N 2 1 264.417 2.428 10 0 CEAEMP CC[N@@H+](Cc1ccnn1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000261939700 285123023 /nfs/dbraw/zinc/12/30/23/285123023.db2.gz MNUCFYBBHWBRIM-AWEZNQCLSA-N 2 1 264.417 2.428 10 0 CEAEMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CCC2(CC1)OCCO2 ZINC000094011956 184750091 /nfs/dbraw/zinc/75/00/91/184750091.db2.gz ULWWROLWTPFCLH-UHFFFAOYSA-N 2 1 296.455 2.384 10 0 CEAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCOC2(CCCCC2)C1 ZINC000094384625 184792479 /nfs/dbraw/zinc/79/24/79/184792479.db2.gz NDSHXIMIKLVEHW-FPCVCCKLSA-N 2 1 278.440 2.408 10 0 CEAEMP CCc1ccsc1C[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000094880769 184886581 /nfs/dbraw/zinc/88/65/81/184886581.db2.gz IUPUAIILGHJXOZ-CYBMUJFWSA-N 2 1 270.442 2.103 10 0 CEAEMP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000301635527 394463354 /nfs/dbraw/zinc/46/33/54/394463354.db2.gz DXRZOIZSIGBWSC-IAGOWNOFSA-N 2 1 283.375 2.062 10 0 CEAEMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449724 395252724 /nfs/dbraw/zinc/25/27/24/395252724.db2.gz OKLAYQCNADKQFT-GJZGRUSLSA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449724 395252728 /nfs/dbraw/zinc/25/27/28/395252728.db2.gz OKLAYQCNADKQFT-GJZGRUSLSA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449724 395252731 /nfs/dbraw/zinc/25/27/31/395252731.db2.gz OKLAYQCNADKQFT-GJZGRUSLSA-N 3 1 267.461 2.229 10 0 CEAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000191479028 153177896 /nfs/dbraw/zinc/17/78/96/153177896.db2.gz VIMIKLKYKMWFDA-OAHLLOKOSA-N 2 1 294.443 2.364 10 0 CEAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000191479028 153177901 /nfs/dbraw/zinc/17/79/01/153177901.db2.gz VIMIKLKYKMWFDA-OAHLLOKOSA-N 2 1 294.443 2.364 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)[C@@H](C)CC)C12CCOCC2 ZINC000249031058 286386130 /nfs/dbraw/zinc/38/61/30/286386130.db2.gz SLZBXNYFYQNUDG-HRCADAONSA-N 2 1 298.471 2.281 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)[C@@H](C)CC)C12CCOCC2 ZINC000249031058 286386132 /nfs/dbraw/zinc/38/61/32/286386132.db2.gz SLZBXNYFYQNUDG-HRCADAONSA-N 2 1 298.471 2.281 10 0 CEAEMP CC(C)(C)C1CCC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000164656706 162336959 /nfs/dbraw/zinc/33/69/59/162336959.db2.gz XZTDSEAXOOCDCK-NRXISQOPSA-N 2 1 268.445 2.498 10 0 CEAEMP CC(C)(C)C1CCC(C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000164656706 162336961 /nfs/dbraw/zinc/33/69/61/162336961.db2.gz XZTDSEAXOOCDCK-NRXISQOPSA-N 2 1 268.445 2.498 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365737 171164153 /nfs/dbraw/zinc/16/41/53/171164153.db2.gz YJCNPWMGJHMQQF-KBPBESRZSA-N 2 1 271.449 2.001 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037484572 173228700 /nfs/dbraw/zinc/22/87/00/173228700.db2.gz GDJRVYWHYKQUGO-LBPRGKRZSA-N 2 1 283.213 2.490 10 0 CEAEMP CC[NH+](CC)Cc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000038040731 174041159 /nfs/dbraw/zinc/04/11/59/174041159.db2.gz DWKWVCJAFSLSOF-UHFFFAOYSA-N 2 1 275.440 2.370 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CN3CCC2CC3)([NH+](C)C)C1 ZINC000040668649 174367286 /nfs/dbraw/zinc/36/72/86/174367286.db2.gz FFAJFPSYCMKZQP-DJIMGWMZSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671166 174369005 /nfs/dbraw/zinc/36/90/05/174369005.db2.gz XXYRNOHGOPFGBK-GOSISDBHSA-N 2 1 289.467 2.235 10 0 CEAEMP CCC[N@H+](CC(=O)NCCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748519 174393562 /nfs/dbraw/zinc/39/35/62/174393562.db2.gz OQEDHZGQFLRZQU-XYPWUTKMSA-N 2 1 295.471 2.144 10 0 CEAEMP CCC[N@@H+](CC(=O)NCCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748519 174393563 /nfs/dbraw/zinc/39/35/63/174393563.db2.gz OQEDHZGQFLRZQU-XYPWUTKMSA-N 2 1 295.471 2.144 10 0 CEAEMP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000043818235 175113027 /nfs/dbraw/zinc/11/30/27/175113027.db2.gz CRUHXEXWLMSRTL-DLBZAZTESA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)CCC)OCCO2 ZINC000043884814 175116759 /nfs/dbraw/zinc/11/67/59/175116759.db2.gz BOQNLWISDCUAJQ-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)CCC)OCCO2 ZINC000043884814 175116760 /nfs/dbraw/zinc/11/67/60/175116760.db2.gz BOQNLWISDCUAJQ-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890161 175118210 /nfs/dbraw/zinc/11/82/10/175118210.db2.gz WIVGINFARQVGLG-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP Cc1nc(C[N@H+](C)CCC2CC[NH2+]CC2)cs1 ZINC000044609944 175216363 /nfs/dbraw/zinc/21/63/63/175216363.db2.gz XUTFUSYRNFANFL-UHFFFAOYSA-N 2 1 253.415 2.273 10 0 CEAEMP Cc1nc(C[N@@H+](C)CCC2CC[NH2+]CC2)cs1 ZINC000044609944 175216364 /nfs/dbraw/zinc/21/63/64/175216364.db2.gz XUTFUSYRNFANFL-UHFFFAOYSA-N 2 1 253.415 2.273 10 0 CEAEMP C[N@@H+](CCOc1ccc(C(N)=[NH2+])cc1)CC(C)(C)C ZINC000045074254 175302560 /nfs/dbraw/zinc/30/25/60/175302560.db2.gz MWUNNTONDRNMGS-UHFFFAOYSA-N 2 1 263.385 2.327 10 0 CEAEMP C[C@H](Cn1c(N)[nH+]c2cc(Cl)ccc21)[NH+](C)C ZINC000045108634 175308821 /nfs/dbraw/zinc/30/88/21/175308821.db2.gz QJZZFKQIPIFXJI-MRVPVSSYSA-N 2 1 252.749 2.222 10 0 CEAEMP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135376 175312416 /nfs/dbraw/zinc/31/24/16/175312416.db2.gz QJUBFWXXQUNRQH-HRCADAONSA-N 2 1 267.461 2.037 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000045135562 175313593 /nfs/dbraw/zinc/31/35/93/175313593.db2.gz QINXHMZGLLUFKE-OAHLLOKOSA-N 2 1 297.487 2.378 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000045171152 175320900 /nfs/dbraw/zinc/32/09/00/175320900.db2.gz YGQBDPMMPXGPJG-LLVKDONJSA-N 2 1 276.428 2.314 10 0 CEAEMP CCC[NH2+][C@](C)(CC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045273857 175344467 /nfs/dbraw/zinc/34/44/67/175344467.db2.gz UOJGLNDMTBSCES-MRXNPFEDSA-N 2 1 285.476 2.234 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+](CC)CC(CC)CC)C(N)=O ZINC000045277854 175348075 /nfs/dbraw/zinc/34/80/75/175348075.db2.gz VSESBIAVOBLPME-INIZCTEOSA-N 2 1 285.476 2.378 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+](CC)CC(CC)CC)C(N)=O ZINC000045277854 175348076 /nfs/dbraw/zinc/34/80/76/175348076.db2.gz VSESBIAVOBLPME-INIZCTEOSA-N 2 1 285.476 2.378 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045368278 175362903 /nfs/dbraw/zinc/36/29/03/175362903.db2.gz DIYLKUSKHWNLJE-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045368258 175363243 /nfs/dbraw/zinc/36/32/43/175363243.db2.gz UNBXVFSJZJZQTG-HNNXBMFYSA-N 2 1 271.449 2.132 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377985 175367573 /nfs/dbraw/zinc/36/75/73/175367573.db2.gz KYUCFXYNEHLCRB-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OC ZINC000045377985 175367575 /nfs/dbraw/zinc/36/75/75/175367575.db2.gz KYUCFXYNEHLCRB-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382729 175370685 /nfs/dbraw/zinc/37/06/85/175370685.db2.gz DAUJSRSUCJDFLF-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CC)C(=O)OCC ZINC000045382729 175370687 /nfs/dbraw/zinc/37/06/87/175370687.db2.gz DAUJSRSUCJDFLF-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045383641 175370867 /nfs/dbraw/zinc/37/08/67/175370867.db2.gz OSPJDEPKOIXETK-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045383641 175370868 /nfs/dbraw/zinc/37/08/68/175370868.db2.gz OSPJDEPKOIXETK-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385524 175371864 /nfs/dbraw/zinc/37/18/64/175371864.db2.gz DSHJPGYGFZLTLV-ZFWWWQNUSA-N 2 1 271.449 2.131 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C ZINC000045384842 175372501 /nfs/dbraw/zinc/37/25/01/175372501.db2.gz GURVWOSPBREASL-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C ZINC000045384842 175372502 /nfs/dbraw/zinc/37/25/02/175372502.db2.gz GURVWOSPBREASL-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)C(CC)CC)[NH2+]C ZINC000045391585 175374483 /nfs/dbraw/zinc/37/44/83/175374483.db2.gz MYAJXHLWZBAYEV-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C(CC)CC)[NH2+]C ZINC000045391585 175374484 /nfs/dbraw/zinc/37/44/84/175374484.db2.gz MYAJXHLWZBAYEV-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](CC)C1CCCC1 ZINC000045390582 175374807 /nfs/dbraw/zinc/37/48/07/175374807.db2.gz CQNMHRRNEJVGPG-OAHLLOKOSA-N 2 1 270.417 2.312 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(N)=O ZINC000045390645 175374812 /nfs/dbraw/zinc/37/48/12/175374812.db2.gz CWAQLYRAHADRCU-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419976 175377707 /nfs/dbraw/zinc/37/77/07/175377707.db2.gz CCRHJZJDIAOQQH-INIZCTEOSA-N 2 1 284.444 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419976 175377708 /nfs/dbraw/zinc/37/77/08/175377708.db2.gz CCRHJZJDIAOQQH-INIZCTEOSA-N 2 1 284.444 2.428 10 0 CEAEMP CC(C)[NH2+]Cc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)on1 ZINC000070386516 175904632 /nfs/dbraw/zinc/90/46/32/175904632.db2.gz WCMWEUFRFFHHIY-TXEJJXNPSA-N 2 1 283.441 2.498 10 0 CEAEMP CC(C)[NH2+]Cc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)on1 ZINC000070386516 175904634 /nfs/dbraw/zinc/90/46/34/175904634.db2.gz WCMWEUFRFFHHIY-TXEJJXNPSA-N 2 1 283.441 2.498 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123782 176034941 /nfs/dbraw/zinc/03/49/41/176034941.db2.gz KRIPWZWFVRIPQK-ILXRZTDVSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+](CCCOC)CCOC)C1 ZINC000071124061 176035369 /nfs/dbraw/zinc/03/53/69/176035369.db2.gz TUXQLLNNEBOSBD-HZPDHXFCSA-N 2 1 286.460 2.269 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146122 176042480 /nfs/dbraw/zinc/04/24/80/176042480.db2.gz ZEHQLJFEPDIIOC-AWEZNQCLSA-N 2 1 289.423 2.193 10 0 CEAEMP C[C@H]1CCC[C@H]([N@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147420 176043522 /nfs/dbraw/zinc/04/35/22/176043522.db2.gz MALFUXHMXQYHQQ-HOTGVXAUSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188095 176061884 /nfs/dbraw/zinc/06/18/84/176061884.db2.gz OKGCUUBLTOPYFF-NFAWXSAZSA-N 2 1 281.469 2.410 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188082 176062360 /nfs/dbraw/zinc/06/23/60/176062360.db2.gz WUNPGMQCROCONR-ZENOOKHLSA-N 2 1 279.403 2.098 10 0 CEAEMP C[C@@H](C[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071188448 176062754 /nfs/dbraw/zinc/06/27/54/176062754.db2.gz SWOCKCVDRCRMJJ-LZLYRXPVSA-N 2 1 289.467 2.391 10 0 CEAEMP Cc1cc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000071188327 176063152 /nfs/dbraw/zinc/06/31/52/176063152.db2.gz MATVTRDVYFBDEZ-HIFRSBDPSA-N 2 1 281.469 2.248 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188783 176063301 /nfs/dbraw/zinc/06/33/01/176063301.db2.gz ARTXEKGNDIEQGU-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C)c(C)c1 ZINC000071188876 176063993 /nfs/dbraw/zinc/06/39/93/176063993.db2.gz CKTDQSLUGRCQCZ-SJLPKXTDSA-N 2 1 289.467 2.447 10 0 CEAEMP C[NH2+][C@@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189400 176064190 /nfs/dbraw/zinc/06/41/90/176064190.db2.gz OIFQXMGZJFLCGW-QWHCGFSZSA-N 2 1 279.403 2.494 10 0 CEAEMP CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192328 176073021 /nfs/dbraw/zinc/07/30/21/176073021.db2.gz ZRLFHCYMNOENSY-QLFBSQMISA-N 2 1 255.450 2.037 10 0 CEAEMP COCCC[N@@H+](CCCCCC[NH2+]C1CC1)CCOC ZINC000071289275 176110391 /nfs/dbraw/zinc/11/03/91/176110391.db2.gz HXUKDZWLCSFSFL-UHFFFAOYSA-N 2 1 286.460 2.284 10 0 CEAEMP CCOC(=O)CCCCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071297769 176112773 /nfs/dbraw/zinc/11/27/73/176112773.db2.gz NOHLBYBPSQFFEE-AGUYFDCRSA-N 2 1 268.401 2.064 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246541737 287347714 /nfs/dbraw/zinc/34/77/14/287347714.db2.gz SJWCYIMAOIUFED-PMPSAXMXSA-N 2 1 295.471 2.132 10 0 CEAEMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000398004123 270355662 /nfs/dbraw/zinc/35/56/62/270355662.db2.gz PMLAXQPBBDPLNT-IRXDYDNUSA-N 2 1 275.440 2.095 10 0 CEAEMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261825551 275073809 /nfs/dbraw/zinc/07/38/09/275073809.db2.gz UGJXFFFITSEQBI-HOCLYGCPSA-N 2 1 267.376 2.276 10 0 CEAEMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529337 278344371 /nfs/dbraw/zinc/34/43/71/278344371.db2.gz RDIKHXLMCOGRBN-WBVHZDCISA-N 2 1 275.440 2.096 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529337 278344373 /nfs/dbraw/zinc/34/43/73/278344373.db2.gz RDIKHXLMCOGRBN-WBVHZDCISA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529337 278344374 /nfs/dbraw/zinc/34/43/74/278344374.db2.gz RDIKHXLMCOGRBN-WBVHZDCISA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529337 278344375 /nfs/dbraw/zinc/34/43/75/278344375.db2.gz RDIKHXLMCOGRBN-WBVHZDCISA-N 2 1 275.440 2.096 10 0 CEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262281928 289259357 /nfs/dbraw/zinc/25/93/57/289259357.db2.gz LGKIHRQXPNLRIY-QLFBSQMISA-N 2 1 295.471 2.131 10 0 CEAEMP C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)[NH2+]C1CCOCC1 ZINC000062767715 518391332 /nfs/dbraw/zinc/39/13/32/518391332.db2.gz BCNYNLCASHFWSR-LSDHHAIUSA-N 2 1 266.429 2.267 10 0 CEAEMP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)[NH2+]C1CCOCC1 ZINC000062767715 518391337 /nfs/dbraw/zinc/39/13/37/518391337.db2.gz BCNYNLCASHFWSR-LSDHHAIUSA-N 2 1 266.429 2.267 10 0 CEAEMP CC(C)[C@H]1C[N@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062660571 519826898 /nfs/dbraw/zinc/82/68/98/519826898.db2.gz ICSRTQWIVIXSDJ-MRXNPFEDSA-N 2 1 262.397 2.385 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062660571 519826899 /nfs/dbraw/zinc/82/68/99/519826899.db2.gz ICSRTQWIVIXSDJ-MRXNPFEDSA-N 2 1 262.397 2.385 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)[C@@H]2CCSC2)CCOCC1 ZINC000052181486 519909213 /nfs/dbraw/zinc/90/92/13/519909213.db2.gz CBQMUVYIPVBJNQ-CQSZACIVSA-N 2 1 286.485 2.220 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CCOC)CC(C)C)O1 ZINC000052508700 519938167 /nfs/dbraw/zinc/93/81/67/519938167.db2.gz PHVNCXZIHNUGCZ-HZPDHXFCSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637868 520108942 /nfs/dbraw/zinc/10/89/42/520108942.db2.gz RSVNYLXKPSASMJ-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637868 520108946 /nfs/dbraw/zinc/10/89/46/520108946.db2.gz RSVNYLXKPSASMJ-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](Cc1ccsc1)C1CC1 ZINC000062741039 520306646 /nfs/dbraw/zinc/30/66/46/520306646.db2.gz UKNXWVWMMCLSLT-CQSZACIVSA-N 2 1 268.426 2.466 10 0 CEAEMP CC[N@@H+](CC(C)C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052449905 520413594 /nfs/dbraw/zinc/41/35/94/520413594.db2.gz GJIGZWOOBAVXIE-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1CCCC(C)(C)C1 ZINC000069516436 521152938 /nfs/dbraw/zinc/15/29/38/521152938.db2.gz CRNMYQVVTRBUQJ-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000054601229 521550101 /nfs/dbraw/zinc/55/01/01/521550101.db2.gz MYOBDSRVXJLKRX-GASCZTMLSA-N 2 1 264.413 2.304 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503309 522139462 /nfs/dbraw/zinc/13/94/62/522139462.db2.gz NDCZRTZCBIMBBT-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+](CCOC)CC(C)C)cc1C ZINC000052508792 522161155 /nfs/dbraw/zinc/16/11/55/522161155.db2.gz AFUZBVAVBIVOAR-UHFFFAOYSA-N 2 1 268.401 2.412 10 0 CEAEMP C[NH2+]Cc1sc(N2CCC[N@@H+](C)CC2)nc1C(C)(C)C ZINC000054968955 522166820 /nfs/dbraw/zinc/16/68/20/522166820.db2.gz ZALNSOONFQXNNJ-UHFFFAOYSA-N 2 1 296.484 2.302 10 0 CEAEMP CC[C@@H](C[NH2+]C)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702402 522545541 /nfs/dbraw/zinc/54/55/41/522545541.db2.gz FLTNIKMIJKXCOU-JKSUJKDBSA-N 2 1 262.397 2.276 10 0 CEAEMP C(CC[N@H+]1CCO[C@H]2CCCC[C@H]21)C[NH2+]C1CC1 ZINC000052573027 518383065 /nfs/dbraw/zinc/38/30/65/518383065.db2.gz GPKCXGAOXUPHDZ-CABCVRRESA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)C[C@@H]1CSC(N[C@@H]2CC[N@H+]3CCC[C@H]23)=[NH+]1 ZINC000049569650 519276902 /nfs/dbraw/zinc/27/69/02/519276902.db2.gz VNEBCDSTYRMKMR-JHJVBQTASA-N 2 1 267.442 2.330 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055139094 519612997 /nfs/dbraw/zinc/61/29/97/519612997.db2.gz HXFGHLACOUNRAG-UHFFFAOYSA-N 2 1 283.460 2.131 10 0 CEAEMP CC(C)CCOCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602816 519665849 /nfs/dbraw/zinc/66/58/49/519665849.db2.gz HVEVIPKEUIMGPK-GOOCMWNKSA-N 2 1 254.418 2.393 10 0 CEAEMP CC(C)N1CC[NH+](Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052480076 519682902 /nfs/dbraw/zinc/68/29/02/519682902.db2.gz WUVHLVXFPVEFDQ-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181056 519719641 /nfs/dbraw/zinc/71/96/41/519719641.db2.gz MJZIIKVOFVBLTP-MRXNPFEDSA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)[NH2+]CCCCC[NH+]1CCN(CC2CC2)CC1 ZINC000052372503 519720523 /nfs/dbraw/zinc/72/05/23/519720523.db2.gz APNIJJQNLWBZIM-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000052424340 519726683 /nfs/dbraw/zinc/72/66/83/519726683.db2.gz PKOHLUXIRDEBED-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000052424340 519726684 /nfs/dbraw/zinc/72/66/84/519726684.db2.gz PKOHLUXIRDEBED-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000052424340 519726686 /nfs/dbraw/zinc/72/66/86/519726686.db2.gz PKOHLUXIRDEBED-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452839 519745995 /nfs/dbraw/zinc/74/59/95/519745995.db2.gz OKKAPYQLEPZWPI-CABCVRRESA-N 2 1 256.434 2.367 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](CCOC)[C@H](C)CC)CCOCC1 ZINC000052183546 519913184 /nfs/dbraw/zinc/91/31/84/519913184.db2.gz LLWJYSFFFUBHKI-OAHLLOKOSA-N 2 1 286.460 2.140 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CCN(C)C)CC(C)C)O1 ZINC000052503395 519938335 /nfs/dbraw/zinc/93/83/35/519938335.db2.gz XPWMOROSVVDUIK-IAGOWNOFSA-N 2 1 299.503 2.053 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](CN(CC[NH+](C)C)CC(C)C)O1 ZINC000052503395 519938342 /nfs/dbraw/zinc/93/83/42/519938342.db2.gz XPWMOROSVVDUIK-IAGOWNOFSA-N 2 1 299.503 2.053 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000052476043 519948335 /nfs/dbraw/zinc/94/83/35/519948335.db2.gz RPAXHMKQTOBGIV-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1 ZINC000052476043 519948340 /nfs/dbraw/zinc/94/83/40/519948340.db2.gz RPAXHMKQTOBGIV-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000052422536 519957099 /nfs/dbraw/zinc/95/70/99/519957099.db2.gz VEDDSLQLOCQVET-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2F)O1 ZINC000052541468 519977198 /nfs/dbraw/zinc/97/71/98/519977198.db2.gz BLWPUWHVKPVCEF-CABCVRRESA-N 2 1 280.387 2.415 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CC)C2CCCC2)O1 ZINC000052475581 519979623 /nfs/dbraw/zinc/97/96/23/519979623.db2.gz BQUCDHYAEYPMAF-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C[C@](C)(CC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763321 519981885 /nfs/dbraw/zinc/98/18/85/519981885.db2.gz ABJHDLYQZQZYGM-CABCVRRESA-N 2 1 256.434 2.249 10 0 CEAEMP CC[NH2+]Cc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000052380249 520003481 /nfs/dbraw/zinc/00/34/81/520003481.db2.gz LSGXTKAMCNKZDO-ZIAGYGMSSA-N 2 1 262.397 2.405 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653565 520093196 /nfs/dbraw/zinc/09/31/96/520093196.db2.gz JWRDHVQLORAVBJ-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653565 520093203 /nfs/dbraw/zinc/09/32/03/520093203.db2.gz JWRDHVQLORAVBJ-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516480 520131432 /nfs/dbraw/zinc/13/14/32/520131432.db2.gz QBSFDDKUXGAPGP-INIZCTEOSA-N 2 1 283.460 2.132 10 0 CEAEMP CCCO[C@H]1CCC[N@@H+](Cc2ccoc2C[NH3+])C1 ZINC000052371578 520285759 /nfs/dbraw/zinc/28/57/59/520285759.db2.gz AQPPEUATHFDVKL-ZDUSSCGKSA-N 2 1 252.358 2.129 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000062741246 520309542 /nfs/dbraw/zinc/30/95/42/520309542.db2.gz DWDZFPPXFCGWQR-JKSUJKDBSA-N 2 1 262.397 2.230 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CCCC(C)(C)C1 ZINC000069516436 521152928 /nfs/dbraw/zinc/15/29/28/521152928.db2.gz CRNMYQVVTRBUQJ-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP CC[NH+]1CCN(c2nc(C)c(C[NH2+]C(C)(C)C)s2)CC1 ZINC000054994823 521699912 /nfs/dbraw/zinc/69/99/12/521699912.db2.gz NTOYZPZIWWTTEG-UHFFFAOYSA-N 2 1 296.484 2.482 10 0 CEAEMP CC[NH+]1CCN(c2nc3c(s2)[C@@H]([NH3+])CC(C)(C)C3)CC1 ZINC000054863982 521700620 /nfs/dbraw/zinc/70/06/20/521700620.db2.gz WZDMLSKHNYLEIE-NSHDSACASA-N 2 1 294.468 2.257 10 0 CEAEMP CCC1(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC000062851039 521702587 /nfs/dbraw/zinc/70/25/87/521702587.db2.gz ZKVDMONORRQVJT-GJZGRUSLSA-N 2 1 266.429 2.410 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346221 522093600 /nfs/dbraw/zinc/09/36/00/522093600.db2.gz YILZUWGIVYZMAW-CABCVRRESA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@H]1CCSC1 ZINC000052453326 522139263 /nfs/dbraw/zinc/13/92/63/522139263.db2.gz IQSVBLMHXFWIBC-AWEZNQCLSA-N 2 1 280.437 2.222 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503309 522139453 /nfs/dbraw/zinc/13/94/53/522139453.db2.gz NDCZRTZCBIMBBT-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1CCCSCC1 ZINC000052371070 522140067 /nfs/dbraw/zinc/14/00/67/522140067.db2.gz KOYIGMDSYDOTDJ-UHFFFAOYSA-N 2 1 280.437 2.224 10 0 CEAEMP C[NH2+][C@@H](CN(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1C ZINC000053245028 522354154 /nfs/dbraw/zinc/35/41/54/522354154.db2.gz JLEYASQPVMCDFV-WBVHZDCISA-N 2 1 275.440 2.282 10 0 CEAEMP CC[C@@H](C[NH2+]C1CC1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545297 522545369 /nfs/dbraw/zinc/54/53/69/522545369.db2.gz RPBDXMLWMQVHRI-WFASDCNBSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@@H](C[NH2+]C1CC1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545297 522545377 /nfs/dbraw/zinc/54/53/77/522545377.db2.gz RPBDXMLWMQVHRI-WFASDCNBSA-N 2 1 254.418 2.264 10 0 CEAEMP COc1cc2c(cc1OC)C[N@H+]([C@@H](C)CCC[NH3+])CC2 ZINC000052417242 523032227 /nfs/dbraw/zinc/03/22/27/523032227.db2.gz YVCRRKWNYVJYAA-LBPRGKRZSA-N 2 1 278.396 2.189 10 0 CEAEMP COCCC[N@H+](CCOC)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052543176 523259450 /nfs/dbraw/zinc/25/94/50/523259450.db2.gz SYFLDGXIJYLZJB-INIZCTEOSA-N 2 1 288.476 2.242 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052543176 523259463 /nfs/dbraw/zinc/25/94/63/523259463.db2.gz SYFLDGXIJYLZJB-INIZCTEOSA-N 2 1 288.476 2.242 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571055 523517696 /nfs/dbraw/zinc/51/76/96/523517696.db2.gz RLTUJPFTXNLYBK-ZWNOBZJWSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571055 523517704 /nfs/dbraw/zinc/51/77/04/523517704.db2.gz RLTUJPFTXNLYBK-ZWNOBZJWSA-N 2 1 252.358 2.046 10 0 CEAEMP CN(c1cc(Cl)ccc1C(N)=[NH2+])[C@H]1CCC[N@@H+](C)C1 ZINC000062788994 523631323 /nfs/dbraw/zinc/63/13/23/523631323.db2.gz NVBMNZYMRIDRCI-NSHDSACASA-N 2 1 280.803 2.154 10 0 CEAEMP COCC[N@@H+](CC(C)C)C[C@@H](C)C[NH2+]CC(C)C ZINC000052508471 523678731 /nfs/dbraw/zinc/67/87/31/523678731.db2.gz YJSGLIVAKOIYOR-HNNXBMFYSA-N 2 1 258.450 2.473 10 0 CEAEMP COCC[N@@H+](CCC[NH2+]CC(C)C)[C@H](C)C1CC1 ZINC000052545324 523693413 /nfs/dbraw/zinc/69/34/13/523693413.db2.gz ZBJGGDGMOAAGED-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP COCC[NH+](CCOC)CC1(C[NH2+]C2CC2)CCCCC1 ZINC000051258328 523716260 /nfs/dbraw/zinc/71/62/60/523716260.db2.gz GQVZGKSKALDODB-UHFFFAOYSA-N 2 1 298.471 2.284 10 0 CEAEMP COCC[N@@H+](Cc1cc(C[NH3+])oc1C)[C@@H](C)C1CC1 ZINC000052545387 523740394 /nfs/dbraw/zinc/74/03/94/523740394.db2.gz SALUEJCDFWYSED-NSHDSACASA-N 2 1 266.385 2.294 10 0 CEAEMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000049553775 524168779 /nfs/dbraw/zinc/16/87/79/524168779.db2.gz GDOIKWXPDWJFMG-NVXWUHKLSA-N 2 1 275.440 2.191 10 0 CEAEMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049553775 524168789 /nfs/dbraw/zinc/16/87/89/524168789.db2.gz GDOIKWXPDWJFMG-NVXWUHKLSA-N 2 1 275.440 2.191 10 0 CEAEMP Cc1cccc(C[N@H+](C)Cc2ccnc(C[NH3+])c2)c1 ZINC000068749810 524376937 /nfs/dbraw/zinc/37/69/37/524376937.db2.gz QOUGFVZHSSOZIX-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP C[C@@H]1CCC[C@](CN)([N@@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630052 524428135 /nfs/dbraw/zinc/42/81/35/524428135.db2.gz XTKVHMHPSHCBLD-BFYDXBDKSA-N 2 1 281.488 2.414 10 0 CEAEMP C[C@@H]1CC[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052484454 524511184 /nfs/dbraw/zinc/51/11/84/524511184.db2.gz GXVDZDCOSICUIZ-LLVKDONJSA-N 2 1 251.374 2.405 10 0 CEAEMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000050954124 524953594 /nfs/dbraw/zinc/95/35/94/524953594.db2.gz WEOWSVAHMZCDOF-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP Cc1cc(NCc2ccc(CC[NH3+])cc2)nc(C)[nH+]1 ZINC000052899337 525279364 /nfs/dbraw/zinc/27/93/64/525279364.db2.gz KPGIDSKJBQAXBH-UHFFFAOYSA-N 2 1 256.353 2.207 10 0 CEAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183508 526261213 /nfs/dbraw/zinc/26/12/13/526261213.db2.gz HZMNEFLKSCZROB-UONOGXRCSA-N 2 1 254.418 2.252 10 0 CEAEMP Cc1[nH+]cn(C[C@@H]2CC[C@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593731 527463650 /nfs/dbraw/zinc/46/36/50/527463650.db2.gz JANYMAROEHFQSI-CABCVRRESA-N 2 1 265.401 2.293 10 0 CEAEMP Cc1[nH+]ccn1-c1ncccc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000262577797 625180350 /nfs/dbraw/zinc/18/03/50/625180350.db2.gz YMTOMSYFLOIHEX-CYBMUJFWSA-N 2 1 299.378 2.046 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251751165 641570678 /nfs/dbraw/zinc/57/06/78/641570678.db2.gz LIHZYWDKMXKXFL-XWDNEUNKSA-N 2 1 291.483 2.466 10 0 CEAEMP C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251751165 641570684 /nfs/dbraw/zinc/57/06/84/641570684.db2.gz LIHZYWDKMXKXFL-XWDNEUNKSA-N 2 1 291.483 2.466 10 0 CEAEMP C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251751165 641570689 /nfs/dbraw/zinc/57/06/89/641570689.db2.gz LIHZYWDKMXKXFL-XWDNEUNKSA-N 2 1 291.483 2.466 10 0 CEAEMP C[NH+](C)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253290964 282085008 /nfs/dbraw/zinc/08/50/08/282085008.db2.gz QFGHRDQWBRVIGB-OAGGEKHMSA-N 2 1 268.445 2.344 10 0 CEAEMP CC[NH2+][C@](C)(CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096837000 185116508 /nfs/dbraw/zinc/11/65/08/185116508.db2.gz UOJOCICROYUVCO-HNNXBMFYSA-N 2 1 256.434 2.248 10 0 CEAEMP COC[C@H](C)[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182487 522591841 /nfs/dbraw/zinc/59/18/41/522591841.db2.gz LVNDVZRBRUXPDM-AWEZNQCLSA-N 2 1 286.460 2.138 10 0 CEAEMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH2+]CC2 ZINC000169789906 344482891 /nfs/dbraw/zinc/48/28/91/344482891.db2.gz VMMZJSVPSPMMDM-AWEZNQCLSA-N 2 1 280.437 2.196 10 0 CEAEMP CCC[C@@H]1C[NH2+][C@@H](CC)CN1CCn1cc[nH+]c1C ZINC000085472662 179077310 /nfs/dbraw/zinc/07/73/10/179077310.db2.gz ZZKZQVDRYQARBI-LSDHHAIUSA-N 2 1 264.417 2.044 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529077 179090357 /nfs/dbraw/zinc/09/03/57/179090357.db2.gz GLIGBVLAABZJEI-MRXNPFEDSA-N 2 1 288.439 2.188 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1Cc1ccncc1 ZINC000085623928 179106784 /nfs/dbraw/zinc/10/67/84/179106784.db2.gz KMSHHMCYDVKXNY-CZUORRHYSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1Cc1ccncc1 ZINC000085623928 179106786 /nfs/dbraw/zinc/10/67/86/179106786.db2.gz KMSHHMCYDVKXNY-CZUORRHYSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623744 179107427 /nfs/dbraw/zinc/10/74/27/179107427.db2.gz ULGMVSAUZLESPU-VNQPRFMTSA-N 2 1 266.429 2.408 10 0 CEAEMP C1C[C@@H]([N@@H+]2CCC[NH2+][C@H](C3CCCCC3)C2)CO1 ZINC000085615178 179104086 /nfs/dbraw/zinc/10/40/86/179104086.db2.gz VCHILZPFKLQKLS-CABCVRRESA-N 2 1 252.402 2.020 10 0 CEAEMP C1C[C@@H]([N@H+]2CCC[NH2+][C@H](C3CCCCC3)C2)CO1 ZINC000085615178 179104090 /nfs/dbraw/zinc/10/40/90/179104090.db2.gz VCHILZPFKLQKLS-CABCVRRESA-N 2 1 252.402 2.020 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CCC[NH2+][C@H](C3CC3)C2)c1C ZINC000085615863 179104391 /nfs/dbraw/zinc/10/43/91/179104391.db2.gz UCKGWZTWNKXWRJ-INIZCTEOSA-N 2 1 289.423 2.281 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H](C)[NH2+]CC[C@@H]2C)c1C ZINC000085619915 179105368 /nfs/dbraw/zinc/10/53/68/179105368.db2.gz NUOLWGJIKUNPMQ-STQMWFEESA-N 2 1 277.412 2.279 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086146564 179238378 /nfs/dbraw/zinc/23/83/78/179238378.db2.gz YWEIMYMTVOOWJV-AEFFLSMTSA-N 2 1 287.451 2.363 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCCC[NH+](C)C)[C@@H](C(C)C)CN1 ZINC000086174304 179245477 /nfs/dbraw/zinc/24/54/77/179245477.db2.gz DPQPCMXAVPXLMA-JKSUJKDBSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)[C@@H]1CN(CCCC[NH+](C)C)[C@@H](C(C)C)C[NH2+]1 ZINC000086174304 179245478 /nfs/dbraw/zinc/24/54/78/179245478.db2.gz DPQPCMXAVPXLMA-JKSUJKDBSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[C@@H]1CN[C@H](C)C[N@H+]1CCCC[NH+](C)C(C)C ZINC000086174317 179245688 /nfs/dbraw/zinc/24/56/88/179245688.db2.gz DHLDPFQEXONBIR-HUUCEWRRSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1CN[C@H](C)C[NH+]1CCCC[N@H+](C)C(C)C ZINC000086174317 179245689 /nfs/dbraw/zinc/24/56/89/179245689.db2.gz DHLDPFQEXONBIR-HUUCEWRRSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1CN[C@H](C)C[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086174317 179245690 /nfs/dbraw/zinc/24/56/90/179245690.db2.gz DHLDPFQEXONBIR-HUUCEWRRSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C)CN1CCCC[N@H+](C)C(C)C ZINC000086174317 179245692 /nfs/dbraw/zinc/24/56/92/179245692.db2.gz DHLDPFQEXONBIR-HUUCEWRRSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C)CN1CCCC[N@@H+](C)C(C)C ZINC000086174317 179245693 /nfs/dbraw/zinc/24/56/93/179245693.db2.gz DHLDPFQEXONBIR-HUUCEWRRSA-N 2 1 255.450 2.179 10 0 CEAEMP C[C@@]1(c2ccccc2)CN([C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145963 179238955 /nfs/dbraw/zinc/23/89/55/179238955.db2.gz OPBKHATXFBNDHD-MSOLQXFVSA-N 2 1 285.435 2.044 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086145830 179239269 /nfs/dbraw/zinc/23/92/69/179239269.db2.gz LPQWWWAEMUEAFE-IRXDYDNUSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223032 179250349 /nfs/dbraw/zinc/25/03/49/179250349.db2.gz OBNNTZZJWGASKE-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223182 179251861 /nfs/dbraw/zinc/25/18/61/179251861.db2.gz VZGGZBNVCIBAJF-PMPSAXMXSA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223938 179253345 /nfs/dbraw/zinc/25/33/45/179253345.db2.gz FIARODJHDJJYLD-KFWWJZLASA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224012 179253536 /nfs/dbraw/zinc/25/35/36/179253536.db2.gz GCKFSOSLVDFSLD-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)[C@H](C(C)C)CN1 ZINC000086259172 179257896 /nfs/dbraw/zinc/25/78/96/179257896.db2.gz ARQZWERXQXIYTA-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1CN(CC2CC[NH+](CC)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086259172 179257898 /nfs/dbraw/zinc/25/78/98/179257898.db2.gz ARQZWERXQXIYTA-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259262 179257999 /nfs/dbraw/zinc/25/79/99/179257999.db2.gz NMODZGHGFFQCMW-ZNMIVQPWSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259620 179258141 /nfs/dbraw/zinc/25/81/41/179258141.db2.gz SXJTXNUDRFZLEH-QGTPRVQTSA-N 2 1 291.483 2.466 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260729 179260204 /nfs/dbraw/zinc/26/02/04/179260204.db2.gz TXOHEJOTPDKCFQ-NJAFHUGGSA-N 2 1 293.499 2.425 10 0 CEAEMP COc1ccc(CC[N@@H+]2CCC[NH2+]C(C)(C)C2)cc1OC ZINC000086269751 179261826 /nfs/dbraw/zinc/26/18/26/179261826.db2.gz VAZFYWUMZRRJCI-UHFFFAOYSA-N 2 1 292.423 2.320 10 0 CEAEMP COc1ccc(CC[N@H+]2CCC[NH2+]C(C)(C)C2)cc1OC ZINC000086269751 179261829 /nfs/dbraw/zinc/26/18/29/179261829.db2.gz VAZFYWUMZRRJCI-UHFFFAOYSA-N 2 1 292.423 2.320 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086293036 179266573 /nfs/dbraw/zinc/26/65/73/179266573.db2.gz HESNLVIXRGHXQR-HOTGVXAUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@]1(C)CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293016 179266592 /nfs/dbraw/zinc/26/65/92/179266592.db2.gz MDHJMZMKSVDUGJ-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[N@H+](CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298076 179268625 /nfs/dbraw/zinc/26/86/25/179268625.db2.gz NYFJQXLMMQSOBW-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298076 179268628 /nfs/dbraw/zinc/26/86/28/179268628.db2.gz NYFJQXLMMQSOBW-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)CC[N@H+]1C ZINC000086444160 179293547 /nfs/dbraw/zinc/29/35/47/179293547.db2.gz QAXWFWOZTWIBBS-NEPJUHHUSA-N 2 1 294.468 2.270 10 0 CEAEMP C[NH2+][C@@H]1CCCc2sc(N3CC[NH+](C4CC4)CC3)nc21 ZINC000086443919 179293990 /nfs/dbraw/zinc/29/39/90/179293990.db2.gz PFWUCQKIHYNLPC-GFCCVEGCSA-N 2 1 292.452 2.024 10 0 CEAEMP CC1CCC(N(C)[C@]2(C[NH3+])CCC[N@@H+](C)CC2)CC1 ZINC000086819398 179347864 /nfs/dbraw/zinc/34/78/64/179347864.db2.gz LQCCECUAWLADGB-UYSNPLJNSA-N 2 1 267.461 2.310 10 0 CEAEMP C[N@H+]1CCC[C@@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086819256 179348355 /nfs/dbraw/zinc/34/83/55/179348355.db2.gz NTUVGWBWQBWXIH-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP C[N@H+]1CCC[C@@](C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000086819596 179348811 /nfs/dbraw/zinc/34/88/11/179348811.db2.gz LXDNDIFMZCCIEJ-QGZVFWFLSA-N 2 1 279.472 2.456 10 0 CEAEMP CC(C)[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817425 179345096 /nfs/dbraw/zinc/34/50/96/179345096.db2.gz ZFFULUFZEJUXAG-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847598 179356383 /nfs/dbraw/zinc/35/63/83/179356383.db2.gz BWZQKYBEZPHIJM-INIZCTEOSA-N 2 1 279.428 2.305 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846980 179356955 /nfs/dbraw/zinc/35/69/55/179356955.db2.gz LTBWWFDQXSXAGO-INIZCTEOSA-N 2 1 279.428 2.305 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836404 179351100 /nfs/dbraw/zinc/35/11/00/179351100.db2.gz OKWFNLGEBPRBNC-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836404 179351103 /nfs/dbraw/zinc/35/11/03/179351103.db2.gz OKWFNLGEBPRBNC-INIZCTEOSA-N 3 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836404 179351104 /nfs/dbraw/zinc/35/11/04/179351104.db2.gz OKWFNLGEBPRBNC-INIZCTEOSA-N 3 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843058 179352461 /nfs/dbraw/zinc/35/24/61/179352461.db2.gz QZBHKDYKTZZWOA-LSDHHAIUSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843058 179352463 /nfs/dbraw/zinc/35/24/63/179352463.db2.gz QZBHKDYKTZZWOA-LSDHHAIUSA-N 3 1 255.450 2.179 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843058 179352464 /nfs/dbraw/zinc/35/24/64/179352464.db2.gz QZBHKDYKTZZWOA-LSDHHAIUSA-N 3 1 255.450 2.179 10 0 CEAEMP Cc1n[nH]cc1C[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841957 179352742 /nfs/dbraw/zinc/35/27/42/179352742.db2.gz GIYKAADSBPLMLO-AWEZNQCLSA-N 2 1 250.390 2.071 10 0 CEAEMP Cc1n[nH]cc1C[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841957 179352744 /nfs/dbraw/zinc/35/27/44/179352744.db2.gz GIYKAADSBPLMLO-AWEZNQCLSA-N 2 1 250.390 2.071 10 0 CEAEMP CC[N@H+]1CCC[C@H](NCC[NH+]2CCC(C)CC2)CC1 ZINC000086842521 179352941 /nfs/dbraw/zinc/35/29/41/179352941.db2.gz QABBOALESSKJIV-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]CCN2CCC(C)CC2)CC1 ZINC000086842521 179352942 /nfs/dbraw/zinc/35/29/42/179352942.db2.gz QABBOALESSKJIV-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCN2CCC(C)CC2)CC1 ZINC000086842521 179352943 /nfs/dbraw/zinc/35/29/43/179352943.db2.gz QABBOALESSKJIV-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843377 179353226 /nfs/dbraw/zinc/35/32/26/179353226.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843377 179353228 /nfs/dbraw/zinc/35/32/28/179353228.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843377 179353230 /nfs/dbraw/zinc/35/32/30/179353230.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843377 179353233 /nfs/dbraw/zinc/35/32/33/179353233.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843377 179353234 /nfs/dbraw/zinc/35/32/34/179353234.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843377 179353236 /nfs/dbraw/zinc/35/32/36/179353236.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843377 179353237 /nfs/dbraw/zinc/35/32/37/179353237.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840462 179353970 /nfs/dbraw/zinc/35/39/70/179353970.db2.gz BDZBALNOYKDLJF-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000086840462 179353973 /nfs/dbraw/zinc/35/39/73/179353973.db2.gz BDZBALNOYKDLJF-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000086840462 179353975 /nfs/dbraw/zinc/35/39/75/179353975.db2.gz BDZBALNOYKDLJF-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCN(CC)C(=O)CC[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841071 179354004 /nfs/dbraw/zinc/35/40/04/179354004.db2.gz LMSMEVULXINYMT-HNNXBMFYSA-N 2 1 283.460 2.097 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851147 179359816 /nfs/dbraw/zinc/35/98/16/179359816.db2.gz XCBQWTMNDQLCRG-CVEARBPZSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851147 179359817 /nfs/dbraw/zinc/35/98/17/179359817.db2.gz XCBQWTMNDQLCRG-CVEARBPZSA-N 3 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851147 179359819 /nfs/dbraw/zinc/35/98/19/179359819.db2.gz XCBQWTMNDQLCRG-CVEARBPZSA-N 3 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851147 179359821 /nfs/dbraw/zinc/35/98/21/179359821.db2.gz XCBQWTMNDQLCRG-CVEARBPZSA-N 3 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851147 179359823 /nfs/dbraw/zinc/35/98/23/179359823.db2.gz XCBQWTMNDQLCRG-CVEARBPZSA-N 3 1 267.461 2.454 10 0 CEAEMP CC[N@@H+]1CCC[C@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868248 179360681 /nfs/dbraw/zinc/36/06/81/179360681.db2.gz FUQFYMMMUQNLKZ-AWEZNQCLSA-N 2 1 268.426 2.075 10 0 CEAEMP CC[N@H+]1CCC[C@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868248 179360684 /nfs/dbraw/zinc/36/06/84/179360684.db2.gz FUQFYMMMUQNLKZ-AWEZNQCLSA-N 2 1 268.426 2.075 10 0 CEAEMP CCCSC[C@@H](Cc1cc[nH+]c(N)c1)[NH2+]CC ZINC000087107685 179395285 /nfs/dbraw/zinc/39/52/85/179395285.db2.gz ICMRDDQBCWEYJY-GFCCVEGCSA-N 2 1 253.415 2.328 10 0 CEAEMP Nc1cc(C[C@@H]([NH3+])CSc2ccccc2)cc[nH+]1 ZINC000087162087 179398603 /nfs/dbraw/zinc/39/86/03/179398603.db2.gz UUXFGYXZNLFRTP-GFCCVEGCSA-N 2 1 259.378 2.326 10 0 CEAEMP COc1c(C)c[nH+]c(C[C@]2(O)CCC[N@H+](C)CC2)c1C ZINC000087186266 179399681 /nfs/dbraw/zinc/39/96/81/179399681.db2.gz TVCHYGPRQFAALL-INIZCTEOSA-N 2 1 278.396 2.096 10 0 CEAEMP COc1c(C)c[nH+]c(C[C@]2(O)CCC[N@@H+](C)CC2)c1C ZINC000087186266 179399683 /nfs/dbraw/zinc/39/96/83/179399683.db2.gz TVCHYGPRQFAALL-INIZCTEOSA-N 2 1 278.396 2.096 10 0 CEAEMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000067847171 362928268 /nfs/dbraw/zinc/92/82/68/362928268.db2.gz RJFQHBWRMHQZBC-LLVKDONJSA-N 2 1 285.351 2.296 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566056 180005652 /nfs/dbraw/zinc/00/56/52/180005652.db2.gz WEQWSSBVHFYNRC-LJISPDSOSA-N 2 1 254.418 2.264 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606679 180010993 /nfs/dbraw/zinc/01/09/93/180010993.db2.gz SYWWHXRSOCMWHB-UONOGXRCSA-N 2 1 268.788 2.136 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878924 180052646 /nfs/dbraw/zinc/05/26/46/180052646.db2.gz WJVZOCSESARQFG-HUBLWGQQSA-N 2 1 278.371 2.188 10 0 CEAEMP c1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1)O2 ZINC000090878911 180052814 /nfs/dbraw/zinc/05/28/14/180052814.db2.gz SYYYYBYQEMVMLQ-DLBZAZTESA-N 2 1 286.419 2.454 10 0 CEAEMP CC[C@](C)(C[NH3+])[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377211 539759190 /nfs/dbraw/zinc/75/91/90/539759190.db2.gz JKUUEVKERJUDRF-SJORKVTESA-N 2 1 276.424 2.389 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2cccc2C[C@@H](C)[NH3+])c1C ZINC000091005275 180084860 /nfs/dbraw/zinc/08/48/60/180084860.db2.gz KQNLIPBGIOJTDD-GFCCVEGCSA-N 2 1 273.380 2.447 10 0 CEAEMP CC[N@@H+](Cc1cncn1C(C)C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091273114 180118094 /nfs/dbraw/zinc/11/80/94/180118094.db2.gz CCVKKNDTXGIJLU-UKRRQHHQSA-N 2 1 264.417 2.413 10 0 CEAEMP CC(C)n1cncc1C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091273112 180118112 /nfs/dbraw/zinc/11/81/12/180118112.db2.gz VORILYVSFNPKQI-OCCSQVGLSA-N 2 1 250.390 2.023 10 0 CEAEMP CC(C)n1cncc1C[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091273112 180118113 /nfs/dbraw/zinc/11/81/13/180118113.db2.gz VORILYVSFNPKQI-OCCSQVGLSA-N 2 1 250.390 2.023 10 0 CEAEMP c1ccc2c(c1)CC[N@@H+](CC[C@H]1CSCC[NH2+]1)C2 ZINC000091291988 180123856 /nfs/dbraw/zinc/12/38/56/180123856.db2.gz JYMRIZRGLOQXEV-HNNXBMFYSA-N 2 1 262.422 2.140 10 0 CEAEMP c1ccc2c(c1)CC[N@H+](CC[C@H]1CSCC[NH2+]1)C2 ZINC000091291988 180123857 /nfs/dbraw/zinc/12/38/57/180123857.db2.gz JYMRIZRGLOQXEV-HNNXBMFYSA-N 2 1 262.422 2.140 10 0 CEAEMP CCCC1(C[N@H+]2CCC[C@@H](N(C)C)C2)CC[NH2+]CC1 ZINC000091395115 180146632 /nfs/dbraw/zinc/14/66/32/180146632.db2.gz AXZBCQBGTQYCRT-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CCCC1(CN2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000091395115 180146634 /nfs/dbraw/zinc/14/66/34/180146634.db2.gz AXZBCQBGTQYCRT-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1nn(C)c2ccccc12)[NH2+]C)[NH+](C)C ZINC000091570368 180195365 /nfs/dbraw/zinc/19/53/65/180195365.db2.gz FCBCZCKZAFVKGJ-SJORKVTESA-N 2 1 288.439 2.434 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@H](O)c1c[nH+]ccc1N ZINC000091573397 180196709 /nfs/dbraw/zinc/19/67/09/180196709.db2.gz DQNPETYIBCGXRP-ZIAGYGMSSA-N 2 1 251.374 2.208 10 0 CEAEMP CC[C@](C)([C@H]([NH3+])Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609298 180205613 /nfs/dbraw/zinc/20/56/13/180205613.db2.gz OIEWWWQZPLNBCI-HZPDHXFCSA-N 2 1 278.444 2.253 10 0 CEAEMP COc1ccc(C)cc1C[C@@H]([NH3+])C(C)(C)[NH+](C)C ZINC000091528350 180179574 /nfs/dbraw/zinc/17/95/74/180179574.db2.gz HLWZVXJPSHKOJR-CQSZACIVSA-N 2 1 250.386 2.214 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C1(N(C)C)CCCCC1 ZINC000091647432 180215379 /nfs/dbraw/zinc/21/53/79/180215379.db2.gz CSWNFSKTOGKLNK-OAHLLOKOSA-N 2 1 276.428 2.059 10 0 CEAEMP C[NH+](C)C1([C@@H](O)Cc2ccc[nH+]c2N)CCCCCC1 ZINC000091653938 180217319 /nfs/dbraw/zinc/21/73/19/180217319.db2.gz RYMNYZDERIOIPY-AWEZNQCLSA-N 2 1 277.412 2.222 10 0 CEAEMP CCCC[C@H]([NH2+]CCC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722048 180239465 /nfs/dbraw/zinc/23/94/65/180239465.db2.gz YGRULGGKSGPSPA-ILXRZTDVSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCC[C@H]([NH2+]CCC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722048 180239467 /nfs/dbraw/zinc/23/94/67/180239467.db2.gz YGRULGGKSGPSPA-ILXRZTDVSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1c[nH+]ccc1N ZINC000091716779 180231922 /nfs/dbraw/zinc/23/19/22/180231922.db2.gz LICFNPFLXHVVFS-OAHLLOKOSA-N 3 1 278.444 2.306 10 0 CEAEMP C[NH2+][C@H](C1CCC(C)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721421 180237984 /nfs/dbraw/zinc/23/79/84/180237984.db2.gz VWCGSMLFDGDPGE-MTERUZRBSA-N 2 1 266.429 2.264 10 0 CEAEMP C[NH2+][C@H](C1CCC(C)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721421 180237985 /nfs/dbraw/zinc/23/79/85/180237985.db2.gz VWCGSMLFDGDPGE-MTERUZRBSA-N 2 1 266.429 2.264 10 0 CEAEMP CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852379 180272652 /nfs/dbraw/zinc/27/26/52/180272652.db2.gz LCIKAQOERLHGJK-HSBZDZAISA-N 2 1 283.460 2.272 10 0 CEAEMP CCC[N@@H+](Cc1cccc(C(N)=O)c1)C1CCC([NH3+])CC1 ZINC000091852401 180272828 /nfs/dbraw/zinc/27/28/28/180272828.db2.gz ZQUIZURYANVURX-UHFFFAOYSA-N 2 1 289.423 2.267 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000091870029 180276914 /nfs/dbraw/zinc/27/69/14/180276914.db2.gz IOKYXXHRQIWJPW-YMAMQOFZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)C1CCC(C[NH3+])([C@@]2(O)CC[N@H+](C3CC3)C2)CC1 ZINC000091907251 180284040 /nfs/dbraw/zinc/28/40/40/180284040.db2.gz DKIOMUBNCBAOQD-BDVYOWHSSA-N 2 1 280.456 2.377 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000092050594 180311724 /nfs/dbraw/zinc/31/17/24/180311724.db2.gz FQLKIPHEXSATGU-AQFXKWCLSA-N 2 1 298.471 2.412 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000092050594 180311726 /nfs/dbraw/zinc/31/17/26/180311726.db2.gz FQLKIPHEXSATGU-AQFXKWCLSA-N 2 1 298.471 2.412 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc(C)cc2[C@@H](C)[NH3+])C1 ZINC000092051181 180313098 /nfs/dbraw/zinc/31/30/98/180313098.db2.gz RLIOIKHTJPMQBB-ZIAGYGMSSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc(C)cc2[C@@H](C)[NH3+])C1 ZINC000092051181 180313099 /nfs/dbraw/zinc/31/30/99/180313099.db2.gz RLIOIKHTJPMQBB-ZIAGYGMSSA-N 2 1 278.396 2.114 10 0 CEAEMP CCC[NH2+]CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003058 180304750 /nfs/dbraw/zinc/30/47/50/180304750.db2.gz ZIFZGQIYZVPYDM-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CC1CCC([NH2+]CCN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000092004330 180304977 /nfs/dbraw/zinc/30/49/77/180304977.db2.gz YICAKMICIGNCTJ-BACDZXNISA-N 2 1 279.472 2.323 10 0 CEAEMP CCC[NH2+][C@H](C=C(C)C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092128603 180328688 /nfs/dbraw/zinc/32/86/88/180328688.db2.gz KMBRHOGOBDLUDP-KFWWJZLASA-N 2 1 252.402 2.184 10 0 CEAEMP CCC[NH2+][C@H](C=C(C)C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092128603 180328690 /nfs/dbraw/zinc/32/86/90/180328690.db2.gz KMBRHOGOBDLUDP-KFWWJZLASA-N 2 1 252.402 2.184 10 0 CEAEMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)n1-c1ccccc1 ZINC000092128858 180330000 /nfs/dbraw/zinc/33/00/00/180330000.db2.gz LQOQWMNKLRMCFG-OAHLLOKOSA-N 2 1 284.407 2.222 10 0 CEAEMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C)C2)n1-c1ccccc1 ZINC000092128858 180330002 /nfs/dbraw/zinc/33/00/02/180330002.db2.gz LQOQWMNKLRMCFG-OAHLLOKOSA-N 2 1 284.407 2.222 10 0 CEAEMP C[C@H]1C[NH+](CC[NH2+]CCc2cccs2)C[C@@H]1C ZINC000092089536 180321224 /nfs/dbraw/zinc/32/12/24/180321224.db2.gz RRCOOTFPYKKNBN-STQMWFEESA-N 2 1 252.427 2.468 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092089123 180321563 /nfs/dbraw/zinc/32/15/63/180321563.db2.gz OVNXDRGZDLRKSN-OKILXGFUSA-N 2 1 262.397 2.373 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3ccccc3S2)C1 ZINC000092242700 180351529 /nfs/dbraw/zinc/35/15/29/180351529.db2.gz UILYTKXQPMISLR-OCCSQVGLSA-N 2 1 262.422 2.245 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273138 180356515 /nfs/dbraw/zinc/35/65/15/180356515.db2.gz IZSROBPADCLCDZ-OCCSQVGLSA-N 2 1 262.422 2.387 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092273138 180356518 /nfs/dbraw/zinc/35/65/18/180356518.db2.gz IZSROBPADCLCDZ-OCCSQVGLSA-N 2 1 262.422 2.387 10 0 CEAEMP c1ccc2c(c1)SC[C@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000092290784 180357665 /nfs/dbraw/zinc/35/76/65/180357665.db2.gz RWKXIQKRUMBGBC-FRRDWIJNSA-N 2 1 260.406 2.027 10 0 CEAEMP CCNc1ccnc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000092418477 180381116 /nfs/dbraw/zinc/38/11/16/180381116.db2.gz ZKKIEOIXYVTHAL-UHFFFAOYSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1cc[nH+]c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000092418909 180382150 /nfs/dbraw/zinc/38/21/50/180382150.db2.gz AZWXIHDIPKGWPL-UHFFFAOYSA-N 2 1 274.412 2.184 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2c(F)cccc2Cl)CC[N@H+]1C ZINC000107908228 186197226 /nfs/dbraw/zinc/19/72/26/186197226.db2.gz URQKFQYWOIDMII-MFKMUULPSA-N 2 1 285.794 2.115 10 0 CEAEMP C[C@H](c1ccccc1)[C@@H](C[NH3+])N(C)C[C@@H]1CCC[N@H+]1C ZINC000092624473 180418200 /nfs/dbraw/zinc/41/82/00/180418200.db2.gz OAESBRIITGBOGJ-HYVNUMGLSA-N 2 1 275.440 2.143 10 0 CEAEMP CCC[NH2+][C@H]1C(=O)Nc2cc(-n3cc[nH+]c3C)ccc21 ZINC000109572861 186263445 /nfs/dbraw/zinc/26/34/45/186263445.db2.gz CNVARMNZWVEVKO-CQSZACIVSA-N 2 1 270.336 2.174 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000109604101 186267783 /nfs/dbraw/zinc/26/77/83/186267783.db2.gz JWYOHMLIAVYHMZ-HNNXBMFYSA-N 2 1 276.380 2.063 10 0 CEAEMP C[C@H]([NH3+])C1CC[NH+](Cc2nnc(-c3cccs3)o2)CC1 ZINC000110650130 186310349 /nfs/dbraw/zinc/31/03/49/186310349.db2.gz IUBLEVYXMUEMHR-JTQLQIEISA-N 2 1 292.408 2.357 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CC2CCCC2)O1 ZINC000110844724 186329118 /nfs/dbraw/zinc/32/91/18/186329118.db2.gz MJCWIHCQFDKCKT-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705203 186314260 /nfs/dbraw/zinc/31/42/60/186314260.db2.gz YQDXANILDQAXLV-SWLSCSKDSA-N 2 1 279.403 2.240 10 0 CEAEMP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110704824 186314416 /nfs/dbraw/zinc/31/44/16/186314416.db2.gz FSUOXBWSMGEOLH-OCCSQVGLSA-N 2 1 281.469 2.471 10 0 CEAEMP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110711882 186315561 /nfs/dbraw/zinc/31/55/61/186315561.db2.gz VEFYOWMIGCXNSZ-BFHYXJOUSA-N 2 1 291.439 2.429 10 0 CEAEMP CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716302 186315765 /nfs/dbraw/zinc/31/57/65/186315765.db2.gz KPPMPLTZOGSVQU-JKSUJKDBSA-N 2 1 275.440 2.491 10 0 CEAEMP CCC[NH2+][C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C ZINC000111164248 186363461 /nfs/dbraw/zinc/36/34/61/186363461.db2.gz LBDWIHRLCRCGKY-ZFWWWQNUSA-N 2 1 254.418 2.123 10 0 CEAEMP C[N@@H+](CC[C@@H]([NH3+])c1ccccc1)C[C@@H]1CCCOC1 ZINC000111172177 186365069 /nfs/dbraw/zinc/36/50/69/186365069.db2.gz VPEYLLDJACROOV-GOEBONIOSA-N 2 1 262.397 2.435 10 0 CEAEMP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111320636 186397129 /nfs/dbraw/zinc/39/71/29/186397129.db2.gz VSCGDWMNUBTHMC-CVEARBPZSA-N 2 1 262.397 2.181 10 0 CEAEMP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111320636 186397130 /nfs/dbraw/zinc/39/71/30/186397130.db2.gz VSCGDWMNUBTHMC-CVEARBPZSA-N 2 1 262.397 2.181 10 0 CEAEMP CC(C)C[NH2+]C[C@]1(C[NH+]2CCSCC2)CCCOC1 ZINC000111324527 186398647 /nfs/dbraw/zinc/39/86/47/186398647.db2.gz MNTJFDTTYCNIPX-HNNXBMFYSA-N 2 1 286.485 2.078 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](CC)[C@@H](C)COC)CCCOC1 ZINC000111326372 186398978 /nfs/dbraw/zinc/39/89/78/186398978.db2.gz DUHIWNLJJYJAFX-HOTGVXAUSA-N 2 1 286.460 2.140 10 0 CEAEMP CO[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630363571 351713390 /nfs/dbraw/zinc/71/33/90/351713390.db2.gz BRPRCWUSDYMSML-AVGNSLFASA-N 2 1 276.371 2.250 10 0 CEAEMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630363571 351713391 /nfs/dbraw/zinc/71/33/91/351713391.db2.gz BRPRCWUSDYMSML-AVGNSLFASA-N 2 1 276.371 2.250 10 0 CEAEMP COc1cccc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000133526062 366232830 /nfs/dbraw/zinc/23/28/30/366232830.db2.gz KIJGKXHYORIQLE-RDJZCZTQSA-N 2 1 291.439 2.030 10 0 CEAEMP CCC[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1CC)[NH+](C)C ZINC000162135197 367140140 /nfs/dbraw/zinc/14/01/40/367140140.db2.gz UJRKSRLAVWTOGK-GJZGRUSLSA-N 2 1 283.460 2.097 10 0 CEAEMP CCC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000161738564 367109347 /nfs/dbraw/zinc/10/93/47/367109347.db2.gz RZZXATWOLXFRFF-LSDHHAIUSA-N 2 1 297.487 2.343 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000631841226 367582635 /nfs/dbraw/zinc/58/26/35/367582635.db2.gz ZVQNJLZWQDDZII-WFASDCNBSA-N 2 1 255.365 2.261 10 0 CEAEMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000231455750 370479747 /nfs/dbraw/zinc/47/97/47/370479747.db2.gz FPBGSPNQMDLFDB-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231455314 370479839 /nfs/dbraw/zinc/47/98/39/370479839.db2.gz MBADGDLLCNOYGU-OAHLLOKOSA-N 2 1 276.380 2.047 10 0 CEAEMP C[N@@H+](CCN1CC[NH+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248577930 371215934 /nfs/dbraw/zinc/21/59/34/371215934.db2.gz URLQPFWEXIUIKQ-KRWDZBQOSA-N 2 1 291.414 2.038 10 0 CEAEMP C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@H]1CC[NH+](C)C1 ZINC000250585025 371386690 /nfs/dbraw/zinc/38/66/90/371386690.db2.gz GLQRUQGGQNHZRI-DZGCQCFKSA-N 2 1 288.391 2.350 10 0 CEAEMP C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@H]1CC[NH+](C)C1 ZINC000250585025 371386692 /nfs/dbraw/zinc/38/66/92/371386692.db2.gz GLQRUQGGQNHZRI-DZGCQCFKSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@@H](O)c1cc2ccccc2o1)C[C@H]1CC[N@H+](C)C1 ZINC000250585025 371386694 /nfs/dbraw/zinc/38/66/94/371386694.db2.gz GLQRUQGGQNHZRI-DZGCQCFKSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@@H](O)c1cc2ccccc2o1)C[C@H]1CC[N@@H+](C)C1 ZINC000250585025 371386696 /nfs/dbraw/zinc/38/66/96/371386696.db2.gz GLQRUQGGQNHZRI-DZGCQCFKSA-N 2 1 288.391 2.350 10 0 CEAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261579382 371659428 /nfs/dbraw/zinc/65/94/28/371659428.db2.gz DTURRIKELYQHGP-MZGVZZPPSA-N 2 1 260.381 2.425 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)C1 ZINC000261947696 371781409 /nfs/dbraw/zinc/78/14/09/371781409.db2.gz NMNJBSYIEAIIOX-HMDCTGQHSA-N 2 1 280.456 2.248 10 0 CEAEMP C(CC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261987321 371789475 /nfs/dbraw/zinc/78/94/75/371789475.db2.gz SIGNFRJPWBWRNE-XHSDSOJGSA-N 2 1 266.429 2.313 10 0 CEAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C ZINC000262003787 371796370 /nfs/dbraw/zinc/79/63/70/371796370.db2.gz UKEYCQTYCHSDNV-SOUVJXGZSA-N 2 1 260.381 2.173 10 0 CEAEMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262083957 371821367 /nfs/dbraw/zinc/82/13/67/371821367.db2.gz FRWBSQMJWAAHFE-JYJNAYRXSA-N 2 1 274.408 2.351 10 0 CEAEMP FC(F)(F)c1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000643456596 373125827 /nfs/dbraw/zinc/12/58/27/373125827.db2.gz LYSKBHDZBFGTCK-LBPRGKRZSA-N 2 1 258.287 2.199 10 0 CEAEMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000384304222 375210472 /nfs/dbraw/zinc/21/04/72/375210472.db2.gz ZYRHTKVAIXIKER-YNEHKIRRSA-N 2 1 280.441 2.247 10 0 CEAEMP CC[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280640143 375270159 /nfs/dbraw/zinc/27/01/59/375270159.db2.gz ZKRQDYUVAICEAQ-KSZLIROESA-N 2 1 288.435 2.211 10 0 CEAEMP CC[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280640143 375270162 /nfs/dbraw/zinc/27/01/62/375270162.db2.gz ZKRQDYUVAICEAQ-KSZLIROESA-N 2 1 288.435 2.211 10 0 CEAEMP CC[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280640143 375270165 /nfs/dbraw/zinc/27/01/65/375270165.db2.gz ZKRQDYUVAICEAQ-KSZLIROESA-N 2 1 288.435 2.211 10 0 CEAEMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C1CCOCC1 ZINC000188266955 249338217 /nfs/dbraw/zinc/33/82/17/249338217.db2.gz LVTMXVYUGQXLPY-SJORKVTESA-N 2 1 298.471 2.138 10 0 CEAEMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C1CCOCC1 ZINC000188266955 249338220 /nfs/dbraw/zinc/33/82/20/249338220.db2.gz LVTMXVYUGQXLPY-SJORKVTESA-N 2 1 298.471 2.138 10 0 CEAEMP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000094458673 184804777 /nfs/dbraw/zinc/80/47/77/184804777.db2.gz QXJYGWHKPTVKRK-IAGOWNOFSA-N 2 1 273.424 2.083 10 0 CEAEMP CC(C)(C)c1nc(N2CC[N@H+]3CCC[C@@H]3C2)sc1C[NH3+] ZINC000094467958 184807741 /nfs/dbraw/zinc/80/77/41/184807741.db2.gz HSHVEJRQRCNUOF-LLVKDONJSA-N 2 1 294.468 2.184 10 0 CEAEMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261889570 289006365 /nfs/dbraw/zinc/00/63/65/289006365.db2.gz XIBDECDQWRTPGX-GMTAPVOTSA-N 2 1 250.308 2.259 10 0 CEAEMP CC[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000120484731 394779740 /nfs/dbraw/zinc/77/97/40/394779740.db2.gz LBBPPFBSUQMDCR-UONOGXRCSA-N 2 1 256.434 2.057 10 0 CEAEMP [NH3+]CCCN(CCC[NH3+])c1cc[nH+]c2cc(Cl)ccc21 ZINC000584614811 395665505 /nfs/dbraw/zinc/66/55/05/395665505.db2.gz FGCZHCZXJJUMDA-UHFFFAOYSA-N 3 1 292.814 2.392 10 0 CEAEMP CCC[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC1 ZINC000399004327 400563044 /nfs/dbraw/zinc/56/30/44/400563044.db2.gz VZJACISKZRSHSP-HNNXBMFYSA-N 2 1 254.418 2.002 10 0 CEAEMP C[C@@H]([NH3+])C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000159900878 162319724 /nfs/dbraw/zinc/31/97/24/162319724.db2.gz PORAWTJLIPHOBM-SECBINFHSA-N 2 1 284.201 2.408 10 0 CEAEMP Cc1[nH+]ccn1CCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000162014253 162331466 /nfs/dbraw/zinc/33/14/66/162331466.db2.gz KYGSDIHMBUEUIG-STQMWFEESA-N 2 1 251.374 2.081 10 0 CEAEMP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037209992 173031575 /nfs/dbraw/zinc/03/15/75/173031575.db2.gz QZVWEXSRUGVTOC-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037209992 173031576 /nfs/dbraw/zinc/03/15/76/173031576.db2.gz QZVWEXSRUGVTOC-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037209992 173031577 /nfs/dbraw/zinc/03/15/77/173031577.db2.gz QZVWEXSRUGVTOC-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH2+]C[C@@H]2CCOC2)([NH+](C)C)C1 ZINC000040668422 174367723 /nfs/dbraw/zinc/36/77/23/174367723.db2.gz PXMPOCPSOKPNNL-ILXRZTDVSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[N@@H+](Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747457 174392710 /nfs/dbraw/zinc/39/27/10/174392710.db2.gz MPGYWLATVJIICH-YIONKMFJSA-N 2 1 260.381 2.497 10 0 CEAEMP CC(C)[NH2+]C[C@@H](O)C[N@H+](Cc1cccs1)C(C)C ZINC000042518049 174769391 /nfs/dbraw/zinc/76/93/91/174769391.db2.gz UQXYICFSYPZJEI-CYBMUJFWSA-N 2 1 270.442 2.317 10 0 CEAEMP CC(C)[NH2+]C[C@@H](O)C[N@@H+](Cc1cccs1)C(C)C ZINC000042518049 174769392 /nfs/dbraw/zinc/76/93/92/174769392.db2.gz UQXYICFSYPZJEI-CYBMUJFWSA-N 2 1 270.442 2.317 10 0 CEAEMP CC[N@@H+](CCOC)Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043968585 175129747 /nfs/dbraw/zinc/12/97/47/175129747.db2.gz KCPDRMDUEDGXCG-CYBMUJFWSA-N 2 1 280.412 2.444 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970733 175131754 /nfs/dbraw/zinc/13/17/54/175131754.db2.gz UEWOEOYVUKZEAR-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970737 175132135 /nfs/dbraw/zinc/13/21/35/175132135.db2.gz UEWOEOYVUKZEAR-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000044805812 175256717 /nfs/dbraw/zinc/25/67/17/175256717.db2.gz KHTHZCDTHPUUSW-CQSZACIVSA-N 2 1 283.460 2.132 10 0 CEAEMP C[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073293 175302777 /nfs/dbraw/zinc/30/27/77/175302777.db2.gz MBYNEDQKLHTXTI-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045173269 175322413 /nfs/dbraw/zinc/32/24/13/175322413.db2.gz JWJUJTHECRLARI-UONOGXRCSA-N 2 1 264.417 2.029 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045173269 175322414 /nfs/dbraw/zinc/32/24/14/175322414.db2.gz JWJUJTHECRLARI-UONOGXRCSA-N 2 1 264.417 2.029 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281674 175353015 /nfs/dbraw/zinc/35/30/15/175353015.db2.gz RIJCPPMSUWJFQP-MRXNPFEDSA-N 2 1 283.460 2.132 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000045281674 175353016 /nfs/dbraw/zinc/35/30/16/175353016.db2.gz RIJCPPMSUWJFQP-MRXNPFEDSA-N 2 1 283.460 2.132 10 0 CEAEMP CCCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368398 175363535 /nfs/dbraw/zinc/36/35/35/175363535.db2.gz SFAAZFGKKVAQQP-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368398 175363536 /nfs/dbraw/zinc/36/35/36/175363536.db2.gz SFAAZFGKKVAQQP-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[NH+](CC)CC)[NH2+]C ZINC000045375834 175366338 /nfs/dbraw/zinc/36/63/38/175366338.db2.gz MLAMOOVQPCPQMP-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](CC)C(C)C)[NH2+]C ZINC000045383816 175370759 /nfs/dbraw/zinc/37/07/59/175370759.db2.gz GNFMEQKWYBPUKY-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](CC)C(C)C)[NH2+]C ZINC000045383816 175370761 /nfs/dbraw/zinc/37/07/61/175370761.db2.gz GNFMEQKWYBPUKY-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383400 175370913 /nfs/dbraw/zinc/37/09/13/175370913.db2.gz IATUUTVMVADTEI-HNNXBMFYSA-N 2 1 270.417 2.181 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383400 175370915 /nfs/dbraw/zinc/37/09/15/175370915.db2.gz IATUUTVMVADTEI-HNNXBMFYSA-N 2 1 270.417 2.181 10 0 CEAEMP CCC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045386069 175372360 /nfs/dbraw/zinc/37/23/60/175372360.db2.gz XVHSZXXDALHBTO-HNNXBMFYSA-N 2 1 271.449 2.129 10 0 CEAEMP CCC[N@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045386887 175372702 /nfs/dbraw/zinc/37/27/02/175372702.db2.gz YXWWHBPIJLJUAU-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045386887 175372703 /nfs/dbraw/zinc/37/27/03/175372703.db2.gz YXWWHBPIJLJUAU-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@H+](CCC[C@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387579 175372984 /nfs/dbraw/zinc/37/29/84/175372984.db2.gz PWLLFIRDORJVKM-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387579 175372985 /nfs/dbraw/zinc/37/29/85/175372985.db2.gz PWLLFIRDORJVKM-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](C)C(CC)CC ZINC000045391562 175374753 /nfs/dbraw/zinc/37/47/53/175374753.db2.gz WJDPTXGBMDAXIN-CQSZACIVSA-N 2 1 258.406 2.168 10 0 CEAEMP CC[C@@H](C)C[C@@H](CC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148930 176044363 /nfs/dbraw/zinc/04/43/63/176044363.db2.gz YCRUNDUMMIARFS-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP C[N@H+](Cc1ccc(N)c2cccnc12)C[C@@H]1CC[NH+](C)C1 ZINC000071187807 176061480 /nfs/dbraw/zinc/06/14/80/176061480.db2.gz AXVPOPZFUSXDGQ-CYBMUJFWSA-N 2 1 284.407 2.201 10 0 CEAEMP C[NH+](Cc1ccc(N)c2cccnc12)C[C@@H]1CC[N@H+](C)C1 ZINC000071187807 176061481 /nfs/dbraw/zinc/06/14/81/176061481.db2.gz AXVPOPZFUSXDGQ-CYBMUJFWSA-N 2 1 284.407 2.201 10 0 CEAEMP C[NH+](Cc1ccc(N)c2cccnc12)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187807 176061483 /nfs/dbraw/zinc/06/14/83/176061483.db2.gz AXVPOPZFUSXDGQ-CYBMUJFWSA-N 2 1 284.407 2.201 10 0 CEAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188596 176063356 /nfs/dbraw/zinc/06/33/56/176063356.db2.gz MGXOSEADHSRVPY-BZUAXINKSA-N 2 1 269.477 2.414 10 0 CEAEMP COc1ccc([C@H](C)[NH3+])cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188924 176063417 /nfs/dbraw/zinc/06/34/17/176063417.db2.gz JOERYUMXHIUQAP-UONOGXRCSA-N 2 1 291.439 2.098 10 0 CEAEMP Cc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191948 176071446 /nfs/dbraw/zinc/07/14/46/176071446.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 2 1 293.455 2.470 10 0 CEAEMP CC[NH2+]C[C@H](c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192097 176073395 /nfs/dbraw/zinc/07/33/95/176073395.db2.gz GIPKEJGBDNNJDM-NVXWUHKLSA-N 2 1 275.440 2.221 10 0 CEAEMP CC[NH2+][C@H]1CCN(CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000071198161 176077077 /nfs/dbraw/zinc/07/70/77/176077077.db2.gz FIJNFAPVUKNDQC-KRWDZBQOSA-N 2 1 275.440 2.192 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+]1CC[C@H](N(C)C)C1 ZINC000071289972 176110305 /nfs/dbraw/zinc/11/03/05/176110305.db2.gz HTULHSPQMVXUJD-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]CCCCCCN1CC[C@H]([NH+](C)C)C1 ZINC000071289972 176110307 /nfs/dbraw/zinc/11/03/07/176110307.db2.gz HTULHSPQMVXUJD-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CCn2cc[nH+]c2C)[C@@H](CC)C[NH2+]1 ZINC000071354141 176136189 /nfs/dbraw/zinc/13/61/89/176136189.db2.gz GEVMTWIHMKLMBJ-CWRNSKLLSA-N 2 1 278.444 2.290 10 0 CEAEMP CN1CCC([N@@H+](C)CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401618 176154103 /nfs/dbraw/zinc/15/41/03/176154103.db2.gz DVQTUAMZLLJQNS-KRWDZBQOSA-N 2 1 275.440 2.493 10 0 CEAEMP C[N@H+](CCC[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000071401618 176154104 /nfs/dbraw/zinc/15/41/04/176154104.db2.gz DVQTUAMZLLJQNS-KRWDZBQOSA-N 3 1 275.440 2.493 10 0 CEAEMP C[N@@H+](CCC[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000071401618 176154106 /nfs/dbraw/zinc/15/41/06/176154106.db2.gz DVQTUAMZLLJQNS-KRWDZBQOSA-N 3 1 275.440 2.493 10 0 CEAEMP CCOc1ccc(CCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071589142 176217439 /nfs/dbraw/zinc/21/74/39/176217439.db2.gz RIWGWCGZSXZQMD-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCOc1ccc(CCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071589142 176217440 /nfs/dbraw/zinc/21/74/40/176217440.db2.gz RIWGWCGZSXZQMD-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCc1cc(N(C)CC[C@@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000133623937 419430440 /nfs/dbraw/zinc/43/04/40/419430440.db2.gz DGRDUKMVZTZGGI-CYBMUJFWSA-N 2 1 250.390 2.157 10 0 CEAEMP Brc1c[nH+]ccc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335304241 275377763 /nfs/dbraw/zinc/37/77/63/275377763.db2.gz ZSLXNYMHLHCLFS-UHFFFAOYSA-N 2 1 296.212 2.424 10 0 CEAEMP CC[NH+](CC)CCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000191469075 276324298 /nfs/dbraw/zinc/32/42/98/276324298.db2.gz FMUXTFZXSRJUNX-UHFFFAOYSA-N 2 1 278.444 2.331 10 0 CEAEMP C1C[C@@H]([NH2+]C2CCCCC2)[C@H]([C@H]2COCC[NH2+]2)C1 ZINC000261918329 276852517 /nfs/dbraw/zinc/85/25/17/276852517.db2.gz JXXHLSPEDWPDEU-RBSFLKMASA-N 2 1 252.402 2.066 10 0 CEAEMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000133645640 280002800 /nfs/dbraw/zinc/00/28/00/280002800.db2.gz DRDPBMFBBOXOSM-OFLPRAFFSA-N 2 1 295.471 2.144 10 0 CEAEMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000133645640 280002803 /nfs/dbraw/zinc/00/28/03/280002803.db2.gz DRDPBMFBBOXOSM-OFLPRAFFSA-N 2 1 295.471 2.144 10 0 CEAEMP C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)[NH2+]C1CCOCC1 ZINC000062767719 518389177 /nfs/dbraw/zinc/38/91/77/518389177.db2.gz LZMPPGQORBDFNA-GDBMZVCRSA-N 2 1 266.429 2.410 10 0 CEAEMP C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)[NH2+]C1CCOCC1 ZINC000062767719 518389186 /nfs/dbraw/zinc/38/91/86/518389186.db2.gz LZMPPGQORBDFNA-GDBMZVCRSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)CN1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083736 519726091 /nfs/dbraw/zinc/72/60/91/519726091.db2.gz OWGMMFXXHYNNGQ-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC1CC[NH+]([C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000068638335 519859476 /nfs/dbraw/zinc/85/94/76/519859476.db2.gz STOVSMDHMIDAEV-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@H+]1C ZINC000054628966 519911099 /nfs/dbraw/zinc/91/10/99/519911099.db2.gz LTZCIUZRFYRFSF-UYTSQGDYSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]CCCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540312 519911962 /nfs/dbraw/zinc/91/19/62/519911962.db2.gz TUIXLPCCYUJSEA-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+]CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000052484153 519919299 /nfs/dbraw/zinc/91/92/99/519919299.db2.gz MWRRRXUJTXHWLF-UHFFFAOYSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504446 519961487 /nfs/dbraw/zinc/96/14/87/519961487.db2.gz MZVAYSZDRYTUNR-CYBMUJFWSA-N 2 1 281.448 2.144 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000052543544 520016834 /nfs/dbraw/zinc/01/68/34/520016834.db2.gz SUVPBVPLEOLTSY-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000052543544 520016838 /nfs/dbraw/zinc/01/68/38/520016838.db2.gz SUVPBVPLEOLTSY-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CCC[NH2+][C@H](C)c1sc(N2CC[NH+](C)CC2)nc1C ZINC000054900282 520066915 /nfs/dbraw/zinc/06/69/15/520066915.db2.gz YYBWGGCDKUPRFM-LLVKDONJSA-N 2 1 282.457 2.264 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000062740787 520307205 /nfs/dbraw/zinc/30/72/05/520307205.db2.gz MEYUAZRFSALBAA-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1ccoc1C[NH3+] ZINC000052573344 521562151 /nfs/dbraw/zinc/56/21/51/521562151.db2.gz FDTPPZVDLYGGLY-UHFFFAOYSA-N 2 1 254.374 2.375 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)CC1(C[NH2+]C)CCOCC1 ZINC000052197810 521559664 /nfs/dbraw/zinc/55/96/64/521559664.db2.gz DURUZGLDLWJAHB-UHFFFAOYSA-N 2 1 286.460 2.140 10 0 CEAEMP C(C[C@H]1CCCC[NH2+]1)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000050953911 518396132 /nfs/dbraw/zinc/39/61/32/518396132.db2.gz IMVDWPOGXDALAP-ILXRZTDVSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)[NH2+]CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702272 519721721 /nfs/dbraw/zinc/72/17/21/519721721.db2.gz KJJZXQXUSJSVGC-MRXNPFEDSA-N 2 1 262.397 2.276 10 0 CEAEMP CC(C)[NH2+]CC[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515494 519721995 /nfs/dbraw/zinc/72/19/95/519721995.db2.gz QJYYIKUUPKCCQC-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)C1CCN(C)CC1 ZINC000052419898 519743131 /nfs/dbraw/zinc/74/31/31/519743131.db2.gz UMZTYOUJQVCMLH-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419898 519743132 /nfs/dbraw/zinc/74/31/32/519743132.db2.gz UMZTYOUJQVCMLH-UHFFFAOYSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419898 519743134 /nfs/dbraw/zinc/74/31/34/519743134.db2.gz UMZTYOUJQVCMLH-UHFFFAOYSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000052379292 519747396 /nfs/dbraw/zinc/74/73/96/519747396.db2.gz YTZRQCYYXVSJBO-UHFFFAOYSA-N 2 1 275.440 2.180 10 0 CEAEMP CCC1CCC([N@@H+](C)CC2(O)CC[NH2+]CC2)CC1 ZINC000051016094 519853369 /nfs/dbraw/zinc/85/33/69/519853369.db2.gz IJOVPTKRXCITGT-UHFFFAOYSA-N 2 1 254.418 2.002 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1nccn1C ZINC000054602461 519907874 /nfs/dbraw/zinc/90/78/74/519907874.db2.gz NEJLHDIYKZIZOO-MQVJKMGUSA-N 2 1 290.455 2.348 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](CC)C[C@@H]2CCCO2)CCOCC1 ZINC000052182538 519909918 /nfs/dbraw/zinc/90/99/18/519909918.db2.gz WTMWGLWVPNTMEK-INIZCTEOSA-N 2 1 298.471 2.284 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCCO1 ZINC000054601328 519910067 /nfs/dbraw/zinc/91/00/67/519910067.db2.gz MJGSKQGPGYFIAS-DKUMPPAJSA-N 2 1 252.402 2.160 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)n1 ZINC000054628376 519910490 /nfs/dbraw/zinc/91/04/90/519910490.db2.gz KNHVUWPXFAAVHC-MQVJKMGUSA-N 2 1 259.397 2.495 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)n1 ZINC000054628376 519910492 /nfs/dbraw/zinc/91/04/92/519910492.db2.gz KNHVUWPXFAAVHC-MQVJKMGUSA-N 2 1 259.397 2.495 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH+](CC)CC1 ZINC000054629498 519910608 /nfs/dbraw/zinc/91/06/08/519910608.db2.gz UTUUUMMZPJXELW-ALOPSCKCSA-N 3 1 279.472 2.323 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCO1 ZINC000054629394 519910721 /nfs/dbraw/zinc/91/07/21/519910721.db2.gz JDLLLYYJFUKTRY-DKUMPPAJSA-N 2 1 252.402 2.160 10 0 CEAEMP CC[NH2+]CCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416921 519919174 /nfs/dbraw/zinc/91/91/74/519919174.db2.gz IOQJTVPWHLMLBK-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346222 519953148 /nfs/dbraw/zinc/95/31/48/519953148.db2.gz QKCBNIMMOBVLSW-JKSUJKDBSA-N 2 1 280.387 2.415 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[NH+]1CCN(C2CC2)CC1 ZINC000052371419 519955777 /nfs/dbraw/zinc/95/57/77/519955777.db2.gz RBVHQMABMYNCLM-UHFFFAOYSA-N 2 1 287.451 2.466 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346225 519977414 /nfs/dbraw/zinc/97/74/14/519977414.db2.gz QKCBNIMMOBVLSW-CVEARBPZSA-N 2 1 280.387 2.415 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CC)CCOC)oc1C ZINC000052542669 519988196 /nfs/dbraw/zinc/98/81/96/519988196.db2.gz QRRDWMLEHLJPQE-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000052380764 519994970 /nfs/dbraw/zinc/99/49/70/519994970.db2.gz ZQLLTDNCZOHSMY-OKILXGFUSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CCCOC)CCOC)cc1 ZINC000052543296 519996169 /nfs/dbraw/zinc/99/61/69/519996169.db2.gz MFMFXMJSQLJTBP-UHFFFAOYSA-N 2 1 294.439 2.281 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H]2CN(C)C)c1 ZINC000061654446 520004082 /nfs/dbraw/zinc/00/40/82/520004082.db2.gz GJUSASRDXZQDQM-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654446 520004091 /nfs/dbraw/zinc/00/40/91/520004091.db2.gz GJUSASRDXZQDQM-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647883 520041066 /nfs/dbraw/zinc/04/10/66/520041066.db2.gz DOKDWWPILGQBQB-LZWOXQAQSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647883 520041070 /nfs/dbraw/zinc/04/10/70/520041070.db2.gz DOKDWWPILGQBQB-LZWOXQAQSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](CC)CCO ZINC000054560039 520122908 /nfs/dbraw/zinc/12/29/08/520122908.db2.gz FRKYYOAGLCQNMX-ARFHVFGLSA-N 2 1 270.461 2.351 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000068628656 520145767 /nfs/dbraw/zinc/14/57/67/520145767.db2.gz ZHWWQTVYXLZXTR-HOCLYGCPSA-N 2 1 285.476 2.233 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000062739654 520308962 /nfs/dbraw/zinc/30/89/62/520308962.db2.gz UIPWGIXWYGFUNZ-ZDUSSCGKSA-N 2 1 256.777 2.136 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000062739654 520308972 /nfs/dbraw/zinc/30/89/72/520308972.db2.gz UIPWGIXWYGFUNZ-ZDUSSCGKSA-N 2 1 256.777 2.136 10 0 CEAEMP CCCOc1cccc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1 ZINC000052920921 520464180 /nfs/dbraw/zinc/46/41/80/520464180.db2.gz IOIMEZSYPANFFO-QGZVFWFLSA-N 2 1 291.439 2.113 10 0 CEAEMP CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069237275 520964463 /nfs/dbraw/zinc/96/44/63/520964463.db2.gz JHMGIJFVGAGHJG-LBPRGKRZSA-N 2 1 275.396 2.204 10 0 CEAEMP CC[N@@H+](CCCOc1ccccc1)C[C@H](C)C[NH3+] ZINC000061815652 521040445 /nfs/dbraw/zinc/04/04/45/521040445.db2.gz LUNFIOKIFKSZAB-CQSZACIVSA-N 2 1 250.386 2.372 10 0 CEAEMP CCn1cc(C[N@@H+](CC)Cc2ccccc2C[NH3+])cn1 ZINC000050539220 521442539 /nfs/dbraw/zinc/44/25/39/521442539.db2.gz MUVLUVRATQZMHI-UHFFFAOYSA-N 2 1 272.396 2.384 10 0 CEAEMP CCC[N@@H+](CCCCC[NH2+]C(C)C)CCN(C)C ZINC000052544246 521651911 /nfs/dbraw/zinc/65/19/11/521651911.db2.gz LYJHLSWUTGDNTJ-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP CCN1CC[NH+](Cc2c3ccccc3oc2C[NH2+]C)CC1 ZINC000052422338 521688158 /nfs/dbraw/zinc/68/81/58/521688158.db2.gz FXMPWHMKKTWKIT-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP CC[NH+]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054994812 521700091 /nfs/dbraw/zinc/70/00/91/521700091.db2.gz HEJHRLPQSPVJCB-UHFFFAOYSA-N 2 1 282.457 2.041 10 0 CEAEMP CC[C@H](CC[NH3+])[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000050872140 522127566 /nfs/dbraw/zinc/12/75/66/522127566.db2.gz MDSPMJQYTPMYDC-OAHLLOKOSA-N 2 1 297.393 2.210 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@H+]2CCCSCC2)c1 ZINC000052371019 522128207 /nfs/dbraw/zinc/12/82/07/522128207.db2.gz ARBVDENVBITIGK-UHFFFAOYSA-N 2 1 250.411 2.345 10 0 CEAEMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@](C)(CO)c1ccccc1 ZINC000063122136 522659373 /nfs/dbraw/zinc/65/93/73/522659373.db2.gz PNCJYSCZTYVALB-SFHVURJKSA-N 2 1 290.451 2.210 10 0 CEAEMP COCCC[N@@H+](CCOC)Cc1occc1C[NH2+]C(C)C ZINC000052543232 523258857 /nfs/dbraw/zinc/25/88/57/523258857.db2.gz IJLVASRVPXJSAP-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP COCC[N@@H+](C)Cc1occc1C[NH2+]CC(C)C ZINC000052572803 523623214 /nfs/dbraw/zinc/62/32/14/523623214.db2.gz BJDBFOHGTIXOGO-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000052762564 523799108 /nfs/dbraw/zinc/79/91/08/523799108.db2.gz URXZNAIVJMWESN-LSDHHAIUSA-N 2 1 254.418 2.098 10 0 CEAEMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762564 523799112 /nfs/dbraw/zinc/79/91/12/523799112.db2.gz URXZNAIVJMWESN-LSDHHAIUSA-N 2 1 254.418 2.098 10 0 CEAEMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H]1CCCO ZINC000052762564 523799115 /nfs/dbraw/zinc/79/91/15/523799115.db2.gz URXZNAIVJMWESN-LSDHHAIUSA-N 2 1 254.418 2.098 10 0 CEAEMP CN1CC[NH+](Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052379290 523911258 /nfs/dbraw/zinc/91/12/58/523911258.db2.gz ZTDLMOBBWVKVHH-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP C[C@H](C[NH2+]C1CC1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417301 524479947 /nfs/dbraw/zinc/47/99/47/524479947.db2.gz QMJJXTYQUVYKKK-OAHLLOKOSA-N 2 1 273.424 2.197 10 0 CEAEMP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125542 524684288 /nfs/dbraw/zinc/68/42/88/524684288.db2.gz IYYGACLSQZHPJF-UGUYLWEFSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757284 524853745 /nfs/dbraw/zinc/85/37/45/524853745.db2.gz UZJRXKSJVHIYIG-NUEKZKHPSA-N 2 1 262.397 2.312 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757284 524853753 /nfs/dbraw/zinc/85/37/53/524853753.db2.gz UZJRXKSJVHIYIG-NUEKZKHPSA-N 2 1 262.397 2.312 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675049 525105811 /nfs/dbraw/zinc/10/58/11/525105811.db2.gz FIQMQVZDFOQBSS-OLZOCXBDSA-N 2 1 276.380 2.235 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675049 525105818 /nfs/dbraw/zinc/10/58/18/525105818.db2.gz FIQMQVZDFOQBSS-OLZOCXBDSA-N 2 1 276.380 2.235 10 0 CEAEMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000049554276 525796150 /nfs/dbraw/zinc/79/61/50/525796150.db2.gz LRPBEGAIAXCKQK-LLVKDONJSA-N 2 1 276.384 2.408 10 0 CEAEMP C[C@H](c1cccs1)[N@H+](C)Cc1cc(C[NH3+])no1 ZINC000052506781 526152963 /nfs/dbraw/zinc/15/29/63/526152963.db2.gz HLQBUHZNCIOYAQ-SECBINFHSA-N 2 1 251.355 2.388 10 0 CEAEMP C[C@H](c1cccs1)[N@@H+](C)Cc1cc(C[NH3+])no1 ZINC000052506781 526152973 /nfs/dbraw/zinc/15/29/73/526152973.db2.gz HLQBUHZNCIOYAQ-SECBINFHSA-N 2 1 251.355 2.388 10 0 CEAEMP c1cc(C[N@H+]2CCCSCC2)c(C[NH2+]C2CC2)o1 ZINC000052371060 526423258 /nfs/dbraw/zinc/42/32/58/526423258.db2.gz XGSJHMWGAKDCJI-UHFFFAOYSA-N 2 1 266.410 2.471 10 0 CEAEMP Cn1cc(C[N@@H+](CCC[NH3+])C2CCCCCC2)cn1 ZINC000050539176 527196101 /nfs/dbraw/zinc/19/61/01/527196101.db2.gz NSTLADOSMIKIQU-UHFFFAOYSA-N 2 1 264.417 2.294 10 0 CEAEMP [NH3+]Cc1ncccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000061656607 527265022 /nfs/dbraw/zinc/26/50/22/527265022.db2.gz VEYUGZIEDRHDLU-MRXNPFEDSA-N 2 1 268.364 2.272 10 0 CEAEMP Cc1[nH+]ccn1Cc1csc(C[NH2+]C(C)C)n1 ZINC000052576269 527450244 /nfs/dbraw/zinc/45/02/44/527450244.db2.gz RKNJGXDQFCQULO-UHFFFAOYSA-N 2 1 250.371 2.194 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757146210 574510414 /nfs/dbraw/zinc/51/04/14/574510414.db2.gz RGVOEHIUHASSRE-NEPJUHHUSA-N 2 1 252.402 2.412 10 0 CEAEMP CC[C@@H]1C[N@@H+](Cc2cc(C#CC[NH3+])cs2)C[C@H](CC)O1 ZINC000398374524 628525399 /nfs/dbraw/zinc/52/53/99/628525399.db2.gz KAVFLGTWAAPUEA-GASCZTMLSA-N 2 1 292.448 2.448 10 0 CEAEMP CC[C@@H]1C[N@H+](Cc2cc(C#CC[NH3+])cs2)C[C@H](CC)O1 ZINC000398374524 628525402 /nfs/dbraw/zinc/52/54/02/628525402.db2.gz KAVFLGTWAAPUEA-GASCZTMLSA-N 2 1 292.448 2.448 10 0 CEAEMP CCc1cc(N2CCC(CC[NH2+]C)CC2)nc(C)[nH+]1 ZINC000088760664 640010020 /nfs/dbraw/zinc/01/00/20/640010020.db2.gz OITTZMAGYJJZER-UHFFFAOYSA-N 2 1 262.401 2.173 10 0 CEAEMP CC(C)[NH2+]C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000108369242 642283142 /nfs/dbraw/zinc/28/31/42/642283142.db2.gz MWICXKJJCANFBL-KRWDZBQOSA-N 2 1 276.424 2.357 10 0 CEAEMP [NH3+]C1CC[NH+](CCNc2cc[nH+]c3ccccc23)CC1 ZINC000321636166 643344944 /nfs/dbraw/zinc/34/49/44/643344944.db2.gz YUOPWUGIDNMTAE-UHFFFAOYSA-N 3 1 270.380 2.070 10 0 CEAEMP COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082728992 178245455 /nfs/dbraw/zinc/24/54/55/178245455.db2.gz IQMGVJJEDOPDEZ-ZBFHGGJFSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082728992 178245458 /nfs/dbraw/zinc/24/54/58/178245458.db2.gz IQMGVJJEDOPDEZ-ZBFHGGJFSA-N 2 1 260.381 2.269 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000123998441 539179630 /nfs/dbraw/zinc/17/96/30/539179630.db2.gz ZSBQVLORFPSJNK-QGZVFWFLSA-N 2 1 287.451 2.248 10 0 CEAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000142159681 344402544 /nfs/dbraw/zinc/40/25/44/344402544.db2.gz NBXILBVLWXYZML-ZDUSSCGKSA-N 2 1 261.413 2.232 10 0 CEAEMP C[C@H]([NH3+])c1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000142159681 344402546 /nfs/dbraw/zinc/40/25/46/344402546.db2.gz NBXILBVLWXYZML-ZDUSSCGKSA-N 2 1 261.413 2.232 10 0 CEAEMP C[C@@H](Nc1cc[nH+]cc1Br)[C@@H](C)C[NH3+] ZINC000228820694 344563510 /nfs/dbraw/zinc/56/35/10/344563510.db2.gz PLSDORCGEIBZHK-JGVFFNPUSA-N 2 1 258.163 2.239 10 0 CEAEMP C[C@@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000306571316 344714556 /nfs/dbraw/zinc/71/45/56/344714556.db2.gz FXJGVDUICZTVFH-HPFXQQBRSA-N 2 1 287.451 2.332 10 0 CEAEMP C[C@H]1[C@@H](N2CC[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000306886815 344718336 /nfs/dbraw/zinc/71/83/36/344718336.db2.gz SYRMWXVCJJWKNF-RDJZCZTQSA-N 2 1 287.451 2.333 10 0 CEAEMP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000328622632 344755944 /nfs/dbraw/zinc/75/59/44/344755944.db2.gz BKJDGFAUVSXEIU-UKRRQHHQSA-N 2 1 277.412 2.240 10 0 CEAEMP C[N@@H+](Cc1cnn2ccccc12)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328630924 344756651 /nfs/dbraw/zinc/75/66/51/344756651.db2.gz JXCBCFIJXOQGQA-AWEZNQCLSA-N 2 1 295.390 2.225 10 0 CEAEMP C[N@H+](Cc1cnn2ccccc12)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328630924 344756653 /nfs/dbraw/zinc/75/66/53/344756653.db2.gz JXCBCFIJXOQGQA-AWEZNQCLSA-N 2 1 295.390 2.225 10 0 CEAEMP C[C@](CO)(CCC[N@H+]1CCCC(C)(C)C1)[NH2+]C1CC1 ZINC000085212035 178975253 /nfs/dbraw/zinc/97/52/53/178975253.db2.gz XCSRIXRLNRBZTR-MRXNPFEDSA-N 2 1 268.445 2.392 10 0 CEAEMP Cc1nc2c(n1CCC[N@@H+]1CCCC[C@@H]1C)CC[NH2+]C2 ZINC000085568460 179095586 /nfs/dbraw/zinc/09/55/86/179095586.db2.gz LUZDVMAZFLUMSK-ZDUSSCGKSA-N 2 1 276.428 2.102 10 0 CEAEMP CC[N@H+]1CCC[C@@H](n2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085572787 179098032 /nfs/dbraw/zinc/09/80/32/179098032.db2.gz OKVRWMHMJPLBMZ-CQSZACIVSA-N 2 1 290.455 2.384 10 0 CEAEMP CC(C)(C)c1nc2c(n1[C@H]1CC[N@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573014 179098265 /nfs/dbraw/zinc/09/82/65/179098265.db2.gz HMGOEFMEGLYBMH-ZDUSSCGKSA-N 2 1 288.439 2.236 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609445 179101119 /nfs/dbraw/zinc/10/11/19/179101119.db2.gz ULLRVVFDJUXDNO-SOUVJXGZSA-N 2 1 254.418 2.266 10 0 CEAEMP CC1(C)C[N@H+](C[C@H]2OCCc3ccccc32)CCC[NH2+]1 ZINC000085611637 179103168 /nfs/dbraw/zinc/10/31/68/179103168.db2.gz CLKPGJHJRFRPRX-MRXNPFEDSA-N 2 1 274.408 2.374 10 0 CEAEMP CC1(C)C[N@@H+](C[C@H]2OCCc3ccccc32)CCC[NH2+]1 ZINC000085611637 179103170 /nfs/dbraw/zinc/10/31/70/179103170.db2.gz CLKPGJHJRFRPRX-MRXNPFEDSA-N 2 1 274.408 2.374 10 0 CEAEMP COCC[N@H+]1C[C@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625620 179107434 /nfs/dbraw/zinc/10/74/34/179107434.db2.gz NJXDNSILZXAQOE-DZGCQCFKSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@]1(c2ccccc2)CN([C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145960 179238827 /nfs/dbraw/zinc/23/88/27/179238827.db2.gz OPBKHATXFBNDHD-QZTJIDSGSA-N 2 1 285.435 2.044 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000086145845 179239122 /nfs/dbraw/zinc/23/91/22/179239122.db2.gz ASCQKZYBJUHQSK-IRXDYDNUSA-N 2 1 273.424 2.117 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223003 179250871 /nfs/dbraw/zinc/25/08/71/179250871.db2.gz MFKFJXXQPKMTJK-PVAVHDDUSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086223051 179250904 /nfs/dbraw/zinc/25/09/04/179250904.db2.gz ZGZJMZZFXPGLFE-RRFJBIMHSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223100 179251271 /nfs/dbraw/zinc/25/12/71/179251271.db2.gz OKKXXQPCBDAVJH-KFWWJZLASA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@]1(C)CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223930 179253406 /nfs/dbraw/zinc/25/34/06/179253406.db2.gz PDLDUTANPPSWFT-OWCLPIDISA-N 2 1 267.461 2.179 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225399 179253666 /nfs/dbraw/zinc/25/36/66/179253666.db2.gz MRSMMEGWSYUMEU-JKSUJKDBSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225378 179253812 /nfs/dbraw/zinc/25/38/12/179253812.db2.gz RAQJKXGKLWTJRC-BRWVUGGUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259280 179258358 /nfs/dbraw/zinc/25/83/58/179258358.db2.gz GPWJOCOWKYWPGZ-IKGGRYGDSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259591 179258431 /nfs/dbraw/zinc/25/84/31/179258431.db2.gz RPFHVPVYSOYITE-FGTMMUONSA-N 2 1 291.483 2.322 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259594 179258580 /nfs/dbraw/zinc/25/85/80/179258580.db2.gz RPFHVPVYSOYITE-KURKYZTESA-N 2 1 291.483 2.322 10 0 CEAEMP CC[C@H]1CN[C@](C)(CC)C[N@@H+]1CCCC[NH+](C)C ZINC000086261082 179260642 /nfs/dbraw/zinc/26/06/42/179260642.db2.gz XVEIEQMMYQTHJD-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN[C@](C)(CC)C[N@H+]1CCCC[NH+](C)C ZINC000086261082 179260644 /nfs/dbraw/zinc/26/06/44/179260644.db2.gz XVEIEQMMYQTHJD-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291376 179265188 /nfs/dbraw/zinc/26/51/88/179265188.db2.gz GPZOAFLJEJZJTM-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP CCC1(CC)C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288197 179264783 /nfs/dbraw/zinc/26/47/83/179264783.db2.gz JRNUWVOTTVLXTA-UHFFFAOYSA-N 2 1 261.413 2.478 10 0 CEAEMP CC(C)[C@H]1CN[C@@H](C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259023 179256401 /nfs/dbraw/zinc/25/64/01/179256401.db2.gz IYEQVBQQYLOIAR-IAGOWNOFSA-N 2 1 279.472 2.037 10 0 CEAEMP C([C@H]1CCCOC1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086292473 179266007 /nfs/dbraw/zinc/26/60/07/179266007.db2.gz GXCAKXKXPSSHOM-CQSZACIVSA-N 2 1 252.402 2.021 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086291630 179266844 /nfs/dbraw/zinc/26/68/44/179266844.db2.gz DRHJMQWTVMUGDV-AEFFLSMTSA-N 2 1 287.451 2.365 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293387 179268269 /nfs/dbraw/zinc/26/82/69/179268269.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 3 1 269.477 2.427 10 0 CEAEMP CC(C)[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293387 179268271 /nfs/dbraw/zinc/26/82/71/179268271.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 3 1 269.477 2.427 10 0 CEAEMP CC(C)[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293387 179268272 /nfs/dbraw/zinc/26/82/72/179268272.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 3 1 269.477 2.427 10 0 CEAEMP C[NH2+][C@H]1CCCc2sc(N3CC[NH+](C4CC4)CC3)nc21 ZINC000086443920 179293814 /nfs/dbraw/zinc/29/38/14/179293814.db2.gz PFWUCQKIHYNLPC-LBPRGKRZSA-N 2 1 292.452 2.024 10 0 CEAEMP Cc1[nH+]ccn1CCO[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713100 179322606 /nfs/dbraw/zinc/32/26/06/179322606.db2.gz NROKQHFCSLZLRY-JSGCOSHPSA-N 2 1 251.374 2.116 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086819257 179348330 /nfs/dbraw/zinc/34/83/30/179348330.db2.gz NTUVGWBWQBWXIH-HNNXBMFYSA-N 2 1 253.434 2.066 10 0 CEAEMP CCCC1CCN([C@@]2(C[NH3+])CCC[N@@H+](C)CC2)CC1 ZINC000086819543 179348826 /nfs/dbraw/zinc/34/88/26/179348826.db2.gz QLLBTBXCGPOZEI-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[N@H+]1CCC[C@@](CO)([NH2+]C2CCCCCC2)CC1 ZINC000086834334 179349346 /nfs/dbraw/zinc/34/93/46/179349346.db2.gz NYQVDBSNBDVXTA-OAHLLOKOSA-N 2 1 254.418 2.146 10 0 CEAEMP C[NH+](C)C1(CN[C@@H]2CCC[N@@H+](C)CC2)CCCCC1 ZINC000086817204 179344380 /nfs/dbraw/zinc/34/43/80/179344380.db2.gz QKXMHQGMQZYDCW-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCN(CC(C)C)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846854 179356490 /nfs/dbraw/zinc/35/64/90/179356490.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@H+](CC(C)C)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846854 179356491 /nfs/dbraw/zinc/35/64/91/179356491.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[N@@H+](CC(C)C)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846854 179356492 /nfs/dbraw/zinc/35/64/92/179356492.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[NH+](CC(C)C)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846854 179356494 /nfs/dbraw/zinc/35/64/94/179356494.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[NH+](CC(C)C)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846854 179356495 /nfs/dbraw/zinc/35/64/95/179356495.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837162 179350855 /nfs/dbraw/zinc/35/08/55/179350855.db2.gz FLPYXEYNSUUKGW-HNNXBMFYSA-N 2 1 264.417 2.127 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC2CC[NH+](C(C)C)CC2)CC1 ZINC000086836804 179351581 /nfs/dbraw/zinc/35/15/81/179351581.db2.gz ZMTFEOQTFABIKN-HNNXBMFYSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000086836804 179351582 /nfs/dbraw/zinc/35/15/82/179351582.db2.gz ZMTFEOQTFABIKN-HNNXBMFYSA-N 3 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000086836804 179351583 /nfs/dbraw/zinc/35/15/83/179351583.db2.gz ZMTFEOQTFABIKN-HNNXBMFYSA-N 3 1 267.461 2.323 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837636 179351624 /nfs/dbraw/zinc/35/16/24/179351624.db2.gz IPKIAXMRVNLWIY-INIZCTEOSA-N 2 1 289.423 2.138 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000086837636 179351625 /nfs/dbraw/zinc/35/16/25/179351625.db2.gz IPKIAXMRVNLWIY-INIZCTEOSA-N 2 1 289.423 2.138 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841701 179353079 /nfs/dbraw/zinc/35/30/79/179353079.db2.gz SEFCLLNDEKZURE-JKSUJKDBSA-N 2 1 295.471 2.240 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841701 179353081 /nfs/dbraw/zinc/35/30/81/179353081.db2.gz SEFCLLNDEKZURE-JKSUJKDBSA-N 2 1 295.471 2.240 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NC)CC1 ZINC000086840574 179353095 /nfs/dbraw/zinc/35/30/95/179353095.db2.gz VUHLKFBPRXTZMO-GJZGRUSLSA-N 2 1 283.460 2.001 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843395 179353349 /nfs/dbraw/zinc/35/33/49/179353349.db2.gz POJTVUJHWOAPGE-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843395 179353351 /nfs/dbraw/zinc/35/33/51/179353351.db2.gz POJTVUJHWOAPGE-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843395 179353353 /nfs/dbraw/zinc/35/33/53/179353353.db2.gz POJTVUJHWOAPGE-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000086843395 179353357 /nfs/dbraw/zinc/35/33/57/179353357.db2.gz POJTVUJHWOAPGE-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000086843395 179353358 /nfs/dbraw/zinc/35/33/58/179353358.db2.gz POJTVUJHWOAPGE-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840796 179353484 /nfs/dbraw/zinc/35/34/84/179353484.db2.gz PWJLHZSKTXAQKL-HNNXBMFYSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840796 179353485 /nfs/dbraw/zinc/35/34/85/179353485.db2.gz PWJLHZSKTXAQKL-HNNXBMFYSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842132 179353779 /nfs/dbraw/zinc/35/37/79/179353779.db2.gz QWLVRVITSXBJJS-GJZGRUSLSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867906 179360073 /nfs/dbraw/zinc/36/00/73/179360073.db2.gz FEBJQVFVHSXMDC-KRWDZBQOSA-N 2 1 276.424 2.403 10 0 CEAEMP CCC[N@H+]1CCC[C@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867906 179360076 /nfs/dbraw/zinc/36/00/76/179360076.db2.gz FEBJQVFVHSXMDC-KRWDZBQOSA-N 2 1 276.424 2.403 10 0 CEAEMP C[NH+](C)[C@H](CN[C@@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911275 187398395 /nfs/dbraw/zinc/39/83/95/187398395.db2.gz ZKUOPKUHZOVJHC-CHWSQXEVSA-N 2 1 267.442 2.083 10 0 CEAEMP CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000088628009 179643826 /nfs/dbraw/zinc/64/38/26/179643826.db2.gz UEIAKQIALUEPHO-IUODEOHRSA-N 2 1 258.369 2.066 10 0 CEAEMP CCC[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000088628009 179643828 /nfs/dbraw/zinc/64/38/28/179643828.db2.gz UEIAKQIALUEPHO-IUODEOHRSA-N 2 1 258.369 2.066 10 0 CEAEMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369571 233178597 /nfs/dbraw/zinc/17/85/97/233178597.db2.gz TUTXEYQYSFFBPX-CGTJXYLNSA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369571 233178598 /nfs/dbraw/zinc/17/85/98/233178598.db2.gz TUTXEYQYSFFBPX-CGTJXYLNSA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369571 233178599 /nfs/dbraw/zinc/17/85/99/233178599.db2.gz TUTXEYQYSFFBPX-CGTJXYLNSA-N 3 1 287.451 2.096 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566059 180005269 /nfs/dbraw/zinc/00/52/69/180005269.db2.gz WEQWSSBVHFYNRC-BARDWOONSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090567240 180006639 /nfs/dbraw/zinc/00/66/39/180006639.db2.gz NACKMPDFTKWHJQ-FRRDWIJNSA-N 2 1 294.361 2.275 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090567240 180006641 /nfs/dbraw/zinc/00/66/41/180006641.db2.gz NACKMPDFTKWHJQ-FRRDWIJNSA-N 2 1 294.361 2.275 10 0 CEAEMP FC(F)(F)COCCC[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694350 180026082 /nfs/dbraw/zinc/02/60/82/180026082.db2.gz UJRZNFJDIKAVMN-ZDUSSCGKSA-N 2 1 294.361 2.419 10 0 CEAEMP c1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)O2 ZINC000090876230 180051353 /nfs/dbraw/zinc/05/13/53/180051353.db2.gz HOLNLMGQBGBJQY-BBWFWOEESA-N 2 1 286.419 2.454 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)O2 ZINC000090897790 180056994 /nfs/dbraw/zinc/05/69/94/180056994.db2.gz JKFXVVHYAHRGNL-GOEBONIOSA-N 2 1 274.408 2.230 10 0 CEAEMP C[NH+]1CCC([NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090903509 180060377 /nfs/dbraw/zinc/06/03/77/180060377.db2.gz YHGVRJYIPZSZSV-AWEZNQCLSA-N 2 1 280.799 2.327 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275386 180118443 /nfs/dbraw/zinc/11/84/43/180118443.db2.gz YWNXTESULCNGIY-SWLSCSKDSA-N 2 1 262.401 2.338 10 0 CEAEMP [NH3+]C[C@H]1CCCC[N@@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275510 180119014 /nfs/dbraw/zinc/11/90/14/180119014.db2.gz FUNHCKNBVALKTO-WBMJQRKESA-N 2 1 274.412 2.482 10 0 CEAEMP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)CC2CC(O)C2)C1 ZINC000091459769 180160655 /nfs/dbraw/zinc/16/06/55/180160655.db2.gz JFESIEKAFORONL-CMTNHCDUSA-N 2 1 268.445 2.233 10 0 CEAEMP CC[C@](C)(C[NH2+]C(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091490539 180170000 /nfs/dbraw/zinc/17/00/00/180170000.db2.gz XOEGCWRMQIYFND-YMAMQOFZSA-N 2 1 256.434 2.103 10 0 CEAEMP C[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCO)Cc1ccccc1 ZINC000091403104 180147240 /nfs/dbraw/zinc/14/72/40/180147240.db2.gz GRFIKGPVZKXYQQ-AWEZNQCLSA-N 2 1 264.413 2.115 10 0 CEAEMP CC[C@](C)([C@@H](Cc1nn(C)c2ccccc12)[NH2+]C)[NH+](C)C ZINC000091570369 180195889 /nfs/dbraw/zinc/19/58/89/180195889.db2.gz FCBCZCKZAFVKGJ-IAGOWNOFSA-N 2 1 288.439 2.434 10 0 CEAEMP CCC[NH2+][C@@H](Cc1ncnn1CCC)[C@](C)(CC)[NH+](C)C ZINC000091572202 180196518 /nfs/dbraw/zinc/19/65/18/180196518.db2.gz QGLHIAVRJJSVIB-HOCLYGCPSA-N 2 1 295.475 2.329 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@@H](O)c1c[nH+]ccc1N ZINC000091573399 180196654 /nfs/dbraw/zinc/19/66/54/180196654.db2.gz DQNPETYIBCGXRP-UONOGXRCSA-N 2 1 251.374 2.208 10 0 CEAEMP CC[C@@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCCC1 ZINC000091609683 180205798 /nfs/dbraw/zinc/20/57/98/180205798.db2.gz XSKMDPSOOPTRCT-IRXDYDNUSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH+](CC)C1([C@@H](N)Cc2cc[nH+]c(N)c2)CCCC1 ZINC000091639093 180212573 /nfs/dbraw/zinc/21/25/73/180212573.db2.gz OMTGAJQZRVMZDJ-AWEZNQCLSA-N 2 1 276.428 2.188 10 0 CEAEMP C[NH2+][C@@H](Cc1cc(C)nn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091640991 180213498 /nfs/dbraw/zinc/21/34/98/180213498.db2.gz VLGNIJGYUREKNS-INIZCTEOSA-N 2 1 290.455 2.268 10 0 CEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652578 180216868 /nfs/dbraw/zinc/21/68/68/180216868.db2.gz UKOXKACAUGUAMP-UNEWFSDZSA-N 2 1 290.455 2.305 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720176 180236011 /nfs/dbraw/zinc/23/60/11/180236011.db2.gz KMLFCJWRNVPJEJ-BMFZPTHFSA-N 2 1 260.381 2.166 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720176 180236013 /nfs/dbraw/zinc/23/60/13/180236013.db2.gz KMLFCJWRNVPJEJ-BMFZPTHFSA-N 2 1 260.381 2.166 10 0 CEAEMP [NH3+][C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720472 180236652 /nfs/dbraw/zinc/23/66/52/180236652.db2.gz ZWTVDZGFWTWMPB-VCTAVGKDSA-N 2 1 298.789 2.212 10 0 CEAEMP [NH3+][C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720472 180236654 /nfs/dbraw/zinc/23/66/54/180236654.db2.gz ZWTVDZGFWTWMPB-VCTAVGKDSA-N 2 1 298.789 2.212 10 0 CEAEMP CC[NH2+][C@@H](C)c1cccn1C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000091802145 180258856 /nfs/dbraw/zinc/25/88/56/180258856.db2.gz BICMHBUCVDQMRO-GJZGRUSLSA-N 2 1 279.428 2.268 10 0 CEAEMP CCC[NH2+]Cc1cnc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091722439 180240566 /nfs/dbraw/zinc/24/05/66/180240566.db2.gz GLNJQJNCIYGBEP-DGCLKSJQSA-N 2 1 281.425 2.178 10 0 CEAEMP CCC[NH2+]Cc1cnc([C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091722439 180240568 /nfs/dbraw/zinc/24/05/68/180240568.db2.gz GLNJQJNCIYGBEP-DGCLKSJQSA-N 2 1 281.425 2.178 10 0 CEAEMP CCC[N@@H+]([C@@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091852327 180272615 /nfs/dbraw/zinc/27/26/15/180272615.db2.gz LMUXXHDEDAUTFD-HLIUYOAVSA-N 2 1 295.471 2.416 10 0 CEAEMP CCC[N@@H+](CCN(CC)CC)C1CCC([NH3+])CC1 ZINC000091852305 180273097 /nfs/dbraw/zinc/27/30/97/180273097.db2.gz FNLWLTXCPMFKQK-UHFFFAOYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@@H+]([C@H](CC)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852570 180273246 /nfs/dbraw/zinc/27/32/46/180273246.db2.gz IHOPKTWHAKSBQV-JXQTWKCFSA-N 2 1 270.417 2.310 10 0 CEAEMP CC[N@@H+](CC(=O)Nc1ccccc1F)C1CCC([NH3+])CC1 ZINC000091851093 180271812 /nfs/dbraw/zinc/27/18/12/180271812.db2.gz GBSKQKMGGCZOJZ-UHFFFAOYSA-N 2 1 293.386 2.356 10 0 CEAEMP CC[N@@H+](CC1(O)CCCCC1)C1CCC([NH3+])CC1 ZINC000091850662 180272040 /nfs/dbraw/zinc/27/20/40/180272040.db2.gz POHAMANZBZGRTP-UHFFFAOYSA-N 2 1 254.418 2.273 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC000091870336 180277077 /nfs/dbraw/zinc/27/70/77/180277077.db2.gz RPBIBZIAHQKZCB-UHFFFAOYSA-N 2 1 261.413 2.477 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC000091870659 180277277 /nfs/dbraw/zinc/27/72/77/180277277.db2.gz JVQLMEATVXUTBJ-GPANFISMSA-N 2 1 274.408 2.453 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C2CCC3(CC2)OCCO3)CC1 ZINC000091871379 180277308 /nfs/dbraw/zinc/27/73/08/180277308.db2.gz ILYFWGUZGXQLSX-UHFFFAOYSA-N 2 1 282.428 2.135 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C2CCN(C(C)C)CC2)CC1 ZINC000091871172 180277362 /nfs/dbraw/zinc/27/73/62/180277362.db2.gz JTAKIUZJOXRPLE-UHFFFAOYSA-N 2 1 267.461 2.322 10 0 CEAEMP C[NH2+]C1CCC([N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000091871172 180277363 /nfs/dbraw/zinc/27/73/63/180277363.db2.gz JTAKIUZJOXRPLE-UHFFFAOYSA-N 3 1 267.461 2.322 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000091871172 180277365 /nfs/dbraw/zinc/27/73/65/180277365.db2.gz JTAKIUZJOXRPLE-UHFFFAOYSA-N 3 1 267.461 2.322 10 0 CEAEMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091872893 180278294 /nfs/dbraw/zinc/27/82/94/180278294.db2.gz SEQQGWNKXPQERT-HWOWSKLDSA-N 2 1 295.471 2.240 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COC2(C[NH3+])CCC(C(C)C)CC2)C1 ZINC000092050597 180311737 /nfs/dbraw/zinc/31/17/37/180311737.db2.gz XKSSBPBIMPVTGW-CGZBRXJRSA-N 2 1 298.471 2.267 10 0 CEAEMP CC[N@H+]1CCO[C@H](COC2(C[NH3+])CCC(C(C)C)CC2)C1 ZINC000092050597 180311738 /nfs/dbraw/zinc/31/17/38/180311738.db2.gz XKSSBPBIMPVTGW-CGZBRXJRSA-N 2 1 298.471 2.267 10 0 CEAEMP CC[C@@H]([NH3+])c1ccc(OC[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000092050957 180311985 /nfs/dbraw/zinc/31/19/85/180311985.db2.gz KKLQBGXEBGMOQB-JKSUJKDBSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@@H]([NH3+])c1ccc(OC[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092050957 180311986 /nfs/dbraw/zinc/31/19/86/180311986.db2.gz KKLQBGXEBGMOQB-JKSUJKDBSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@H]([NH3+])c1ccc(OC[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000092050959 180312125 /nfs/dbraw/zinc/31/21/25/180312125.db2.gz KKLQBGXEBGMOQB-CVEARBPZSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@H]([NH3+])c1ccc(OC[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092050959 180312127 /nfs/dbraw/zinc/31/21/27/180312127.db2.gz KKLQBGXEBGMOQB-CVEARBPZSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2ccc3c(c2)CCC[C@@H]3[NH3+])C1 ZINC000092051230 180312721 /nfs/dbraw/zinc/31/27/21/180312721.db2.gz JUKBVBJBCFOWCR-RDJZCZTQSA-N 2 1 290.407 2.122 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2ccc3c(c2)CCC[C@@H]3[NH3+])C1 ZINC000092051230 180312722 /nfs/dbraw/zinc/31/27/22/180312722.db2.gz JUKBVBJBCFOWCR-RDJZCZTQSA-N 2 1 290.407 2.122 10 0 CEAEMP CCC[NH2+][C@H](C)c1cccn1C[C@H]1C[N@@H+](CC)CCO1 ZINC000092060278 180315445 /nfs/dbraw/zinc/31/54/45/180315445.db2.gz RNMVYLOUGRTVKI-HUUCEWRRSA-N 2 1 279.428 2.269 10 0 CEAEMP C[NH2+]Cc1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092002226 180304280 /nfs/dbraw/zinc/30/42/80/180304280.db2.gz XLJVKTHUYZOGAD-CABCVRRESA-N 2 1 259.397 2.079 10 0 CEAEMP C[NH2+]Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003596 180304519 /nfs/dbraw/zinc/30/45/19/180304519.db2.gz QWBUNDRTKIAYLE-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000092003596 180304520 /nfs/dbraw/zinc/30/45/20/180304520.db2.gz QWBUNDRTKIAYLE-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000092003596 180304523 /nfs/dbraw/zinc/30/45/23/180304523.db2.gz QWBUNDRTKIAYLE-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP Cc1cc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH+]cc1N ZINC000092027656 180309727 /nfs/dbraw/zinc/30/97/27/180309727.db2.gz QRUNOWMZZZYNHJ-YHWZYXNKSA-N 2 1 260.385 2.399 10 0 CEAEMP CC[NH2+][C@@](C)(CO)CCCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090213 180322561 /nfs/dbraw/zinc/32/25/61/180322561.db2.gz WPYMMVICTLBZCI-QLFBSQMISA-N 2 1 256.434 2.105 10 0 CEAEMP Cc1cc(C[N@H+](C)CCC(N)=[NH2+])c2ccccc2n1 ZINC000092348129 180367570 /nfs/dbraw/zinc/36/75/70/180367570.db2.gz ZCCQMCUGTVPJQJ-UHFFFAOYSA-N 2 1 256.353 2.301 10 0 CEAEMP Cc1cc(C[N@@H+](C)CCC(N)=[NH2+])c2ccccc2n1 ZINC000092348129 180367572 /nfs/dbraw/zinc/36/75/72/180367572.db2.gz ZCCQMCUGTVPJQJ-UHFFFAOYSA-N 2 1 256.353 2.301 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402169 180377820 /nfs/dbraw/zinc/37/78/20/180377820.db2.gz JHYSQNCXNNTXII-VXGBXAGGSA-N 2 1 255.431 2.188 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000109603715 186266877 /nfs/dbraw/zinc/26/68/77/186266877.db2.gz JGJWPTBJJACORE-ZDUSSCGKSA-N 2 1 294.370 2.060 10 0 CEAEMP CCOC(=O)C1CC[NH+](Cc2cc(C[NH3+])ccc2F)CC1 ZINC000109603612 186267037 /nfs/dbraw/zinc/26/70/37/186267037.db2.gz ABPOWMIWBRAUTO-UHFFFAOYSA-N 2 1 294.370 2.060 10 0 CEAEMP C[N@@H+](C[C@H](O)c1ccc(C[NH3+])cc1)CC1CCCC1 ZINC000110833960 186328433 /nfs/dbraw/zinc/32/84/33/186328433.db2.gz MZBQKJWPAJCRCB-INIZCTEOSA-N 2 1 262.397 2.301 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705144 186314660 /nfs/dbraw/zinc/31/46/60/186314660.db2.gz XLUBEWODOHONKA-AAEUAGOBSA-N 2 1 267.442 2.162 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705025 186314982 /nfs/dbraw/zinc/31/49/82/186314982.db2.gz SAJYCYXCMQBRRW-GXTWGEPZSA-N 2 1 265.401 2.084 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)CC[N@H+]1C ZINC000110710531 186315435 /nfs/dbraw/zinc/31/54/35/186315435.db2.gz MXTBPAZAFRIGEY-XQLPTFJDSA-N 2 1 291.439 2.429 10 0 CEAEMP C[NH2+][C@H]1CCCCCC[C@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717188 186315541 /nfs/dbraw/zinc/31/55/41/186315541.db2.gz ZNDBSUYPCLGWFY-LSDHHAIUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@H+]1C ZINC000110715386 186315729 /nfs/dbraw/zinc/31/57/29/186315729.db2.gz YITXQXJMEQOPDG-JQHSSLGASA-N 2 1 287.451 2.417 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717333 186316034 /nfs/dbraw/zinc/31/60/34/186316034.db2.gz JCRKTGOWYGNBMN-CABCVRRESA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+]Cc2sccc2C)CC[N@H+]1C ZINC000110757490 186319862 /nfs/dbraw/zinc/31/98/62/186319862.db2.gz NRSKOZSNSPITMF-CQSZACIVSA-N 2 1 281.469 2.172 10 0 CEAEMP CC[C@H]1CN(CC[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC000110757386 186320392 /nfs/dbraw/zinc/32/03/92/186320392.db2.gz AEXKLMADURFCGZ-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@H+]1CCN(CCC[NH2+]C2CCCCC2)CC1(C)C ZINC000110757714 186320467 /nfs/dbraw/zinc/32/04/67/186320467.db2.gz SMLAESOVBBSPEF-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754734 186320772 /nfs/dbraw/zinc/32/07/72/186320772.db2.gz XMICHEULSOIYQD-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH2+]Cc1occc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110754804 186322184 /nfs/dbraw/zinc/32/21/84/186322184.db2.gz MUKFJVUSKADKIE-UHFFFAOYSA-N 2 1 279.428 2.304 10 0 CEAEMP CCCC1(C[N@@H+](C)CCC[NH+](C)C)CC[NH2+]CC1 ZINC000111140650 186357194 /nfs/dbraw/zinc/35/71/94/186357194.db2.gz YVXSAVFBENXOIQ-UHFFFAOYSA-N 3 1 255.450 2.040 10 0 CEAEMP CCCC1(C[N@H+](C)CCCN(C)C)CC[NH2+]CC1 ZINC000111140650 186357196 /nfs/dbraw/zinc/35/71/96/186357196.db2.gz YVXSAVFBENXOIQ-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CCCC1(C[N@@H+](C)CCCN(C)C)CC[NH2+]CC1 ZINC000111140650 186357198 /nfs/dbraw/zinc/35/71/98/186357198.db2.gz YVXSAVFBENXOIQ-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@H+](C)CCN(C)C)cc1 ZINC000111149947 186360202 /nfs/dbraw/zinc/36/02/02/186360202.db2.gz BNJIALYPGALJQN-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)CCN(C)C)cc1 ZINC000111149947 186360204 /nfs/dbraw/zinc/36/02/04/186360204.db2.gz BNJIALYPGALJQN-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111175084 186365680 /nfs/dbraw/zinc/36/56/80/186365680.db2.gz ZLOWDTHXLCDEMW-CABCVRRESA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326871 186398142 /nfs/dbraw/zinc/39/81/42/186398142.db2.gz SUSQIBFDBYMLGB-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)[NH2+]C[C@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CCCOC1 ZINC000111329911 186399883 /nfs/dbraw/zinc/39/98/83/186399883.db2.gz VHVFCAOXUMSHQK-IRXDYDNUSA-N 2 1 298.471 2.140 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630359950 351711318 /nfs/dbraw/zinc/71/13/18/351711318.db2.gz NVZOZTPOCDHLIC-GJZGRUSLSA-N 2 1 254.418 2.395 10 0 CEAEMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000336268359 283107091 /nfs/dbraw/zinc/10/70/91/283107091.db2.gz AWSUADWUYANQIP-CHWSQXEVSA-N 2 1 258.356 2.449 10 0 CEAEMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000336268359 283107092 /nfs/dbraw/zinc/10/70/92/283107092.db2.gz AWSUADWUYANQIP-CHWSQXEVSA-N 2 1 258.356 2.449 10 0 CEAEMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000336268359 283107094 /nfs/dbraw/zinc/10/70/94/283107094.db2.gz AWSUADWUYANQIP-CHWSQXEVSA-N 2 1 258.356 2.449 10 0 CEAEMP CN(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222903575 540524039 /nfs/dbraw/zinc/52/40/39/540524039.db2.gz MDNJWIBKNIPSJV-OAGGEKHMSA-N 2 1 261.413 2.149 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccnc(C)c1 ZINC000120181669 365385906 /nfs/dbraw/zinc/38/59/06/365385906.db2.gz HALWSPCHPQLCIF-CQSZACIVSA-N 2 1 276.384 2.338 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000631839229 367578979 /nfs/dbraw/zinc/57/89/79/367578979.db2.gz CCXJLSBKJLWIIE-OCCSQVGLSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000631839229 367578987 /nfs/dbraw/zinc/57/89/87/367578987.db2.gz CCXJLSBKJLWIIE-OCCSQVGLSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631843128 367586269 /nfs/dbraw/zinc/58/62/69/367586269.db2.gz JNZPMSNPASYRFN-NEPJUHHUSA-N 2 1 268.788 2.245 10 0 CEAEMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000262590666 284006652 /nfs/dbraw/zinc/00/66/52/284006652.db2.gz UTLACDMGIJSFLR-UXLLHSPISA-N 2 1 289.423 2.066 10 0 CEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000634999256 369033146 /nfs/dbraw/zinc/03/31/46/369033146.db2.gz RQPYQCZKHKDVIZ-RDBSUJKOSA-N 2 1 260.381 2.079 10 0 CEAEMP COC[C@H](C)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000187124280 369106698 /nfs/dbraw/zinc/10/66/98/369106698.db2.gz ZAQQMQDCJGNPLX-HIFRSBDPSA-N 2 1 277.412 2.406 10 0 CEAEMP COC[C@H](C)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000187124280 369106700 /nfs/dbraw/zinc/10/67/00/369106700.db2.gz ZAQQMQDCJGNPLX-HIFRSBDPSA-N 2 1 277.412 2.406 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000231668374 370485578 /nfs/dbraw/zinc/48/55/78/370485578.db2.gz SUXJFKBLJKIOHZ-HNNXBMFYSA-N 2 1 275.396 2.089 10 0 CEAEMP [NH3+]C1CCN(C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000253565711 371530273 /nfs/dbraw/zinc/53/02/73/371530273.db2.gz IBIOOIHKRUQSMZ-KRWDZBQOSA-N 2 1 273.424 2.074 10 0 CEAEMP CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261767768 371725394 /nfs/dbraw/zinc/72/53/94/371725394.db2.gz RXDFMDSZMJSELE-MSOLQXFVSA-N 2 1 298.434 2.467 10 0 CEAEMP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261845309 371749589 /nfs/dbraw/zinc/74/95/89/371749589.db2.gz ASSHNRUKXVVHHJ-UAGQMJEPSA-N 2 1 292.398 2.115 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(C)(C)C)CC1 ZINC000112697845 296181358 /nfs/dbraw/zinc/18/13/58/296181358.db2.gz NDNNOKRVKMERLP-CQSZACIVSA-N 2 1 270.461 2.447 10 0 CEAEMP Nc1[nH+]cnc2c1c(Cc1ccccc1)cn2[C@@H]1CC[NH2+]C1 ZINC000261506717 190039862 /nfs/dbraw/zinc/03/98/62/190039862.db2.gz AIGMZWGOQGGFFI-CQSZACIVSA-N 2 1 293.374 2.139 10 0 CEAEMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000262590665 190057767 /nfs/dbraw/zinc/05/77/67/190057767.db2.gz UTLACDMGIJSFLR-INMHGKMJSA-N 2 1 289.423 2.066 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1C ZINC000311821738 376689011 /nfs/dbraw/zinc/68/90/11/376689011.db2.gz NITIYLCIKWRCLU-NWDGAFQWSA-N 2 1 266.433 2.368 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000563445928 377227993 /nfs/dbraw/zinc/22/79/93/377227993.db2.gz PSRHSVAXFMJQHB-CABCVRRESA-N 3 1 267.461 2.229 10 0 CEAEMP CC(C)C[NH2+]CC(C)(C)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000094465857 184806860 /nfs/dbraw/zinc/80/68/60/184806860.db2.gz KGMALOSAEKGTME-OAHLLOKOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@](C)(O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000123485008 394828231 /nfs/dbraw/zinc/82/82/31/394828231.db2.gz CJUJRIUELWLBNX-GDBMZVCRSA-N 2 1 277.412 2.285 10 0 CEAEMP CC[C@@](C)(O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000123485008 394828236 /nfs/dbraw/zinc/82/82/36/394828236.db2.gz CJUJRIUELWLBNX-GDBMZVCRSA-N 2 1 277.412 2.285 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337240261 394887185 /nfs/dbraw/zinc/88/71/85/394887185.db2.gz AUWFJXIHZLRMNM-VQHPVUNQSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337240261 394887191 /nfs/dbraw/zinc/88/71/91/394887191.db2.gz AUWFJXIHZLRMNM-VQHPVUNQSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337240261 394887194 /nfs/dbraw/zinc/88/71/94/394887194.db2.gz AUWFJXIHZLRMNM-VQHPVUNQSA-N 2 1 280.456 2.486 10 0 CEAEMP CC(C)[C@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000159907659 162320652 /nfs/dbraw/zinc/32/06/52/162320652.db2.gz IBTWQGVXGMSSRP-SECBINFHSA-N 2 1 258.163 2.239 10 0 CEAEMP C[C@@H](N(C)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043302 174049955 /nfs/dbraw/zinc/04/99/55/174049955.db2.gz WYCLNBRGASUDRP-UKRRQHHQSA-N 2 1 295.471 2.096 10 0 CEAEMP C[C@@H](N(C)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043302 174049957 /nfs/dbraw/zinc/04/99/57/174049957.db2.gz WYCLNBRGASUDRP-UKRRQHHQSA-N 2 1 295.471 2.096 10 0 CEAEMP CCN1CCC([N@H+](CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040747487 174392929 /nfs/dbraw/zinc/39/29/29/174392929.db2.gz VKSIIFZVHPEVBJ-MZBDJJRSSA-N 3 1 265.445 2.076 10 0 CEAEMP CCN1CCC([N@@H+](CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040747487 174392930 /nfs/dbraw/zinc/39/29/30/174392930.db2.gz VKSIIFZVHPEVBJ-MZBDJJRSSA-N 3 1 265.445 2.076 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](C2CC2)CC1 ZINC000043364836 175025781 /nfs/dbraw/zinc/02/57/81/175025781.db2.gz SWXYBOVIUHHSJP-GOEBONIOSA-N 2 1 277.412 2.146 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](N1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000043378324 175030566 /nfs/dbraw/zinc/03/05/66/175030566.db2.gz LDJMGDXAMDFNEF-MNOVXSKESA-N 2 1 281.366 2.071 10 0 CEAEMP C[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000043818158 175113242 /nfs/dbraw/zinc/11/32/42/175113242.db2.gz CRRRPZJBOMSRQT-QGZVFWFLSA-N 2 1 275.440 2.201 10 0 CEAEMP CC[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818467 175113326 /nfs/dbraw/zinc/11/33/26/175113326.db2.gz AVGZFMWQRXJICZ-MSOLQXFVSA-N 2 1 287.451 2.290 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)C1CCCCC1 ZINC000045372325 175365024 /nfs/dbraw/zinc/36/50/24/175365024.db2.gz LPJKLVIBDQFXKS-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379160 175368172 /nfs/dbraw/zinc/36/81/72/175368172.db2.gz BGYIYFKIAKSOLQ-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[NH+](C)C)[NH2+]C(C)C ZINC000045380120 175369276 /nfs/dbraw/zinc/36/92/76/175369276.db2.gz SNUAVZOOWGGMBJ-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[N@H+](CCC[C@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390592 175374338 /nfs/dbraw/zinc/37/43/38/175374338.db2.gz IOISODYAJSACEJ-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390592 175374340 /nfs/dbraw/zinc/37/43/40/175374340.db2.gz IOISODYAJSACEJ-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392030 175375493 /nfs/dbraw/zinc/37/54/93/175375493.db2.gz WCWGISGZFOWPIN-HOCLYGCPSA-N 2 1 285.476 2.375 10 0 CEAEMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@](C)(CC)C2)CC1 ZINC000070359232 175888789 /nfs/dbraw/zinc/88/87/89/175888789.db2.gz MEROUWGZEIOOBL-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP Nc1cc(C[C@H]([NH3+])Cc2ccccc2Cl)cc[nH+]1 ZINC000070403160 175911635 /nfs/dbraw/zinc/91/16/35/175911635.db2.gz RFORVOSIMJSCMQ-LBPRGKRZSA-N 2 1 261.756 2.430 10 0 CEAEMP CCCc1[nH+]ccn1C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000070425776 175922576 /nfs/dbraw/zinc/92/25/76/175922576.db2.gz SCFQQWBWCYGRSR-KBPBESRZSA-N 2 1 265.401 2.381 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])([N@@H+](CCCOC)CCOC)C1 ZINC000071124069 176034867 /nfs/dbraw/zinc/03/48/67/176034867.db2.gz TUXQLLNNEBOSBD-HOTGVXAUSA-N 2 1 286.460 2.269 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCSc2ccccc21 ZINC000071148851 176044641 /nfs/dbraw/zinc/04/46/41/176044641.db2.gz MQQCAYDWXUNTFF-HNNXBMFYSA-N 2 1 291.464 2.061 10 0 CEAEMP CCOc1ccc(N)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071187796 176061197 /nfs/dbraw/zinc/06/11/97/176061197.db2.gz UVSWDEPRNGVCDW-CYBMUJFWSA-N 2 1 277.412 2.051 10 0 CEAEMP CCOc1ccc(N)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071187796 176061199 /nfs/dbraw/zinc/06/11/99/176061199.db2.gz UVSWDEPRNGVCDW-CYBMUJFWSA-N 2 1 277.412 2.051 10 0 CEAEMP CCOc1ccc(N)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187796 176061200 /nfs/dbraw/zinc/06/12/00/176061200.db2.gz UVSWDEPRNGVCDW-CYBMUJFWSA-N 2 1 277.412 2.051 10 0 CEAEMP CCOc1ccc(N)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187796 176061202 /nfs/dbraw/zinc/06/12/02/176061202.db2.gz UVSWDEPRNGVCDW-CYBMUJFWSA-N 2 1 277.412 2.051 10 0 CEAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187949 176061909 /nfs/dbraw/zinc/06/19/09/176061909.db2.gz GRDVPNYWUIRVSP-UXLLHSPISA-N 2 1 275.440 2.267 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000071188702 176063316 /nfs/dbraw/zinc/06/33/16/176063316.db2.gz IUSGWZXSAAYDRH-LVQVYYBASA-N 2 1 281.488 2.412 10 0 CEAEMP CC[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071188905 176063957 /nfs/dbraw/zinc/06/39/57/176063957.db2.gz OPSBRBZMGRKDKV-NVXWUHKLSA-N 2 1 275.440 2.221 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188984 176064516 /nfs/dbraw/zinc/06/45/16/176064516.db2.gz OVWXUZIFTXXADT-UXLLHSPISA-N 2 1 275.440 2.219 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188979 176064745 /nfs/dbraw/zinc/06/47/45/176064745.db2.gz CCDFZBYFYFFLKO-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188979 176064747 /nfs/dbraw/zinc/06/47/47/176064747.db2.gz CCDFZBYFYFFLKO-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188979 176064748 /nfs/dbraw/zinc/06/47/48/176064748.db2.gz CCDFZBYFYFFLKO-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188979 176064749 /nfs/dbraw/zinc/06/47/49/176064749.db2.gz CCDFZBYFYFFLKO-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188979 176064750 /nfs/dbraw/zinc/06/47/50/176064750.db2.gz CCDFZBYFYFFLKO-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000071188983 176065029 /nfs/dbraw/zinc/06/50/29/176065029.db2.gz GGIDUQBKGKAHKM-WBVHZDCISA-N 2 1 275.440 2.139 10 0 CEAEMP CC[NH2+][C@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071191363 176069175 /nfs/dbraw/zinc/06/91/75/176069175.db2.gz ZRXMFHJMTMGNJE-HUUCEWRRSA-N 2 1 269.477 2.284 10 0 CEAEMP Cc1ccccc1[C@@H]([NH3+])CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191299 176069333 /nfs/dbraw/zinc/06/93/33/176069333.db2.gz FNKNYKYMHAFGLI-WBVHZDCISA-N 2 1 275.440 2.268 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000071191669 176071772 /nfs/dbraw/zinc/07/17/72/176071772.db2.gz ZPRFHXMAGCVKHK-HNNXBMFYSA-N 2 1 290.455 2.358 10 0 CEAEMP CC[NH2+]Cc1cnc(N(C)C[C@@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC000071191744 176071937 /nfs/dbraw/zinc/07/19/37/176071937.db2.gz OVFFCNFQQLUAPW-GFCCVEGCSA-N 2 1 296.846 2.232 10 0 CEAEMP CC(C)C[NH2+]Cc1ccoc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191941 176071952 /nfs/dbraw/zinc/07/19/52/176071952.db2.gz JMMDIVPPJSNUHI-HNNXBMFYSA-N 2 1 293.455 2.409 10 0 CEAEMP CCC[C@H](C)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192329 176073654 /nfs/dbraw/zinc/07/36/54/176073654.db2.gz ZRLFHCYMNOENSY-SOUVJXGZSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC(CC)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192308 176073830 /nfs/dbraw/zinc/07/38/30/176073830.db2.gz XHMSNTHOTSETMQ-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+][C@H]1CCN(CCCC[N@@H+](C)C(C)C)C1 ZINC000071200754 176077652 /nfs/dbraw/zinc/07/76/52/176077652.db2.gz YYVJFUULBRVWHN-HNNXBMFYSA-N 2 1 255.450 2.179 10 0 CEAEMP CCc1ccc(C[N@H+](CCOC)CCC(N)=[NH2+])cc1 ZINC000071229053 176091001 /nfs/dbraw/zinc/09/10/01/176091001.db2.gz RFRDJNGWCDSBDR-UHFFFAOYSA-N 2 1 263.385 2.023 10 0 CEAEMP CCc1ccc(C[N@@H+](CCOC)CCC(N)=[NH2+])cc1 ZINC000071229053 176091003 /nfs/dbraw/zinc/09/10/03/176091003.db2.gz RFRDJNGWCDSBDR-UHFFFAOYSA-N 2 1 263.385 2.023 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCCCCC[NH2+]C)CC1 ZINC000071289792 176110574 /nfs/dbraw/zinc/11/05/74/176110574.db2.gz JBERNBRDPODAHH-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1CCCCCC[NH2+]C1CC1 ZINC000071289815 176110667 /nfs/dbraw/zinc/11/06/67/176110667.db2.gz URSJKJMXFDHGBG-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ccnn1C ZINC000071333639 176126332 /nfs/dbraw/zinc/12/63/32/176126332.db2.gz QKSXQAYJNBIFKM-MZBDJJRSSA-N 2 1 276.428 2.019 10 0 CEAEMP CC[C@H]1CN(CCn2cc[nH+]c2C)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071344285 176131203 /nfs/dbraw/zinc/13/12/03/176131203.db2.gz TYAUNAHFLSNKOT-GJZGRUSLSA-N 2 1 278.444 2.290 10 0 CEAEMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261853732 275395354 /nfs/dbraw/zinc/39/53/54/275395354.db2.gz BKWWGTLIJHZSTQ-ARFHVFGLSA-N 2 1 266.429 2.313 10 0 CEAEMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261938499 278145553 /nfs/dbraw/zinc/14/55/53/278145553.db2.gz MPAJQLMCVUKRLU-GCSSGZNBSA-N 2 1 298.496 2.407 10 0 CEAEMP CC(C)[N@H+](Cc1cccs1)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052544997 519661631 /nfs/dbraw/zinc/66/16/31/519661631.db2.gz MWRVKJJBSZLFPQ-CHWSQXEVSA-N 2 1 268.426 2.465 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCSCC2)O1 ZINC000052371163 519745377 /nfs/dbraw/zinc/74/53/77/519745377.db2.gz XGXWSRIRCXYUPS-LSDHHAIUSA-N 2 1 286.485 2.219 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654645 519743646 /nfs/dbraw/zinc/74/36/46/519743646.db2.gz MGMGOZJQAHJXJB-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[C@H](C[NH3+])O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702299 519815075 /nfs/dbraw/zinc/81/50/75/519815075.db2.gz FLLBEYRJSHPHCG-CVEARBPZSA-N 2 1 262.397 2.261 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@@H](C)COC)oc1C ZINC000052572324 519987279 /nfs/dbraw/zinc/98/72/79/519987279.db2.gz BPZPAKHLZURMFR-ZDUSSCGKSA-N 2 1 298.427 2.181 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)C2CCOCC2)cc1 ZINC000052481244 519995898 /nfs/dbraw/zinc/99/58/98/519995898.db2.gz RWLDARDPHVRINE-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCCC1)C(N)=O ZINC000068638355 520139958 /nfs/dbraw/zinc/13/99/58/520139958.db2.gz HRBHQGHYJGXIBA-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000068638355 520139965 /nfs/dbraw/zinc/13/99/65/520139965.db2.gz HRBHQGHYJGXIBA-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000062741087 520306951 /nfs/dbraw/zinc/30/69/51/520306951.db2.gz UBCAQIMWFYXWHK-NWDGAFQWSA-N 2 1 256.415 2.495 10 0 CEAEMP CCN(CC[N@@H+]1CCC[NH2+]CC1)c1ccc(C)cc1 ZINC000061275767 521045753 /nfs/dbraw/zinc/04/57/53/521045753.db2.gz OMYOXJZRQUZZPT-UHFFFAOYSA-N 2 1 261.413 2.117 10 0 CEAEMP CCN(CC[N@H+]1CCC[NH2+]CC1)c1ccc(C)cc1 ZINC000061275767 521045755 /nfs/dbraw/zinc/04/57/55/521045755.db2.gz OMYOXJZRQUZZPT-UHFFFAOYSA-N 2 1 261.413 2.117 10 0 CEAEMP C(CN1CCC[N@H+]2CCC[C@@H]2C1)[NH2+]C1CCCCCC1 ZINC000062942668 518387869 /nfs/dbraw/zinc/38/78/69/518387869.db2.gz OFMDECHOCXQXSK-QGZVFWFLSA-N 2 1 279.472 2.469 10 0 CEAEMP CC(C)[N@@H+](CCN1CCC[NH2+]CC1)Cc1cccs1 ZINC000061275384 519646455 /nfs/dbraw/zinc/64/64/55/519646455.db2.gz HHXRLKBFSDCFHU-UHFFFAOYSA-N 2 1 281.469 2.254 10 0 CEAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573068 519722871 /nfs/dbraw/zinc/72/28/71/519722871.db2.gz RWCGUXJXQMGRTB-ILXRZTDVSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[NH2+]C[C@@H](C)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573068 519722873 /nfs/dbraw/zinc/72/28/73/519722873.db2.gz RWCGUXJXQMGRTB-ILXRZTDVSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630438 519736599 /nfs/dbraw/zinc/73/65/99/519736599.db2.gz VJKURLVBASLFST-WWGRRREGSA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630438 519736601 /nfs/dbraw/zinc/73/66/01/519736601.db2.gz VJKURLVBASLFST-WWGRRREGSA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643309 519736650 /nfs/dbraw/zinc/73/66/50/519736650.db2.gz BUERWKKNFCEHML-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504455 519748127 /nfs/dbraw/zinc/74/81/27/519748127.db2.gz RJYSGQMSPVSKTL-CQSZACIVSA-N 2 1 295.475 2.390 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(O)CC1 ZINC000054626681 519907234 /nfs/dbraw/zinc/90/72/34/519907234.db2.gz GURBGKBIRNILDA-OZEOOWDWSA-N 2 1 266.429 2.285 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccn1 ZINC000054627721 519910794 /nfs/dbraw/zinc/91/07/94/519910794.db2.gz QRURPJLXLXUVAT-MQVJKMGUSA-N 2 1 259.397 2.229 10 0 CEAEMP CCC[NH2+]CCCCC[N@@H+](CCCOC)CCOC ZINC000052543290 519912194 /nfs/dbraw/zinc/91/21/94/519912194.db2.gz DDDYHIKCKQFIAO-UHFFFAOYSA-N 2 1 274.449 2.141 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CCN(C)C)CC(C)C)O1 ZINC000052503397 519925121 /nfs/dbraw/zinc/92/51/21/519925121.db2.gz XPWMOROSVVDUIK-IRXDYDNUSA-N 2 1 299.503 2.053 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](CN(CC[NH+](C)C)CC(C)C)O1 ZINC000052503397 519925132 /nfs/dbraw/zinc/92/51/32/519925132.db2.gz XPWMOROSVVDUIK-IRXDYDNUSA-N 2 1 299.503 2.053 10 0 CEAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541573 519942576 /nfs/dbraw/zinc/94/25/76/519942576.db2.gz ABVIMJWBXLVALD-CYBMUJFWSA-N 2 1 250.386 2.373 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420851 519952705 /nfs/dbraw/zinc/95/27/05/519952705.db2.gz NUOZOWKPEFXAQE-XGUBFFRZSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](CCOC)[C@H](C)COC ZINC000052572349 519972322 /nfs/dbraw/zinc/97/23/22/519972322.db2.gz PXULLAQSHMTVFZ-CQSZACIVSA-N 2 1 298.427 2.263 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](CCCOC)CCOC ZINC000052543248 519972691 /nfs/dbraw/zinc/97/26/91/519972691.db2.gz XSEKTIIBQLEJFD-UHFFFAOYSA-N 2 1 298.427 2.264 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CCOC)[C@H](C)COC ZINC000052572450 520006051 /nfs/dbraw/zinc/00/60/51/520006051.db2.gz ZNPMMXQMRJEMFJ-OAHLLOKOSA-N 2 1 294.439 2.279 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000052477395 520009066 /nfs/dbraw/zinc/00/90/66/520009066.db2.gz BEBODMVKHIYNCF-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCO[C@@H](CC)C1 ZINC000052477395 520009067 /nfs/dbraw/zinc/00/90/67/520009067.db2.gz BEBODMVKHIYNCF-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078729 520073229 /nfs/dbraw/zinc/07/32/29/520073229.db2.gz VGSRFCZZOLWRCW-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+][C@H]1CCCc2nc(N3CC[NH+](CC)CC3)sc21 ZINC000054899371 520216354 /nfs/dbraw/zinc/21/63/54/520216354.db2.gz CWGLYYLBLNVCLK-LBPRGKRZSA-N 2 1 294.468 2.272 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000054560322 520218241 /nfs/dbraw/zinc/21/82/41/520218241.db2.gz LYLZDKCRXVEJHH-VQHPVUNQSA-N 2 1 282.472 2.494 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000062739834 520311668 /nfs/dbraw/zinc/31/16/68/520311668.db2.gz UUTLGVPTPZQLLV-QWRGUYRKSA-N 2 1 254.399 2.031 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000062739834 520311675 /nfs/dbraw/zinc/31/16/75/520311675.db2.gz UUTLGVPTPZQLLV-QWRGUYRKSA-N 2 1 254.399 2.031 10 0 CEAEMP CC[N@@H+](CC1(C[NH2+]C)CCOCC1)C1CCCC1 ZINC000052181641 520937475 /nfs/dbraw/zinc/93/74/75/520937475.db2.gz NHRMMRGAQYKXRH-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[N@@H+](CCOC)Cc1oc2ccccc2c1C[NH3+] ZINC000052542734 521138104 /nfs/dbraw/zinc/13/81/04/521138104.db2.gz STAROPONQZMFDU-UHFFFAOYSA-N 2 1 262.353 2.360 10 0 CEAEMP CCC[C@H]1CN(CCn2cc[nH+]c2C)[C@H](C(C)C)C[NH2+]1 ZINC000068700700 521221380 /nfs/dbraw/zinc/22/13/80/521221380.db2.gz VLNLJEFRFIANQM-HOTGVXAUSA-N 2 1 278.444 2.290 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]CC(C)C)no1)[C@@H](C)COC ZINC000052504853 521288189 /nfs/dbraw/zinc/28/81/89/521288189.db2.gz ARLWZVNZZQGWJA-ZDUSSCGKSA-N 2 1 283.416 2.277 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH3+] ZINC000069429237 521301782 /nfs/dbraw/zinc/30/17/82/521301782.db2.gz PHDVEKVDIWLAJS-UHFFFAOYSA-N 2 1 263.385 2.204 10 0 CEAEMP CC[N@H+](Cc1ccnc(Cl)c1)C1CC[NH2+]CC1 ZINC000052709509 521413173 /nfs/dbraw/zinc/41/31/73/521413173.db2.gz ILTHOQJXGQTFAM-UHFFFAOYSA-N 2 1 253.777 2.309 10 0 CEAEMP CC[N@@H+](Cc1ccnc(Cl)c1)C1CC[NH2+]CC1 ZINC000052709509 521413178 /nfs/dbraw/zinc/41/31/78/521413178.db2.gz ILTHOQJXGQTFAM-UHFFFAOYSA-N 2 1 253.777 2.309 10 0 CEAEMP CCCc1[nH+]ccn1[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068650299 521555854 /nfs/dbraw/zinc/55/58/54/521555854.db2.gz FOCCLJHQCAMLBH-WFASDCNBSA-N 2 1 280.416 2.029 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCC[NH+](C)C)C1 ZINC000045663860 521651239 /nfs/dbraw/zinc/65/12/39/521651239.db2.gz PMWUERIJYAPYGU-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[N@@H+](CCN(C)C)[C@@H](C)CCC[NH2+]C(C)C ZINC000052544235 521657743 /nfs/dbraw/zinc/65/77/43/521657743.db2.gz RAQYOJKNNXEZLI-HNNXBMFYSA-N 2 1 257.466 2.427 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054602259 521956913 /nfs/dbraw/zinc/95/69/13/521956913.db2.gz OBWMBZXNQFDTOZ-ZKXZWOTCSA-N 2 1 252.402 2.159 10 0 CEAEMP C[NH2+]CC1(C[N@@H+]2CCC[C@H]2CN(C)C)CCCCC1 ZINC000061653461 521969359 /nfs/dbraw/zinc/96/93/59/521969359.db2.gz GKZLYKKUDDBUJQ-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H]2CN(C)C)CCCCC1 ZINC000061653461 521969368 /nfs/dbraw/zinc/96/93/68/521969368.db2.gz GKZLYKKUDDBUJQ-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376270 522017072 /nfs/dbraw/zinc/01/70/72/522017072.db2.gz ZSXJNKLNIKPGBQ-OAHLLOKOSA-N 2 1 275.440 2.423 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000052482298 522105740 /nfs/dbraw/zinc/10/57/40/522105740.db2.gz WCHYMIISLYDMRI-QWHCGFSZSA-N 2 1 263.385 2.406 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000052482298 522105747 /nfs/dbraw/zinc/10/57/47/522105747.db2.gz WCHYMIISLYDMRI-QWHCGFSZSA-N 2 1 263.385 2.406 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000052507227 522126881 /nfs/dbraw/zinc/12/68/81/522126881.db2.gz WKRBVUOKGQRQGR-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP C[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@@H]1CCSC1 ZINC000052453324 522140089 /nfs/dbraw/zinc/14/00/89/522140089.db2.gz IQSVBLMHXFWIBC-CQSZACIVSA-N 2 1 280.437 2.222 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1C ZINC000052573248 522161449 /nfs/dbraw/zinc/16/14/49/522161449.db2.gz CEUCTUKFFQVFKN-GJZGRUSLSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1oc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1C ZINC000052573248 522161454 /nfs/dbraw/zinc/16/14/54/522161454.db2.gz CEUCTUKFFQVFKN-GJZGRUSLSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+][C@H](C)CCCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078723 522439666 /nfs/dbraw/zinc/43/96/66/522439666.db2.gz ZBELGQANMGNGEB-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653643 522490047 /nfs/dbraw/zinc/49/00/47/522490047.db2.gz SYTMSAZBGLXQJM-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653643 522490053 /nfs/dbraw/zinc/49/00/53/522490053.db2.gz SYTMSAZBGLXQJM-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052593184 522587034 /nfs/dbraw/zinc/58/70/34/522587034.db2.gz SFPADKUFRBKTKD-OLZOCXBDSA-N 2 1 265.401 2.381 10 0 CEAEMP C[N@@H+](CCC[C@H]1CCCC[NH2+]1)CCc1ccccn1 ZINC000050952486 522788605 /nfs/dbraw/zinc/78/86/05/522788605.db2.gz CKUBDPPBCZMPLA-OAHLLOKOSA-N 2 1 261.413 2.478 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052572888 523618536 /nfs/dbraw/zinc/61/85/36/523618536.db2.gz KZZXCWLKWNFFCX-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP COCC[N@@H+](CCCCC[NH2+]C(C)C)[C@H](C)COC ZINC000052572416 523694680 /nfs/dbraw/zinc/69/46/80/523694680.db2.gz CNNWTBSCHLVKAI-OAHLLOKOSA-N 2 1 274.449 2.138 10 0 CEAEMP COCC[N@@H+](Cc1ccc(C[NH2+]C(C)C)o1)[C@H](C)COC ZINC000052572333 523748516 /nfs/dbraw/zinc/74/85/16/523748516.db2.gz DBBWSZSMWAILBB-CQSZACIVSA-N 2 1 298.427 2.261 10 0 CEAEMP COCC[N@@H+](Cc1occc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052572321 523779310 /nfs/dbraw/zinc/77/93/10/523779310.db2.gz VYCLHAQTWVPFEB-CYBMUJFWSA-N 2 1 296.411 2.015 10 0 CEAEMP COCC[N@@H+]([C@@H](C)CCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572408 523780446 /nfs/dbraw/zinc/78/04/46/523780446.db2.gz YZBIHBBSDIHIQR-HOTGVXAUSA-N 2 1 288.476 2.384 10 0 CEAEMP C[N@H+]1CCCN(Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052424266 523806225 /nfs/dbraw/zinc/80/62/25/523806225.db2.gz XYVSWVPRVRJPFL-UHFFFAOYSA-N 2 1 289.448 2.498 10 0 CEAEMP CN1CCC[N@H+](Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052424266 523806232 /nfs/dbraw/zinc/80/62/32/523806232.db2.gz XYVSWVPRVRJPFL-UHFFFAOYSA-N 2 1 289.448 2.498 10 0 CEAEMP CN1CCC[N@@H+](Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052424266 523806242 /nfs/dbraw/zinc/80/62/42/523806242.db2.gz XYVSWVPRVRJPFL-UHFFFAOYSA-N 2 1 289.448 2.498 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(C[NH2+]C)co1 ZINC000052547370 523939062 /nfs/dbraw/zinc/93/90/62/523939062.db2.gz NFIZADYZNAGLOQ-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP C[C@H](C[NH3+])C[N@H+]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872135 524307098 /nfs/dbraw/zinc/30/70/98/524307098.db2.gz ZTKGHFVXDLJZSF-CYBMUJFWSA-N 2 1 297.393 2.067 10 0 CEAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)C1CCN(C)CC1 ZINC000052419803 524476526 /nfs/dbraw/zinc/47/65/26/524476526.db2.gz BACQQDZKWOJJQH-CYBMUJFWSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](C)C1CCN(C)CC1 ZINC000052419803 524476532 /nfs/dbraw/zinc/47/65/32/524476532.db2.gz BACQQDZKWOJJQH-CYBMUJFWSA-N 2 1 255.450 2.037 10 0 CEAEMP Cc1cccc(N2CC[NH+](Cc3ccc(C[NH3+])o3)CC2)c1 ZINC000052418936 524558669 /nfs/dbraw/zinc/55/86/69/524558669.db2.gz DRYAETLJHWRVHF-UHFFFAOYSA-N 2 1 285.391 2.369 10 0 CEAEMP C[C@@H]1COCC[N@@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000052475779 525127118 /nfs/dbraw/zinc/12/71/18/525127118.db2.gz KBEWVIGQJYJLRI-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1COCC[N@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000052475779 525127128 /nfs/dbraw/zinc/12/71/28/525127128.db2.gz KBEWVIGQJYJLRI-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1COCC[N@@H+]1Cc1c(C[NH3+])oc2ccccc21 ZINC000052475843 525127784 /nfs/dbraw/zinc/12/77/84/525127784.db2.gz KNQSUFCYVVVIEA-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@@H]1COCC[N@H+]1Cc1c(C[NH3+])oc2ccccc21 ZINC000052475843 525127792 /nfs/dbraw/zinc/12/77/92/525127792.db2.gz KNQSUFCYVVVIEA-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP Fc1ccccc1CC[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012054 526408875 /nfs/dbraw/zinc/40/88/75/526408875.db2.gz AXWKQHKNPRPCJV-CYBMUJFWSA-N 2 1 262.372 2.442 10 0 CEAEMP Fc1ccccc1CC[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012054 526408883 /nfs/dbraw/zinc/40/88/83/526408883.db2.gz AXWKQHKNPRPCJV-CYBMUJFWSA-N 2 1 262.372 2.442 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000052507449 526769548 /nfs/dbraw/zinc/76/95/48/526769548.db2.gz GYWKYNLULLUOIU-CYBMUJFWSA-N 2 1 252.358 2.048 10 0 CEAEMP [NH3+]CC1([NH+]2Cc3ccccc3C2)Cc2ccccc2C1 ZINC000050910538 527162872 /nfs/dbraw/zinc/16/28/72/527162872.db2.gz FLMUXBOMNKIUOM-UHFFFAOYSA-N 2 1 264.372 2.499 10 0 CEAEMP [NH3+]CC[C@H](c1ccccc1)[N@@H+](CCO)C1CCCC1 ZINC000055017140 527193439 /nfs/dbraw/zinc/19/34/39/527193439.db2.gz ZOZYLIRFJRTZGL-MRXNPFEDSA-N 2 1 262.397 2.313 10 0 CEAEMP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC000262480967 625177587 /nfs/dbraw/zinc/17/75/87/625177587.db2.gz JZDBPJYGDGMYAN-RCBQFDQVSA-N 2 1 298.386 2.271 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248755796 282217062 /nfs/dbraw/zinc/21/70/62/282217062.db2.gz HZAQUTQAPXFUQX-CVEARBPZSA-N 2 1 293.411 2.199 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCO[C@H]1CCCCO1 ZINC000248755796 282217065 /nfs/dbraw/zinc/21/70/65/282217065.db2.gz HZAQUTQAPXFUQX-CVEARBPZSA-N 2 1 293.411 2.199 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401027 343800714 /nfs/dbraw/zinc/80/07/14/343800714.db2.gz CKKXSOFANOKPTB-HOTGVXAUSA-N 2 1 289.423 2.067 10 0 CEAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@@](C)(O)c1ccccc1 ZINC000328628022 344756561 /nfs/dbraw/zinc/75/65/61/344756561.db2.gz GUKVZQXAUGKBDP-MAUKXSAKSA-N 2 1 299.418 2.285 10 0 CEAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@@](C)(O)c1ccccc1 ZINC000328628022 344756564 /nfs/dbraw/zinc/75/65/64/344756564.db2.gz GUKVZQXAUGKBDP-MAUKXSAKSA-N 2 1 299.418 2.285 10 0 CEAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000584645391 344972606 /nfs/dbraw/zinc/97/26/06/344972606.db2.gz PYGMRJTTXXNXLO-WFASDCNBSA-N 2 1 277.387 2.125 10 0 CEAEMP Nc1cc(C[C@@H]([NH3+])CSc2ccccc2F)cc[nH+]1 ZINC000097265978 185574611 /nfs/dbraw/zinc/57/46/11/185574611.db2.gz YJIMXRZYBSSULU-LLVKDONJSA-N 2 1 277.368 2.465 10 0 CEAEMP C[C@H](O)C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000123820895 290130437 /nfs/dbraw/zinc/13/04/37/290130437.db2.gz SMBYAGABOUNUMB-GJZGRUSLSA-N 2 1 254.418 2.098 10 0 CEAEMP CCCCNC(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403581 179053196 /nfs/dbraw/zinc/05/31/96/179053196.db2.gz WEXJLMKAKQETHV-MRXNPFEDSA-N 2 1 295.471 2.147 10 0 CEAEMP CC[C@H]1C[NH2+]C(CC)(CC)CN1CCn1cc[nH+]c1C ZINC000085517305 179087766 /nfs/dbraw/zinc/08/77/66/179087766.db2.gz YZVFKGHREXHDTN-HNNXBMFYSA-N 2 1 278.444 2.434 10 0 CEAEMP Cc1nccn1CC[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610442 179100883 /nfs/dbraw/zinc/10/08/83/179100883.db2.gz UBUCLCJZEGDJSF-UHFFFAOYSA-N 2 1 276.428 2.190 10 0 CEAEMP c1ccc(C[C@H]2C[N@H+](C[C@@H]3CCCCO3)CCC[NH2+]2)cc1 ZINC000085608740 179100966 /nfs/dbraw/zinc/10/09/66/179100966.db2.gz ZHYCQKFLINXVGH-ROUUACIJSA-N 2 1 288.435 2.462 10 0 CEAEMP c1ccc(C[C@H]2C[N@@H+](C[C@@H]3CCCCO3)CCC[NH2+]2)cc1 ZINC000085608740 179100968 /nfs/dbraw/zinc/10/09/68/179100968.db2.gz ZHYCQKFLINXVGH-ROUUACIJSA-N 2 1 288.435 2.462 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613135 179102349 /nfs/dbraw/zinc/10/23/49/179102349.db2.gz OTZUDEVHLRTAPW-GJZGRUSLSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@H]1C[N@@H+](CCCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085620438 179105667 /nfs/dbraw/zinc/10/56/67/179105667.db2.gz SYOMWRBOJJZKGW-QWRGUYRKSA-N 2 1 268.323 2.028 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086171834 179242941 /nfs/dbraw/zinc/24/29/41/179242941.db2.gz FWMWFIMPVJNRRW-VVLHAWIVSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H](C)[C@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172105 179244953 /nfs/dbraw/zinc/24/49/53/179244953.db2.gz RURXMBMRKLYMAR-VQHPVUNQSA-N 2 1 281.488 2.425 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223929 179253672 /nfs/dbraw/zinc/25/36/72/179253672.db2.gz RKFLLCXJWZUYFO-ZACQAIPSSA-N 2 1 279.472 2.179 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259327 179257810 /nfs/dbraw/zinc/25/78/10/179257810.db2.gz LYEBKUSILAMSFB-GJZGRUSLSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259627 179257837 /nfs/dbraw/zinc/25/78/37/179257837.db2.gz GMIXWBXCYXNFQK-BMFZPTHFSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259339 179258182 /nfs/dbraw/zinc/25/81/82/179258182.db2.gz RZVUWVANHKMODE-PMPSAXMXSA-N 2 1 267.461 2.323 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259359 179258495 /nfs/dbraw/zinc/25/84/95/179258495.db2.gz FQCVELWVUCJEQU-ILXRZTDVSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[C@@H]1CN[C@H](C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261061 179259872 /nfs/dbraw/zinc/25/98/72/179259872.db2.gz LDCLFJYJWFZDJN-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCCC[NH+](C)C ZINC000086261061 179259874 /nfs/dbraw/zinc/25/98/74/179259874.db2.gz LDCLFJYJWFZDJN-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1CCCC[NH+](C)C ZINC000086261080 179260466 /nfs/dbraw/zinc/26/04/66/179260466.db2.gz XVEIEQMMYQTHJD-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN[C@@](C)(CC)C[N@H+]1CCCC[NH+](C)C ZINC000086261080 179260471 /nfs/dbraw/zinc/26/04/71/179260471.db2.gz XVEIEQMMYQTHJD-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@]1(C)C[N@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296774 179267331 /nfs/dbraw/zinc/26/73/31/179267331.db2.gz KDJZNHBSNYCBKV-CQSZACIVSA-N 2 1 267.442 2.458 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296774 179267334 /nfs/dbraw/zinc/26/73/34/179267334.db2.gz KDJZNHBSNYCBKV-CQSZACIVSA-N 2 1 267.442 2.458 10 0 CEAEMP Cc1csc(CC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)n1 ZINC000086296796 179267489 /nfs/dbraw/zinc/26/74/89/179267489.db2.gz SQHIRVHYEKZZGH-ZDUSSCGKSA-N 2 1 265.426 2.068 10 0 CEAEMP Cc1csc(CC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)n1 ZINC000086296796 179267491 /nfs/dbraw/zinc/26/74/91/179267491.db2.gz SQHIRVHYEKZZGH-ZDUSSCGKSA-N 2 1 265.426 2.068 10 0 CEAEMP Cc1ncsc1C[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086297136 179267560 /nfs/dbraw/zinc/26/75/60/179267560.db2.gz QSVQJJTYKONMST-CQSZACIVSA-N 2 1 265.426 2.416 10 0 CEAEMP Cc1ncsc1C[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086297136 179267562 /nfs/dbraw/zinc/26/75/62/179267562.db2.gz QSVQJJTYKONMST-CQSZACIVSA-N 2 1 265.426 2.416 10 0 CEAEMP CC(C)[NH+](CCN[C@@H]1CCC[N@@H+](C)CC1)C(C)C ZINC000086817015 179345050 /nfs/dbraw/zinc/34/50/50/179345050.db2.gz GDJIKULTERFXOI-OAHLLOKOSA-N 2 1 255.450 2.179 10 0 CEAEMP CCC1CCN([C@]2(C[NH3+])CCC[N@@H+](CC)CC2)CC1 ZINC000086847573 179356133 /nfs/dbraw/zinc/35/61/33/179356133.db2.gz NHXWQEVBBZGNOE-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCCN(CC1CC1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847867 179356408 /nfs/dbraw/zinc/35/64/08/179356408.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+](CC1CC1)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847867 179356410 /nfs/dbraw/zinc/35/64/10/179356410.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@@H+](CC1CC1)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847867 179356411 /nfs/dbraw/zinc/35/64/11/179356411.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+](CC1CC1)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086847867 179356412 /nfs/dbraw/zinc/35/64/12/179356412.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+](CC1CC1)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086847867 179356413 /nfs/dbraw/zinc/35/64/13/179356413.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847118 179356548 /nfs/dbraw/zinc/35/65/48/179356548.db2.gz SBILAJYUYUTPSB-QGZVFWFLSA-N 2 1 290.455 2.107 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000086836005 179349839 /nfs/dbraw/zinc/34/98/39/179349839.db2.gz JXGPJNKEBRHLNE-MRXNPFEDSA-N 2 1 289.423 2.010 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836784 179351515 /nfs/dbraw/zinc/35/15/15/179351515.db2.gz FNDDCJYUUPBNFV-AWEZNQCLSA-N 2 1 263.385 2.054 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836784 179351516 /nfs/dbraw/zinc/35/15/16/179351516.db2.gz FNDDCJYUUPBNFV-AWEZNQCLSA-N 2 1 263.385 2.054 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846267 179355672 /nfs/dbraw/zinc/35/56/72/179355672.db2.gz JXRLUIQJOSCCKV-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[C@@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086920913 179367759 /nfs/dbraw/zinc/36/77/59/179367759.db2.gz IUMIFPZCPYTOBG-HUUCEWRRSA-N 2 1 254.418 2.003 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(O)(CC)CC)C1 ZINC000087014774 179379924 /nfs/dbraw/zinc/37/99/24/179379924.db2.gz KFPQUVUFJWWLDM-KGLIPLIRSA-N 2 1 256.434 2.248 10 0 CEAEMP C[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045998 179388308 /nfs/dbraw/zinc/38/83/08/179388308.db2.gz LRFLZHDRVDMZPP-CQSZACIVSA-N 2 1 268.445 2.249 10 0 CEAEMP CCC1CCC(O)(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000087052973 179388972 /nfs/dbraw/zinc/38/89/72/179388972.db2.gz OFZSDTTWDJYZPR-HWOWSKLDSA-N 2 1 268.445 2.249 10 0 CEAEMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000067847172 362928142 /nfs/dbraw/zinc/92/81/42/362928142.db2.gz RJFQHBWRMHQZBC-NSHDSACASA-N 2 1 285.351 2.296 10 0 CEAEMP CCn1nc(C)cc1C[N@@H+](CCC[NH3+])C1CCCC1 ZINC000089181647 179745018 /nfs/dbraw/zinc/74/50/18/179745018.db2.gz MGEVPJPLOWNBOV-UHFFFAOYSA-N 2 1 264.417 2.305 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000090566078 180005375 /nfs/dbraw/zinc/00/53/75/180005375.db2.gz VAHJOHBGKIIGNW-IAGOWNOFSA-N 2 1 276.424 2.441 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000090566017 180005855 /nfs/dbraw/zinc/00/58/55/180005855.db2.gz BEWSHMPTOUAMMA-IRXDYDNUSA-N 2 1 274.408 2.059 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](CC(C)C)C1CC1 ZINC000090566540 180005931 /nfs/dbraw/zinc/00/59/31/180005931.db2.gz KKLPARBRTHKVPW-DZGCQCFKSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000090566149 180005962 /nfs/dbraw/zinc/00/59/62/180005962.db2.gz FBWSEHHRTIOORW-KGLIPLIRSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000090566149 180005965 /nfs/dbraw/zinc/00/59/65/180005965.db2.gz FBWSEHHRTIOORW-KGLIPLIRSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000090566302 180006029 /nfs/dbraw/zinc/00/60/29/180006029.db2.gz GVVSLBLAMRGUOL-GDBMZVCRSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000090566302 180006030 /nfs/dbraw/zinc/00/60/30/180006030.db2.gz GVVSLBLAMRGUOL-GDBMZVCRSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](CC1CC1)C(C)C ZINC000090566556 180006923 /nfs/dbraw/zinc/00/69/23/180006923.db2.gz XOYCGEQBOMTKML-LSDHHAIUSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])C[C@@H]1Cc2ccccc2O1 ZINC000090875222 180050948 /nfs/dbraw/zinc/05/09/48/180050948.db2.gz KTHZEWWBEOXTPI-AWEZNQCLSA-N 2 1 275.396 2.274 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878338 180052087 /nfs/dbraw/zinc/05/20/87/180052087.db2.gz NWMRJCNIXYBCRM-COXVUDFISA-N 2 1 286.419 2.453 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879148 180052719 /nfs/dbraw/zinc/05/27/19/180052719.db2.gz CMSOWOUUZAVVBO-AWEZNQCLSA-N 2 1 266.360 2.190 10 0 CEAEMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090896642 180057019 /nfs/dbraw/zinc/05/70/19/180057019.db2.gz WJHLOEPSVUSKKG-MRXNPFEDSA-N 2 1 292.398 2.451 10 0 CEAEMP CC1CCC(C[NH3+])(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090907631 180061928 /nfs/dbraw/zinc/06/19/28/180061928.db2.gz WPLILCRNDPEQOD-HFDVOGEKSA-N 2 1 252.402 2.005 10 0 CEAEMP CC1CCC(C[NH3+])(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090907631 180061930 /nfs/dbraw/zinc/06/19/30/180061930.db2.gz WPLILCRNDPEQOD-HFDVOGEKSA-N 2 1 252.402 2.005 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000090958892 180075775 /nfs/dbraw/zinc/07/57/75/180075775.db2.gz CYCBJEIAMPKCMS-UHFFFAOYSA-N 2 1 283.441 2.384 10 0 CEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978330 180079021 /nfs/dbraw/zinc/07/90/21/180079021.db2.gz ZPELIQXKBCVRQB-XOSAIJSUSA-N 2 1 256.393 2.256 10 0 CEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019761 180087714 /nfs/dbraw/zinc/08/77/14/180087714.db2.gz AIXBXWJPZJSOMR-RYUDHWBXSA-N 2 1 258.369 2.122 10 0 CEAEMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019736 180088101 /nfs/dbraw/zinc/08/81/01/180088101.db2.gz DUTBIGTUQHOLAZ-NEPJUHHUSA-N 2 1 258.369 2.122 10 0 CEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccc(Cl)c1 ZINC000091313754 180132958 /nfs/dbraw/zinc/13/29/58/180132958.db2.gz KPVJVCUWSARXQT-AWEZNQCLSA-N 2 1 268.788 2.150 10 0 CEAEMP [NH3+]C[C@@H]1CCCC[N@@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275508 180118882 /nfs/dbraw/zinc/11/88/82/180118882.db2.gz FUNHCKNBVALKTO-LRDDRELGSA-N 2 1 274.412 2.482 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](N(C)C)C2)c1 ZINC000091430852 180153602 /nfs/dbraw/zinc/15/36/02/180153602.db2.gz MZCYQZDWQCKYSO-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](N(C)C)C2)c1 ZINC000091430852 180153603 /nfs/dbraw/zinc/15/36/03/180153603.db2.gz MZCYQZDWQCKYSO-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)C[NH2+]Cc1cncc(OC[C@@H]2CCCC[N@H+]2C)n1 ZINC000091435565 180154095 /nfs/dbraw/zinc/15/40/95/180154095.db2.gz CWCXFQRZEKHXMW-HNNXBMFYSA-N 2 1 292.427 2.085 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(C)c1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607224 180204525 /nfs/dbraw/zinc/20/45/25/180204525.db2.gz AHMMOUVSAHXLAD-JKSUJKDBSA-N 2 1 278.444 2.205 10 0 CEAEMP CCC(CC)([C@@H]([NH3+])Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091635021 180211654 /nfs/dbraw/zinc/21/16/54/180211654.db2.gz VUZWMSQGOCJZCI-AWEZNQCLSA-N 2 1 293.459 2.383 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(C)c1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649347 180216262 /nfs/dbraw/zinc/21/62/62/180216262.db2.gz RGKNPDCRCVZWMM-WIHSUSGWSA-N 2 1 292.471 2.451 10 0 CEAEMP C[NH+](C)C1([C@H](O)Cc2ccc[nH+]c2N)CCCCCC1 ZINC000091653937 180217042 /nfs/dbraw/zinc/21/70/42/180217042.db2.gz RYMNYZDERIOIPY-CQSZACIVSA-N 2 1 277.412 2.222 10 0 CEAEMP C[NH+](C)C1([C@H](N)Cc2cc[nH+]c(N)c2)CCCCCC1 ZINC000091654075 180217054 /nfs/dbraw/zinc/21/70/54/180217054.db2.gz OKRAGQWEGYOCNY-CQSZACIVSA-N 2 1 276.428 2.188 10 0 CEAEMP CC1CCC([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720771 180235958 /nfs/dbraw/zinc/23/59/58/180235958.db2.gz VABSKJUTVJNLQA-ODGNXRKOSA-N 2 1 252.402 2.003 10 0 CEAEMP Cc1ccc(C)c([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720651 180236808 /nfs/dbraw/zinc/23/68/08/180236808.db2.gz XHNGWWSPIFXXLO-BMFZPTHFSA-N 2 1 260.381 2.166 10 0 CEAEMP Cc1ccc(C)c([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720651 180236813 /nfs/dbraw/zinc/23/68/13/180236813.db2.gz XHNGWWSPIFXXLO-BMFZPTHFSA-N 2 1 260.381 2.166 10 0 CEAEMP CCC[N@@H+](CC(=O)N1CCCC[C@H]1C)C1CCC([NH3+])CC1 ZINC000091852388 180272839 /nfs/dbraw/zinc/27/28/39/180272839.db2.gz GZHSKWMACSCCHW-QQFBHYJXSA-N 2 1 295.471 2.369 10 0 CEAEMP CCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1CCC([NH3+])CC1 ZINC000091852449 180272905 /nfs/dbraw/zinc/27/29/05/180272905.db2.gz VNRCCISXOIBRAI-NFOMZHRRSA-N 2 1 283.460 2.129 10 0 CEAEMP CCOc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1O ZINC000091844086 180268988 /nfs/dbraw/zinc/26/89/88/180268988.db2.gz CYYKMUIGGVRZES-UHFFFAOYSA-N 2 1 278.396 2.493 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091843987 180269183 /nfs/dbraw/zinc/26/91/83/180269183.db2.gz HLAUBBTYEVOUHD-LMWSTFAQSA-N 2 1 264.417 2.300 10 0 CEAEMP Cc1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091846830 180269946 /nfs/dbraw/zinc/26/99/46/180269946.db2.gz VLXDLBGPQMSULQ-UHFFFAOYSA-N 2 1 275.396 2.135 10 0 CEAEMP CC[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CCC([NH3+])CC1 ZINC000091850826 180272091 /nfs/dbraw/zinc/27/20/91/180272091.db2.gz ZBLJONGVXFZPLM-UHFFFAOYSA-N 2 1 293.386 2.016 10 0 CEAEMP CC[N@@H+](C[C@@H]1COC2(CCCC2)O1)C1CCC([NH3+])CC1 ZINC000091851013 180272103 /nfs/dbraw/zinc/27/21/03/180272103.db2.gz OSZWFECIQJQWCE-YMAMQOFZSA-N 2 1 282.428 2.264 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2COc3cc(O)ccc32)CC1 ZINC000091870944 180276956 /nfs/dbraw/zinc/27/69/56/180276956.db2.gz UYGWCGPPTWUGOF-KOHJWAIASA-N 2 1 276.380 2.288 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871313 180277107 /nfs/dbraw/zinc/27/71/07/180277107.db2.gz BLOHUBINEJNSMM-HWOWSKLDSA-N 3 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871313 180277109 /nfs/dbraw/zinc/27/71/09/180277109.db2.gz BLOHUBINEJNSMM-HWOWSKLDSA-N 3 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871313 180277110 /nfs/dbraw/zinc/27/71/10/180277110.db2.gz BLOHUBINEJNSMM-HWOWSKLDSA-N 3 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@@H]([N@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871313 180277111 /nfs/dbraw/zinc/27/71/11/180277111.db2.gz BLOHUBINEJNSMM-HWOWSKLDSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871313 180277112 /nfs/dbraw/zinc/27/71/12/180277112.db2.gz BLOHUBINEJNSMM-HWOWSKLDSA-N 2 1 267.461 2.323 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2csc(C)n2)CC1 ZINC000091870948 180277326 /nfs/dbraw/zinc/27/73/26/180277326.db2.gz KCHISHOTPKAQJJ-UHFFFAOYSA-N 2 1 253.415 2.414 10 0 CEAEMP CC1(C)CCC(C[NH3+])([C@]2(O)CC[N@H+](C3CC3)C2)CC1 ZINC000091907233 180283864 /nfs/dbraw/zinc/28/38/64/180283864.db2.gz RSINCMVQNHDDPW-INIZCTEOSA-N 2 1 266.429 2.131 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000092051116 180311944 /nfs/dbraw/zinc/31/19/44/180311944.db2.gz IBNSUASBLVHSFN-CZUORRHYSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000092051116 180311946 /nfs/dbraw/zinc/31/19/46/180311946.db2.gz IBNSUASBLVHSFN-CZUORRHYSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[NH2+]Cc1cn(C[C@@H]2C[N@@H+](C)CCO2)c2ccccc12 ZINC000092060175 180315062 /nfs/dbraw/zinc/31/50/62/180315062.db2.gz GDMFYCOTVDJBTC-HNNXBMFYSA-N 2 1 287.407 2.081 10 0 CEAEMP C[C@H]([NH3+])c1ccc(SC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092080063 180318355 /nfs/dbraw/zinc/31/83/55/180318355.db2.gz DDANUUBTIGBWFN-WCQYABFASA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@H]([NH3+])c1ccc(SC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080063 180318358 /nfs/dbraw/zinc/31/83/58/180318358.db2.gz DDANUUBTIGBWFN-WCQYABFASA-N 2 1 266.410 2.129 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(SC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092080068 180318896 /nfs/dbraw/zinc/31/88/96/180318896.db2.gz JBGUXCZPGXZDPQ-OCCSQVGLSA-N 2 1 280.437 2.390 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080068 180318899 /nfs/dbraw/zinc/31/88/99/180318899.db2.gz JBGUXCZPGXZDPQ-OCCSQVGLSA-N 2 1 280.437 2.390 10 0 CEAEMP C[C@@H](C[N@@H+](C)CCSc1ccccc1)C(N)=[NH2+] ZINC000092262300 180354404 /nfs/dbraw/zinc/35/44/04/180354404.db2.gz NKRSDYKGQQSYBS-NSHDSACASA-N 2 1 251.399 2.283 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000092329170 180363906 /nfs/dbraw/zinc/36/39/06/180363906.db2.gz HSUJNHRUUBKXNO-MFKMUULPSA-N 2 1 251.374 2.111 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000092329170 180363907 /nfs/dbraw/zinc/36/39/07/180363907.db2.gz HSUJNHRUUBKXNO-MFKMUULPSA-N 2 1 251.374 2.111 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N2CCC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000110977906 186339559 /nfs/dbraw/zinc/33/95/59/186339559.db2.gz KZZOIVDYJWLLHG-NVXWUHKLSA-N 2 1 291.414 2.304 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705200 186313715 /nfs/dbraw/zinc/31/37/15/186313715.db2.gz YQDXANILDQAXLV-DOMZBBRYSA-N 2 1 279.403 2.240 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000110717070 186315716 /nfs/dbraw/zinc/31/57/16/186315716.db2.gz CKJCTASMAQRUQQ-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@H](C)CCCCN1CC[N@H+](C)C(C)(C)C1 ZINC000110717070 186315717 /nfs/dbraw/zinc/31/57/17/186315717.db2.gz CKJCTASMAQRUQQ-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@H](C)CCCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110717070 186315719 /nfs/dbraw/zinc/31/57/19/186315719.db2.gz CKJCTASMAQRUQQ-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110711872 186315932 /nfs/dbraw/zinc/31/59/32/186315932.db2.gz VEFYOWMIGCXNSZ-HZSPNIEDSA-N 2 1 291.439 2.429 10 0 CEAEMP CCc1ccccc1[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711722 186316660 /nfs/dbraw/zinc/31/66/60/186316660.db2.gz RBOHHCFPSABDNI-INIZCTEOSA-N 2 1 275.440 2.275 10 0 CEAEMP C[NH2+][C@@H](CCN1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000110744317 186318614 /nfs/dbraw/zinc/31/86/14/186318614.db2.gz OMNDTWLSUSADIH-BBRMVZONSA-N 2 1 279.403 2.112 10 0 CEAEMP C[C@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@H+]1C ZINC000110751284 186321106 /nfs/dbraw/zinc/32/11/06/186321106.db2.gz ITXUMSYPIWCJGF-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110751284 186321107 /nfs/dbraw/zinc/32/11/07/186321107.db2.gz ITXUMSYPIWCJGF-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110751284 186321109 /nfs/dbraw/zinc/32/11/09/186321109.db2.gz ITXUMSYPIWCJGF-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP CC[N@H+]1CCN(c2ncc(C[NH2+]CC(C)C)s2)C[C@@H]1C ZINC000110758520 186321160 /nfs/dbraw/zinc/32/11/60/186321160.db2.gz LGKWCVALTOBFFC-ZDUSSCGKSA-N 2 1 296.484 2.419 10 0 CEAEMP CC[NH2+]Cc1cc(CN2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC000110755424 186321251 /nfs/dbraw/zinc/32/12/51/186321251.db2.gz UNITXWKANSSDMP-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP CC[N@H+]1CCN(Cc2occc2C[NH2+]C(C)C)C[C@@H]1C ZINC000110752674 186321346 /nfs/dbraw/zinc/32/13/46/186321346.db2.gz WAGBAMQSPHFUNL-AWEZNQCLSA-N 2 1 279.428 2.304 10 0 CEAEMP C[C@@H]1CN(Cc2ccoc2C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110752300 186321834 /nfs/dbraw/zinc/32/18/34/186321834.db2.gz OBQZCUORBPJXOX-CYBMUJFWSA-N 2 1 279.428 2.304 10 0 CEAEMP CCOC(CC[N@@H+](C)CC1CC[NH+](C)CC1)OCC ZINC000110786108 186324331 /nfs/dbraw/zinc/32/43/31/186324331.db2.gz LKFYXRHWCZBGSA-UHFFFAOYSA-N 2 1 272.433 2.049 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(OCC[N@H+](C)CCN(C)C)cc1 ZINC000111149593 186360987 /nfs/dbraw/zinc/36/09/87/186360987.db2.gz WMDITAKKCOZGLH-UHFFFAOYSA-N 2 1 293.455 2.057 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(OCC[N@@H+](C)CCN(C)C)cc1 ZINC000111149593 186360988 /nfs/dbraw/zinc/36/09/88/186360988.db2.gz WMDITAKKCOZGLH-UHFFFAOYSA-N 2 1 293.455 2.057 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111123151 186355066 /nfs/dbraw/zinc/35/50/66/186355066.db2.gz ZTERCGYKPWHPCR-MRXNPFEDSA-N 2 1 286.460 2.140 10 0 CEAEMP Cc1ccc([C@@H](O)[C@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143924 186358768 /nfs/dbraw/zinc/35/87/68/186358768.db2.gz ZULADHGJVIQDLU-HOCLYGCPSA-N 2 1 264.413 2.300 10 0 CEAEMP Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143924 186358769 /nfs/dbraw/zinc/35/87/69/186358769.db2.gz ZULADHGJVIQDLU-HOCLYGCPSA-N 2 1 264.413 2.300 10 0 CEAEMP COc1ccc([C@H](O)[C@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143733 186359071 /nfs/dbraw/zinc/35/90/71/186359071.db2.gz QBRRSUIENLADNQ-XJKSGUPXSA-N 2 1 280.412 2.001 10 0 CEAEMP COc1ccc([C@H](O)[C@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143733 186359072 /nfs/dbraw/zinc/35/90/72/186359072.db2.gz QBRRSUIENLADNQ-XJKSGUPXSA-N 2 1 280.412 2.001 10 0 CEAEMP CO[C@@H]1C[N@H+](Cc2c(C)cccc2C)[C@@](C)(C[NH3+])C1 ZINC000630361689 351712020 /nfs/dbraw/zinc/71/20/20/351712020.db2.gz VEWBPDCSVNPKHN-GOEBONIOSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@@H]1C[N@@H+](Cc2c(C)cccc2C)[C@@](C)(C[NH3+])C1 ZINC000630361689 351712022 /nfs/dbraw/zinc/71/20/22/351712022.db2.gz VEWBPDCSVNPKHN-GOEBONIOSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630363569 351712534 /nfs/dbraw/zinc/71/25/34/351712534.db2.gz BRPRCWUSDYMSML-AGIUHOORSA-N 2 1 276.371 2.250 10 0 CEAEMP CO[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630363569 351712538 /nfs/dbraw/zinc/71/25/38/351712538.db2.gz BRPRCWUSDYMSML-AGIUHOORSA-N 2 1 276.371 2.250 10 0 CEAEMP CC[C@@H]1CN(c2cc[nH+]cc2Br)CC[C@H]1[NH3+] ZINC000252836833 540008931 /nfs/dbraw/zinc/00/89/31/540008931.db2.gz XLOMAQJIDQFNPY-MWLCHTKSSA-N 2 1 284.201 2.408 10 0 CEAEMP CC[C@@H]1CN(c2nc3ccccc3[nH]2)CC[N@H+]1CCOC ZINC000134949516 366377825 /nfs/dbraw/zinc/37/78/25/366377825.db2.gz WTUASFWWPZQHII-CYBMUJFWSA-N 2 1 288.395 2.110 10 0 CEAEMP CSc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843008 540316755 /nfs/dbraw/zinc/31/67/55/540316755.db2.gz IHMMANHCVZSRMM-YPMHNXCESA-N 2 1 250.411 2.435 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cncn3C)C2)[nH+]1 ZINC000177034737 189022702 /nfs/dbraw/zinc/02/27/02/189022702.db2.gz RNTIWNVYXKESSP-CQSZACIVSA-N 2 1 285.395 2.058 10 0 CEAEMP Cc1n[nH]cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813426 364110541 /nfs/dbraw/zinc/11/05/41/364110541.db2.gz DDTZXSAGAUNBPK-CQSZACIVSA-N 2 1 285.395 2.356 10 0 CEAEMP Cc1n[nH]cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813426 364110544 /nfs/dbraw/zinc/11/05/44/364110544.db2.gz DDTZXSAGAUNBPK-CQSZACIVSA-N 2 1 285.395 2.356 10 0 CEAEMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000095072287 364332367 /nfs/dbraw/zinc/33/23/67/364332367.db2.gz NIEWQNVAXKUNHG-WDEREUQCSA-N 2 1 284.201 2.204 10 0 CEAEMP CC[NH2+][C@H](CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091393 364337384 /nfs/dbraw/zinc/33/73/84/364337384.db2.gz BEJKLPBYVVOBGV-IAGOWNOFSA-N 2 1 276.424 2.259 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245428801 370818454 /nfs/dbraw/zinc/81/84/54/370818454.db2.gz JMLLLDRTXNURDW-LVQVYYBASA-N 2 1 295.471 2.190 10 0 CEAEMP C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631843130 367586340 /nfs/dbraw/zinc/58/63/40/367586340.db2.gz JNZPMSNPASYRFN-RYUDHWBXSA-N 2 1 268.788 2.245 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631837636 367576993 /nfs/dbraw/zinc/57/69/93/367576993.db2.gz VISJGSYZZWGELQ-WFASDCNBSA-N 2 1 255.365 2.261 10 0 CEAEMP CN(CC[NH+](C)C1CC1)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000187565450 369179606 /nfs/dbraw/zinc/17/96/06/369179606.db2.gz LOBWHQXCSVGJPP-UHFFFAOYSA-N 2 1 293.430 2.284 10 0 CEAEMP CN(CC[NH+](C)Cc1ccc(F)cc1)CC[N@H+](C)C1CC1 ZINC000187565450 369179608 /nfs/dbraw/zinc/17/96/08/369179608.db2.gz LOBWHQXCSVGJPP-UHFFFAOYSA-N 2 1 293.430 2.284 10 0 CEAEMP CN(CC[NH+](C)Cc1ccc(F)cc1)CC[N@@H+](C)C1CC1 ZINC000187565450 369179612 /nfs/dbraw/zinc/17/96/12/369179612.db2.gz LOBWHQXCSVGJPP-UHFFFAOYSA-N 2 1 293.430 2.284 10 0 CEAEMP CC(C)n1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231461455 370481119 /nfs/dbraw/zinc/48/11/19/370481119.db2.gz JSKFENQDOTZSMZ-CQSZACIVSA-N 2 1 250.390 2.038 10 0 CEAEMP CC(C)n1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231461455 370481125 /nfs/dbraw/zinc/48/11/25/370481125.db2.gz JSKFENQDOTZSMZ-CQSZACIVSA-N 2 1 250.390 2.038 10 0 CEAEMP CO[C@@H](C[NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000638457979 370546282 /nfs/dbraw/zinc/54/62/82/370546282.db2.gz QAVNGSJQFRUXAA-HNNXBMFYSA-N 2 1 265.401 2.376 10 0 CEAEMP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247153365 371071581 /nfs/dbraw/zinc/07/15/81/371071581.db2.gz UJUDRVBBYNQFRJ-LSDHHAIUSA-N 2 1 293.411 2.388 10 0 CEAEMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247153365 371071586 /nfs/dbraw/zinc/07/15/86/371071586.db2.gz UJUDRVBBYNQFRJ-LSDHHAIUSA-N 2 1 293.411 2.388 10 0 CEAEMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000248622557 371224818 /nfs/dbraw/zinc/22/48/18/371224818.db2.gz NPCCWJUTKHIROV-VNHYZAJKSA-N 2 1 271.368 2.317 10 0 CEAEMP C[C@@H](c1cnccn1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000248622557 371224822 /nfs/dbraw/zinc/22/48/22/371224822.db2.gz NPCCWJUTKHIROV-VNHYZAJKSA-N 2 1 271.368 2.317 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3)C[C@@H]12 ZINC000261556387 371646044 /nfs/dbraw/zinc/64/60/44/371646044.db2.gz BZTHVLUXVRWRGO-LERXQTSPSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@@H]12 ZINC000261556387 371646050 /nfs/dbraw/zinc/64/60/50/371646050.db2.gz BZTHVLUXVRWRGO-LERXQTSPSA-N 2 1 252.308 2.134 10 0 CEAEMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261640509 371687357 /nfs/dbraw/zinc/68/73/57/371687357.db2.gz AGMAXEKCMVYKTL-JSGCOSHPSA-N 2 1 290.411 2.126 10 0 CEAEMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261640509 371687367 /nfs/dbraw/zinc/68/73/67/371687367.db2.gz AGMAXEKCMVYKTL-JSGCOSHPSA-N 2 1 290.411 2.126 10 0 CEAEMP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261848446 371749863 /nfs/dbraw/zinc/74/98/63/371749863.db2.gz AYZQXTKDRIRKKA-OAGGEKHMSA-N 2 1 278.371 2.072 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]12 ZINC000261857973 371753470 /nfs/dbraw/zinc/75/34/70/371753470.db2.gz XOOCAYBPABTXKP-BYCMXARLSA-N 2 1 292.810 2.444 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]12 ZINC000261857973 371753475 /nfs/dbraw/zinc/75/34/75/371753475.db2.gz XOOCAYBPABTXKP-BYCMXARLSA-N 2 1 292.810 2.444 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261992620 371792705 /nfs/dbraw/zinc/79/27/05/371792705.db2.gz SZBDQOLLRYEHQW-USXIJHARSA-N 2 1 292.398 2.381 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261927631 371772947 /nfs/dbraw/zinc/77/29/47/371772947.db2.gz LDPWMPKMQJUANO-UAGQMJEPSA-N 2 1 296.418 2.350 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261927631 371772951 /nfs/dbraw/zinc/77/29/51/371772951.db2.gz LDPWMPKMQJUANO-UAGQMJEPSA-N 2 1 296.418 2.350 10 0 CEAEMP C[C@@]1(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039517 371808549 /nfs/dbraw/zinc/80/85/49/371808549.db2.gz OZDDWCYYIAWCKK-CZUORRHYSA-N 2 1 290.411 2.126 10 0 CEAEMP C[C@@]1(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039517 371808558 /nfs/dbraw/zinc/80/85/58/371808558.db2.gz OZDDWCYYIAWCKK-CZUORRHYSA-N 2 1 290.411 2.126 10 0 CEAEMP c1ccc(C[N@@H+]2CCCC[C@H]2CNC2CC[NH2+]CC2)cc1 ZINC000379618825 375153899 /nfs/dbraw/zinc/15/38/99/375153899.db2.gz AQXXASLAFGHKIR-SFHVURJKSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(CN2CCCC[C@H]2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000379618825 375153904 /nfs/dbraw/zinc/15/39/04/375153904.db2.gz AQXXASLAFGHKIR-SFHVURJKSA-N 2 1 287.451 2.383 10 0 CEAEMP CC(C)n1ccnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000565096247 377558195 /nfs/dbraw/zinc/55/81/95/377558195.db2.gz LVFCIVHLRNFWGY-UHFFFAOYSA-N 2 1 250.390 2.025 10 0 CEAEMP CC(C)[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000177256305 542245029 /nfs/dbraw/zinc/24/50/29/542245029.db2.gz OTHQIJGOGXZQIZ-UHFFFAOYSA-N 2 1 293.430 2.284 10 0 CEAEMP CC1(C)CCC[C@@]1(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000094309633 184778300 /nfs/dbraw/zinc/77/83/00/184778300.db2.gz STLJUTGAJYCZLX-ZBFHGGJFSA-N 2 1 265.445 2.064 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC1([NH3+])CCCCC1 ZINC000094462076 184805121 /nfs/dbraw/zinc/80/51/21/184805121.db2.gz HZXIOCMSEXKYJZ-HUUCEWRRSA-N 2 1 265.445 2.207 10 0 CEAEMP CC(C)C[N@@H+](CC1(O)CC[NH2+]CC1)C1CCCC1 ZINC000094848887 184879869 /nfs/dbraw/zinc/87/98/69/184879869.db2.gz MPFZNZHCCQRNIZ-UHFFFAOYSA-N 2 1 254.418 2.002 10 0 CEAEMP C[NH+](C)CC1CC[NH+]([C@]2(CN)CSCC(C)(C)C2)CC1 ZINC000094489380 184809367 /nfs/dbraw/zinc/80/93/67/184809367.db2.gz OGLUQHKJZWKYGJ-MRXNPFEDSA-N 2 1 299.528 2.121 10 0 CEAEMP Cc1cc(N2CC[NH2+]CC23CCCCC3)nc(C)[nH+]1 ZINC000088396645 135054129 /nfs/dbraw/zinc/05/41/29/135054129.db2.gz KHFDOEWULGAEMC-UHFFFAOYSA-N 2 1 260.385 2.206 10 0 CEAEMP CCC[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000093068417 135079086 /nfs/dbraw/zinc/07/90/86/135079086.db2.gz GMYGNXGAXCRMJE-CVEARBPZSA-N 2 1 290.455 2.228 10 0 CEAEMP Nc1c[nH+]ccc1N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000094272738 135085774 /nfs/dbraw/zinc/08/57/74/135085774.db2.gz DGQIDXODQKLMGW-UHFFFAOYSA-N 2 1 289.770 2.039 10 0 CEAEMP CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119106951 394763736 /nfs/dbraw/zinc/76/37/36/394763736.db2.gz RIYMBXMIWBPCFY-FMKPAKJESA-N 2 1 268.445 2.390 10 0 CEAEMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396637478 395217291 /nfs/dbraw/zinc/21/72/91/395217291.db2.gz NZXBMLBZYOCYHY-YDHLFZDLSA-N 2 1 262.397 2.356 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH3+] ZINC000022153141 171360085 /nfs/dbraw/zinc/36/00/85/171360085.db2.gz NTTPRJIGCKIAOX-ZDUSSCGKSA-N 2 1 275.396 2.348 10 0 CEAEMP CC(C)[N@@H+](C)CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022174609 171369902 /nfs/dbraw/zinc/36/99/02/171369902.db2.gz QDLCLKPBUYQFED-UHFFFAOYSA-N 2 1 263.385 2.204 10 0 CEAEMP NC(=O)c1c[nH+]c2ccccc2c1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038051118 174062586 /nfs/dbraw/zinc/06/25/86/174062586.db2.gz DWWYOAFWAAXQFI-JSGCOSHPSA-N 2 1 284.363 2.016 10 0 CEAEMP CC[N@@H+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748441 174393283 /nfs/dbraw/zinc/39/32/83/174393283.db2.gz SDKGCVSLTSNEED-XYPWUTKMSA-N 2 1 259.397 2.229 10 0 CEAEMP CCc1ccc([C@@H](CN2CCC[N@@H+](C)CC2)[NH2+]C)cc1 ZINC000043818219 175112915 /nfs/dbraw/zinc/11/29/15/175112915.db2.gz MQIKXGIMPCYMAP-QGZVFWFLSA-N 2 1 275.440 2.147 10 0 CEAEMP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000043889939 175117544 /nfs/dbraw/zinc/11/75/44/175117544.db2.gz LVQGZNMKOKZLHO-BPLDGKMQSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903808 175122671 /nfs/dbraw/zinc/12/26/71/175122671.db2.gz HBSDFTPGKDHSLH-RRFJBIMHSA-N 2 1 282.428 2.135 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](CCC)CC1CC1 ZINC000043967500 175128473 /nfs/dbraw/zinc/12/84/73/175128473.db2.gz MAMUOBUECJCCQP-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](CCC)CC1CC1 ZINC000043967500 175128475 /nfs/dbraw/zinc/12/84/75/175128475.db2.gz MAMUOBUECJCCQP-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](CCCOC)CCOC ZINC000043970977 175131764 /nfs/dbraw/zinc/13/17/64/175131764.db2.gz QTMAYHYNPZESGE-HZPDHXFCSA-N 2 1 286.460 2.282 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](CCCOC)CCOC ZINC000043970977 175131765 /nfs/dbraw/zinc/13/17/65/175131765.db2.gz QTMAYHYNPZESGE-HZPDHXFCSA-N 2 1 286.460 2.282 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000045134871 175312355 /nfs/dbraw/zinc/31/23/55/175312355.db2.gz DBCDVVVTRLXKLI-AWEZNQCLSA-N 2 1 254.418 2.002 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045172120 175321918 /nfs/dbraw/zinc/32/19/18/175321918.db2.gz BXYRLEODUXWIOC-DOMZBBRYSA-N 2 1 278.444 2.418 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045172120 175321919 /nfs/dbraw/zinc/32/19/19/175321919.db2.gz BXYRLEODUXWIOC-DOMZBBRYSA-N 2 1 278.444 2.418 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373270 175365129 /nfs/dbraw/zinc/36/51/29/175365129.db2.gz LYWMURHBHKTUGG-GUTXKFCHSA-N 2 1 270.417 2.025 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373270 175365130 /nfs/dbraw/zinc/36/51/30/175365130.db2.gz LYWMURHBHKTUGG-GUTXKFCHSA-N 2 1 270.417 2.025 10 0 CEAEMP CC[NH+](CC)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045375862 175366547 /nfs/dbraw/zinc/36/65/47/175366547.db2.gz ORDLFPZWSNDUDG-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C(C)C)C(=O)OC ZINC000045378077 175367401 /nfs/dbraw/zinc/36/74/01/175367401.db2.gz IQFYCCLFTWKAKZ-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C(C)C)C(=O)OC ZINC000045378077 175367402 /nfs/dbraw/zinc/36/74/02/175367402.db2.gz IQFYCCLFTWKAKZ-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCC)C(=O)OCC ZINC000045382375 175370733 /nfs/dbraw/zinc/37/07/33/175370733.db2.gz HXXJUPADLCSQEG-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCC)C(=O)OCC ZINC000045382375 175370734 /nfs/dbraw/zinc/37/07/34/175370734.db2.gz HXXJUPADLCSQEG-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)C(C)C)[NH2+]C ZINC000045383820 175371072 /nfs/dbraw/zinc/37/10/72/175371072.db2.gz GNFMEQKWYBPUKY-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C(C)C)[NH2+]C ZINC000045383820 175371073 /nfs/dbraw/zinc/37/10/73/175371073.db2.gz GNFMEQKWYBPUKY-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045386867 175372707 /nfs/dbraw/zinc/37/27/07/175372707.db2.gz KAJJTHZFPCFMGO-CQSZACIVSA-N 2 1 258.406 2.169 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045387402 175373371 /nfs/dbraw/zinc/37/33/71/175373371.db2.gz NEMCEJJAKOFKIJ-HNNXBMFYSA-N 2 1 270.417 2.312 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392011 175375727 /nfs/dbraw/zinc/37/57/27/175375727.db2.gz NYMDVVDXZDKZRT-HOCLYGCPSA-N 2 1 285.476 2.377 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045392850 175375930 /nfs/dbraw/zinc/37/59/30/175375930.db2.gz VYKMLZNAUSCIDJ-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045392850 175375931 /nfs/dbraw/zinc/37/59/31/175375931.db2.gz VYKMLZNAUSCIDJ-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419970 175378257 /nfs/dbraw/zinc/37/82/57/175378257.db2.gz WYWYYIHSYAJDQB-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CC1CC1)C(=O)OCC ZINC000045419970 175378258 /nfs/dbraw/zinc/37/82/58/175378258.db2.gz WYWYYIHSYAJDQB-MRXNPFEDSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[C@H](CC[NH3+])[NH+]1CCN([C@H](C)c2ccccc2)CC1 ZINC000070988418 176018761 /nfs/dbraw/zinc/01/87/61/176018761.db2.gz HXOPOMRYCVBNAN-NVXWUHKLSA-N 2 1 275.440 2.493 10 0 CEAEMP CC[C@H](CC[NH3+])[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC000070988415 176018767 /nfs/dbraw/zinc/01/87/67/176018767.db2.gz HXOPOMRYCVBNAN-DOTOQJQBSA-N 2 1 275.440 2.493 10 0 CEAEMP CCC[NH2+][C@H]1CCCN(CCCC[N@@H+](C)C(C)C)C1=O ZINC000071034902 176024694 /nfs/dbraw/zinc/02/46/94/176024694.db2.gz JEIHCTLVWSLKBO-HNNXBMFYSA-N 2 1 283.460 2.097 10 0 CEAEMP COCC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000071137985 176036343 /nfs/dbraw/zinc/03/63/43/176036343.db2.gz KZBYBIRBQBRCAZ-INIZCTEOSA-N 2 1 292.423 2.143 10 0 CEAEMP COCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000071137985 176036345 /nfs/dbraw/zinc/03/63/45/176036345.db2.gz KZBYBIRBQBRCAZ-INIZCTEOSA-N 2 1 292.423 2.143 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188049 176061401 /nfs/dbraw/zinc/06/14/01/176061401.db2.gz ZMLHFCYJBUIDGH-YRGRVCCFSA-N 2 1 267.442 2.020 10 0 CEAEMP Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187965 176062198 /nfs/dbraw/zinc/06/21/98/176062198.db2.gz DBMRNSSNONXJMR-MJBXVCDLSA-N 2 1 281.469 2.328 10 0 CEAEMP CCc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188681 176063726 /nfs/dbraw/zinc/06/37/26/176063726.db2.gz ITXQLCSCSSFLNE-WBVHZDCISA-N 2 1 275.440 2.132 10 0 CEAEMP CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188953 176063889 /nfs/dbraw/zinc/06/38/89/176063889.db2.gz YCIUODDSONHDOM-QKPAOTATSA-N 2 1 267.461 2.022 10 0 CEAEMP CC[NH2+]Cc1ccccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190061 176065557 /nfs/dbraw/zinc/06/55/57/176065557.db2.gz ZOVZMTQPCDVLQK-CQSZACIVSA-N 2 1 261.413 2.184 10 0 CEAEMP C[N@H+](Cc1ccc2c(c1)CCN2)C[C@@H]1CC[NH+](C)C1 ZINC000071190885 176068171 /nfs/dbraw/zinc/06/81/71/176068171.db2.gz JGWSZZOLDVFBDX-CQSZACIVSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCN2)C[C@@H]1CC[N@H+](C)C1 ZINC000071190885 176068172 /nfs/dbraw/zinc/06/81/72/176068172.db2.gz JGWSZZOLDVFBDX-CQSZACIVSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCN2)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190885 176068174 /nfs/dbraw/zinc/06/81/74/176068174.db2.gz JGWSZZOLDVFBDX-CQSZACIVSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191379 176069407 /nfs/dbraw/zinc/06/94/07/176069407.db2.gz KGFLDFOJWAAJTR-PMPSAXMXSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC[NH2+]CC1(CN(C)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191436 176070723 /nfs/dbraw/zinc/07/07/23/176070723.db2.gz TUQTWZZYWGVARR-MRXNPFEDSA-N 2 1 281.488 2.430 10 0 CEAEMP CC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192071 176073870 /nfs/dbraw/zinc/07/38/70/176073870.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 2 1 279.428 2.081 10 0 CEAEMP C[NH2+][C@@H]1CCCN(CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000071198157 176077096 /nfs/dbraw/zinc/07/70/96/176077096.db2.gz XJBPBQUAZAFAGS-QGZVFWFLSA-N 2 1 275.440 2.192 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263440 176096497 /nfs/dbraw/zinc/09/64/97/176096497.db2.gz OZSBSIYMIROJLL-OAHLLOKOSA-N 2 1 266.360 2.285 10 0 CEAEMP CCC[NH2+]CCCCCC[N@H+]1CCCN(C)CC1 ZINC000071287549 176109547 /nfs/dbraw/zinc/10/95/47/176109547.db2.gz DLDVULRBCKUIFF-UHFFFAOYSA-N 2 1 255.450 2.184 10 0 CEAEMP CN(C)CC[N@@H+](C)CCCCCC[NH2+]C(C)(C)C ZINC000071290141 176110721 /nfs/dbraw/zinc/11/07/21/176110721.db2.gz YHYDFCVRENCAFK-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP CN(CCCCCC[NH2+]C(C)(C)C)CC[NH+](C)C ZINC000071290141 176110722 /nfs/dbraw/zinc/11/07/22/176110722.db2.gz YHYDFCVRENCAFK-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP C[NH+](C)CC[C@H]1CCCC[N@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302109 177250456 /nfs/dbraw/zinc/25/04/56/177250456.db2.gz BVLCLOZUZCYHGR-GOSISDBHSA-N 3 1 289.467 2.494 10 0 CEAEMP CN(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302109 177250457 /nfs/dbraw/zinc/25/04/57/177250457.db2.gz BVLCLOZUZCYHGR-GOSISDBHSA-N 2 1 289.467 2.494 10 0 CEAEMP CN(C)CC[C@H]1CCCC[N@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302109 177250460 /nfs/dbraw/zinc/25/04/60/177250460.db2.gz BVLCLOZUZCYHGR-GOSISDBHSA-N 2 1 289.467 2.494 10 0 CEAEMP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261975717 273479986 /nfs/dbraw/zinc/47/99/86/273479986.db2.gz RARJMKZMIIPWFD-ZACQAIPSSA-N 2 1 296.455 2.082 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccs2)CC1 ZINC000179515831 278395437 /nfs/dbraw/zinc/39/54/37/278395437.db2.gz SQPJMEKSRKSKRN-CYBMUJFWSA-N 2 1 282.453 2.273 10 0 CEAEMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000581005709 322361164 /nfs/dbraw/zinc/36/11/64/322361164.db2.gz CVMUHJQPUZCQND-HOTGVXAUSA-N 3 1 267.461 2.086 10 0 CEAEMP CCC[NH2+]CC(CC)(CC)C[N@H+]1CCC[C@H]1CO ZINC000051254908 519908992 /nfs/dbraw/zinc/90/89/92/519908992.db2.gz UYQFRDBPGYJIEF-AWEZNQCLSA-N 2 1 256.434 2.249 10 0 CEAEMP CCC[NH2+]CCCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571564 519911977 /nfs/dbraw/zinc/91/19/77/519911977.db2.gz YYPIHFQUGBRHDC-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](CCOC)C1CC1 ZINC000052542433 519971967 /nfs/dbraw/zinc/97/19/67/519971967.db2.gz MNFOQURZLJTAQX-UHFFFAOYSA-N 2 1 266.385 2.390 10 0 CEAEMP CCC[NH2+]Cc1sc(N2CC[NH+](C)CC2)nc1CCC ZINC000054995338 519974923 /nfs/dbraw/zinc/97/49/23/519974923.db2.gz DBVPDKFYQPAYGV-UHFFFAOYSA-N 2 1 296.484 2.347 10 0 CEAEMP CC[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc1C ZINC000054998283 520033593 /nfs/dbraw/zinc/03/35/93/520033593.db2.gz OVAUUZICYITNKZ-GFCCVEGCSA-N 2 1 282.457 2.091 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636757 520041697 /nfs/dbraw/zinc/04/16/97/520041697.db2.gz CZKHFRUFZMFISR-LZWOXQAQSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636757 520041707 /nfs/dbraw/zinc/04/17/07/520041707.db2.gz CZKHFRUFZMFISR-LZWOXQAQSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068646981 520044031 /nfs/dbraw/zinc/04/40/31/520044031.db2.gz NQUBRKKVRNCPHE-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068646981 520044035 /nfs/dbraw/zinc/04/40/35/520044035.db2.gz NQUBRKKVRNCPHE-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](CCC)CC1CC1)C(N)=O ZINC000068632039 520112924 /nfs/dbraw/zinc/11/29/24/520112924.db2.gz MCDVQEYQKPSSLU-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](CCC)CC1CC1)C(N)=O ZINC000068632039 520112932 /nfs/dbraw/zinc/11/29/32/520112932.db2.gz MCDVQEYQKPSSLU-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638264 520114430 /nfs/dbraw/zinc/11/44/30/520114430.db2.gz RXFVJFVIMBRNMP-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000069262809 520956731 /nfs/dbraw/zinc/95/67/31/520956731.db2.gz AGAZXZNKXSSWAL-INIZCTEOSA-N 2 1 266.429 2.267 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]CC(C)C)no1)[C@H](C)COC ZINC000052504854 521289373 /nfs/dbraw/zinc/28/93/73/521289373.db2.gz ARLWZVNZZQGWJA-CYBMUJFWSA-N 2 1 283.416 2.277 10 0 CEAEMP CCCc1nc(N2CC[NH+](CC)CC2)sc1C[NH2+]CC ZINC000054994805 521531870 /nfs/dbraw/zinc/53/18/70/521531870.db2.gz SXKFKDOCCYQHBW-UHFFFAOYSA-N 2 1 296.484 2.347 10 0 CEAEMP CCc1nc(N2CC[NH+](C)CC2)sc1C[NH2+]C(C)(C)C ZINC000054995380 522386381 /nfs/dbraw/zinc/38/63/81/522386381.db2.gz RNDPGDKRRYYBKA-UHFFFAOYSA-N 2 1 296.484 2.345 10 0 CEAEMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052544996 519661788 /nfs/dbraw/zinc/66/17/88/519661788.db2.gz MWRVKJJBSZLFPQ-OLZOCXBDSA-N 2 1 268.426 2.465 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000063188664 519686285 /nfs/dbraw/zinc/68/62/85/519686285.db2.gz WAVGBBZLBPIEPP-OWCLPIDISA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504447 519728216 /nfs/dbraw/zinc/72/82/16/519728216.db2.gz CMOCEZVOVXQNHK-ZDUSSCGKSA-N 2 1 281.448 2.143 10 0 CEAEMP CC(C)[NH2+]Cc1coc(C[NH+]2CCSCC2)c1 ZINC000052425665 519728899 /nfs/dbraw/zinc/72/88/99/519728899.db2.gz XFMMXEWOZOYMEM-UHFFFAOYSA-N 2 1 254.399 2.326 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711768 519742746 /nfs/dbraw/zinc/74/27/46/519742746.db2.gz RNMJZCUNWVGZRU-OAHLLOKOSA-N 2 1 268.445 2.249 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069311307 519746147 /nfs/dbraw/zinc/74/61/47/519746147.db2.gz NVNZFAHEMOEVOY-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069311307 519746148 /nfs/dbraw/zinc/74/61/48/519746148.db2.gz NVNZFAHEMOEVOY-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[C@@H](C[NH2+]C1CC1)OCC[C@@H]1CCC[N@H+]1C ZINC000052672823 519794760 /nfs/dbraw/zinc/79/47/60/519794760.db2.gz VDAMRJJPJXCHET-LSDHHAIUSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH+]1CCC([N@H+]2Cc3ccc(N)cc3C2)CC1 ZINC000049559829 519844739 /nfs/dbraw/zinc/84/47/39/519844739.db2.gz SGQKCUZAYXZCJE-UHFFFAOYSA-N 2 1 259.397 2.459 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@@H+](CC)C1 ZINC000054628297 519908385 /nfs/dbraw/zinc/90/83/85/519908385.db2.gz RKAOOAWCIFFOKE-MGNMYUMUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[NH2+]C1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000051086774 519908612 /nfs/dbraw/zinc/90/86/12/519908612.db2.gz XHBANDHEPIYHPL-HNNXBMFYSA-N 2 1 260.381 2.064 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H](CC)C2)cc1 ZINC000052477316 519995162 /nfs/dbraw/zinc/99/51/62/519995162.db2.gz FHWSAPRDHDKVPV-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H](CC)C2)cc1 ZINC000052477316 519995165 /nfs/dbraw/zinc/99/51/65/519995165.db2.gz FHWSAPRDHDKVPV-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCCSCC2)o1 ZINC000052371042 519996287 /nfs/dbraw/zinc/99/62/87/519996287.db2.gz OVSUCPQXLZZDAE-UHFFFAOYSA-N 2 1 254.399 2.328 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](CC)CCOC)cc1 ZINC000052542715 519999563 /nfs/dbraw/zinc/99/95/63/519999563.db2.gz LEVAPXOZYWAIGH-UHFFFAOYSA-N 2 1 280.412 2.143 10 0 CEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](CCN(C)C)CC(C)C ZINC000053871308 520118328 /nfs/dbraw/zinc/11/83/28/520118328.db2.gz SUHZGVHXPQFFOD-HZPDHXFCSA-N 2 1 269.477 2.284 10 0 CEAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](CCN(C)C)CC(C)C ZINC000053871308 520118335 /nfs/dbraw/zinc/11/83/35/520118335.db2.gz SUHZGVHXPQFFOD-HZPDHXFCSA-N 2 1 269.477 2.284 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637472 520137524 /nfs/dbraw/zinc/13/75/24/520137524.db2.gz WHLXKHOOGPHOIQ-MFQJDOPTSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637472 520137528 /nfs/dbraw/zinc/13/75/28/520137528.db2.gz WHLXKHOOGPHOIQ-MFQJDOPTSA-N 2 1 283.460 2.129 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](Cc1cccs1)C1CC1 ZINC000062741068 520516847 /nfs/dbraw/zinc/51/68/47/520516847.db2.gz JSFMBLNQGDMWFS-ZDUSSCGKSA-N 2 1 268.426 2.466 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@H+](Cc1ccsc1)C1CC1 ZINC000062739693 520517854 /nfs/dbraw/zinc/51/78/54/520517854.db2.gz FCXAWBYMTGDCNP-CYBMUJFWSA-N 2 1 254.399 2.076 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](Cc1ccsc1)C1CC1 ZINC000062739693 520517860 /nfs/dbraw/zinc/51/78/60/520517860.db2.gz FCXAWBYMTGDCNP-CYBMUJFWSA-N 2 1 254.399 2.076 10 0 CEAEMP CCOc1ccc([C@@H]([NH3+])CN(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000053244974 521229125 /nfs/dbraw/zinc/22/91/25/521229125.db2.gz XAXOFPHVEIOXDC-WBVHZDCISA-N 2 1 291.439 2.111 10 0 CEAEMP CCCC[C@](CC)(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069381021 521252805 /nfs/dbraw/zinc/25/28/05/521252805.db2.gz YWPYRYVDJIJWJM-HZPDHXFCSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1cccnc1C(N)=[NH2+] ZINC000061658291 521559525 /nfs/dbraw/zinc/55/95/25/521559525.db2.gz PYCZROZQQGFTRW-UHFFFAOYSA-N 2 1 278.400 2.003 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)[C@@]1(C[NH3+])CCCSC1 ZINC000061590244 521562560 /nfs/dbraw/zinc/56/25/60/521562560.db2.gz KXYFXKNSLASOCE-CQSZACIVSA-N 2 1 274.474 2.348 10 0 CEAEMP CCC(CC)[N@H+](CCOC)[C@@]1(C[NH3+])CCCSC1 ZINC000061590244 521562558 /nfs/dbraw/zinc/56/25/58/521562558.db2.gz KXYFXKNSLASOCE-CQSZACIVSA-N 2 1 274.474 2.348 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553826 521650996 /nfs/dbraw/zinc/65/09/96/521650996.db2.gz XEOFHIGVKUYJAD-ZNMIVQPWSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553826 521650999 /nfs/dbraw/zinc/65/09/99/521650999.db2.gz XEOFHIGVKUYJAD-ZNMIVQPWSA-N 3 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553826 521651000 /nfs/dbraw/zinc/65/10/00/521651000.db2.gz XEOFHIGVKUYJAD-ZNMIVQPWSA-N 3 1 255.450 2.037 10 0 CEAEMP CCC[N@@H+](CCOc1ccc(C[NH2+]C)cc1)CCN(C)C ZINC000052544204 521669449 /nfs/dbraw/zinc/66/94/49/521669449.db2.gz GBPXRFPAHVGTKY-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CCCN(CCOc1ccc(C[NH2+]C)cc1)CC[NH+](C)C ZINC000052544204 521669453 /nfs/dbraw/zinc/66/94/53/521669453.db2.gz GBPXRFPAHVGTKY-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CC[NH+]1CCN(c2nc(C)c(C[NH2+]C(C)C)s2)CC1 ZINC000054994819 521701118 /nfs/dbraw/zinc/70/11/18/521701118.db2.gz QQTWXMRAWYGOBT-UHFFFAOYSA-N 2 1 282.457 2.091 10 0 CEAEMP CC[NH+]1CCN(c2nc3c(s2)[C@H]([NH3+])CC(C)(C)C3)CC1 ZINC000054863979 521701162 /nfs/dbraw/zinc/70/11/62/521701162.db2.gz WZDMLSKHNYLEIE-LLVKDONJSA-N 2 1 294.468 2.257 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1C[C@@H]1CC[N@H+](C)C1 ZINC000052853036 522487936 /nfs/dbraw/zinc/48/79/36/522487936.db2.gz XMDXTKKUIXMOME-LLVKDONJSA-N 2 1 258.369 2.133 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1C[C@@H]1CC[N@@H+](C)C1 ZINC000052853036 522487944 /nfs/dbraw/zinc/48/79/44/522487944.db2.gz XMDXTKKUIXMOME-LLVKDONJSA-N 2 1 258.369 2.133 10 0 CEAEMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000063121491 522660118 /nfs/dbraw/zinc/66/01/18/522660118.db2.gz HAORFYLAAPSBBY-MSOLQXFVSA-N 2 1 288.435 2.308 10 0 CEAEMP C[N@@H+](CCC[C@H]1CCCC[NH2+]1)C[C@@H]1CCCCO1 ZINC000050953264 522789189 /nfs/dbraw/zinc/78/91/89/522789189.db2.gz GVDDMKUBMAOHFV-CABCVRRESA-N 2 1 254.418 2.410 10 0 CEAEMP COCCC[N@H+](CCOC)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052543175 523257133 /nfs/dbraw/zinc/25/71/33/523257133.db2.gz JXYXOIUNNLAMFA-HNNXBMFYSA-N 2 1 288.476 2.384 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052543175 523257140 /nfs/dbraw/zinc/25/71/40/523257140.db2.gz JXYXOIUNNLAMFA-HNNXBMFYSA-N 2 1 288.476 2.384 10 0 CEAEMP CC[C@@H]1CCC[N@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052375176 523266582 /nfs/dbraw/zinc/26/65/82/523266582.db2.gz XQVCCVAQZMHHAG-CQSZACIVSA-N 2 1 279.432 2.041 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570904 523343558 /nfs/dbraw/zinc/34/35/58/523343558.db2.gz ABCCAKXZNCJHDW-FZMZJTMJSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570904 523343566 /nfs/dbraw/zinc/34/35/66/523343566.db2.gz ABCCAKXZNCJHDW-FZMZJTMJSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571124 523354267 /nfs/dbraw/zinc/35/42/67/523354267.db2.gz QGXUDVXEZJGVOT-GUTXKFCHSA-N 2 1 254.418 2.406 10 0 CEAEMP CN1CCC([N@@H+](C)Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052419939 523358883 /nfs/dbraw/zinc/35/88/83/523358883.db2.gz SAXKXWNCINYCET-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CN(Cc1ccccc1C[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000052419939 523358894 /nfs/dbraw/zinc/35/88/94/523358894.db2.gz SAXKXWNCINYCET-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068697255 523486849 /nfs/dbraw/zinc/48/68/49/523486849.db2.gz QAKNVMWUAGFIHS-GXTWGEPZSA-N 2 1 277.412 2.279 10 0 CEAEMP CCn1cc[nH+]c1N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000053703069 523547809 /nfs/dbraw/zinc/54/78/09/523547809.db2.gz SBNNHHBBQFHLET-CQSZACIVSA-N 2 1 264.417 2.365 10 0 CEAEMP C[N@@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CCOCC1 ZINC000055022947 523624416 /nfs/dbraw/zinc/62/44/16/523624416.db2.gz DFHBWEKMBBNGKC-AWEZNQCLSA-N 2 1 261.369 2.165 10 0 CEAEMP COCC[NH+](CCOC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052571394 523720064 /nfs/dbraw/zinc/72/00/64/523720064.db2.gz SQCHDJNAVJKPJK-UHFFFAOYSA-N 2 1 298.427 2.181 10 0 CEAEMP COCC[N@H+]([C@@H](C)COC)[C@@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C ZINC000068628447 523780024 /nfs/dbraw/zinc/78/00/24/523780024.db2.gz DYWMTXUQAVHHIL-YHUYYLMFSA-N 2 1 286.460 2.123 10 0 CEAEMP COCC[N@@H+]([C@@H](C)COC)[C@@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C ZINC000068628447 523780028 /nfs/dbraw/zinc/78/00/28/523780028.db2.gz DYWMTXUQAVHHIL-YHUYYLMFSA-N 2 1 286.460 2.123 10 0 CEAEMP C[N@H+]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1(C)C ZINC000068812070 523916665 /nfs/dbraw/zinc/91/66/65/523916665.db2.gz XMTUAHHMEVCPFZ-AWEZNQCLSA-N 2 1 287.407 2.459 10 0 CEAEMP COc1ccc(C[N@@H+](C)Cc2ccnc(C[NH3+])c2)cc1 ZINC000068749841 524007099 /nfs/dbraw/zinc/00/70/99/524007099.db2.gz SMFHJYQNYIUFTP-UHFFFAOYSA-N 2 1 271.364 2.181 10 0 CEAEMP C[NH+](C)CC1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052883547 524049828 /nfs/dbraw/zinc/04/98/28/524049828.db2.gz WQYOETYTLBFNLA-KRWDZBQOSA-N 2 1 275.440 2.134 10 0 CEAEMP C[NH+](C)CCCn1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000052852065 524058113 /nfs/dbraw/zinc/05/81/13/524058113.db2.gz SPCIGAXUISDFQP-UHFFFAOYSA-N 2 1 258.369 2.448 10 0 CEAEMP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125544 524415247 /nfs/dbraw/zinc/41/52/47/524415247.db2.gz IYYGACLSQZHPJF-VGWMRTNUSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000068629671 524428458 /nfs/dbraw/zinc/42/84/58/524428458.db2.gz JCWDEBODAJDHOH-QBPKDAKJSA-N 2 1 279.472 2.310 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)OCC[C@H]1CCC[N@H+]1C ZINC000052673544 524458222 /nfs/dbraw/zinc/45/82/22/524458222.db2.gz PHENOPYGHUDDPT-DZGCQCFKSA-N 2 1 254.418 2.408 10 0 CEAEMP Cc1cccc(OCC[N@@H+]2CCC[NH2+]C(C)(C)C2)c1 ZINC000062660561 524740461 /nfs/dbraw/zinc/74/04/61/524740461.db2.gz MIKDJKJJJSLOBU-UHFFFAOYSA-N 2 1 262.397 2.448 10 0 CEAEMP Cc1cccc(OCC[N@H+]2CCC[NH2+]C(C)(C)C2)c1 ZINC000062660561 524740475 /nfs/dbraw/zinc/74/04/75/524740475.db2.gz MIKDJKJJJSLOBU-UHFFFAOYSA-N 2 1 262.397 2.448 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000052543577 524940659 /nfs/dbraw/zinc/94/06/59/524940659.db2.gz HEJGQRMVVPHOLR-CYBMUJFWSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087218 525099553 /nfs/dbraw/zinc/09/95/53/525099553.db2.gz XYPVQOAPDNITGI-LZWOXQAQSA-N 2 1 274.408 2.168 10 0 CEAEMP C[C@](CCCC[N@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000069516647 525138274 /nfs/dbraw/zinc/13/82/74/525138274.db2.gz CYNWIVSPTMSWBE-QGZVFWFLSA-N 2 1 295.471 2.275 10 0 CEAEMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000151315248 526190377 /nfs/dbraw/zinc/19/03/77/526190377.db2.gz QYKFFWJHFQTJSS-WMZOPIPTSA-N 2 1 288.435 2.419 10 0 CEAEMP c1cc(C[NH2+]C2CC2)c(C[N@H+]2CCCSCC2)o1 ZINC000052371031 526426469 /nfs/dbraw/zinc/42/64/69/526426469.db2.gz YSBAISURKVDEPI-UHFFFAOYSA-N 2 1 266.410 2.471 10 0 CEAEMP c1ccc2c(c1)C[NH2+]C[C@@H]2N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069267293 526506597 /nfs/dbraw/zinc/50/65/97/526506597.db2.gz HVFPGTORISNUGX-WBVHZDCISA-N 2 1 271.408 2.001 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1C[C@H]1CCC[N@H+](C)C1 ZINC000052854147 527123716 /nfs/dbraw/zinc/12/37/16/527123716.db2.gz RZSYKMDHRARYBK-LBPRGKRZSA-N 2 1 258.369 2.269 10 0 CEAEMP [NH3+]C[C@@H]1CCCCC[C@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758168 527208109 /nfs/dbraw/zinc/20/81/09/527208109.db2.gz KKXNLLPZCNZCDX-RRFJBIMHSA-N 2 1 254.418 2.131 10 0 CEAEMP [NH3+]C[C@H](C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062038420 527224838 /nfs/dbraw/zinc/22/48/38/527224838.db2.gz KCKFQRCPDKGJAE-QGZVFWFLSA-N 2 1 279.472 2.312 10 0 CEAEMP [NH3+]Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000052417310 527253577 /nfs/dbraw/zinc/25/35/77/527253577.db2.gz ATUXLIMDMJPRGM-UHFFFAOYSA-N 2 1 271.364 2.061 10 0 CEAEMP CC(C)(C[NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399027114 628769930 /nfs/dbraw/zinc/76/99/30/628769930.db2.gz JYUWQQNAIKRESJ-UHFFFAOYSA-N 2 1 276.424 2.011 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553161 628936387 /nfs/dbraw/zinc/93/63/87/628936387.db2.gz SESSNRWAFOAXPJ-UHOSZYNNSA-N 2 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553161 628936390 /nfs/dbraw/zinc/93/63/90/628936390.db2.gz SESSNRWAFOAXPJ-UHOSZYNNSA-N 3 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553161 628936394 /nfs/dbraw/zinc/93/63/94/628936394.db2.gz SESSNRWAFOAXPJ-UHOSZYNNSA-N 3 1 299.462 2.239 10 0 CEAEMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000261557324 628937877 /nfs/dbraw/zinc/93/78/77/628937877.db2.gz CNCHXRSRWVLMAY-TUVASFSCSA-N 2 1 252.402 2.018 10 0 CEAEMP Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)nc(C)[nH+]1 ZINC000261877639 629294137 /nfs/dbraw/zinc/29/41/37/629294137.db2.gz ZWHWFRJITRNMJP-OAHLLOKOSA-N 2 1 268.364 2.392 10 0 CEAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]cc3Cl)C[C@H]21 ZINC000228552761 639642709 /nfs/dbraw/zinc/64/27/09/639642709.db2.gz BUUOTDGUJROTHQ-CKYFFXLPSA-N 2 1 251.761 2.299 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136203792 344384282 /nfs/dbraw/zinc/38/42/82/344384282.db2.gz LVLPNJCIRODBEI-KRWDZBQOSA-N 2 1 295.471 2.097 10 0 CEAEMP C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307637302 344723618 /nfs/dbraw/zinc/72/36/18/344723618.db2.gz WRLXYLZYLLOXFD-AHCXZYCDSA-N 2 1 287.451 2.461 10 0 CEAEMP C[N@@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328634041 344757503 /nfs/dbraw/zinc/75/75/03/344757503.db2.gz MKUOHZJSCLYNEK-ZDUSSCGKSA-N 2 1 295.390 2.454 10 0 CEAEMP C[N@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328634041 344757505 /nfs/dbraw/zinc/75/75/05/344757505.db2.gz MKUOHZJSCLYNEK-ZDUSSCGKSA-N 2 1 295.390 2.454 10 0 CEAEMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@@](C)(O)c1ccccc1 ZINC000328628021 344756091 /nfs/dbraw/zinc/75/60/91/344756091.db2.gz GUKVZQXAUGKBDP-CRAIPNDOSA-N 2 1 299.418 2.285 10 0 CEAEMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@@](C)(O)c1ccccc1 ZINC000328628021 344756092 /nfs/dbraw/zinc/75/60/92/344756092.db2.gz GUKVZQXAUGKBDP-CRAIPNDOSA-N 2 1 299.418 2.285 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623925 344756724 /nfs/dbraw/zinc/75/67/24/344756724.db2.gz CDMJPUBARHXIKJ-WBVHZDCISA-N 2 1 299.418 2.419 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623925 344756726 /nfs/dbraw/zinc/75/67/26/344756726.db2.gz CDMJPUBARHXIKJ-WBVHZDCISA-N 2 1 299.418 2.419 10 0 CEAEMP C[C@@H]1C[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C[C@H](C)O1 ZINC000584640945 344972181 /nfs/dbraw/zinc/97/21/81/344972181.db2.gz WIKJZUNLRCPHQY-FICVDOATSA-N 2 1 254.418 2.218 10 0 CEAEMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000063002195 362741225 /nfs/dbraw/zinc/74/12/25/362741225.db2.gz MJFONJPBMDTOLK-HOTGVXAUSA-N 2 1 262.397 2.184 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000063002195 362741227 /nfs/dbraw/zinc/74/12/27/362741227.db2.gz MJFONJPBMDTOLK-HOTGVXAUSA-N 2 1 262.397 2.184 10 0 CEAEMP C[N@H+]1CCC[C@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572141 179097069 /nfs/dbraw/zinc/09/70/69/179097069.db2.gz HRGGAZWSDOUBBM-LBPRGKRZSA-N 2 1 276.428 2.093 10 0 CEAEMP CC[N@H+]1CCC[C@@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572792 179098381 /nfs/dbraw/zinc/09/83/81/179098381.db2.gz SCRMBBQXFNQEJD-CYBMUJFWSA-N 2 1 290.455 2.483 10 0 CEAEMP CCCCOCC[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626296 179107301 /nfs/dbraw/zinc/10/73/01/179107301.db2.gz INIDHKPLFATZTP-DZGCQCFKSA-N 2 1 254.418 2.266 10 0 CEAEMP C[N@H+]1CC[C@@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085607097 179101738 /nfs/dbraw/zinc/10/17/38/179101738.db2.gz ICLLHNOCNDJQIJ-CYBMUJFWSA-N 2 1 274.412 2.063 10 0 CEAEMP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000085616492 179103837 /nfs/dbraw/zinc/10/38/37/179103837.db2.gz ZPNBMDDGZAUWKU-MRXNPFEDSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000085616492 179103839 /nfs/dbraw/zinc/10/38/39/179103839.db2.gz ZPNBMDDGZAUWKU-MRXNPFEDSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[NH2+]CC[C@@H]2C)c1C ZINC000085619919 179105691 /nfs/dbraw/zinc/10/56/91/179105691.db2.gz NUOLWGJIKUNPMQ-OLZOCXBDSA-N 2 1 277.412 2.279 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1Cc1cnn(C)c1 ZINC000085621186 179105996 /nfs/dbraw/zinc/10/59/96/179105996.db2.gz CJEOEBYTNBFCHE-AWEZNQCLSA-N 2 1 276.428 2.307 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1Cc1cnn(C)c1 ZINC000085621186 179105999 /nfs/dbraw/zinc/10/59/99/179105999.db2.gz CJEOEBYTNBFCHE-AWEZNQCLSA-N 2 1 276.428 2.307 10 0 CEAEMP CC(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085671495 179110891 /nfs/dbraw/zinc/11/08/91/179110891.db2.gz MUCHKUVUHSVGLK-XGUBFFRZSA-N 2 1 268.445 2.366 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086143099 179237278 /nfs/dbraw/zinc/23/72/78/179237278.db2.gz KEBYFJSFMMHXEE-OAHLLOKOSA-N 2 1 265.445 2.079 10 0 CEAEMP CC(C)[C@@H]1CN[C@@H](C)C[N@H+]1CCCC[NH+](C)C(C)C ZINC000086174338 179245888 /nfs/dbraw/zinc/24/58/88/179245888.db2.gz FCXGWJIUFHYBIB-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1CN[C@@H](C)C[NH+]1CCCC[N@H+](C)C(C)C ZINC000086174338 179245889 /nfs/dbraw/zinc/24/58/89/179245889.db2.gz FCXGWJIUFHYBIB-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1CN[C@@H](C)C[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086174338 179245890 /nfs/dbraw/zinc/24/58/90/179245890.db2.gz FCXGWJIUFHYBIB-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1CCCC[N@H+](C)C(C)C ZINC000086174338 179245892 /nfs/dbraw/zinc/24/58/92/179245892.db2.gz FCXGWJIUFHYBIB-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1CCCC[N@@H+](C)C(C)C ZINC000086174338 179245893 /nfs/dbraw/zinc/24/58/93/179245893.db2.gz FCXGWJIUFHYBIB-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1CNCC[N@H+]1CCCC[NH+](C)C(C)C ZINC000086177632 179246417 /nfs/dbraw/zinc/24/64/17/179246417.db2.gz YWFLQNGWPNNEHX-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1CNCC[NH+]1CCCC[N@H+](C)C(C)C ZINC000086177632 179246418 /nfs/dbraw/zinc/24/64/18/179246418.db2.gz YWFLQNGWPNNEHX-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1CNCC[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086177632 179246422 /nfs/dbraw/zinc/24/64/22/179246422.db2.gz YWFLQNGWPNNEHX-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]CCN1CCCC[N@H+](C)C(C)C ZINC000086177632 179246423 /nfs/dbraw/zinc/24/64/23/179246423.db2.gz YWFLQNGWPNNEHX-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]CCN1CCCC[N@@H+](C)C(C)C ZINC000086177632 179246424 /nfs/dbraw/zinc/24/64/24/179246424.db2.gz YWFLQNGWPNNEHX-HNNXBMFYSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CN2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086146539 179238944 /nfs/dbraw/zinc/23/89/44/179238944.db2.gz SYEOVLQVNIEKDI-CABCVRRESA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@]1(C)CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146732 179239711 /nfs/dbraw/zinc/23/97/11/179239711.db2.gz WQANWYPQCWMFEV-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@]1(C)C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146732 179239712 /nfs/dbraw/zinc/23/97/12/179239712.db2.gz WQANWYPQCWMFEV-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146732 179239714 /nfs/dbraw/zinc/23/97/14/179239714.db2.gz WQANWYPQCWMFEV-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@]1(C)C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146732 179239715 /nfs/dbraw/zinc/23/97/15/179239715.db2.gz WQANWYPQCWMFEV-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@]1(C)C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146732 179239718 /nfs/dbraw/zinc/23/97/18/179239718.db2.gz WQANWYPQCWMFEV-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224023 179253641 /nfs/dbraw/zinc/25/36/41/179253641.db2.gz NZYRDGAJAQXFBV-BZUAXINKSA-N 2 1 281.488 2.425 10 0 CEAEMP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259230 179258754 /nfs/dbraw/zinc/25/87/54/179258754.db2.gz SOYSJAVPAJWXBN-HUUCEWRRSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1CN(C[C@@H]2CCCC[N@H+]2C)[C@H](C(C)C)C[NH2+]1 ZINC000086259354 179258762 /nfs/dbraw/zinc/25/87/62/179258762.db2.gz JIHBLLIWNYCOFS-JYJNAYRXSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259583 179258835 /nfs/dbraw/zinc/25/88/35/179258835.db2.gz ZZWYFTQCNFYYNX-OLMNPRSZSA-N 2 1 285.435 2.258 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260741 179260677 /nfs/dbraw/zinc/26/06/77/179260677.db2.gz BLMSOODKICCGGJ-DJIMGWMZSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[C@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269673 179261891 /nfs/dbraw/zinc/26/18/91/179261891.db2.gz MFFDPGGKXWBQEK-HNNXBMFYSA-N 2 1 290.407 2.074 10 0 CEAEMP CC[C@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269673 179261894 /nfs/dbraw/zinc/26/18/94/179261894.db2.gz MFFDPGGKXWBQEK-HNNXBMFYSA-N 2 1 290.407 2.074 10 0 CEAEMP CC1(C)C[N@H+](CCc2ccccc2F)CCC[NH2+]1 ZINC000086285739 179263777 /nfs/dbraw/zinc/26/37/77/179263777.db2.gz CURFVGDOOZLSIC-UHFFFAOYSA-N 2 1 250.361 2.442 10 0 CEAEMP CC1(C)C[N@@H+](CCc2ccccc2F)CCC[NH2+]1 ZINC000086285739 179263779 /nfs/dbraw/zinc/26/37/79/179263779.db2.gz CURFVGDOOZLSIC-UHFFFAOYSA-N 2 1 250.361 2.442 10 0 CEAEMP C[C@@H]([C@@H]1CCCO1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287094 179264093 /nfs/dbraw/zinc/26/40/93/179264093.db2.gz BGLWGTDPGPQTDL-KBPBESRZSA-N 2 1 252.402 2.162 10 0 CEAEMP C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259325 179257597 /nfs/dbraw/zinc/25/75/97/179257597.db2.gz HYWHHBMJVWYXIV-CVEARBPZSA-N 2 1 279.472 2.467 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CCC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC000086291612 179266096 /nfs/dbraw/zinc/26/60/96/179266096.db2.gz FGUJEBTYRXNOAC-HUUCEWRRSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC1(CC)CN(C[C@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291734 179266672 /nfs/dbraw/zinc/26/66/72/179266672.db2.gz SCLJCMJCELPXNU-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)CN(C(C)C)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819461 179348154 /nfs/dbraw/zinc/34/81/54/179348154.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@H+](C(C)C)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819461 179348155 /nfs/dbraw/zinc/34/81/55/179348155.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@@H+](C(C)C)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819461 179348158 /nfs/dbraw/zinc/34/81/58/179348158.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C(C)C)[C@@]1(CN)CCC[N@H+](C)CC1 ZINC000086819461 179348160 /nfs/dbraw/zinc/34/81/60/179348160.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C(C)C)[C@@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819461 179348163 /nfs/dbraw/zinc/34/81/63/179348163.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP Cc1cccc(CN(C)[C@@]2(C[NH3+])CCC[N@@H+](C)CC2)c1 ZINC000086819347 179348478 /nfs/dbraw/zinc/34/84/78/179348478.db2.gz DBPYICQKTDMFMZ-KRWDZBQOSA-N 2 1 275.440 2.240 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(CC(C)C)C2CC2)CC1 ZINC000086848078 179356457 /nfs/dbraw/zinc/35/64/57/179356457.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](CC(C)C)C2CC2)CC1 ZINC000086848078 179356459 /nfs/dbraw/zinc/35/64/59/179356459.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](CC(C)C)C2CC2)CC1 ZINC000086848078 179356460 /nfs/dbraw/zinc/35/64/60/179356460.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+](CC(C)C)C2CC2)CC1 ZINC000086848078 179356462 /nfs/dbraw/zinc/35/64/62/179356462.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+](CC(C)C)C2CC2)CC1 ZINC000086848078 179356464 /nfs/dbraw/zinc/35/64/64/179356464.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848903 179357474 /nfs/dbraw/zinc/35/74/74/179357474.db2.gz GTDSIMXFVKWGFN-OWCLPIDISA-N 2 1 299.528 2.406 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000086836235 179349809 /nfs/dbraw/zinc/34/98/09/179349809.db2.gz ZXUSWXXWCYDPFS-AWEZNQCLSA-N 2 1 276.380 2.379 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835825 179350043 /nfs/dbraw/zinc/35/00/43/179350043.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835825 179350044 /nfs/dbraw/zinc/35/00/44/179350044.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835825 179350046 /nfs/dbraw/zinc/35/00/46/179350046.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835825 179350048 /nfs/dbraw/zinc/35/00/48/179350048.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835825 179350050 /nfs/dbraw/zinc/35/00/50/179350050.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@H](NCC[NH+]2CCCCCC2)CC1 ZINC000086842505 179352633 /nfs/dbraw/zinc/35/26/33/179352633.db2.gz XDVJJDFUGBUNRF-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[N@@H+](CC)CC1 ZINC000086843788 179352638 /nfs/dbraw/zinc/35/26/38/179352638.db2.gz OIIMIDFXWWIXGB-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841977 179353452 /nfs/dbraw/zinc/35/34/52/179353452.db2.gz IJRVVUULCVGYGO-CABCVRRESA-N 2 1 283.460 2.144 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850883 179357805 /nfs/dbraw/zinc/35/78/05/179357805.db2.gz SRDMNQJYRFUSJW-LSDHHAIUSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCc3ccccc3C2)CC1 ZINC000086846522 179355086 /nfs/dbraw/zinc/35/50/86/179355086.db2.gz KASRMRIRYHMVEZ-SFHVURJKSA-N 2 1 287.451 2.248 10 0 CEAEMP CCCN(C1CC1)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846784 179355296 /nfs/dbraw/zinc/35/52/96/179355296.db2.gz CDEUVEFOCKBGEY-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP Cc1ccccc1C[N@@H+](C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875076 179364680 /nfs/dbraw/zinc/36/46/80/179364680.db2.gz UDSUSHATXPDHTF-MRXNPFEDSA-N 2 1 262.397 2.325 10 0 CEAEMP Cc1ccccc1C[N@H+](C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875076 179364681 /nfs/dbraw/zinc/36/46/81/179364681.db2.gz UDSUSHATXPDHTF-MRXNPFEDSA-N 2 1 262.397 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849653 179358638 /nfs/dbraw/zinc/35/86/38/179358638.db2.gz WLYFPSPOLOACED-KRWDZBQOSA-N 2 1 295.471 2.417 10 0 CEAEMP CC(C)[C@@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952104 179368846 /nfs/dbraw/zinc/36/88/46/179368846.db2.gz QOQCCWMEXLJLRX-HZPDHXFCSA-N 2 1 268.445 2.249 10 0 CEAEMP CCC[NH2+][C@@H](CCCOC)Cc1c[nH+]ccc1N ZINC000086970913 179370575 /nfs/dbraw/zinc/37/05/75/179370575.db2.gz ITFGZTOHMMZBEA-ZDUSSCGKSA-N 2 1 251.374 2.001 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087048482 179387926 /nfs/dbraw/zinc/38/79/26/179387926.db2.gz SDGCPFAPSBNNKP-AWEZNQCLSA-N 2 1 268.445 2.392 10 0 CEAEMP C[NH2+]C1(CC[N@H+]2CC[C@H](COC)C2)CCCCC1 ZINC000087578686 179450210 /nfs/dbraw/zinc/45/02/10/179450210.db2.gz DLGNMOVFNAUGNV-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@H]1CC[NH3+] ZINC000616625001 348538829 /nfs/dbraw/zinc/53/88/29/348538829.db2.gz JSEBFJDXWSPCMS-ZDUSSCGKSA-N 2 1 285.432 2.105 10 0 CEAEMP CC[N@H+](Cc1c(C)nn(C)c1Cl)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089115390 179709527 /nfs/dbraw/zinc/70/95/27/179709527.db2.gz LDPATEWJHUPOJV-YPMHNXCESA-N 2 1 284.835 2.331 10 0 CEAEMP CC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089115390 179709529 /nfs/dbraw/zinc/70/95/29/179709529.db2.gz LDPATEWJHUPOJV-YPMHNXCESA-N 2 1 284.835 2.331 10 0 CEAEMP C[N@@H+](Cc1cccc(Cl)c1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606663 180011280 /nfs/dbraw/zinc/01/12/80/180011280.db2.gz NLGRTNLPSWJSCF-KBPBESRZSA-N 2 1 268.788 2.136 10 0 CEAEMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694626 180025913 /nfs/dbraw/zinc/02/59/13/180025913.db2.gz VDRNOUIQQZECTE-GDBMZVCRSA-N 2 1 295.471 2.001 10 0 CEAEMP FC(F)(F)COCC[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694586 180026419 /nfs/dbraw/zinc/02/64/19/180026419.db2.gz PPOOGNOSTVSLFG-GFCCVEGCSA-N 2 1 280.334 2.029 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090902514 180059702 /nfs/dbraw/zinc/05/97/02/180059702.db2.gz ULZXWNRKKGNAJQ-IRXDYDNUSA-N 2 1 286.419 2.372 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090902514 180059703 /nfs/dbraw/zinc/05/97/03/180059703.db2.gz ULZXWNRKKGNAJQ-IRXDYDNUSA-N 2 1 286.419 2.372 10 0 CEAEMP CCC[NH2+]Cc1cccn1C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000090996097 180083425 /nfs/dbraw/zinc/08/34/25/180083425.db2.gz FLZNUQZIQNWXHQ-MRXNPFEDSA-N 2 1 279.428 2.097 10 0 CEAEMP C[C@@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)[C@@H]1C[NH3+] ZINC000091019744 180087977 /nfs/dbraw/zinc/08/79/77/180087977.db2.gz KUVXFUJGDBSJKD-BXUZGUMPSA-N 2 1 258.369 2.122 10 0 CEAEMP C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)[C@@H]1C[NH3+] ZINC000091019744 180087980 /nfs/dbraw/zinc/08/79/80/180087980.db2.gz KUVXFUJGDBSJKD-BXUZGUMPSA-N 2 1 258.369 2.122 10 0 CEAEMP CC(C)[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000091313879 180133080 /nfs/dbraw/zinc/13/30/80/180133080.db2.gz PVUJOBYEAYZABH-CYBMUJFWSA-N 2 1 268.426 2.337 10 0 CEAEMP C[NH2+]C[C@@H]1CCCC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275486 180118739 /nfs/dbraw/zinc/11/87/39/180118739.db2.gz WOCVNMGWPQISTO-WFASDCNBSA-N 2 1 262.401 2.210 10 0 CEAEMP C[NH2+]C[C@@H]1CCCC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275486 180118740 /nfs/dbraw/zinc/11/87/40/180118740.db2.gz WOCVNMGWPQISTO-WFASDCNBSA-N 2 1 262.401 2.210 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091432359 180153650 /nfs/dbraw/zinc/15/36/50/180153650.db2.gz WDWKWLCMCUKAPC-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)CN1CCC(C[NH+](C)C)CC1 ZINC000091403499 180147565 /nfs/dbraw/zinc/14/75/65/180147565.db2.gz URRSBKNIJYRKBO-AWEZNQCLSA-N 2 1 269.477 2.284 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)CN1CCC[N@@H+](C)CC1 ZINC000091402639 180147574 /nfs/dbraw/zinc/14/75/74/180147574.db2.gz UCTCNPYUGPPSGZ-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCCC1 ZINC000091564924 180193701 /nfs/dbraw/zinc/19/37/01/180193701.db2.gz UYRXEULPNMGSHZ-OAHLLOKOSA-N 2 1 276.428 2.059 10 0 CEAEMP C[NH+](C)C(C)(C)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000091528396 180179893 /nfs/dbraw/zinc/17/98/93/180179893.db2.gz MTGFCJRMECJSAK-HNNXBMFYSA-N 2 1 257.381 2.445 10 0 CEAEMP CC[NH2+][C@@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCC1 ZINC000091535357 180182567 /nfs/dbraw/zinc/18/25/67/180182567.db2.gz NRLOHNRRQDHZQK-AWEZNQCLSA-N 2 1 276.428 2.059 10 0 CEAEMP CCCn1ncnc1C[C@@H]([NH3+])C(CC)(CC)[NH+]1CCCC1 ZINC000091634975 180211639 /nfs/dbraw/zinc/21/16/39/180211639.db2.gz RKMWSNLSDSPBDE-CQSZACIVSA-N 2 1 293.459 2.213 10 0 CEAEMP CC[NH+](CC)C1([C@@H](O)c2c[nH+]ccc2N)CCCC1 ZINC000091639029 180212186 /nfs/dbraw/zinc/21/21/86/180212186.db2.gz VJUVAWDRCAATRN-AWEZNQCLSA-N 2 1 263.385 2.352 10 0 CEAEMP CC[NH+](CC)C1([C@@H](O)Cc2cc[nH+]c(N)c2)CCCC1 ZINC000091638819 180212541 /nfs/dbraw/zinc/21/25/41/180212541.db2.gz AXEMPWQSAYEOFN-AWEZNQCLSA-N 2 1 277.412 2.222 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cnn(C)c1)C1([NH+](C)C)CCCC1 ZINC000091638311 180212662 /nfs/dbraw/zinc/21/26/62/180212662.db2.gz FZWXXIOOXNFDNP-HNNXBMFYSA-N 2 1 278.444 2.205 10 0 CEAEMP CCn1cc(C[C@H]([NH3+])C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640588 180213546 /nfs/dbraw/zinc/21/35/46/180213546.db2.gz POWFYHPOXPNUGQ-HNNXBMFYSA-N 2 1 276.428 2.181 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720949 180236990 /nfs/dbraw/zinc/23/69/90/180236990.db2.gz ZRXKEFBWGCJUIG-SQNIBIBYSA-N 2 1 288.435 2.243 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720949 180236991 /nfs/dbraw/zinc/23/69/91/180236991.db2.gz ZRXKEFBWGCJUIG-SQNIBIBYSA-N 2 1 288.435 2.243 10 0 CEAEMP C[N@@H+](C[C@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091846643 180270447 /nfs/dbraw/zinc/27/04/47/180270447.db2.gz XGMHSKIRKGEARI-GPANFISMSA-N 2 1 262.397 2.096 10 0 CEAEMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847787 180270806 /nfs/dbraw/zinc/27/08/06/180270806.db2.gz MKEMYLAEYNRMBQ-OPFPJEHXSA-N 2 1 281.444 2.026 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091870609 180277423 /nfs/dbraw/zinc/27/74/23/180277423.db2.gz GUKSRVYUCIZHTL-VQCLRJIVSA-N 2 1 295.471 2.286 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cn3ccccc3n2)CC1 ZINC000091870592 180277501 /nfs/dbraw/zinc/27/75/01/180277501.db2.gz ACBANFVTFYAYEP-UHFFFAOYSA-N 2 1 272.396 2.297 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091870441 180277524 /nfs/dbraw/zinc/27/75/24/180277524.db2.gz IMYSCJBPDSXWJG-IYXRBSQSSA-N 2 1 283.460 2.142 10 0 CEAEMP C[N@H+]1CC[C@@](O)(C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000091907210 180283960 /nfs/dbraw/zinc/28/39/60/180283960.db2.gz LTNALCXSBJFBPK-BCLQGDPASA-N 2 1 268.445 2.234 10 0 CEAEMP CC[N@@H+](Cc1nc(C)ccc1O)C1CCC([NH3+])CC1 ZINC000091996245 180302515 /nfs/dbraw/zinc/30/25/15/180302515.db2.gz LOVQBMXLAKALRN-UHFFFAOYSA-N 2 1 263.385 2.187 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088418 180321703 /nfs/dbraw/zinc/32/17/03/180321703.db2.gz IIVNOFBCIMAVRX-OWCLPIDISA-N 2 1 268.445 2.371 10 0 CEAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@@H]1COc2ccccc21 ZINC000092298828 180358345 /nfs/dbraw/zinc/35/83/45/180358345.db2.gz YBZDAMGAPXHJLY-CQSZACIVSA-N 2 1 262.397 2.469 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000092325052 180362435 /nfs/dbraw/zinc/36/24/35/180362435.db2.gz XJRJYRAAVXDJLM-DOMZBBRYSA-N 2 1 278.444 2.247 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000092325052 180362436 /nfs/dbraw/zinc/36/24/36/180362436.db2.gz XJRJYRAAVXDJLM-DOMZBBRYSA-N 2 1 278.444 2.247 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CO)C(C)C)C1 ZINC000092394322 180376616 /nfs/dbraw/zinc/37/66/16/180376616.db2.gz KYVXUKQTIHHJLD-ILXRZTDVSA-N 2 1 256.434 2.103 10 0 CEAEMP Clc1ccc2c(NC[C@H]3COCC[NH2+]3)cc[nH+]c2c1 ZINC000236051255 539803370 /nfs/dbraw/zinc/80/33/70/539803370.db2.gz UHWAJQKULJJXNA-NSHDSACASA-N 2 1 277.755 2.289 10 0 CEAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704816 186313680 /nfs/dbraw/zinc/31/36/80/186313680.db2.gz YBNCGJMWYYCVIB-GOEBONIOSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccccc2C)C[C@@H]1C ZINC000110703121 186313841 /nfs/dbraw/zinc/31/38/41/186313841.db2.gz OXYLTLPOCKFDIT-HOCLYGCPSA-N 2 1 261.413 2.021 10 0 CEAEMP CC[C@H]([C@H]([NH3+])c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716305 186315861 /nfs/dbraw/zinc/31/58/61/186315861.db2.gz KPPMPLTZOGSVQU-HZPDHXFCSA-N 2 1 275.440 2.491 10 0 CEAEMP CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC[N@H+]1C ZINC000110715784 186316499 /nfs/dbraw/zinc/31/64/99/186316499.db2.gz XPKYFOBHMHZREP-JQHSSLGASA-N 2 1 287.451 2.288 10 0 CEAEMP CCOc1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716539 186316545 /nfs/dbraw/zinc/31/65/45/186316545.db2.gz IEEPHPJDDLMTGQ-INIZCTEOSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[N@H+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000110714464 186316754 /nfs/dbraw/zinc/31/67/54/186316754.db2.gz GHVYYONIIBHCBK-SOUVJXGZSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1CN1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110746245 186319407 /nfs/dbraw/zinc/31/94/07/186319407.db2.gz UOUCVOROKJRTKO-JYJNAYRXSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCN(CC[NH2+]C2CCC(C)CC2)C[C@@H]1C ZINC000110756916 186320061 /nfs/dbraw/zinc/32/00/61/186320061.db2.gz MBUORCHFHAXFJO-PCKAHOCUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1CN([C@@H](C)C[NH2+]C(C)(C)CC)CC[N@H+]1C ZINC000110757266 186320858 /nfs/dbraw/zinc/32/08/58/186320858.db2.gz HOIOQDBIHXLTKX-KBPBESRZSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)CC[NH2+]C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757964 186321640 /nfs/dbraw/zinc/32/16/40/186321640.db2.gz HPPPINOAQXVTNM-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@@H]1CN(Cc2csc(C[NH2+]C(C)(C)C)n2)CC[N@H+]1C ZINC000110751725 186321767 /nfs/dbraw/zinc/32/17/67/186321767.db2.gz WURSLYQLYDRLET-GFCCVEGCSA-N 2 1 296.484 2.167 10 0 CEAEMP CC[N@H+]1CCN(CC[NH2+]Cc2ccc(C)s2)C[C@@H]1C ZINC000110756987 186321900 /nfs/dbraw/zinc/32/19/00/186321900.db2.gz IZJIGLDQHXPIJU-ZDUSSCGKSA-N 2 1 281.469 2.172 10 0 CEAEMP C[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157301 186362117 /nfs/dbraw/zinc/36/21/17/186362117.db2.gz AQJIZVLKFDDBEU-RBSFLKMASA-N 2 1 254.418 2.252 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)CC1CCOCC1 ZINC000111175568 186364836 /nfs/dbraw/zinc/36/48/36/186364836.db2.gz RZEPYVYTADGDNH-UHFFFAOYSA-N 2 1 262.397 2.264 10 0 CEAEMP CC[NH2+]C[C@](C)(CC)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171832 186365349 /nfs/dbraw/zinc/36/53/49/186365349.db2.gz BPLFTLKUINCFSD-GJZGRUSLSA-N 2 1 256.434 2.371 10 0 CEAEMP C[NH2+]C[C@]1(C[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324271 186396732 /nfs/dbraw/zinc/39/67/32/186396732.db2.gz HKRIMCHYFVBDPN-KRWDZBQOSA-N 2 1 274.408 2.061 10 0 CEAEMP C[N@@H+](C[C@]1(C[NH3+])CCCOC1)C1CCCCCC1 ZINC000111325835 186399227 /nfs/dbraw/zinc/39/92/27/186399227.db2.gz CSHBGPYNVACCSP-OAHLLOKOSA-N 2 1 254.418 2.397 10 0 CEAEMP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000079047987 363569641 /nfs/dbraw/zinc/56/96/41/363569641.db2.gz BHXDNCXTNKAVPA-NWDGAFQWSA-N 2 1 258.369 2.373 10 0 CEAEMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813425 364110440 /nfs/dbraw/zinc/11/04/40/364110440.db2.gz DDTZXSAGAUNBPK-AWEZNQCLSA-N 2 1 285.395 2.356 10 0 CEAEMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813425 364110449 /nfs/dbraw/zinc/11/04/49/364110449.db2.gz DDTZXSAGAUNBPK-AWEZNQCLSA-N 2 1 285.395 2.356 10 0 CEAEMP OCC[C@H]([NH2+]C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000100282903 364543766 /nfs/dbraw/zinc/54/37/66/364543766.db2.gz OZUTYNJENZEIRC-AEFFLSMTSA-N 2 1 288.435 2.402 10 0 CEAEMP Cc1nc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000275540143 193071354 /nfs/dbraw/zinc/07/13/54/193071354.db2.gz MPMMHLWULGWGBB-NSHDSACASA-N 2 1 262.382 2.000 10 0 CEAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000121096873 365523151 /nfs/dbraw/zinc/52/31/51/365523151.db2.gz HVYDIVDXUORYME-ZDUSSCGKSA-N 2 1 280.412 2.113 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840094 367580612 /nfs/dbraw/zinc/58/06/12/367580612.db2.gz PKBZBXCVMAWWFY-AAEUAGOBSA-N 2 1 273.355 2.401 10 0 CEAEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000173345927 367899851 /nfs/dbraw/zinc/89/98/51/367899851.db2.gz LHSNXENLMPHNQO-GOEBONIOSA-N 2 1 262.397 2.184 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000635000367 369035190 /nfs/dbraw/zinc/03/51/90/369035190.db2.gz MWSRWJXJTXQOBH-DOMZBBRYSA-N 2 1 255.365 2.261 10 0 CEAEMP CC[NH2+]CC1CCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000261585674 371665346 /nfs/dbraw/zinc/66/53/46/371665346.db2.gz INTGPCRKWHKWTK-UHFFFAOYSA-N 2 1 262.401 2.173 10 0 CEAEMP COCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261584690 371662257 /nfs/dbraw/zinc/66/22/57/371662257.db2.gz HXTSQLUYRXUONQ-JYJNAYRXSA-N 2 1 260.381 2.002 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]12 ZINC000261698538 371705602 /nfs/dbraw/zinc/70/56/02/371705602.db2.gz NYHRRGXXALXIQS-BHYGNILZSA-N 2 1 282.391 2.041 10 0 CEAEMP Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261896793 371765813 /nfs/dbraw/zinc/76/58/13/371765813.db2.gz HGAGNEGVCWHQGN-MGPQQGTHSA-N 2 1 280.437 2.303 10 0 CEAEMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262006934 371797303 /nfs/dbraw/zinc/79/73/03/371797303.db2.gz VDZPDLVTHHUNIR-GVRJEKJASA-N 2 1 266.429 2.312 10 0 CEAEMP C[C@@H]1[C@H](N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000307209513 376560429 /nfs/dbraw/zinc/56/04/29/376560429.db2.gz KGLKETYHLXVLFU-JOCBIADPSA-N 2 1 287.451 2.319 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](C)C[NH2+]CC(C)C ZINC000092675682 184620826 /nfs/dbraw/zinc/62/08/26/184620826.db2.gz WHUKSGRSBCFIGL-HOTGVXAUSA-N 2 1 269.477 2.284 10 0 CEAEMP COc1ncccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515617 184686979 /nfs/dbraw/zinc/68/69/79/184686979.db2.gz ALMOJKNDHGWJIO-ZFWWWQNUSA-N 2 1 277.412 2.491 10 0 CEAEMP C[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[N@H+]1CCCC(C)(C)CC1 ZINC000093596012 184694163 /nfs/dbraw/zinc/69/41/63/184694163.db2.gz HOPOVDFVIMDROA-WMLDXEAASA-N 2 1 295.471 2.132 10 0 CEAEMP CCC[C@](C)(C[NH2+]C1CC1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000094466046 184805999 /nfs/dbraw/zinc/80/59/99/184805999.db2.gz SGEBOJNJJUYORF-IAGOWNOFSA-N 2 1 279.472 2.325 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093068390 135079157 /nfs/dbraw/zinc/07/91/57/135079157.db2.gz PXRSSNRSZKEQBV-KGLIPLIRSA-N 2 1 279.403 2.192 10 0 CEAEMP C[C@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000306778921 394517822 /nfs/dbraw/zinc/51/78/22/394517822.db2.gz SMQPPMIXJOBFIE-MUQADHOPSA-N 2 1 287.451 2.332 10 0 CEAEMP CC[C@@](C)(O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249398469 394554947 /nfs/dbraw/zinc/55/49/47/394554947.db2.gz SFMPEBMRKUWOLL-HUUCEWRRSA-N 2 1 254.418 2.098 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381590741 395175726 /nfs/dbraw/zinc/17/57/26/395175726.db2.gz DMJBUIIYPFPFCU-XQQFMLRXSA-N 2 1 258.356 2.496 10 0 CEAEMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381590741 395175732 /nfs/dbraw/zinc/17/57/32/395175732.db2.gz DMJBUIIYPFPFCU-XQQFMLRXSA-N 2 1 258.356 2.496 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)C[C@@H]12 ZINC000394502009 400549990 /nfs/dbraw/zinc/54/99/90/400549990.db2.gz RCESKRBSDBLXHU-FDYHWXHSSA-N 2 1 258.356 2.481 10 0 CEAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000263118152 154022523 /nfs/dbraw/zinc/02/25/23/154022523.db2.gz ASZXETSAWATWSX-QZTJIDSGSA-N 2 1 282.387 2.024 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000183176166 165385845 /nfs/dbraw/zinc/38/58/45/165385845.db2.gz IGQUKFMSTQJJGF-OAHLLOKOSA-N 2 1 287.411 2.461 10 0 CEAEMP CCCc1ccc(OCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000020266827 171123468 /nfs/dbraw/zinc/12/34/68/171123468.db2.gz IPJOKEBTRCDKNF-UHFFFAOYSA-N 2 1 262.397 2.441 10 0 CEAEMP CC(C)COCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221364 173040153 /nfs/dbraw/zinc/04/01/53/173040153.db2.gz IXFAWWLAIWCWDW-HUUCEWRRSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671247 174369114 /nfs/dbraw/zinc/36/91/14/174369114.db2.gz SCQGSAJXVNYTLK-KRWDZBQOSA-N 2 1 289.467 2.233 10 0 CEAEMP C[NH+](C)C(C)(C)CN[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671247 174369116 /nfs/dbraw/zinc/36/91/16/174369116.db2.gz SCQGSAJXVNYTLK-KRWDZBQOSA-N 2 1 289.467 2.233 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(F)c1 ZINC000040750226 174394763 /nfs/dbraw/zinc/39/47/63/174394763.db2.gz GNCIYSHMNCJUIE-LQDVMPOASA-N 2 1 291.370 2.108 10 0 CEAEMP CCc1ccc(OCCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041355104 174533356 /nfs/dbraw/zinc/53/33/56/174533356.db2.gz KRROCWIEGFJHGU-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCc1ccc(OCCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041355104 174533358 /nfs/dbraw/zinc/53/33/58/174533358.db2.gz KRROCWIEGFJHGU-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1F ZINC000311694696 414861033 /nfs/dbraw/zinc/86/10/33/414861033.db2.gz SUJBSSFBPCMDIZ-UHTWSYAYSA-N 2 1 264.344 2.003 10 0 CEAEMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1F ZINC000311694696 414861035 /nfs/dbraw/zinc/86/10/35/414861035.db2.gz SUJBSSFBPCMDIZ-UHTWSYAYSA-N 2 1 264.344 2.003 10 0 CEAEMP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000043810851 175110545 /nfs/dbraw/zinc/11/05/45/175110545.db2.gz HHPJOUHMRSURNW-OAHLLOKOSA-N 2 1 287.407 2.331 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCCCC1)OCCO2 ZINC000043814523 175111609 /nfs/dbraw/zinc/11/16/09/175111609.db2.gz JHVWEHJUYPKKDC-CABCVRRESA-N 2 1 282.428 2.136 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)CCOC)c1 ZINC000043915641 175124987 /nfs/dbraw/zinc/12/49/87/175124987.db2.gz YOWFHWWYURSQNO-GFCCVEGCSA-N 2 1 266.385 2.054 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CCCOC)CCOC ZINC000043971096 175131883 /nfs/dbraw/zinc/13/18/83/175131883.db2.gz TXAWJHPGWJBNPZ-CVEARBPZSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043971096 175131885 /nfs/dbraw/zinc/13/18/85/175131885.db2.gz TXAWJHPGWJBNPZ-CVEARBPZSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1C ZINC000044982048 175283530 /nfs/dbraw/zinc/28/35/30/175283530.db2.gz YKLSMQGZZOLZTI-SOUVJXGZSA-N 2 1 254.418 2.123 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000045068456 175299897 /nfs/dbraw/zinc/29/98/97/175299897.db2.gz JSCMFFNIURGUBH-LBPRGKRZSA-N 2 1 277.412 2.450 10 0 CEAEMP C[C@H](CNc1c(C(N)=S)c[nH+]c2ccccc21)[NH+](C)C ZINC000045109783 175309388 /nfs/dbraw/zinc/30/93/88/175309388.db2.gz NXAVIDJXOXGKCZ-SNVBAGLBSA-N 2 1 288.420 2.231 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000045134848 175312552 /nfs/dbraw/zinc/31/25/52/175312552.db2.gz BLDVKKFTWHMAFN-OAHLLOKOSA-N 2 1 268.445 2.392 10 0 CEAEMP CC[C@@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000045136104 175313373 /nfs/dbraw/zinc/31/33/73/175313373.db2.gz FSDHSVFNMKMBTR-NWDGAFQWSA-N 2 1 255.431 2.188 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000045171154 175321079 /nfs/dbraw/zinc/32/10/79/175321079.db2.gz YGQBDPMMPXGPJG-NSHDSACASA-N 2 1 276.428 2.314 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)c1C ZINC000045171422 175321161 /nfs/dbraw/zinc/32/11/61/175321161.db2.gz HDNZNXUBUOVSEB-BXUZGUMPSA-N 2 1 264.417 2.122 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000045172573 175321944 /nfs/dbraw/zinc/32/19/44/175321944.db2.gz MAEXBJMECXHDKF-MNOVXSKESA-N 2 1 252.406 2.028 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281672 175352817 /nfs/dbraw/zinc/35/28/17/175352817.db2.gz RIJCPPMSUWJFQP-INIZCTEOSA-N 2 1 283.460 2.132 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000045281672 175352818 /nfs/dbraw/zinc/35/28/18/175352818.db2.gz RIJCPPMSUWJFQP-INIZCTEOSA-N 2 1 283.460 2.132 10 0 CEAEMP CCCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368401 175363972 /nfs/dbraw/zinc/36/39/72/175363972.db2.gz SFAAZFGKKVAQQP-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045368401 175363973 /nfs/dbraw/zinc/36/39/73/175363973.db2.gz SFAAZFGKKVAQQP-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378091 175367843 /nfs/dbraw/zinc/36/78/43/175367843.db2.gz LGPXAUKBZFLYDJ-OAHLLOKOSA-N 2 1 272.433 2.427 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378091 175367844 /nfs/dbraw/zinc/36/78/44/175367844.db2.gz LGPXAUKBZFLYDJ-OAHLLOKOSA-N 2 1 272.433 2.427 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379159 175368470 /nfs/dbraw/zinc/36/84/70/175368470.db2.gz BGYIYFKIAKSOLQ-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(N)=O ZINC000045381310 175370100 /nfs/dbraw/zinc/37/01/00/175370100.db2.gz NCDSJSYXQRVXCO-ZFWWWQNUSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382741 175370676 /nfs/dbraw/zinc/37/06/76/175370676.db2.gz YAQOYBNPCRUQRU-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045382741 175370678 /nfs/dbraw/zinc/37/06/78/175370678.db2.gz YAQOYBNPCRUQRU-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383396 175370805 /nfs/dbraw/zinc/37/08/05/175370805.db2.gz IATUUTVMVADTEI-OAHLLOKOSA-N 2 1 270.417 2.181 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383396 175370806 /nfs/dbraw/zinc/37/08/06/175370806.db2.gz IATUUTVMVADTEI-OAHLLOKOSA-N 2 1 270.417 2.181 10 0 CEAEMP CCC[N@H+](CCC[C@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385984 175371977 /nfs/dbraw/zinc/37/19/77/175371977.db2.gz CDTOCMNXAGGEAU-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385984 175371979 /nfs/dbraw/zinc/37/19/79/175371979.db2.gz CDTOCMNXAGGEAU-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)C(CC)CC ZINC000045391559 175374393 /nfs/dbraw/zinc/37/43/93/175374393.db2.gz WJDPTXGBMDAXIN-AWEZNQCLSA-N 2 1 258.406 2.168 10 0 CEAEMP CC(C)[NH2+][C@H]1CCCN(CCC[N@H+]2CCCC[C@@H]2C)C1=O ZINC000071037923 176026474 /nfs/dbraw/zinc/02/64/74/176026474.db2.gz MIGVNENAYVXVNP-HOTGVXAUSA-N 2 1 295.471 2.240 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071044790 176029833 /nfs/dbraw/zinc/02/98/33/176029833.db2.gz IMAPHLYMHKOGEB-BBRMVZONSA-N 2 1 262.397 2.217 10 0 CEAEMP CCCC[C@H](CC)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150924 176044898 /nfs/dbraw/zinc/04/48/98/176044898.db2.gz AOQWWMVFYANVET-HNNXBMFYSA-N 2 1 255.450 2.040 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(CN)[N@@H+](CCOC)[C@@H](C)COC ZINC000071161953 176046692 /nfs/dbraw/zinc/04/66/92/176046692.db2.gz HYZQBFNCZDTOBG-XHSDSOJGSA-N 2 1 286.460 2.267 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000071161953 176046693 /nfs/dbraw/zinc/04/66/93/176046693.db2.gz HYZQBFNCZDTOBG-XHSDSOJGSA-N 2 1 286.460 2.267 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(CN)[N@@H+](CCOC)[C@@H](C)COC ZINC000071161954 176046762 /nfs/dbraw/zinc/04/67/62/176046762.db2.gz HYZQBFNCZDTOBG-JYJNAYRXSA-N 2 1 286.460 2.267 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000071161954 176046763 /nfs/dbraw/zinc/04/67/63/176046763.db2.gz HYZQBFNCZDTOBG-JYJNAYRXSA-N 2 1 286.460 2.267 10 0 CEAEMP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188952 176063304 /nfs/dbraw/zinc/06/33/04/176063304.db2.gz YCIUODDSONHDOM-KLHDSHLOSA-N 2 1 267.461 2.022 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000071188730 176064003 /nfs/dbraw/zinc/06/40/03/176064003.db2.gz BFMZQFBQSASDJG-QGTPRVQTSA-N 2 1 287.451 2.275 10 0 CEAEMP CC[NH2+]Cc1cc(F)ccc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071190068 176065782 /nfs/dbraw/zinc/06/57/82/176065782.db2.gz GWFLSGXPGCGHQQ-ZDUSSCGKSA-N 2 1 279.403 2.323 10 0 CEAEMP CCCC1(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)CC[NH2+]CC1 ZINC000071190949 176067421 /nfs/dbraw/zinc/06/74/21/176067421.db2.gz IMOZPMYKEOZMDY-HNNXBMFYSA-N 3 1 267.461 2.040 10 0 CEAEMP CCCC1(C[NH+](C)C[C@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000071190949 176067422 /nfs/dbraw/zinc/06/74/22/176067422.db2.gz IMOZPMYKEOZMDY-HNNXBMFYSA-N 3 1 267.461 2.040 10 0 CEAEMP CCCC1(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000071190949 176067423 /nfs/dbraw/zinc/06/74/23/176067423.db2.gz IMOZPMYKEOZMDY-HNNXBMFYSA-N 3 1 267.461 2.040 10 0 CEAEMP CCCC1(C[N@H+](C)C[C@H]2CCN(C)C2)CC[NH2+]CC1 ZINC000071190949 176067424 /nfs/dbraw/zinc/06/74/24/176067424.db2.gz IMOZPMYKEOZMDY-HNNXBMFYSA-N 2 1 267.461 2.040 10 0 CEAEMP CCCC1(C[N@@H+](C)C[C@H]2CCN(C)C2)CC[NH2+]CC1 ZINC000071190949 176067425 /nfs/dbraw/zinc/06/74/25/176067425.db2.gz IMOZPMYKEOZMDY-HNNXBMFYSA-N 2 1 267.461 2.040 10 0 CEAEMP C[N@H+](Cc1ccc2c(c1)CCN2)C[C@H]1CC[NH+](C)C1 ZINC000071190884 176067427 /nfs/dbraw/zinc/06/74/27/176067427.db2.gz JGWSZZOLDVFBDX-AWEZNQCLSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCN2)C[C@H]1CC[N@H+](C)C1 ZINC000071190884 176067429 /nfs/dbraw/zinc/06/74/29/176067429.db2.gz JGWSZZOLDVFBDX-AWEZNQCLSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCN2)C[C@H]1CC[N@@H+](C)C1 ZINC000071190884 176067430 /nfs/dbraw/zinc/06/74/30/176067430.db2.gz JGWSZZOLDVFBDX-AWEZNQCLSA-N 2 1 259.397 2.038 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191309 176069516 /nfs/dbraw/zinc/06/95/16/176069516.db2.gz SGKOAYISVMIRBV-PMPSAXMXSA-N 2 1 267.461 2.038 10 0 CEAEMP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC000071191262 176070356 /nfs/dbraw/zinc/07/03/56/176070356.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 2 1 293.430 2.360 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191924 176071421 /nfs/dbraw/zinc/07/14/21/176071421.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 3 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191924 176071423 /nfs/dbraw/zinc/07/14/23/176071423.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 3 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191924 176071424 /nfs/dbraw/zinc/07/14/24/176071424.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 3 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191924 176071426 /nfs/dbraw/zinc/07/14/26/176071426.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 2 1 275.440 2.180 10 0 CEAEMP CC[NH2+]Cc1cccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191924 176071428 /nfs/dbraw/zinc/07/14/28/176071428.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 2 1 275.440 2.180 10 0 CEAEMP Cc1oc(C[NH2+]C(C)C)cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192074 176073333 /nfs/dbraw/zinc/07/33/33/176073333.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 2 1 293.455 2.470 10 0 CEAEMP CCC[NH2+][C@H]1CCN(CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071198140 176077088 /nfs/dbraw/zinc/07/70/88/176077088.db2.gz MLUBGTVNDIRPMN-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1c(C)cc(C)cc1C ZINC000071224351 176088414 /nfs/dbraw/zinc/08/84/14/176088414.db2.gz BGCJIEOLHFQKOL-UHFFFAOYSA-N 2 1 264.413 2.409 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000071224732 176089005 /nfs/dbraw/zinc/08/90/05/176089005.db2.gz BNEAQLRJXOGSHO-UHFFFAOYSA-N 2 1 273.380 2.032 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335986 176127667 /nfs/dbraw/zinc/12/76/67/176127667.db2.gz NNPAQTSKRJJRKB-UHFFFAOYSA-N 2 1 299.459 2.316 10 0 CEAEMP C[C@@H](C[NH3+])CN1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC000078626744 177362118 /nfs/dbraw/zinc/36/21/18/177362118.db2.gz DISHNCSTYNJPTM-HOTGVXAUSA-N 2 1 275.440 2.350 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@@H](N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791964 275067167 /nfs/dbraw/zinc/06/71/67/275067167.db2.gz UTOCBQHCPAXJMO-ZWKOTPCHSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(C[N@H+]2CCC[C@@H](N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791964 275067168 /nfs/dbraw/zinc/06/71/68/275067168.db2.gz UTOCBQHCPAXJMO-ZWKOTPCHSA-N 2 1 287.451 2.383 10 0 CEAEMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[N@@H+]1C ZINC000130253234 280013100 /nfs/dbraw/zinc/01/31/00/280013100.db2.gz OGLVRSYMRSQFKD-YWPYICTPSA-N 2 1 260.381 2.452 10 0 CEAEMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[N@H+]1C ZINC000130253234 280013103 /nfs/dbraw/zinc/01/31/03/280013103.db2.gz OGLVRSYMRSQFKD-YWPYICTPSA-N 2 1 260.381 2.452 10 0 CEAEMP CCC[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245729504 280258633 /nfs/dbraw/zinc/25/86/33/280258633.db2.gz YILRSVIEIFJHRT-HZPDHXFCSA-N 2 1 297.487 2.345 10 0 CEAEMP CCC[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249089655 280383496 /nfs/dbraw/zinc/38/34/96/280383496.db2.gz CUKVBWHLPLCGGI-KBPBESRZSA-N 2 1 256.434 2.200 10 0 CEAEMP CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249368053 281292708 /nfs/dbraw/zinc/29/27/08/281292708.db2.gz MWEGKFLDMSLMDB-BPUTZDHNSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249368053 281292710 /nfs/dbraw/zinc/29/27/10/281292710.db2.gz MWEGKFLDMSLMDB-BPUTZDHNSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249368053 281292713 /nfs/dbraw/zinc/29/27/13/281292713.db2.gz MWEGKFLDMSLMDB-BPUTZDHNSA-N 2 1 266.429 2.096 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)Cc1cc(F)ccc1C[NH3+] ZINC000069401474 519717044 /nfs/dbraw/zinc/71/70/44/519717044.db2.gz FOICFLMXJSEEPA-UHFFFAOYSA-N 2 1 281.419 2.304 10 0 CEAEMP CC(C)CN(CC[NH+](C)C)Cc1cc(F)ccc1C[NH3+] ZINC000069401474 519717045 /nfs/dbraw/zinc/71/70/45/519717045.db2.gz FOICFLMXJSEEPA-UHFFFAOYSA-N 2 1 281.419 2.304 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673644 519725918 /nfs/dbraw/zinc/72/59/18/519725918.db2.gz GMKDMHJULCUCKY-XHSDSOJGSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCCSCC2)O1 ZINC000052371165 519745236 /nfs/dbraw/zinc/74/52/36/519745236.db2.gz XGXWSRIRCXYUPS-GJZGRUSLSA-N 2 1 286.485 2.219 10 0 CEAEMP CC[NH2+]CC(CC)(CC)C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653546 519912197 /nfs/dbraw/zinc/91/21/97/519912197.db2.gz DGQREXKHLIDLMG-OAHLLOKOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653546 519912200 /nfs/dbraw/zinc/91/22/00/519912200.db2.gz DGQREXKHLIDLMG-OAHLLOKOSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[NH2+]CCCCC[N@@H+](CCOC)[C@@H](C)COC ZINC000052572413 519911949 /nfs/dbraw/zinc/91/19/49/519911949.db2.gz LOVHHWNBLXVAGR-HNNXBMFYSA-N 2 1 274.449 2.140 10 0 CEAEMP CC[N@@H+](CC1CC1)C[C@]1(C[NH2+]C(C)C)CCOC1 ZINC000069239952 520958219 /nfs/dbraw/zinc/95/82/19/520958219.db2.gz FVDPHRDUQZMSOC-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400412324 533809073 /nfs/dbraw/zinc/80/90/73/533809073.db2.gz UKNDUZSHAZJHDC-RDJZCZTQSA-N 2 1 287.451 2.239 10 0 CEAEMP CC(C)(C)[NH2+]CCCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540103 518754597 /nfs/dbraw/zinc/75/45/97/518754597.db2.gz AUBBGVPDIJMLIL-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564843 519668953 /nfs/dbraw/zinc/66/89/53/519668953.db2.gz QDRYOLKUXCPLNE-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)CCOCC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564843 519668955 /nfs/dbraw/zinc/66/89/55/519668955.db2.gz QDRYOLKUXCPLNE-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182188 519720208 /nfs/dbraw/zinc/72/02/08/519720208.db2.gz MQSWHLPLVXLQDK-CQSZACIVSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000052371288 519727239 /nfs/dbraw/zinc/72/72/39/519727239.db2.gz PVZMLJMKAZVAJO-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC(C)[C@@H](CN(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000049195238 519793536 /nfs/dbraw/zinc/79/35/36/519793536.db2.gz GJZVHLXSOWQLBT-OAHLLOKOSA-N 2 1 255.450 2.035 10 0 CEAEMP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CCN(C)C)CC1 ZINC000049553840 519847799 /nfs/dbraw/zinc/84/77/99/519847799.db2.gz BNSUAOJHMNJGPA-HUUCEWRRSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+](C)CCOC ZINC000052572845 519957032 /nfs/dbraw/zinc/95/70/32/519957032.db2.gz SCRRHQXPBIQOGT-UHFFFAOYSA-N 2 1 280.412 2.143 10 0 CEAEMP CCC[NH2+][C@@H](C)[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000068689904 519987378 /nfs/dbraw/zinc/98/73/78/519987378.db2.gz IYFOKJGICOKEFX-KBPBESRZSA-N 2 1 291.443 2.147 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC000052476986 520004680 /nfs/dbraw/zinc/00/46/80/520004680.db2.gz SXYQAXHIWJGLIG-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](CC)C2)c1 ZINC000052476986 520004685 /nfs/dbraw/zinc/00/46/85/520004685.db2.gz SXYQAXHIWJGLIG-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1nc(Cn2c[nH+]c(C)c2C)cs1 ZINC000052593865 520020177 /nfs/dbraw/zinc/02/01/77/520020177.db2.gz XANSPOPAMJLLCR-UHFFFAOYSA-N 2 1 250.371 2.114 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1cccc(Cl)c1 ZINC000062739650 520309197 /nfs/dbraw/zinc/30/91/97/520309197.db2.gz HIRQANSUCYEBHM-ZDUSSCGKSA-N 2 1 256.777 2.136 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000062739650 520309203 /nfs/dbraw/zinc/30/92/03/520309203.db2.gz HIRQANSUCYEBHM-ZDUSSCGKSA-N 2 1 256.777 2.136 10 0 CEAEMP CCC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[NH2+]1 ZINC000068692494 521220202 /nfs/dbraw/zinc/22/02/02/521220202.db2.gz WHFOGZXOXQDHAL-AWEZNQCLSA-N 2 1 277.412 2.281 10 0 CEAEMP CC[N@@H+](C[C@@H]1CCCO1)CC1(CC)CC[NH2+]CC1 ZINC000062850875 521225698 /nfs/dbraw/zinc/22/56/98/521225698.db2.gz ZNENSOYHSCJSRF-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[N@@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182550 521226270 /nfs/dbraw/zinc/22/62/70/521226270.db2.gz CBTXYLPTSLTIGU-INIZCTEOSA-N 2 1 296.455 2.036 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]CC(C)C)no1)C1CC1 ZINC000052451995 521291003 /nfs/dbraw/zinc/29/10/03/521291003.db2.gz DOJJPBLWEGFVIE-UHFFFAOYSA-N 2 1 251.374 2.405 10 0 CEAEMP CCC(CC)(C[NH2+]C(C)(C)C)C[N@H+]1CC[C@H](O)C1 ZINC000061711751 521440089 /nfs/dbraw/zinc/44/00/89/521440089.db2.gz GYWMRLOEGHKUFK-ZDUSSCGKSA-N 2 1 256.434 2.248 10 0 CEAEMP CCN1CCC([N@@H+](C)Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052544051 521564090 /nfs/dbraw/zinc/56/40/90/521564090.db2.gz MLPFKSCGBMVBAW-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC(N(C)Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052544051 521564099 /nfs/dbraw/zinc/56/40/99/521564099.db2.gz MLPFKSCGBMVBAW-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052544051 521564104 /nfs/dbraw/zinc/56/41/04/521564104.db2.gz MLPFKSCGBMVBAW-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052544051 521564114 /nfs/dbraw/zinc/56/41/14/521564114.db2.gz MLPFKSCGBMVBAW-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP CCN1CCC([N@H+](C)[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017321 521567078 /nfs/dbraw/zinc/56/70/78/521567078.db2.gz GDERUCAAAOAKMC-KRWDZBQOSA-N 2 1 275.440 2.493 10 0 CEAEMP CCN1CCC([N@@H+](C)[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017321 521567082 /nfs/dbraw/zinc/56/70/82/521567082.db2.gz GDERUCAAAOAKMC-KRWDZBQOSA-N 2 1 275.440 2.493 10 0 CEAEMP CCC1(CC)CC[NH+]([C@H](C)C[C@@](C)([NH2+]C)C(N)=O)CC1 ZINC000068645352 521687747 /nfs/dbraw/zinc/68/77/47/521687747.db2.gz XOQSLKVEGWBAQO-UKRRQHHQSA-N 2 1 283.460 2.131 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2ccnc2C[NH2+]C(C)C)c1C ZINC000051005568 521816622 /nfs/dbraw/zinc/81/66/22/521816622.db2.gz UMMBTEVRIIWCHJ-UHFFFAOYSA-N 2 1 288.395 2.450 10 0 CEAEMP C[NH+](C)C[C@@H]1CCCN1c1ccc(N)c2c[nH+]ccc21 ZINC000061642934 521843259 /nfs/dbraw/zinc/84/32/59/521843259.db2.gz SBXMHRDVMQSMNL-LBPRGKRZSA-N 2 1 270.380 2.347 10 0 CEAEMP C[NH+](C)C[C@H]1CCCN1c1ccc(N)c2c[nH+]ccc21 ZINC000061642936 521873660 /nfs/dbraw/zinc/87/36/60/521873660.db2.gz SBXMHRDVMQSMNL-GFCCVEGCSA-N 2 1 270.380 2.347 10 0 CEAEMP C[NH2+][C@@H](CC[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000062437494 522344122 /nfs/dbraw/zinc/34/41/22/522344122.db2.gz DCMQPXLVJIWAQV-INIZCTEOSA-N 2 1 295.471 2.417 10 0 CEAEMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000051086837 522394593 /nfs/dbraw/zinc/39/45/93/522394593.db2.gz WZGKWJRJBZVADT-CFVMTHIKSA-N 2 1 260.381 2.062 10 0 CEAEMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000051086837 522394598 /nfs/dbraw/zinc/39/45/98/522394598.db2.gz WZGKWJRJBZVADT-CFVMTHIKSA-N 2 1 260.381 2.062 10 0 CEAEMP C[N@@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CCOCC1 ZINC000052181925 522592268 /nfs/dbraw/zinc/59/22/68/522592268.db2.gz YJHWSQZGVNSJCS-UHFFFAOYSA-N 2 1 298.471 2.282 10 0 CEAEMP COCCC[N@@H+](CCCC[NH2+]C(C)(C)C)CCOC ZINC000052543181 523242006 /nfs/dbraw/zinc/24/20/06/523242006.db2.gz BFLWAGIVKUNITL-UHFFFAOYSA-N 2 1 274.449 2.140 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571023 523505152 /nfs/dbraw/zinc/50/51/52/523505152.db2.gz OAECVRKDRFGJCE-GOEBONIOSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571207 523517445 /nfs/dbraw/zinc/51/74/45/523517445.db2.gz IQQGAXOVLCMUJI-BXUZGUMPSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571207 523517452 /nfs/dbraw/zinc/51/74/52/523517452.db2.gz IQQGAXOVLCMUJI-BXUZGUMPSA-N 2 1 266.385 2.307 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789178 523821652 /nfs/dbraw/zinc/82/16/52/523821652.db2.gz YQTSYKNAJAPKHH-LLVKDONJSA-N 2 1 281.787 2.487 10 0 CEAEMP C[NH+](C)CC1CC[NH+]([C@H](CN)CCc2ccccc2)CC1 ZINC000061625004 524050151 /nfs/dbraw/zinc/05/01/51/524050151.db2.gz VGNGKTQDZHZESO-SFHVURJKSA-N 2 1 289.467 2.220 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180801 524219424 /nfs/dbraw/zinc/21/94/24/524219424.db2.gz YCVNKYXROCYFKG-CQSZACIVSA-N 2 1 266.429 2.267 10 0 CEAEMP C[C@H](CNCC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000052206195 524485484 /nfs/dbraw/zinc/48/54/84/524485484.db2.gz HXALIZKWYXZSRG-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@@H]1CC[C@@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125527 524557291 /nfs/dbraw/zinc/55/72/91/524557291.db2.gz QZMRSUKXUBXGFQ-QXSJWSMHSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H](C[NH2+]C1CC1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417300 524733896 /nfs/dbraw/zinc/73/38/96/524733896.db2.gz QMJJXTYQUVYKKK-HNNXBMFYSA-N 2 1 273.424 2.197 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940078 525015926 /nfs/dbraw/zinc/01/59/26/525015926.db2.gz JRLDYRDNYFSVOU-KBRIMQKVSA-N 2 1 291.414 2.384 10 0 CEAEMP Cc1csc(C[NH2+]C[C@@H](C[NH3+])c2ccccc2)n1 ZINC000061613672 526356013 /nfs/dbraw/zinc/35/60/13/526356013.db2.gz IFHFIARTFZJELT-CYBMUJFWSA-N 2 1 261.394 2.284 10 0 CEAEMP Cc1oc(C[N@@H+](C)CCc2ccncc2)cc1C[NH3+] ZINC000052483087 526769321 /nfs/dbraw/zinc/76/93/21/526769321.db2.gz QMBZWOYKUZTUON-UHFFFAOYSA-N 2 1 259.353 2.116 10 0 CEAEMP NC(=[NH2+])C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CCO ZINC000055022531 526818050 /nfs/dbraw/zinc/81/80/50/526818050.db2.gz VURIRHBENCPOER-HUUCEWRRSA-N 2 1 275.396 2.291 10 0 CEAEMP NC(=S)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000049582735 527108003 /nfs/dbraw/zinc/10/80/03/527108003.db2.gz ZQRLCPQJTKHAKQ-UHFFFAOYSA-N 2 1 283.485 2.393 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1CC[NH+]1CCCCC1 ZINC000052854108 527122429 /nfs/dbraw/zinc/12/24/29/527122429.db2.gz PCSLYSMJRNSHHY-UHFFFAOYSA-N 2 1 258.369 2.413 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052854410 527124128 /nfs/dbraw/zinc/12/41/28/527124128.db2.gz NEECZWUJFRQFCX-CYBMUJFWSA-N 2 1 256.353 2.336 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052854410 527124133 /nfs/dbraw/zinc/12/41/33/527124133.db2.gz NEECZWUJFRQFCX-CYBMUJFWSA-N 2 1 256.353 2.336 10 0 CEAEMP [NH3+]C[C@H](c1cc2ccccc2o1)N1CC[NH+](C2CC2)CC1 ZINC000068811516 527228684 /nfs/dbraw/zinc/22/86/84/527228684.db2.gz MCZKJBFNIGPPCV-OAHLLOKOSA-N 2 1 285.391 2.213 10 0 CEAEMP Cc1[nH+]ccn1CCOc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745141 527433020 /nfs/dbraw/zinc/43/30/20/527433020.db2.gz MAICJIWALKFMPU-JTQLQIEISA-N 2 1 263.316 2.429 10 0 CEAEMP Cn1cc[nH+]c1N(CCC[NH3+])C1CCCCCC1 ZINC000050605341 527445339 /nfs/dbraw/zinc/44/53/39/527445339.db2.gz FEDOGYAMYVWVHJ-UHFFFAOYSA-N 2 1 250.390 2.298 10 0 CEAEMP CC[NH2+]Cc1cccc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000094443318 535479696 /nfs/dbraw/zinc/47/96/96/535479696.db2.gz RMFCFGRTIREVGQ-HOCLYGCPSA-N 2 1 288.439 2.254 10 0 CEAEMP CC(C)[C@@H]1[NH2+][C@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142662 574510247 /nfs/dbraw/zinc/51/02/47/574510247.db2.gz DGASPWYKVFWDAY-DZGCQCFKSA-N 2 1 254.418 2.469 10 0 CEAEMP CC(C)[C@H]1[NH2+][C@@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142689 574510302 /nfs/dbraw/zinc/51/03/02/574510302.db2.gz DGASPWYKVFWDAY-HIFRSBDPSA-N 2 1 254.418 2.469 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CC1(CCC1)CO2 ZINC000757149045 574510582 /nfs/dbraw/zinc/51/05/82/574510582.db2.gz WCCZBCZMXXJSHW-UHFFFAOYSA-N 2 1 252.402 2.413 10 0 CEAEMP Cc1nn(C)c2sc([C@@H]3CC[C@H]([NH3+])[C@@H](C)[NH2+]3)cc12 ZINC000757216559 574513279 /nfs/dbraw/zinc/51/32/79/574513279.db2.gz QIASVOUDHOVFTF-MIMYLULJSA-N 2 1 264.398 2.084 10 0 CEAEMP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399192885 628782593 /nfs/dbraw/zinc/78/25/93/628782593.db2.gz QQRMIHRXUMYTJG-ZDUSSCGKSA-N 2 1 256.434 2.248 10 0 CEAEMP Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262037200 629493146 /nfs/dbraw/zinc/49/31/46/629493146.db2.gz YBEUBNVAKNOLKG-KSZLIROESA-N 2 1 288.435 2.284 10 0 CEAEMP Cc1ccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231669920 639872046 /nfs/dbraw/zinc/87/20/46/639872046.db2.gz SQGNXNWBSIMVNB-HNNXBMFYSA-N 2 1 262.397 2.448 10 0 CEAEMP CCC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000126337853 365706486 /nfs/dbraw/zinc/70/64/86/365706486.db2.gz GWJVXKCXUGMXKC-PMPSAXMXSA-N 2 1 295.471 2.190 10 0 CEAEMP Cc1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000336720594 365784993 /nfs/dbraw/zinc/78/49/93/365784993.db2.gz UILGGJYAAXGFCG-QGZVFWFLSA-N 2 1 298.434 2.340 10 0 CEAEMP Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)co1 ZINC000328350786 539345686 /nfs/dbraw/zinc/34/56/86/539345686.db2.gz NHIKLOYOPJPTBS-ZBFHGGJFSA-N 2 1 271.364 2.157 10 0 CEAEMP Cc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)co1 ZINC000328350786 539345692 /nfs/dbraw/zinc/34/56/92/539345692.db2.gz NHIKLOYOPJPTBS-ZBFHGGJFSA-N 2 1 271.364 2.157 10 0 CEAEMP C[C@@H](C[NH3+])[C@H](C)Nc1cc[nH+]cc1Br ZINC000228820712 344564175 /nfs/dbraw/zinc/56/41/75/344564175.db2.gz PLSDORCGEIBZHK-YUMQZZPRSA-N 2 1 258.163 2.239 10 0 CEAEMP Cc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC000328656154 344757989 /nfs/dbraw/zinc/75/79/89/344757989.db2.gz ZBBOMHWKVATIPP-CQSZACIVSA-N 2 1 270.380 2.281 10 0 CEAEMP Cc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC000328656154 344757992 /nfs/dbraw/zinc/75/79/92/344757992.db2.gz ZBBOMHWKVATIPP-CQSZACIVSA-N 2 1 270.380 2.281 10 0 CEAEMP COc1cccc([C@@]23CC[N@@H+](C)[C@@H](C[C@@H]([NH3+])C2)C3)c1 ZINC000584624859 344968354 /nfs/dbraw/zinc/96/83/54/344968354.db2.gz FSEJGVIGKUJPSS-YCPHGPKFSA-N 2 1 260.381 2.148 10 0 CEAEMP CC[NH2+][C@H](CCc1[nH+]ccn1C)c1cncc(F)c1 ZINC000097451887 185608942 /nfs/dbraw/zinc/60/89/42/185608942.db2.gz ABSCEPHHYXFIQH-CYBMUJFWSA-N 2 1 262.332 2.238 10 0 CEAEMP CC(C)C[N@H+](C[C@@](O)(C[NH3+])c1ccccc1)C(C)C ZINC000085301513 179010283 /nfs/dbraw/zinc/01/02/83/179010283.db2.gz WXYAVPRRMMUPJL-INIZCTEOSA-N 2 1 264.413 2.199 10 0 CEAEMP CC(C)C[N@@H+](C[C@@](O)(C[NH3+])c1ccccc1)C(C)C ZINC000085301513 179010285 /nfs/dbraw/zinc/01/02/85/179010285.db2.gz WXYAVPRRMMUPJL-INIZCTEOSA-N 2 1 264.413 2.199 10 0 CEAEMP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000085385186 179046749 /nfs/dbraw/zinc/04/67/49/179046749.db2.gz VKHDYUBBXVXZDU-QEJZJMRPSA-N 2 1 266.429 2.264 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000086145725 179238849 /nfs/dbraw/zinc/23/88/49/179238849.db2.gz KGAZNWSCDHYSPJ-SFHVURJKSA-N 2 1 287.451 2.365 10 0 CEAEMP CC[NH+]1CCC(CN2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000086145725 179238850 /nfs/dbraw/zinc/23/88/50/179238850.db2.gz KGAZNWSCDHYSPJ-SFHVURJKSA-N 2 1 287.451 2.365 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086145745 179239137 /nfs/dbraw/zinc/23/91/37/179239137.db2.gz JBQKDJPNUOPXAF-SJLPKXTDSA-N 2 1 287.451 2.149 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223043 179250570 /nfs/dbraw/zinc/25/05/70/179250570.db2.gz QULBKMIHSUVPOB-CVEARBPZSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223957 179253399 /nfs/dbraw/zinc/25/33/99/179253399.db2.gz HMRFOEJLMKOTKM-UAGQMJEPSA-N 2 1 279.472 2.323 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223959 179253932 /nfs/dbraw/zinc/25/39/32/179253932.db2.gz HMRFOEJLMKOTKM-USXIJHARSA-N 2 1 279.472 2.323 10 0 CEAEMP C[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259357 179257712 /nfs/dbraw/zinc/25/77/12/179257712.db2.gz FNJLZPVCPZPIQI-CABCVRRESA-N 2 1 265.445 2.077 10 0 CEAEMP CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259116 179258620 /nfs/dbraw/zinc/25/86/20/179258620.db2.gz DQKNOGUFTROAKU-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259116 179258621 /nfs/dbraw/zinc/25/86/21/179258621.db2.gz DQKNOGUFTROAKU-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)C[C@H]1C[N@H+](CCCC[NH+](C)C)[C@@H](C)CN1 ZINC000086261094 179259896 /nfs/dbraw/zinc/25/98/96/179259896.db2.gz WPNYUGXJJKQMEG-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCCC[NH+](C)C)[C@@H](C)CN1 ZINC000086261094 179259898 /nfs/dbraw/zinc/25/98/98/179259898.db2.gz WPNYUGXJJKQMEG-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260736 179260167 /nfs/dbraw/zinc/26/01/67/179260167.db2.gz ASKZXNSRNVONQU-HZPDHXFCSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288174 179264971 /nfs/dbraw/zinc/26/49/71/179264971.db2.gz VZYSIVFLYFNYAO-GDBMZVCRSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288174 179264973 /nfs/dbraw/zinc/26/49/73/179264973.db2.gz VZYSIVFLYFNYAO-GDBMZVCRSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288657 179265000 /nfs/dbraw/zinc/26/50/00/179265000.db2.gz XNSAPQJDHSVOEJ-INIZCTEOSA-N 2 1 279.472 2.326 10 0 CEAEMP C[N@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288718 179265038 /nfs/dbraw/zinc/26/50/38/179265038.db2.gz DCRODKPRYUBNEW-WBVHZDCISA-N 2 1 279.472 2.182 10 0 CEAEMP CC(C)C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086259071 179256783 /nfs/dbraw/zinc/25/67/83/179256783.db2.gz ZEKUCDVUGLFAGP-HOCLYGCPSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086259071 179256785 /nfs/dbraw/zinc/25/67/85/179256785.db2.gz ZEKUCDVUGLFAGP-HOCLYGCPSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259010 179257127 /nfs/dbraw/zinc/25/71/27/179257127.db2.gz JDZGONGKYRXWRD-HZPDHXFCSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259010 179257130 /nfs/dbraw/zinc/25/71/30/179257130.db2.gz JDZGONGKYRXWRD-HZPDHXFCSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@H](C(C)C)C2)CC1 ZINC000086291543 179266144 /nfs/dbraw/zinc/26/61/44/179266144.db2.gz SGLDCSZXGAPRDS-INIZCTEOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@H](C(C)C)C2)CC1 ZINC000086291543 179266146 /nfs/dbraw/zinc/26/61/46/179266146.db2.gz SGLDCSZXGAPRDS-INIZCTEOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292994 179266306 /nfs/dbraw/zinc/26/63/06/179266306.db2.gz AITWLCAIYVXLJG-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CN2CCC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086293029 179266543 /nfs/dbraw/zinc/26/65/43/179266543.db2.gz SDULZPVDRKKBQG-NVXWUHKLSA-N 2 1 279.472 2.181 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CCC[NH2+]C2(CCCC2)C1 ZINC000086291695 179266860 /nfs/dbraw/zinc/26/68/60/179266860.db2.gz JBNLRPYGMYTSBA-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP CC(C)[C@@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296875 179267389 /nfs/dbraw/zinc/26/73/89/179267389.db2.gz HSATZBHMPQDMFY-LBPRGKRZSA-N 2 1 253.415 2.006 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296875 179267392 /nfs/dbraw/zinc/26/73/92/179267392.db2.gz HSATZBHMPQDMFY-LBPRGKRZSA-N 2 1 253.415 2.006 10 0 CEAEMP C[C@@H](CNC1=[NH+]C[C@H](C)CS1)[NH+]1CCCCC1 ZINC000086633181 179314811 /nfs/dbraw/zinc/31/48/11/179314811.db2.gz MQTVXRKQYOXNHN-RYUDHWBXSA-N 2 1 255.431 2.189 10 0 CEAEMP C[N@H+](Cc1ccc(Br)o1)CC(C)(C)C[NH3+] ZINC000086637529 179315258 /nfs/dbraw/zinc/31/52/58/179315258.db2.gz AAXOEUJBJQFNDF-UHFFFAOYSA-N 2 1 275.190 2.459 10 0 CEAEMP C[N@@H+](Cc1ccc(Br)o1)CC(C)(C)C[NH3+] ZINC000086637529 179315260 /nfs/dbraw/zinc/31/52/60/179315260.db2.gz AAXOEUJBJQFNDF-UHFFFAOYSA-N 2 1 275.190 2.459 10 0 CEAEMP Cc1[nH+]ccn1CCO[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713102 179322987 /nfs/dbraw/zinc/32/29/87/179322987.db2.gz NROKQHFCSLZLRY-OCCSQVGLSA-N 2 1 251.374 2.116 10 0 CEAEMP CN(Cc1cccc(F)c1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819258 179348620 /nfs/dbraw/zinc/34/86/20/179348620.db2.gz RRVWLYVWUQZPLL-MRXNPFEDSA-N 2 1 279.403 2.071 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817200 179344539 /nfs/dbraw/zinc/34/45/39/179344539.db2.gz RWQZACIQPPRCGH-SJORKVTESA-N 2 1 275.440 2.363 10 0 CEAEMP CN(C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817200 179344540 /nfs/dbraw/zinc/34/45/40/179344540.db2.gz RWQZACIQPPRCGH-SJORKVTESA-N 2 1 275.440 2.363 10 0 CEAEMP CN(C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817200 179344542 /nfs/dbraw/zinc/34/45/42/179344542.db2.gz RWQZACIQPPRCGH-SJORKVTESA-N 2 1 275.440 2.363 10 0 CEAEMP CCC(CC)[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817433 179344591 /nfs/dbraw/zinc/34/45/91/179344591.db2.gz AAABTIGNWLUIFL-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2scnc2C)CC1 ZINC000086848807 179356767 /nfs/dbraw/zinc/35/67/67/179356767.db2.gz IHZONIPQRZZCCB-OAHLLOKOSA-N 2 1 296.484 2.087 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836705 179351671 /nfs/dbraw/zinc/35/16/71/179351671.db2.gz GGWIIWWGSYUUET-CVEARBPZSA-N 2 1 284.444 2.036 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843355 179353218 /nfs/dbraw/zinc/35/32/18/179353218.db2.gz AOBGCPQRRYTECS-MRXNPFEDSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841979 179353939 /nfs/dbraw/zinc/35/39/39/179353939.db2.gz IJRVVUULCVGYGO-GJZGRUSLSA-N 2 1 283.460 2.144 10 0 CEAEMP COc1cccc(C[N@H+](C)[C@]2(C[NH3+])CCCOCC2)c1 ZINC000086875139 179364787 /nfs/dbraw/zinc/36/47/87/179364787.db2.gz WHRCRHZFANDRHP-MRXNPFEDSA-N 2 1 278.396 2.025 10 0 CEAEMP COc1cccc(C[N@@H+](C)[C@]2(C[NH3+])CCCOCC2)c1 ZINC000086875139 179364789 /nfs/dbraw/zinc/36/47/89/179364789.db2.gz WHRCRHZFANDRHP-MRXNPFEDSA-N 2 1 278.396 2.025 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848901 179358530 /nfs/dbraw/zinc/35/85/30/179358530.db2.gz ABLBTGWGTRIJCY-ZNMIVQPWSA-N 2 1 285.501 2.016 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000086891365 179366306 /nfs/dbraw/zinc/36/63/06/179366306.db2.gz YVFVMRKIDVRESF-BRWVUGGUSA-N 2 1 279.472 2.454 10 0 CEAEMP CC1(C)CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086920924 179368180 /nfs/dbraw/zinc/36/81/80/179368180.db2.gz XIZXDQBGOIYTNV-HNNXBMFYSA-N 2 1 254.418 2.003 10 0 CEAEMP C[NH2+][C@@H](CSC1CCCC1)Cc1cc[nH+]c(N)c1 ZINC000087144705 179397129 /nfs/dbraw/zinc/39/71/29/179397129.db2.gz DUIABBMNPNDKOH-GFCCVEGCSA-N 2 1 265.426 2.470 10 0 CEAEMP CCC[NH2+]Cc1cccnc1OC[C@H]1CCCC[N@H+]1C ZINC000088166085 179561464 /nfs/dbraw/zinc/56/14/64/179561464.db2.gz SDCVFFIDHYRDKC-OAHLLOKOSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000090566546 180005335 /nfs/dbraw/zinc/00/53/35/180005335.db2.gz QKNBODKZZWNBCA-RRFJBIMHSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1cccs1 ZINC000090566142 180006098 /nfs/dbraw/zinc/00/60/98/180006098.db2.gz KFRXVKXNLAMYJR-GXTWGEPZSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1cccs1 ZINC000090566142 180006100 /nfs/dbraw/zinc/00/61/00/180006100.db2.gz KFRXVKXNLAMYJR-GXTWGEPZSA-N 2 1 268.426 2.195 10 0 CEAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900367 180058536 /nfs/dbraw/zinc/05/85/36/180058536.db2.gz QTEWATYHTHJHLS-DWZYQQQCSA-N 2 1 292.810 2.183 10 0 CEAEMP C[NH2+]Cc1cn(Cc2c[nH+]cn2C2CC2)c2ncccc12 ZINC000091019706 180087767 /nfs/dbraw/zinc/08/77/67/180087767.db2.gz QLRJJGVVVDDDMG-UHFFFAOYSA-N 2 1 281.363 2.335 10 0 CEAEMP CCCn1c[nH+]cc1Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019837 180087859 /nfs/dbraw/zinc/08/78/59/180087859.db2.gz WMUOXDSLPQHQAS-UHFFFAOYSA-N 2 1 283.379 2.411 10 0 CEAEMP CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000091432378 180153777 /nfs/dbraw/zinc/15/37/77/180153777.db2.gz DDFOYQXRUWWMRO-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000091432378 180153779 /nfs/dbraw/zinc/15/37/79/180153779.db2.gz DDFOYQXRUWWMRO-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)CN1CCC[N@@H+](C)CC1 ZINC000091402636 180146975 /nfs/dbraw/zinc/14/69/75/180146975.db2.gz UCTCNPYUGPPSGZ-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)CN1CCC(C[NH+](C)C)CC1 ZINC000091403500 180147508 /nfs/dbraw/zinc/14/75/08/180147508.db2.gz URRSBKNIJYRKBO-CQSZACIVSA-N 2 1 269.477 2.284 10 0 CEAEMP C[NH2+][C@@H](Cc1ccncc1)C(C)(C)[NH+]1CCCCC1 ZINC000091564977 180193257 /nfs/dbraw/zinc/19/32/57/180193257.db2.gz OBSDTEVTXFRBSR-HNNXBMFYSA-N 2 1 261.413 2.477 10 0 CEAEMP Cn1nc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)c2ccccc21 ZINC000091533706 180181466 /nfs/dbraw/zinc/18/14/66/180181466.db2.gz YBBUVFLBVVXFKU-INIZCTEOSA-N 2 1 286.423 2.318 10 0 CEAEMP C[NH2+][C@@H](CC[C@H]1CCCO1)C(C)(C)[NH+]1CCCC1 ZINC000091534557 180181600 /nfs/dbraw/zinc/18/16/00/180181600.db2.gz BCACUXIIJDDZTR-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH+](C)C1([C@@H](N)Cc2cc[nH+]c(N)c2)CCCCCC1 ZINC000091654076 180217469 /nfs/dbraw/zinc/21/74/69/180217469.db2.gz OKRAGQWEGYOCNY-AWEZNQCLSA-N 2 1 276.428 2.188 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091723184 180242014 /nfs/dbraw/zinc/24/20/14/180242014.db2.gz MLRXBCORFBBKAG-TZMCWYRMSA-N 2 1 295.452 2.424 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc([C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091723184 180242016 /nfs/dbraw/zinc/24/20/16/180242016.db2.gz MLRXBCORFBBKAG-TZMCWYRMSA-N 2 1 295.452 2.424 10 0 CEAEMP COC(=O)c1oc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000091847622 180270865 /nfs/dbraw/zinc/27/08/65/180270865.db2.gz VAABTZDFKIGNPQ-UHFFFAOYSA-N 2 1 280.368 2.076 10 0 CEAEMP CC[N@@H+]([C@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091849628 180270987 /nfs/dbraw/zinc/27/09/87/180270987.db2.gz YCIVMDALVBOJCU-QOZQQMKHSA-N 2 1 276.380 2.418 10 0 CEAEMP CC[N@@H+](Cc1ccc(OC)c(O)c1)C1CCC([NH3+])CC1 ZINC000091849745 180271753 /nfs/dbraw/zinc/27/17/53/180271753.db2.gz YHBBQZKOOLDYOI-UHFFFAOYSA-N 2 1 278.396 2.493 10 0 CEAEMP CC[N@@H+](Cc1cncn1C1CC1)C1CCC([NH3+])CC1 ZINC000091849924 180272003 /nfs/dbraw/zinc/27/20/03/180272003.db2.gz KAORYJUNWNCFMC-UHFFFAOYSA-N 2 1 262.401 2.310 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)N2CCCC2)CC1 ZINC000091870157 180276899 /nfs/dbraw/zinc/27/68/99/180276899.db2.gz YVBRRDZUWZYNBZ-QQFBHYJXSA-N 2 1 295.471 2.240 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000091870300 180277147 /nfs/dbraw/zinc/27/71/47/180277147.db2.gz QIDWIRNQVJBRST-NRXISQOPSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000091870447 180277554 /nfs/dbraw/zinc/27/75/54/180277554.db2.gz RMAUFOAYGAMGIZ-QQFBHYJXSA-N 2 1 295.471 2.240 10 0 CEAEMP C[N@H+]1CCC[C@](O)(C2(C[NH3+])CCC(C)(C)CC2)CC1 ZINC000091922357 180286799 /nfs/dbraw/zinc/28/67/99/180286799.db2.gz NQIJZVIIGJEZOQ-MRXNPFEDSA-N 2 1 268.445 2.379 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc(CC[C@@H](C)[NH3+])cc2)C1 ZINC000092050966 180312078 /nfs/dbraw/zinc/31/20/78/180312078.db2.gz YGITWIMOLNRMAW-RHSMWYFYSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc(CC[C@@H](C)[NH3+])cc2)C1 ZINC000092050966 180312079 /nfs/dbraw/zinc/31/20/79/180312079.db2.gz YGITWIMOLNRMAW-RHSMWYFYSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2cc(C)ccc2[C@@H](C)[NH3+])C1 ZINC000092051358 180312822 /nfs/dbraw/zinc/31/28/22/180312822.db2.gz ZECCQYXKKPVWRR-KGLIPLIRSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2cc(C)ccc2[C@@H](C)[NH3+])C1 ZINC000092051358 180312823 /nfs/dbraw/zinc/31/28/23/180312823.db2.gz ZECCQYXKKPVWRR-KGLIPLIRSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2c(C)noc2C)CC1 ZINC000092329669 180363619 /nfs/dbraw/zinc/36/36/19/180363619.db2.gz ZQZRZJVCVNBWTR-ZDUSSCGKSA-N 2 1 251.374 2.255 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2c(C)noc2C)CC1 ZINC000092329669 180363621 /nfs/dbraw/zinc/36/36/21/180363621.db2.gz ZQZRZJVCVNBWTR-ZDUSSCGKSA-N 2 1 251.374 2.255 10 0 CEAEMP C[N@@H+](Cc1cccc(Cl)n1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000092366908 180369245 /nfs/dbraw/zinc/36/92/45/180369245.db2.gz ZUNAABOWFYBDTR-PWSUYJOCSA-N 2 1 253.777 2.294 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594777 186264817 /nfs/dbraw/zinc/26/48/17/186264817.db2.gz LDDVTODOITXNLH-ZDUSSCGKSA-N 2 1 285.391 2.115 10 0 CEAEMP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000109604095 186267566 /nfs/dbraw/zinc/26/75/66/186267566.db2.gz JVQUBNBVCQJSQZ-HNNXBMFYSA-N 2 1 276.380 2.063 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1CCC[N@@H+](C)C1 ZINC000110629701 186307665 /nfs/dbraw/zinc/30/76/65/186307665.db2.gz JBAQXDVLBCSSQN-VIFPVBQESA-N 2 1 278.331 2.033 10 0 CEAEMP CC[N@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000110943664 186335301 /nfs/dbraw/zinc/33/53/01/186335301.db2.gz SDQZRWNMRIFOGQ-CYBMUJFWSA-N 2 1 293.386 2.228 10 0 CEAEMP CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000110943664 186335302 /nfs/dbraw/zinc/33/53/02/186335302.db2.gz SDQZRWNMRIFOGQ-CYBMUJFWSA-N 2 1 293.386 2.228 10 0 CEAEMP CC[C@H]([C@@H]([NH3+])c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716311 186315275 /nfs/dbraw/zinc/31/52/75/186315275.db2.gz KPPMPLTZOGSVQU-CVEARBPZSA-N 2 1 275.440 2.491 10 0 CEAEMP CC(C)[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110712764 186316724 /nfs/dbraw/zinc/31/67/24/186316724.db2.gz CIFKFJVQHZIIJY-UAGQMJEPSA-N 2 1 275.440 2.347 10 0 CEAEMP CC[C@@H]1CN(CC(C)(C)C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110746635 186318675 /nfs/dbraw/zinc/31/86/75/186318675.db2.gz BADRINYJVJMZGP-CQSZACIVSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CN(CC(CC)(CC)C[NH2+]C)CC[N@H+]1C ZINC000110746652 186318993 /nfs/dbraw/zinc/31/89/93/186318993.db2.gz HGALBVYCSVUIHS-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@H]1C[N@H+](CC(CC)(CC)C[NH2+]C)CCN1C ZINC000110746652 186318995 /nfs/dbraw/zinc/31/89/95/186318995.db2.gz HGALBVYCSVUIHS-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@H]1C[N@@H+](CC(CC)(CC)C[NH2+]C)CCN1C ZINC000110746652 186318996 /nfs/dbraw/zinc/31/89/96/186318996.db2.gz HGALBVYCSVUIHS-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCN(CC[NH2+][C@@H](C)c2cccs2)C[C@@H]1C ZINC000110756611 186319647 /nfs/dbraw/zinc/31/96/47/186319647.db2.gz GFWWNQWLCXVUBG-KBPBESRZSA-N 2 1 281.469 2.425 10 0 CEAEMP CCC[C@](C)(C[NH2+]C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747088 186319718 /nfs/dbraw/zinc/31/97/18/186319718.db2.gz FKEVJRBTIPFYLU-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@](C)(C[NH2+]C1CC1)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747277 186320307 /nfs/dbraw/zinc/32/03/07/186320307.db2.gz ZXAONFYHUHRNDX-INIZCTEOSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[C@@](C)(C[NH2+]CC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747093 186320683 /nfs/dbraw/zinc/32/06/83/186320683.db2.gz WTSXKSNZPHOMMM-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]Cc1oc(CN2CC[N@@H+](C)[C@@H](CC)C2)cc1C ZINC000110754383 186320800 /nfs/dbraw/zinc/32/08/00/186320800.db2.gz YNNGEWFHSRKYMC-AWEZNQCLSA-N 2 1 279.428 2.224 10 0 CEAEMP CC[NH2+]C[C@@](C)(CC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747257 186320865 /nfs/dbraw/zinc/32/08/65/186320865.db2.gz RCXRUXKZKSKPID-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP C[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171868 186365472 /nfs/dbraw/zinc/36/54/72/186365472.db2.gz IHVGWLXUHXQWEY-ZNMIVQPWSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C[C@@H]2CCCOC2)O1 ZINC000111174863 186365510 /nfs/dbraw/zinc/36/55/10/186365510.db2.gz APGZVLZBGJQWGT-YESZJQIVSA-N 2 1 298.471 2.138 10 0 CEAEMP C[N@@H+](CC1CCOCC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000111172606 186365625 /nfs/dbraw/zinc/36/56/25/186365625.db2.gz XFGRBIAOHAYVKD-GJZGRUSLSA-N 2 1 254.418 2.252 10 0 CEAEMP C[N@H+](CC1CCOCC1)C[C@](C)(C[NH3+])c1ccccc1 ZINC000111172842 186365725 /nfs/dbraw/zinc/36/57/25/186365725.db2.gz IESZCFOJZVGCPN-KRWDZBQOSA-N 2 1 276.424 2.261 10 0 CEAEMP C[N@@H+](CC1CCOCC1)C[C@](C)(C[NH3+])c1ccccc1 ZINC000111172842 186365727 /nfs/dbraw/zinc/36/57/27/186365727.db2.gz IESZCFOJZVGCPN-KRWDZBQOSA-N 2 1 276.424 2.261 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171583 186365812 /nfs/dbraw/zinc/36/58/12/186365812.db2.gz KSSULESNWYZSJI-GJZGRUSLSA-N 2 1 256.434 2.371 10 0 CEAEMP CCCCOC(=O)C[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000111697116 186444445 /nfs/dbraw/zinc/44/44/45/186444445.db2.gz YDIVZTWHDOXJTO-UHFFFAOYSA-N 2 1 284.444 2.430 10 0 CEAEMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc(C)c1O ZINC000211508409 539905250 /nfs/dbraw/zinc/90/52/50/539905250.db2.gz ZFURUZBRYGALEO-AWEZNQCLSA-N 2 1 262.397 2.393 10 0 CEAEMP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc(C)c1O ZINC000211508409 539905254 /nfs/dbraw/zinc/90/52/54/539905254.db2.gz ZFURUZBRYGALEO-AWEZNQCLSA-N 2 1 262.397 2.393 10 0 CEAEMP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc(C)c1O ZINC000211508409 539905258 /nfs/dbraw/zinc/90/52/58/539905258.db2.gz ZFURUZBRYGALEO-AWEZNQCLSA-N 2 1 262.397 2.393 10 0 CEAEMP CCC[C@@H](C[NH3+])C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000087535275 535341566 /nfs/dbraw/zinc/34/15/66/535341566.db2.gz ATTMHQHTUROFAS-HNNXBMFYSA-N 2 1 291.439 2.192 10 0 CEAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000364797909 283352344 /nfs/dbraw/zinc/35/23/44/283352344.db2.gz RJOYJDBKQLOSGT-BARDWOONSA-N 2 1 266.429 2.121 10 0 CEAEMP CCOC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115777 366622823 /nfs/dbraw/zinc/62/28/23/366622823.db2.gz GELSOEDIKXHNKN-CQSZACIVSA-N 2 1 291.395 2.077 10 0 CEAEMP CCOC(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115777 366622827 /nfs/dbraw/zinc/62/28/27/366622827.db2.gz GELSOEDIKXHNKN-CQSZACIVSA-N 2 1 291.395 2.077 10 0 CEAEMP O[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C[NH+]1CCCCC1 ZINC000151268017 366635532 /nfs/dbraw/zinc/63/55/32/366635532.db2.gz XEWQHMFVPSDGGS-DOTOQJQBSA-N 2 1 274.408 2.110 10 0 CEAEMP Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(C(C)C)n1 ZINC000154781440 366790596 /nfs/dbraw/zinc/79/05/96/366790596.db2.gz YRLVQAJCRQFJIU-OLZOCXBDSA-N 2 1 278.400 2.039 10 0 CEAEMP CC/C=C\CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000342220731 367394466 /nfs/dbraw/zinc/39/44/66/367394466.db2.gz SBSUCZWHZIBMJS-IYKSTZQJSA-N 2 1 268.445 2.367 10 0 CEAEMP C[C@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838445 367579188 /nfs/dbraw/zinc/57/91/88/367579188.db2.gz OGVOTMLYELTKAJ-ZFWWWQNUSA-N 2 1 254.418 2.110 10 0 CEAEMP C[N@@H+](Cc1cnc2ccccn12)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914411 541608352 /nfs/dbraw/zinc/60/83/52/541608352.db2.gz FOANSENEVYJKIA-AWEZNQCLSA-N 2 1 295.390 2.225 10 0 CEAEMP C[N@H+](Cc1cnc2ccccn12)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914411 541608355 /nfs/dbraw/zinc/60/83/55/541608355.db2.gz FOANSENEVYJKIA-AWEZNQCLSA-N 2 1 295.390 2.225 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000634999117 369033094 /nfs/dbraw/zinc/03/30/94/369033094.db2.gz QFWNDAFDNRUHHV-OCCSQVGLSA-N 2 1 255.365 2.261 10 0 CEAEMP CCn1nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000634999663 369035041 /nfs/dbraw/zinc/03/50/41/369035041.db2.gz XNKGFKYZGPMBMB-STQMWFEESA-N 2 1 272.396 2.083 10 0 CEAEMP CCn1nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000634999663 369035045 /nfs/dbraw/zinc/03/50/45/369035045.db2.gz XNKGFKYZGPMBMB-STQMWFEESA-N 2 1 272.396 2.083 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000231457693 370479331 /nfs/dbraw/zinc/47/93/31/370479331.db2.gz FONNLKSPHJMHEY-CYBMUJFWSA-N 2 1 266.360 2.408 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000248371800 371182284 /nfs/dbraw/zinc/18/22/84/371182284.db2.gz ZBXICFJPSPXFEN-HNNXBMFYSA-N 2 1 289.423 2.377 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[N@H+]3CCCC[C@H]3C2)c1C ZINC000248371800 371182288 /nfs/dbraw/zinc/18/22/88/371182288.db2.gz ZBXICFJPSPXFEN-HNNXBMFYSA-N 2 1 289.423 2.377 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C12CCOCC2 ZINC000248918008 371270566 /nfs/dbraw/zinc/27/05/66/371270566.db2.gz DLOMBGUIDGTBJX-YHUYYLMFSA-N 2 1 296.455 2.033 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCOCC2 ZINC000248918008 371270570 /nfs/dbraw/zinc/27/05/70/371270570.db2.gz DLOMBGUIDGTBJX-YHUYYLMFSA-N 2 1 296.455 2.033 10 0 CEAEMP COC[C@@H](C)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249984138 371374589 /nfs/dbraw/zinc/37/45/89/371374589.db2.gz ZAQQMQDCJGNPLX-ZFWWWQNUSA-N 2 1 277.412 2.406 10 0 CEAEMP COC[C@@H](C)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249984138 371374592 /nfs/dbraw/zinc/37/45/92/371374592.db2.gz ZAQQMQDCJGNPLX-ZFWWWQNUSA-N 2 1 277.412 2.406 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1c1ccccc1 ZINC000261616755 371679713 /nfs/dbraw/zinc/67/97/13/371679713.db2.gz CUXCGXVILQBRHB-SJORKVTESA-N 2 1 267.376 2.256 10 0 CEAEMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262027614 371803259 /nfs/dbraw/zinc/80/32/59/371803259.db2.gz XEUWXLACLBZTBR-KURKYZTESA-N 2 1 288.435 2.284 10 0 CEAEMP CC[C@H]1CCC[N@@H+](CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085240516 184609026 /nfs/dbraw/zinc/60/90/26/184609026.db2.gz QQKXXIWPPPHDCG-HOCLYGCPSA-N 2 1 268.445 2.392 10 0 CEAEMP COC[C@H]1CC[N@@H+](C[C@@]2(C[NH2+]C(C)(C)C)CCCOC2)C1 ZINC000081115922 177773225 /nfs/dbraw/zinc/77/32/25/177773225.db2.gz FXHSUZDUCCROCC-RDJZCZTQSA-N 2 1 298.471 2.140 10 0 CEAEMP CCNc1cc[nH+]c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000094465182 184805386 /nfs/dbraw/zinc/80/53/86/184805386.db2.gz YRUDFCZTBYOWBX-BBRMVZONSA-N 2 1 274.412 2.182 10 0 CEAEMP CC[NH2+]CC1(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CCCC1 ZINC000094465719 184806927 /nfs/dbraw/zinc/80/69/27/184806927.db2.gz DCSMTEBBCRQWQD-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP CCc1cc(N2CCC[C@@H](C[NH2+]C3CC3)C2)nc(C)[nH+]1 ZINC000088760890 135057066 /nfs/dbraw/zinc/05/70/66/135057066.db2.gz WLDJNQOMHJYIJB-ZDUSSCGKSA-N 2 1 274.412 2.316 10 0 CEAEMP C[C@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957722 135077691 /nfs/dbraw/zinc/07/76/91/135077691.db2.gz LDDFOMIKJXNFFY-ZIAGYGMSSA-N 2 1 293.842 2.460 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000093068599 135078839 /nfs/dbraw/zinc/07/88/39/135078839.db2.gz NSXMVKVPKOQDGX-CABCVRRESA-N 2 1 291.439 2.061 10 0 CEAEMP Nc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2cc[nH+]cc12 ZINC000094439052 135087869 /nfs/dbraw/zinc/08/78/69/135087869.db2.gz HFALUBUOOCZQHV-CYBMUJFWSA-N 2 1 282.391 2.492 10 0 CEAEMP Nc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c2cc[nH+]cc12 ZINC000094439052 135087871 /nfs/dbraw/zinc/08/78/71/135087871.db2.gz HFALUBUOOCZQHV-CYBMUJFWSA-N 2 1 282.391 2.492 10 0 CEAEMP NC(=[NH2+])c1ccc(Cl)cc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439616 135087886 /nfs/dbraw/zinc/08/78/86/135087886.db2.gz CYXBINFIUWRLES-GFCCVEGCSA-N 2 1 292.814 2.299 10 0 CEAEMP C[C@H]([NH3+])Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444539 135088722 /nfs/dbraw/zinc/08/87/22/135088722.db2.gz HWQXJUHUCGEZQF-DZGCQCFKSA-N 2 1 291.414 2.390 10 0 CEAEMP C[C@@H]1C[N@H+]([C@H]2CCCC23CCOCC3)C[C@@]1(C)C[NH3+] ZINC000311379233 394537103 /nfs/dbraw/zinc/53/71/03/394537103.db2.gz ARHLVOSRZUHUII-QLFBSQMISA-N 2 1 266.429 2.252 10 0 CEAEMP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248432186 394540610 /nfs/dbraw/zinc/54/06/10/394540610.db2.gz QGBOSHYIJFGFOQ-KBPBESRZSA-N 2 1 263.385 2.159 10 0 CEAEMP CO[C@@H](C)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248432186 394540614 /nfs/dbraw/zinc/54/06/14/394540614.db2.gz QGBOSHYIJFGFOQ-KBPBESRZSA-N 2 1 263.385 2.159 10 0 CEAEMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000162014155 395069506 /nfs/dbraw/zinc/06/95/06/395069506.db2.gz KYGSDIHMBUEUIG-BETUJISGSA-N 2 1 251.374 2.081 10 0 CEAEMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000162014155 395069509 /nfs/dbraw/zinc/06/95/09/395069509.db2.gz KYGSDIHMBUEUIG-BETUJISGSA-N 2 1 251.374 2.081 10 0 CEAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000263118160 154022474 /nfs/dbraw/zinc/02/24/74/154022474.db2.gz ASZXETSAWATWSX-ZWKOTPCHSA-N 2 1 282.387 2.024 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000563445933 298778550 /nfs/dbraw/zinc/77/85/50/298778550.db2.gz PSRHSVAXFMJQHB-LSDHHAIUSA-N 3 1 267.461 2.229 10 0 CEAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@H+](C)CCc2ccccn2)C1 ZINC000020260938 171118536 /nfs/dbraw/zinc/11/85/36/171118536.db2.gz VDVKOLCYVNFAMW-BMFZPTHFSA-N 2 1 261.413 2.462 10 0 CEAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000020260938 171118537 /nfs/dbraw/zinc/11/85/37/171118537.db2.gz VDVKOLCYVNFAMW-BMFZPTHFSA-N 2 1 261.413 2.462 10 0 CEAEMP CCCCCNC(=O)[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365713 171164186 /nfs/dbraw/zinc/16/41/86/171164186.db2.gz WMCYTUACJBTOKG-CQSZACIVSA-N 2 1 271.449 2.003 10 0 CEAEMP C[N@@H+](C[C@@H](C[NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000035731476 172381579 /nfs/dbraw/zinc/38/15/79/172381579.db2.gz JISJBMFNFSLKLD-ZIAGYGMSSA-N 2 1 250.411 2.166 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037321294 173122270 /nfs/dbraw/zinc/12/22/70/173122270.db2.gz BPZAUSMCWRWQQH-HZPDHXFCSA-N 2 1 266.429 2.310 10 0 CEAEMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@H+](C)C1 ZINC000040667119 174366591 /nfs/dbraw/zinc/36/65/91/174366591.db2.gz UIGPRUDLOKWPHC-JSGCOSHPSA-N 2 1 276.380 2.235 10 0 CEAEMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@@H+](C)C1 ZINC000040667119 174366593 /nfs/dbraw/zinc/36/65/93/174366593.db2.gz UIGPRUDLOKWPHC-JSGCOSHPSA-N 2 1 276.380 2.235 10 0 CEAEMP C[N@@H+](C1Cc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746499 174391684 /nfs/dbraw/zinc/39/16/84/174391684.db2.gz UAMWIHLUKOYTFU-FKEKPDDDSA-N 2 1 256.393 2.369 10 0 CEAEMP CCC[N@@H+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747569 174392596 /nfs/dbraw/zinc/39/25/96/174392596.db2.gz HAQCJLCOBYMBCL-NNQSOWQGSA-N 2 1 252.402 2.160 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCOC1 ZINC000040769285 174399558 /nfs/dbraw/zinc/39/95/58/174399558.db2.gz NUCCBBFFHNBIIP-LSVZVQIISA-N 2 1 266.429 2.121 10 0 CEAEMP CC[N@@H+](CCCOc1ccc(C[NH3+])cc1)[C@@H](C)COC ZINC000042739987 174862037 /nfs/dbraw/zinc/86/20/37/174862037.db2.gz ZWRDXSLQRBTXIN-AWEZNQCLSA-N 2 1 280.412 2.271 10 0 CEAEMP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000043248507 174993499 /nfs/dbraw/zinc/99/34/99/174993499.db2.gz RRLOHEMPBHESOV-JSGCOSHPSA-N 2 1 279.453 2.225 10 0 CEAEMP C[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000043818160 175112902 /nfs/dbraw/zinc/11/29/02/175112902.db2.gz CRRRPZJBOMSRQT-KRWDZBQOSA-N 2 1 275.440 2.201 10 0 CEAEMP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000043969147 175130855 /nfs/dbraw/zinc/13/08/55/175130855.db2.gz GMZMDBANCFNHJQ-QWHCGFSZSA-N 2 1 280.412 2.442 10 0 CEAEMP CC[NH2+][C@@H]1CC[N@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107836 175307869 /nfs/dbraw/zinc/30/78/69/175307869.db2.gz XMNSSNIERFHRAM-LSDHHAIUSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+][C@@H]1CC[N@@H+](CCOCCC(C)C)C[C@@H]1C ZINC000045107836 175307870 /nfs/dbraw/zinc/30/78/70/175307870.db2.gz XMNSSNIERFHRAM-LSDHHAIUSA-N 2 1 256.434 2.369 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000045172729 175322018 /nfs/dbraw/zinc/32/20/18/175322018.db2.gz PYMBWAJMJHEGDQ-RISCZKNCSA-N 2 1 264.417 2.029 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000045172729 175322019 /nfs/dbraw/zinc/32/20/19/175322019.db2.gz PYMBWAJMJHEGDQ-RISCZKNCSA-N 2 1 264.417 2.029 10 0 CEAEMP CC[NH2+][C@](C)(CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281156 175351523 /nfs/dbraw/zinc/35/15/23/175351523.db2.gz DYTVMWBIKATOFB-ZBCRRDGASA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281156 175351525 /nfs/dbraw/zinc/35/15/25/175351525.db2.gz DYTVMWBIKATOFB-ZBCRRDGASA-N 2 1 283.460 2.131 10 0 CEAEMP CCCC[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045368210 175363351 /nfs/dbraw/zinc/36/33/51/175363351.db2.gz KIPOLCKXNXCIMP-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045368210 175363352 /nfs/dbraw/zinc/36/33/52/175363352.db2.gz KIPOLCKXNXCIMP-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CC(C)[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379169 175368448 /nfs/dbraw/zinc/36/84/48/175368448.db2.gz XOMWARGQGMYNPD-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379686 175368973 /nfs/dbraw/zinc/36/89/73/175368973.db2.gz YKBCBSLJEXCSPX-YDHLFZDLSA-N 2 1 270.417 2.310 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH3+])C(=O)OC)CC(C)C ZINC000045381661 175370047 /nfs/dbraw/zinc/37/00/47/175370047.db2.gz WDUOHMQVLWIDGM-AWEZNQCLSA-N 2 1 258.406 2.025 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CC)C(=O)OC ZINC000045382723 175370938 /nfs/dbraw/zinc/37/09/38/175370938.db2.gz MCRUBWQKMDOZLR-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CC)C(=O)OC ZINC000045382723 175370939 /nfs/dbraw/zinc/37/09/39/175370939.db2.gz MCRUBWQKMDOZLR-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045385875 175372329 /nfs/dbraw/zinc/37/23/29/175372329.db2.gz ZHZHOYCRYDGBOX-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386591 175372802 /nfs/dbraw/zinc/37/28/02/175372802.db2.gz WICMHVFVMJLXNX-OAHLLOKOSA-N 2 1 270.417 2.181 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386591 175372803 /nfs/dbraw/zinc/37/28/03/175372803.db2.gz WICMHVFVMJLXNX-OAHLLOKOSA-N 2 1 270.417 2.181 10 0 CEAEMP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045388141 175374003 /nfs/dbraw/zinc/37/40/03/175374003.db2.gz UGVMSMPLFODEMH-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045388141 175374005 /nfs/dbraw/zinc/37/40/05/175374005.db2.gz UGVMSMPLFODEMH-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC(CC)[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045391658 175374991 /nfs/dbraw/zinc/37/49/91/175374991.db2.gz KQOMSMNWSJNQTB-HNNXBMFYSA-N 2 1 271.449 2.129 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C(C)C ZINC000045391943 175375755 /nfs/dbraw/zinc/37/57/55/175375755.db2.gz XZDKRRJRXGMDEG-ZFWWWQNUSA-N 2 1 272.433 2.414 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000071147102 176043099 /nfs/dbraw/zinc/04/30/99/176043099.db2.gz NGKHZUKWJULMQM-GFCCVEGCSA-N 2 1 268.401 2.459 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000071147102 176043100 /nfs/dbraw/zinc/04/31/00/176043100.db2.gz NGKHZUKWJULMQM-GFCCVEGCSA-N 2 1 268.401 2.459 10 0 CEAEMP CCC[C@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188901 176064033 /nfs/dbraw/zinc/06/40/33/176064033.db2.gz OEKZEAXZMKUDGY-YLFCFFPRSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191397 176069219 /nfs/dbraw/zinc/06/92/19/176069219.db2.gz JBMZUBNTWXKQOX-PMPSAXMXSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191489 176069928 /nfs/dbraw/zinc/06/99/28/176069928.db2.gz KOUZRZFAEURWEM-GDBMZVCRSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH2+]Cc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071192034 176072054 /nfs/dbraw/zinc/07/20/54/176072054.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 2 1 279.428 2.081 10 0 CEAEMP C[C@@H](CC[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192028 176072513 /nfs/dbraw/zinc/07/25/13/176072513.db2.gz YCVHHDDVCPRMCQ-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]([NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1cccs1 ZINC000071192224 176074053 /nfs/dbraw/zinc/07/40/53/176074053.db2.gz ZSZPDMYTFIOWCC-UONOGXRCSA-N 2 1 281.469 2.282 10 0 CEAEMP Cc1ccc(C[NH2+]CCN(C)C[C@H]2CC[N@@H+](C)C2)s1 ZINC000071192439 176074795 /nfs/dbraw/zinc/07/47/95/176074795.db2.gz OTIAPGZQSXUPQP-AWEZNQCLSA-N 2 1 281.469 2.030 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@@H+](C)CCC[NH+](C)C ZINC000071290144 176110478 /nfs/dbraw/zinc/11/04/78/176110478.db2.gz JOGKUQNTYJMUPE-UHFFFAOYSA-N 3 1 257.466 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+](C)CCCN(C)C ZINC000071290144 176110479 /nfs/dbraw/zinc/11/04/79/176110479.db2.gz JOGKUQNTYJMUPE-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@@H+](C)CCCN(C)C ZINC000071290144 176110480 /nfs/dbraw/zinc/11/04/80/176110480.db2.gz JOGKUQNTYJMUPE-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCCC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000071290079 176110605 /nfs/dbraw/zinc/11/06/05/176110605.db2.gz ZZAUWHNFXNMUAC-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000071293982 176111523 /nfs/dbraw/zinc/11/15/23/176111523.db2.gz NCDRBTYIVOWBBO-OAHLLOKOSA-N 2 1 284.444 2.430 10 0 CEAEMP C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@H](CC[NH3+])O1 ZINC000071589154 176217431 /nfs/dbraw/zinc/21/74/31/176217431.db2.gz BKXKMJIRZNGDCZ-HOCLYGCPSA-N 2 1 262.397 2.057 10 0 CEAEMP CC(C)[C@H](CC[NH3+])CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000079281036 177462861 /nfs/dbraw/zinc/46/28/61/177462861.db2.gz HYBOQZSCHDSRHM-GJZGRUSLSA-N 2 1 256.434 2.498 10 0 CEAEMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398396632 270357745 /nfs/dbraw/zinc/35/77/45/270357745.db2.gz LRQHXPHZSRLRTC-SNVBAGLBSA-N 2 1 299.212 2.157 10 0 CEAEMP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400707348 295182387 /nfs/dbraw/zinc/18/23/87/295182387.db2.gz LHYITHGBGGIEJL-AGIUHOORSA-N 2 1 278.396 2.352 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068621123 519736473 /nfs/dbraw/zinc/73/64/73/519736473.db2.gz BEZQFBIAGLICKZ-BBRMVZONSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068621123 519736475 /nfs/dbraw/zinc/73/64/75/519736475.db2.gz BEZQFBIAGLICKZ-BBRMVZONSA-N 2 1 283.460 2.272 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)COC ZINC000054601722 519907834 /nfs/dbraw/zinc/90/78/34/519907834.db2.gz GXLXDBRXHLXEPJ-AVOUXACISA-N 2 1 254.418 2.406 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC000061148373 519908338 /nfs/dbraw/zinc/90/83/38/519908338.db2.gz SUDVLARKNLWXNP-AVOUXACISA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccoc2C)O1 ZINC000052346603 519977691 /nfs/dbraw/zinc/97/76/91/519977691.db2.gz OVUFMGIVEWNQGY-CABCVRRESA-N 2 1 266.385 2.177 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078752 520061481 /nfs/dbraw/zinc/06/14/81/520061481.db2.gz DAVIPVWYIVPUTN-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C(C)(C)CC)C(=O)OC ZINC000069443287 520130609 /nfs/dbraw/zinc/13/06/09/520130609.db2.gz FOPLDPHURYUFKN-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C(C)(C)CC)C(=O)OC ZINC000069443287 520130616 /nfs/dbraw/zinc/13/06/16/520130616.db2.gz FOPLDPHURYUFKN-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](CC)CC(CC)CC)C(N)=O ZINC000068633480 520143672 /nfs/dbraw/zinc/14/36/72/520143672.db2.gz NSGBPZWBYNIURZ-BBRMVZONSA-N 2 1 285.476 2.377 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CC)CC(CC)CC)C(N)=O ZINC000068633480 520143682 /nfs/dbraw/zinc/14/36/82/520143682.db2.gz NSGBPZWBYNIURZ-BBRMVZONSA-N 2 1 285.476 2.377 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@H+](C)Cc1cccc(Cl)c1 ZINC000062739651 520517552 /nfs/dbraw/zinc/51/75/52/520517552.db2.gz HIRQANSUCYEBHM-CYBMUJFWSA-N 2 1 256.777 2.136 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000062739651 520517557 /nfs/dbraw/zinc/51/75/57/520517557.db2.gz HIRQANSUCYEBHM-CYBMUJFWSA-N 2 1 256.777 2.136 10 0 CEAEMP CC[N@@H+](CCCOc1ccccc1)C[C@@H](C)C[NH3+] ZINC000061815651 521039703 /nfs/dbraw/zinc/03/97/03/521039703.db2.gz LUNFIOKIFKSZAB-AWEZNQCLSA-N 2 1 250.386 2.372 10 0 CEAEMP CC[C@@H](C[NH2+]C(C)(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515235 522544620 /nfs/dbraw/zinc/54/46/20/522544620.db2.gz MCBCJWORNOOYSZ-HNNXBMFYSA-N 3 1 269.477 2.427 10 0 CEAEMP C[C@H](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354572 533943851 /nfs/dbraw/zinc/94/38/51/533943851.db2.gz AAJGSVPPXXTIAJ-SOLBZPMBSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354572 533943856 /nfs/dbraw/zinc/94/38/56/533943856.db2.gz AAJGSVPPXXTIAJ-SOLBZPMBSA-N 3 1 289.467 2.485 10 0 CEAEMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354572 533943861 /nfs/dbraw/zinc/94/38/61/533943861.db2.gz AAJGSVPPXXTIAJ-SOLBZPMBSA-N 3 1 289.467 2.485 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763424 519719853 /nfs/dbraw/zinc/71/98/53/519719853.db2.gz DPTRAKUBEYEVNK-MRXNPFEDSA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648679 519740192 /nfs/dbraw/zinc/74/01/92/519740192.db2.gz JNWOPJWWLMBUKX-IUODEOHRSA-N 2 1 280.416 2.200 10 0 CEAEMP CC(C)C[NH2+]CCCCN1CCC([NH+](C)C)CC1 ZINC000052477527 519743437 /nfs/dbraw/zinc/74/34/37/519743437.db2.gz IKQXHYPGYYDEQO-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[C@H](C)[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052478534 519811849 /nfs/dbraw/zinc/81/18/49/519811849.db2.gz IBJDINYOXPOVOG-ZDUSSCGKSA-N 2 1 281.448 2.143 10 0 CEAEMP CCC[NH+]1CCN([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052421973 519859599 /nfs/dbraw/zinc/85/95/99/519859599.db2.gz OUUKVGFJZZNDJG-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH+]1CCN([C@@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052421982 519859609 /nfs/dbraw/zinc/85/96/09/519859609.db2.gz DNJHJPDBELMOBV-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC1CC[NH+]([C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000068638339 519859740 /nfs/dbraw/zinc/85/97/40/519859740.db2.gz STOVSMDHMIDAEV-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCCC[C@H]2CCO)CCOCC1 ZINC000052181054 519909589 /nfs/dbraw/zinc/90/95/89/519909589.db2.gz PNNKIJULOZTVEI-INIZCTEOSA-N 2 1 298.471 2.020 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181736 519913016 /nfs/dbraw/zinc/91/30/16/519913016.db2.gz ASHWMJFTRGBNLC-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479261 519937268 /nfs/dbraw/zinc/93/72/68/519937268.db2.gz LEFSDNUQMBMQDH-CFVMTHIKSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)[C@H](C)COC)on1 ZINC000052504846 519944929 /nfs/dbraw/zinc/94/49/29/519944929.db2.gz RMNPNZYWCIWABE-GFCCVEGCSA-N 2 1 269.389 2.031 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](CCOC)[C@H](C)COC)o1 ZINC000052572331 519946864 /nfs/dbraw/zinc/94/68/64/519946864.db2.gz DJMRWFNYUNLEFF-CQSZACIVSA-N 2 1 298.427 2.263 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420852 519979926 /nfs/dbraw/zinc/97/99/26/519979926.db2.gz NUOZOWKPEFXAQE-BARDWOONSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069288295 519987413 /nfs/dbraw/zinc/98/74/13/519987413.db2.gz IREFTHCVDMTSSN-KBPBESRZSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000052453451 520018170 /nfs/dbraw/zinc/01/81/70/520018170.db2.gz DUMMEFNODALVJH-GFCCVEGCSA-N 2 1 254.399 2.326 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCOC[C@@H]2CC)cc1 ZINC000052481600 519995556 /nfs/dbraw/zinc/99/55/56/519995556.db2.gz SECKXGMHWGJRSF-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000052476660 519996840 /nfs/dbraw/zinc/99/68/40/519996840.db2.gz NYJHDJNLOCJHFI-UONOGXRCSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453159 520010777 /nfs/dbraw/zinc/01/07/77/520010777.db2.gz VQYPFVWPRRDUOV-GFCCVEGCSA-N 2 1 254.399 2.326 10 0 CEAEMP CCCO[C@@H]1CCC[N@@H+](Cc2occc2C[NH3+])C1 ZINC000052371565 520275705 /nfs/dbraw/zinc/27/57/05/520275705.db2.gz NTWDWDVZYHLOCB-CYBMUJFWSA-N 2 1 252.358 2.129 10 0 CEAEMP CCCC[NH+](CCCC)CC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062444433 520493968 /nfs/dbraw/zinc/49/39/68/520493968.db2.gz ZMVOVXYGDJDYPL-AWEZNQCLSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239485 521042503 /nfs/dbraw/zinc/04/25/03/521042503.db2.gz OHKBHSQWDLXYCQ-INIZCTEOSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)CC1CC1 ZINC000069239485 521042510 /nfs/dbraw/zinc/04/25/10/521042510.db2.gz OHKBHSQWDLXYCQ-INIZCTEOSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052510960 521269116 /nfs/dbraw/zinc/26/91/16/521269116.db2.gz HZPRAVHGNABOGM-DZGCQCFKSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@H+](Cc1cc(C[NH3+])c(C)o1)Cc1ccncc1 ZINC000052514959 521288657 /nfs/dbraw/zinc/28/86/57/521288657.db2.gz VPKBHEALSLCPLW-UHFFFAOYSA-N 2 1 259.353 2.464 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH3+])c(C)o1)Cc1ccncc1 ZINC000052514959 521288669 /nfs/dbraw/zinc/28/86/69/521288669.db2.gz VPKBHEALSLCPLW-UHFFFAOYSA-N 2 1 259.353 2.464 10 0 CEAEMP CC[N@@H+](Cc1ccc(C[NH2+]C)cc1)[C@H](C)COC ZINC000052504991 521307260 /nfs/dbraw/zinc/30/72/60/521307260.db2.gz ILNLJGBRAJJHLR-CYBMUJFWSA-N 2 1 250.386 2.263 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](C)C(C)(C)CC ZINC000069443240 521323606 /nfs/dbraw/zinc/32/36/06/521323606.db2.gz QKKDKRDJQOUKLI-CQSZACIVSA-N 2 1 258.406 2.168 10 0 CEAEMP CCC[N@@H+](CCCC[NH2+]CC(C)C)CCN(C)C ZINC000052544114 521651682 /nfs/dbraw/zinc/65/16/82/521651682.db2.gz IPRRRYWXMIRQMU-UHFFFAOYSA-N 2 1 257.466 2.286 10 0 CEAEMP CCC1(C)CC[NH+]([C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000068645266 521678113 /nfs/dbraw/zinc/67/81/13/521678113.db2.gz LPJGSSNGDKEBLU-DYVFJYSZSA-N 2 1 295.471 2.273 10 0 CEAEMP CCN1CC[NH+](C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559453 521685939 /nfs/dbraw/zinc/68/59/39/521685939.db2.gz ZDLHGGDFHWONHB-PMPSAXMXSA-N 2 1 267.461 2.024 10 0 CEAEMP CN(C)C[C@H]1CCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000061642580 521872307 /nfs/dbraw/zinc/87/23/07/521872307.db2.gz MGUZIWXBJFSQNA-CVEARBPZSA-N 2 1 261.413 2.103 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000061642580 521872316 /nfs/dbraw/zinc/87/23/16/521872316.db2.gz MGUZIWXBJFSQNA-CVEARBPZSA-N 2 1 261.413 2.103 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346218 522057897 /nfs/dbraw/zinc/05/78/97/522057897.db2.gz YILZUWGIVYZMAW-LSDHHAIUSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]C[C@H](OCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000052673726 522075700 /nfs/dbraw/zinc/07/57/00/522075700.db2.gz QZDZXFNMBNIVLH-CVEARBPZSA-N 2 1 262.397 2.448 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)CCc2ccncc2)c1 ZINC000052483069 522126791 /nfs/dbraw/zinc/12/67/91/522126791.db2.gz LLIWDHPMBNMOLK-UHFFFAOYSA-N 2 1 269.392 2.476 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540371 522137634 /nfs/dbraw/zinc/13/76/34/522137634.db2.gz LAODJGXGBWVUFF-HOTGVXAUSA-N 2 1 260.381 2.159 10 0 CEAEMP CCc1[nH+]ccn1-c1ccc(C[NH2+]CCOC)cc1 ZINC000062738831 522578377 /nfs/dbraw/zinc/57/83/77/522578377.db2.gz CVWDHBJZWGGAAT-UHFFFAOYSA-N 2 1 259.353 2.171 10 0 CEAEMP C[N@H+](Cc1ccccc1F)CC1(C[NH3+])CCOCC1 ZINC000052183397 523369479 /nfs/dbraw/zinc/36/94/79/523369479.db2.gz YFBZXSBIBAZZEW-UHFFFAOYSA-N 2 1 266.360 2.013 10 0 CEAEMP C[N@@H+](Cc1ccccc1F)CC1(C[NH3+])CCOCC1 ZINC000052183397 523369487 /nfs/dbraw/zinc/36/94/87/523369487.db2.gz YFBZXSBIBAZZEW-UHFFFAOYSA-N 2 1 266.360 2.013 10 0 CEAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052479532 523417981 /nfs/dbraw/zinc/41/79/81/523417981.db2.gz QFFBDMLCVYFDKU-HOTGVXAUSA-N 2 1 291.439 2.449 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C[NH2+]C ZINC000052571227 523507592 /nfs/dbraw/zinc/50/75/92/523507592.db2.gz USGDTZAJWIPCRS-XJKSGUPXSA-N 2 1 262.397 2.405 10 0 CEAEMP Cn1cc(C[N@H+](C)Cc2oc3ccccc3c2C[NH3+])cn1 ZINC000052570376 523514901 /nfs/dbraw/zinc/51/49/01/523514901.db2.gz ZACJCLHDAMXHKI-UHFFFAOYSA-N 2 1 284.363 2.257 10 0 CEAEMP Cn1cc(C[N@@H+](C)Cc2oc3ccccc3c2C[NH3+])cn1 ZINC000052570376 523514910 /nfs/dbraw/zinc/51/49/10/523514910.db2.gz ZACJCLHDAMXHKI-UHFFFAOYSA-N 2 1 284.363 2.257 10 0 CEAEMP Cn1cc(C[N@H+](C)Cc2c3ccccc3oc2C[NH3+])cn1 ZINC000052570343 523517293 /nfs/dbraw/zinc/51/72/93/523517293.db2.gz MEKYIMYJNPOXCW-UHFFFAOYSA-N 2 1 284.363 2.257 10 0 CEAEMP Cn1cc(C[N@@H+](C)Cc2c3ccccc3oc2C[NH3+])cn1 ZINC000052570343 523517302 /nfs/dbraw/zinc/51/73/02/523517302.db2.gz MEKYIMYJNPOXCW-UHFFFAOYSA-N 2 1 284.363 2.257 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CCCCn1ccnc1 ZINC000052206219 523798665 /nfs/dbraw/zinc/79/86/65/523798665.db2.gz BDNWFNDCFCLSMX-HNNXBMFYSA-N 2 1 264.417 2.127 10 0 CEAEMP C[N@H+]1CCC[C@H]1CCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052673656 523847575 /nfs/dbraw/zinc/84/75/75/523847575.db2.gz YNEIFEXPSWIIRX-JYJNAYRXSA-N 2 1 298.471 2.423 10 0 CEAEMP COc1ccc(C[N@@H+](CCC(N)=[NH2+])CC(C)C)cc1 ZINC000068817402 524012585 /nfs/dbraw/zinc/01/25/85/524012585.db2.gz FOYSXTRJCZMDRF-UHFFFAOYSA-N 2 1 263.385 2.479 10 0 CEAEMP C[C@@H](CCC[NH3+])O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702318 524456191 /nfs/dbraw/zinc/45/61/91/524456191.db2.gz VFBMAOARNFMFBO-GOEBONIOSA-N 2 1 262.397 2.405 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757282 525005393 /nfs/dbraw/zinc/00/53/93/525005393.db2.gz UZJRXKSJVHIYIG-BMFZPTHFSA-N 2 1 262.397 2.312 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757282 525005400 /nfs/dbraw/zinc/00/54/00/525005400.db2.gz UZJRXKSJVHIYIG-BMFZPTHFSA-N 2 1 262.397 2.312 10 0 CEAEMP Cc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)sc1[C@@H](C)[NH3+] ZINC000054896317 526952394 /nfs/dbraw/zinc/95/23/94/526952394.db2.gz JVLBYUQEYFTRMV-KOLCDFICSA-N 2 1 268.430 2.002 10 0 CEAEMP [NH3+]Cc1coc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000052418218 527264647 /nfs/dbraw/zinc/26/46/47/527264647.db2.gz DUDLWBKMUSKHHA-UHFFFAOYSA-N 2 1 289.354 2.200 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757146211 574510412 /nfs/dbraw/zinc/51/04/12/574510412.db2.gz RGVOEHIUHASSRE-NWDGAFQWSA-N 2 1 252.402 2.412 10 0 CEAEMP Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1Br ZINC000685965572 574823723 /nfs/dbraw/zinc/82/37/23/574823723.db2.gz JWYXLPAMSBTHSV-JQWIXIFHSA-N 2 1 269.186 2.162 10 0 CEAEMP C[C@H]1CCC[C@@](C[NH2+]C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000094088114 628755952 /nfs/dbraw/zinc/75/59/52/628755952.db2.gz QFLDVRIBIRKTGT-SLTXQBBLSA-N 3 1 267.461 2.356 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178980973 629879564 /nfs/dbraw/zinc/87/95/64/629879564.db2.gz ODHGWSFALCJYRB-HNNXBMFYSA-N 2 1 276.428 2.173 10 0 CEAEMP C[N@@H+](Cc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000231454383 639855303 /nfs/dbraw/zinc/85/53/03/639855303.db2.gz CTTXWFBSVXRRNA-HNNXBMFYSA-N 2 1 260.381 2.195 10 0 CEAEMP CC/C=C(\C)C[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067879525 641351406 /nfs/dbraw/zinc/35/14/06/641351406.db2.gz UERRTPYFPMBVNY-SXSSENBOSA-N 2 1 293.455 2.052 10 0 CEAEMP Cc1[nH+]ccn1-c1cc(Br)ccc1CC[NH3+] ZINC000082612048 178125899 /nfs/dbraw/zinc/12/58/99/178125899.db2.gz GXVPDTARQMNOKL-UHFFFAOYSA-N 2 1 280.169 2.444 10 0 CEAEMP [NH3+]C1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000096949575 185139222 /nfs/dbraw/zinc/13/92/22/185139222.db2.gz HJRDZKWHPGINMA-UHFFFAOYSA-N 2 1 260.381 2.159 10 0 CEAEMP Nc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000306242175 344712604 /nfs/dbraw/zinc/71/26/04/344712604.db2.gz VUITXXYCYIOJNA-UHFFFAOYSA-N 2 1 282.391 2.376 10 0 CEAEMP C[C@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000306571331 344714620 /nfs/dbraw/zinc/71/46/20/344714620.db2.gz FXJGVDUICZTVFH-UIBIWLFHSA-N 2 1 287.451 2.332 10 0 CEAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000328631956 344757264 /nfs/dbraw/zinc/75/72/64/344757264.db2.gz LAMBRAYMYNYIRA-OWQGQXMQSA-N 2 1 297.402 2.036 10 0 CEAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000328631956 344757266 /nfs/dbraw/zinc/75/72/66/344757266.db2.gz LAMBRAYMYNYIRA-OWQGQXMQSA-N 2 1 297.402 2.036 10 0 CEAEMP CN(C)C(=O)CCC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403643 179052876 /nfs/dbraw/zinc/05/28/76/179052876.db2.gz BVTUZXWWIJJBMA-MRXNPFEDSA-N 2 1 295.471 2.099 10 0 CEAEMP CC(C)c1nc2c(n1C[C@@H]1CC[N@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572509 179097362 /nfs/dbraw/zinc/09/73/62/179097362.db2.gz JDHQRUBPJSVIGW-CQSZACIVSA-N 2 1 290.455 2.383 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1Cc1cccnc1 ZINC000085623951 179106883 /nfs/dbraw/zinc/10/68/83/179106883.db2.gz IFZUEWFNKWXDSI-BBRMVZONSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1Cc1cccnc1 ZINC000085623951 179106885 /nfs/dbraw/zinc/10/68/85/179106885.db2.gz IFZUEWFNKWXDSI-BBRMVZONSA-N 2 1 259.397 2.434 10 0 CEAEMP C[N@@H+](CCn1c2c(nc1C1CCCC1)C[NH2+]CC2)C1CC1 ZINC000085606894 179100197 /nfs/dbraw/zinc/10/01/97/179100197.db2.gz YEAOEMHAESLFOX-UHFFFAOYSA-N 2 1 288.439 2.281 10 0 CEAEMP C[N@H+]1CC[C@@H](Cn2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606456 179100544 /nfs/dbraw/zinc/10/05/44/179100544.db2.gz BVCRIZYKUAUOQB-CYBMUJFWSA-N 2 1 288.439 2.138 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C12CCCC2 ZINC000085679935 179113054 /nfs/dbraw/zinc/11/30/54/179113054.db2.gz IHHQJRGRZPFNTB-SOUVJXGZSA-N 2 1 266.429 2.266 10 0 CEAEMP CCC[NH2+][C@H](CCO)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085921832 179200141 /nfs/dbraw/zinc/20/01/41/179200141.db2.gz QLVRECYGURTQMV-ARFHVFGLSA-N 2 1 268.445 2.249 10 0 CEAEMP CCC[NH2+][C@H](CCO)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085921832 179200144 /nfs/dbraw/zinc/20/01/44/179200144.db2.gz QLVRECYGURTQMV-ARFHVFGLSA-N 2 1 268.445 2.249 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086143110 179237793 /nfs/dbraw/zinc/23/77/93/179237793.db2.gz VWIWCSKGSHEYCK-IRXDYDNUSA-N 2 1 279.472 2.325 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086173855 179244165 /nfs/dbraw/zinc/24/41/65/179244165.db2.gz JKPYZRJOSJDJCD-ZACQAIPSSA-N 2 1 279.472 2.178 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCCC[NH+](C)C)[C@@H](C(C)C)CN1 ZINC000086174306 179245449 /nfs/dbraw/zinc/24/54/49/179245449.db2.gz DPQPCMXAVPXLMA-HZPDHXFCSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)[C@H]1CN(CCCC[NH+](C)C)[C@@H](C(C)C)C[NH2+]1 ZINC000086174306 179245450 /nfs/dbraw/zinc/24/54/50/179245450.db2.gz DPQPCMXAVPXLMA-HZPDHXFCSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224018 179253268 /nfs/dbraw/zinc/25/32/68/179253268.db2.gz NCMSQXIGUBOKSS-CVEARBPZSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223926 179253446 /nfs/dbraw/zinc/25/34/46/179253446.db2.gz RKFLLCXJWZUYFO-IXDOHACOSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225421 179253735 /nfs/dbraw/zinc/25/37/35/179253735.db2.gz GZKWTPSKMUPNGJ-JKSUJKDBSA-N 2 1 279.472 2.467 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259324 179258105 /nfs/dbraw/zinc/25/81/05/179258105.db2.gz QRDHGLOZGBZUOS-GVDBMIGSSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259117 179258138 /nfs/dbraw/zinc/25/81/38/179258138.db2.gz DQKNOGUFTROAKU-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259117 179258139 /nfs/dbraw/zinc/25/81/39/179258139.db2.gz DQKNOGUFTROAKU-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261109 179259920 /nfs/dbraw/zinc/25/99/20/179259920.db2.gz TYZPWGJPWVFLNG-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261109 179259922 /nfs/dbraw/zinc/25/99/22/179259922.db2.gz TYZPWGJPWVFLNG-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1C[N@@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261098 179260529 /nfs/dbraw/zinc/26/05/29/179260529.db2.gz OWUYBXWUKYNHCL-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1CN(CCCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086261098 179260531 /nfs/dbraw/zinc/26/05/31/179260531.db2.gz OWUYBXWUKYNHCL-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259078 179256635 /nfs/dbraw/zinc/25/66/35/179256635.db2.gz NQPQAPLILGUWNL-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1CN(CC2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086259078 179256637 /nfs/dbraw/zinc/25/66/37/179256637.db2.gz NQPQAPLILGUWNL-HOTGVXAUSA-N 2 1 267.461 2.037 10 0 CEAEMP CCC1(CC)CN([C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000086291997 179266178 /nfs/dbraw/zinc/26/61/78/179266178.db2.gz NJAGXNRLSRDYGO-OAHLLOKOSA-N 2 1 265.445 2.077 10 0 CEAEMP CN(c1nc2c(s1)CCC[C@@H]2[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000086443081 179294128 /nfs/dbraw/zinc/29/41/28/179294128.db2.gz MGNXOFGGVUWPHE-QWRGUYRKSA-N 2 1 280.441 2.010 10 0 CEAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)[C@@H]1Cc2ccccc21 ZINC000086488853 179301790 /nfs/dbraw/zinc/30/17/90/179301790.db2.gz NLRXLFQZRVKHAM-CABCVRRESA-N 2 1 253.349 2.134 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848653 179357299 /nfs/dbraw/zinc/35/72/99/179357299.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848653 179357300 /nfs/dbraw/zinc/35/73/00/179357300.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848653 179357303 /nfs/dbraw/zinc/35/73/03/179357303.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848653 179357305 /nfs/dbraw/zinc/35/73/05/179357305.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848653 179357308 /nfs/dbraw/zinc/35/73/08/179357308.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086839888 179351372 /nfs/dbraw/zinc/35/13/72/179351372.db2.gz VWEXLMDQYPIPNS-LSDHHAIUSA-N 2 1 283.460 2.096 10 0 CEAEMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086839888 179351375 /nfs/dbraw/zinc/35/13/75/179351375.db2.gz VWEXLMDQYPIPNS-LSDHHAIUSA-N 2 1 283.460 2.096 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841925 179353151 /nfs/dbraw/zinc/35/31/51/179353151.db2.gz APJOEPRZMJZABE-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)ccn1 ZINC000086844666 179355155 /nfs/dbraw/zinc/35/51/55/179355155.db2.gz XOIDQTVVXQAXNV-OAHLLOKOSA-N 2 1 277.412 2.443 10 0 CEAEMP COc1cc(C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)ccn1 ZINC000086844666 179355157 /nfs/dbraw/zinc/35/51/57/179355157.db2.gz XOIDQTVVXQAXNV-OAHLLOKOSA-N 2 1 277.412 2.443 10 0 CEAEMP CC[N@H+]1CCC[C@H](NCC[NH+](C)C2CCCC2)CC1 ZINC000086844946 179355398 /nfs/dbraw/zinc/35/53/98/179355398.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@H](NCC[N@H+](C)C2CCCC2)CC1 ZINC000086844946 179355401 /nfs/dbraw/zinc/35/54/01/179355401.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@H](NCC[N@@H+](C)C2CCCC2)CC1 ZINC000086844946 179355403 /nfs/dbraw/zinc/35/54/03/179355403.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CCCN(C1CC1)[C@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846793 179355468 /nfs/dbraw/zinc/35/54/68/179355468.db2.gz WJRSFUQDXWQYMC-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850880 179358377 /nfs/dbraw/zinc/35/83/77/179358377.db2.gz IWSINFQXJANTQP-LSDHHAIUSA-N 2 1 253.434 2.064 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891124 179366205 /nfs/dbraw/zinc/36/62/05/179366205.db2.gz XBSFBMMHAXGZMK-HZPDHXFCSA-N 2 1 286.460 2.269 10 0 CEAEMP CC[C@@H]1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917013 179368195 /nfs/dbraw/zinc/36/81/95/179368195.db2.gz GIPZLFBYJCEEBD-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(=O)Nc1ccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616629306 348540526 /nfs/dbraw/zinc/54/05/26/348540526.db2.gz VEKQCPHOFINOLR-CQSZACIVSA-N 2 1 275.396 2.173 10 0 CEAEMP CC(=O)Nc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616629306 348540530 /nfs/dbraw/zinc/54/05/30/348540530.db2.gz VEKQCPHOFINOLR-CQSZACIVSA-N 2 1 275.396 2.173 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355393 233176437 /nfs/dbraw/zinc/17/64/37/233176437.db2.gz OGJSLGPHCNVXEP-CIRFHOKZSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355393 233176439 /nfs/dbraw/zinc/17/64/39/233176439.db2.gz OGJSLGPHCNVXEP-CIRFHOKZSA-N 2 1 287.451 2.237 10 0 CEAEMP CCc1nn(C)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1Cl ZINC000089322905 179769361 /nfs/dbraw/zinc/76/93/61/179769361.db2.gz IKCJMDPJWWVWJO-JTQLQIEISA-N 2 1 284.835 2.195 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1cccs1 ZINC000090566145 180005218 /nfs/dbraw/zinc/00/52/18/180005218.db2.gz KFRXVKXNLAMYJR-OCCSQVGLSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1cccs1 ZINC000090566145 180005221 /nfs/dbraw/zinc/00/52/21/180005221.db2.gz KFRXVKXNLAMYJR-OCCSQVGLSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566758 180006941 /nfs/dbraw/zinc/00/69/41/180006941.db2.gz HKPBYOZLGRWYEP-OKZBNKHCSA-N 2 1 288.435 2.491 10 0 CEAEMP FC(F)(F)COCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693919 180026054 /nfs/dbraw/zinc/02/60/54/180026054.db2.gz IHABLOLOGDLERA-VXGBXAGGSA-N 2 1 280.334 2.029 10 0 CEAEMP FC(F)(F)COCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693919 180026057 /nfs/dbraw/zinc/02/60/57/180026057.db2.gz IHABLOLOGDLERA-VXGBXAGGSA-N 2 1 280.334 2.029 10 0 CEAEMP CC[N@@H+](C[C@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876223 180051176 /nfs/dbraw/zinc/05/11/76/180051176.db2.gz DKXCHTDHKXWTAE-OAHLLOKOSA-N 2 1 260.381 2.064 10 0 CEAEMP Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892240 180053626 /nfs/dbraw/zinc/05/36/26/180053626.db2.gz KCSIYWBTHYBXOO-LRDDRELGSA-N 2 1 290.382 2.203 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907873 180062076 /nfs/dbraw/zinc/06/20/76/180062076.db2.gz IICZYMRCJIYUJV-IYBDPMFKSA-N 2 1 260.381 2.159 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907873 180062078 /nfs/dbraw/zinc/06/20/78/180062078.db2.gz IICZYMRCJIYUJV-IYBDPMFKSA-N 2 1 260.381 2.159 10 0 CEAEMP Cc1[nH+]ccn1CCn1cc(C[NH3+])c2ccccc21 ZINC000090995007 180082679 /nfs/dbraw/zinc/08/26/79/180082679.db2.gz NOZAFMBMORYOPH-UHFFFAOYSA-N 2 1 254.337 2.305 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2cccc2CC[NH3+])c1C ZINC000091004898 180084027 /nfs/dbraw/zinc/08/40/27/180084027.db2.gz LZLBZYIWRSVJKB-UHFFFAOYSA-N 2 1 259.353 2.058 10 0 CEAEMP C[C@@H]1CCC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019720 180087644 /nfs/dbraw/zinc/08/76/44/180087644.db2.gz SFOJJYRPMYJOGE-YPMHNXCESA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@@H]1CCC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019720 180087646 /nfs/dbraw/zinc/08/76/46/180087646.db2.gz SFOJJYRPMYJOGE-YPMHNXCESA-N 2 1 258.369 2.265 10 0 CEAEMP CCCn1c[nH+]cc1Cn1cc(C[NH3+])c2cccnc21 ZINC000091019236 180087666 /nfs/dbraw/zinc/08/76/66/180087666.db2.gz WBZGWFFMHPVAOY-UHFFFAOYSA-N 2 1 269.352 2.150 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000091433232 180154613 /nfs/dbraw/zinc/15/46/13/180154613.db2.gz PKNVGUWFZIPWAE-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]CCCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091433232 180154616 /nfs/dbraw/zinc/15/46/16/180154616.db2.gz PKNVGUWFZIPWAE-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP C[NH2+][C@@H](CC[N@@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091489215 180168223 /nfs/dbraw/zinc/16/82/23/180168223.db2.gz FCTGVBJUGLCUPM-BCLQGDPASA-N 2 1 262.397 2.040 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091499463 180174046 /nfs/dbraw/zinc/17/40/46/180174046.db2.gz HYNOZFBERFDQPV-KNIAUWFNSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091499462 180174138 /nfs/dbraw/zinc/17/41/38/180174138.db2.gz HYNOZFBERFDQPV-GYTBAZASSA-N 2 1 268.445 2.248 10 0 CEAEMP C[NH2+][C@H](Cc1ccncc1)C(C)(C)[NH+]1CCCCC1 ZINC000091564976 180193485 /nfs/dbraw/zinc/19/34/85/180193485.db2.gz OBSDTEVTXFRBSR-OAHLLOKOSA-N 2 1 261.413 2.477 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCCCC1 ZINC000091568308 180194899 /nfs/dbraw/zinc/19/48/99/180194899.db2.gz QTBLCNMDSMQBAQ-MRXNPFEDSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cnn(C)c1)[C@](C)(CC)[NH+](C)C ZINC000091571830 180196405 /nfs/dbraw/zinc/19/64/05/180196405.db2.gz RYQNXLZBRPELCL-GJZGRUSLSA-N 2 1 266.433 2.061 10 0 CEAEMP CCC(CC)([C@H]([NH3+])Cc1cccnc1N)[NH+]1CCCC1 ZINC000091634816 180211556 /nfs/dbraw/zinc/21/15/56/180211556.db2.gz GQVRCLSASYQTBP-CQSZACIVSA-N 2 1 276.428 2.188 10 0 CEAEMP CCc1ccc([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720703 180235755 /nfs/dbraw/zinc/23/57/55/180235755.db2.gz LWCCYUUYAGMGQU-OAGGEKHMSA-N 2 1 260.381 2.112 10 0 CEAEMP [NH3+][C@H](Cc1ccc(Cl)s1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720496 180236768 /nfs/dbraw/zinc/23/67/68/180236768.db2.gz UNERCHWNKACLOX-YUSALJHKSA-N 2 1 286.828 2.135 10 0 CEAEMP [NH3+][C@H](Cc1ccc(Cl)s1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720496 180236771 /nfs/dbraw/zinc/23/67/71/180236771.db2.gz UNERCHWNKACLOX-YUSALJHKSA-N 2 1 286.828 2.135 10 0 CEAEMP C[NH2+][C@H](CCc1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721467 180238952 /nfs/dbraw/zinc/23/89/52/180238952.db2.gz YVOIXEWYALPBLX-BRWVUGGUSA-N 2 1 274.408 2.070 10 0 CEAEMP C[NH2+][C@H](CCc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721467 180238953 /nfs/dbraw/zinc/23/89/53/180238953.db2.gz YVOIXEWYALPBLX-BRWVUGGUSA-N 2 1 274.408 2.070 10 0 CEAEMP CC[N@@H+](Cc1nccn1C(F)F)C1CCC([NH3+])CC1 ZINC000091850649 180272384 /nfs/dbraw/zinc/27/23/84/180272384.db2.gz MOYPCIZCQWUIOQ-UHFFFAOYSA-N 2 1 272.343 2.370 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCOC(F)(F)F)CC1 ZINC000091870411 180276872 /nfs/dbraw/zinc/27/68/72/180276872.db2.gz HRIJRLXOHKTINH-UHFFFAOYSA-N 2 1 268.323 2.375 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000091870007 180277060 /nfs/dbraw/zinc/27/70/60/180277060.db2.gz PMUHJECRLMVJGT-HTAVTVPLSA-N 2 1 282.350 2.152 10 0 CEAEMP CCCN1CCC([N@@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871241 180277071 /nfs/dbraw/zinc/27/70/71/180277071.db2.gz YWXBJBQCMOEMEG-UHFFFAOYSA-N 2 1 267.461 2.323 10 0 CEAEMP CCC[NH+]1CCC([N@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871241 180277073 /nfs/dbraw/zinc/27/70/73/180277073.db2.gz YWXBJBQCMOEMEG-UHFFFAOYSA-N 3 1 267.461 2.323 10 0 CEAEMP CCC[NH+]1CCC([N@@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871241 180277074 /nfs/dbraw/zinc/27/70/74/180277074.db2.gz YWXBJBQCMOEMEG-UHFFFAOYSA-N 3 1 267.461 2.323 10 0 CEAEMP CCCNC(=O)[C@H](C)[N@@H+](C)C1CCC([NH2+]CCC)CC1 ZINC000091870161 180277132 /nfs/dbraw/zinc/27/71/32/180277132.db2.gz QUEQLLPADVXQOG-NFOMZHRRSA-N 2 1 283.460 2.144 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091870558 180277273 /nfs/dbraw/zinc/27/72/73/180277273.db2.gz LCNJJBAJHLJORS-VQCLRJIVSA-N 2 1 289.423 2.476 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(OC)n2)CC1 ZINC000091870515 180277472 /nfs/dbraw/zinc/27/74/72/180277472.db2.gz ZREWYMUEWIJICO-UHFFFAOYSA-N 2 1 263.385 2.053 10 0 CEAEMP CCCCNC(=O)[C@@H](C)[N@@H+](C)C1CCC([NH2+]CC)CC1 ZINC000091870348 180277582 /nfs/dbraw/zinc/27/75/82/180277582.db2.gz BKUWPWHMRPWAOJ-WLYUNCDWSA-N 2 1 283.460 2.144 10 0 CEAEMP CCC[N@H+]1CCC[C@@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922612 180286641 /nfs/dbraw/zinc/28/66/41/180286641.db2.gz LZTSMFSLQXVEDC-HNNXBMFYSA-N 2 1 254.418 2.133 10 0 CEAEMP CCN1CCO[C@@H](C[N@@H+](CCC[NH3+])C2CCCCCC2)C1 ZINC000092051429 180312551 /nfs/dbraw/zinc/31/25/51/180312551.db2.gz VVAVUZDDKVDERN-QGZVFWFLSA-N 2 1 297.487 2.081 10 0 CEAEMP CC[C@@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000092051168 180313007 /nfs/dbraw/zinc/31/30/07/180313007.db2.gz YVJHKSJFJCBEIL-DLBZAZTESA-N 2 1 292.423 2.457 10 0 CEAEMP CC[C@@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092051168 180313009 /nfs/dbraw/zinc/31/30/09/180313009.db2.gz YVJHKSJFJCBEIL-DLBZAZTESA-N 2 1 292.423 2.457 10 0 CEAEMP CC[C@H]([NH3+])Cc1ccc(OC[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000092060619 180314914 /nfs/dbraw/zinc/31/49/14/180314914.db2.gz KLDMKASWMCFKLX-DOTOQJQBSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@H]([NH3+])Cc1ccc(OC[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092060619 180314916 /nfs/dbraw/zinc/31/49/16/180314916.db2.gz KLDMKASWMCFKLX-DOTOQJQBSA-N 2 1 292.423 2.066 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090278 180322056 /nfs/dbraw/zinc/32/20/56/180322056.db2.gz YHRDUXSZFAWONK-OWCLPIDISA-N 2 1 270.461 2.495 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000092329168 180364063 /nfs/dbraw/zinc/36/40/63/180364063.db2.gz HSUJNHRUUBKXNO-GWCFXTLKSA-N 2 1 251.374 2.111 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000092329168 180364064 /nfs/dbraw/zinc/36/40/64/180364064.db2.gz HSUJNHRUUBKXNO-GWCFXTLKSA-N 2 1 251.374 2.111 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCC[NH2+]1 ZINC000092365801 180368933 /nfs/dbraw/zinc/36/89/33/180368933.db2.gz GIGGCBJQJMDXIP-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCC[NH2+]1 ZINC000092365801 180368935 /nfs/dbraw/zinc/36/89/35/180368935.db2.gz GIGGCBJQJMDXIP-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1COc2ccccc21 ZINC000092308067 180360973 /nfs/dbraw/zinc/36/09/73/180360973.db2.gz HSLMCSZFOYREGP-HNNXBMFYSA-N 2 1 274.408 2.484 10 0 CEAEMP CC(C)[C@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000092402532 180378036 /nfs/dbraw/zinc/37/80/36/180378036.db2.gz XILXXOAOKYIWKW-QWHCGFSZSA-N 2 1 269.458 2.434 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2)CC[N@H+]1C ZINC000107906987 186197492 /nfs/dbraw/zinc/19/74/92/186197492.db2.gz YXYRBVBYUXMPCO-HOTGVXAUSA-N 2 1 261.413 2.021 10 0 CEAEMP CC[NH2+][C@@H](CN(C)C[C@@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000092627503 180419041 /nfs/dbraw/zinc/41/90/41/180419041.db2.gz ZQNRKCZLMWAAFD-GJZGRUSLSA-N 2 1 269.477 2.427 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000109684952 186268433 /nfs/dbraw/zinc/26/84/33/186268433.db2.gz JUMXJQFSMLBQFC-GBJTYRQASA-N 2 1 282.428 2.168 10 0 CEAEMP C[NH2+][C@H](C)c1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000110694732 186313283 /nfs/dbraw/zinc/31/32/83/186313283.db2.gz REIMOMPTGMBSJK-QWHCGFSZSA-N 2 1 290.411 2.135 10 0 CEAEMP C[NH2+][C@H](C)c1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000110694732 186313285 /nfs/dbraw/zinc/31/32/85/186313285.db2.gz REIMOMPTGMBSJK-QWHCGFSZSA-N 2 1 290.411 2.135 10 0 CEAEMP COc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705126 186314312 /nfs/dbraw/zinc/31/43/12/186314312.db2.gz XMHHMZWUWBYCGN-CZUORRHYSA-N 2 1 291.439 2.110 10 0 CEAEMP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704643 186314762 /nfs/dbraw/zinc/31/47/62/186314762.db2.gz GQMPDXLOUSKUNO-GDBMZVCRSA-N 2 1 275.440 2.409 10 0 CEAEMP C[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@H+]1C ZINC000110712595 186315331 /nfs/dbraw/zinc/31/53/31/186315331.db2.gz LEBOANQTADBOGJ-XKQJLSEDSA-N 2 1 273.424 2.027 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716905 186315921 /nfs/dbraw/zinc/31/59/21/186315921.db2.gz WWRUKEHXXASRDA-KKUMJFAQSA-N 2 1 267.461 2.179 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716473 186316140 /nfs/dbraw/zinc/31/61/40/186316140.db2.gz HNAMYZZSSGMDLC-HNNXBMFYSA-N 2 1 261.413 2.021 10 0 CEAEMP CCC[C@](C)(C[NH2+]CC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747095 186320012 /nfs/dbraw/zinc/32/00/12/186320012.db2.gz WTSXKSNZPHOMMM-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP COc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111156242 186363216 /nfs/dbraw/zinc/36/32/16/186363216.db2.gz MBRFBOXSRHTNRD-GUYCJALGSA-N 2 1 292.423 2.442 10 0 CEAEMP COc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111156242 186363218 /nfs/dbraw/zinc/36/32/18/186363218.db2.gz MBRFBOXSRHTNRD-GUYCJALGSA-N 2 1 292.423 2.442 10 0 CEAEMP CCOCC[N@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000111124069 186354342 /nfs/dbraw/zinc/35/43/42/186354342.db2.gz WHMGMIDRWUSURS-UHFFFAOYSA-N 2 1 269.389 2.031 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000111124069 186354343 /nfs/dbraw/zinc/35/43/43/186354343.db2.gz WHMGMIDRWUSURS-UHFFFAOYSA-N 2 1 269.389 2.031 10 0 CEAEMP C[NH+](C)CCC[N@H+](C)Cc1ccc(N)c2cccnc12 ZINC000111130625 186356032 /nfs/dbraw/zinc/35/60/32/186356032.db2.gz URKGXPQUQDODJJ-UHFFFAOYSA-N 2 1 272.396 2.201 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(N)c2cccnc12 ZINC000111130625 186356034 /nfs/dbraw/zinc/35/60/34/186356034.db2.gz URKGXPQUQDODJJ-UHFFFAOYSA-N 2 1 272.396 2.201 10 0 CEAEMP Cc1ccc([C@H](O)[C@@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143915 186359158 /nfs/dbraw/zinc/35/91/58/186359158.db2.gz ZULADHGJVIQDLU-GDBMZVCRSA-N 2 1 264.413 2.300 10 0 CEAEMP Cc1ccc([C@H](O)[C@@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143915 186359160 /nfs/dbraw/zinc/35/91/60/186359160.db2.gz ZULADHGJVIQDLU-GDBMZVCRSA-N 2 1 264.413 2.300 10 0 CEAEMP CCC[NH2+]CC(C)(C)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000111171906 186365580 /nfs/dbraw/zinc/36/55/80/186365580.db2.gz ZBXWUUAOXJRVST-CQSZACIVSA-N 2 1 256.434 2.371 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630369554 351714039 /nfs/dbraw/zinc/71/40/39/351714039.db2.gz WJHCKBUZBGMYIT-DZGCQCFKSA-N 2 1 254.418 2.251 10 0 CEAEMP CC[C@](C)(O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000123484826 187094878 /nfs/dbraw/zinc/09/48/78/187094878.db2.gz CJUJRIUELWLBNX-ZBFHGGJFSA-N 2 1 277.412 2.285 10 0 CEAEMP CC[C@](C)(O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000123484826 187094879 /nfs/dbraw/zinc/09/48/79/187094879.db2.gz CJUJRIUELWLBNX-ZBFHGGJFSA-N 2 1 277.412 2.285 10 0 CEAEMP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094446947 539879193 /nfs/dbraw/zinc/87/91/93/539879193.db2.gz RYSGPXQFYHSXDE-HRCADAONSA-N 2 1 295.471 2.083 10 0 CEAEMP C[C@H](NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000578518509 366506289 /nfs/dbraw/zinc/50/62/89/366506289.db2.gz MRTBWFMFGPDRAO-MELADBBJSA-N 2 1 281.469 2.329 10 0 CEAEMP Cc1cc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])ccc1Br ZINC000685965601 540664586 /nfs/dbraw/zinc/66/45/86/540664586.db2.gz KZPMLTXXKQDYTO-JQWIXIFHSA-N 2 1 269.186 2.162 10 0 CEAEMP C[C@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631837692 367577380 /nfs/dbraw/zinc/57/73/80/367577380.db2.gz WFIHSTUJTNAMJS-NWDGAFQWSA-N 2 1 268.401 2.444 10 0 CEAEMP Cc1cnc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)o1 ZINC000173779066 367943860 /nfs/dbraw/zinc/94/38/60/367943860.db2.gz DZWDSZNJTWDTFO-CYBMUJFWSA-N 2 1 272.352 2.312 10 0 CEAEMP CCOCC[N@H+]1CCN(c2cc[nH+]cc2C)C[C@H]1CC ZINC000191980676 369760300 /nfs/dbraw/zinc/76/03/00/369760300.db2.gz NQYBMFGINWCXFO-OAHLLOKOSA-N 2 1 277.412 2.327 10 0 CEAEMP CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231454175 370479501 /nfs/dbraw/zinc/47/95/01/370479501.db2.gz IGNRHFBKXLBRHZ-INIZCTEOSA-N 2 1 275.396 2.219 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@H]12 ZINC000261755633 371722056 /nfs/dbraw/zinc/72/20/56/371722056.db2.gz CNBOOZTVMOUECM-SDDRHHMPSA-N 2 1 263.410 2.190 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]12 ZINC000261857974 371753400 /nfs/dbraw/zinc/75/34/00/371753400.db2.gz XOOCAYBPABTXKP-KCPJHIHWSA-N 2 1 292.810 2.444 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]12 ZINC000261857974 371753403 /nfs/dbraw/zinc/75/34/03/371753403.db2.gz XOOCAYBPABTXKP-KCPJHIHWSA-N 2 1 292.810 2.444 10 0 CEAEMP C[C@@H]1C[C@H]1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262029400 371803199 /nfs/dbraw/zinc/80/31/99/371803199.db2.gz XAFVLDDHMUZTSN-QLFBSQMISA-N 2 1 288.439 2.020 10 0 CEAEMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262274970 371845411 /nfs/dbraw/zinc/84/54/11/371845411.db2.gz SZDWUOMKZLPEHB-AWEZNQCLSA-N 2 1 290.411 2.126 10 0 CEAEMP C[C@@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000377111045 374793243 /nfs/dbraw/zinc/79/32/43/374793243.db2.gz GLYMCFHUNBOISW-ZPGBFPTHSA-N 2 1 266.429 2.405 10 0 CEAEMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000380177753 375159693 /nfs/dbraw/zinc/15/96/93/375159693.db2.gz ODQYIZCGMBJVNX-LEWSCRJBSA-N 2 1 250.411 2.480 10 0 CEAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CC2CCC1CC2 ZINC000399011470 375354283 /nfs/dbraw/zinc/35/42/83/375354283.db2.gz BIKDPAYSRHGZBS-ARAOSMHQSA-N 2 1 280.456 2.248 10 0 CEAEMP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399153037 375359293 /nfs/dbraw/zinc/35/92/93/375359293.db2.gz CAGPUFSYQCOOAR-UONOGXRCSA-N 2 1 254.418 2.002 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1C ZINC000311821735 376688506 /nfs/dbraw/zinc/68/85/06/376688506.db2.gz NITIYLCIKWRCLU-NEPJUHHUSA-N 2 1 266.433 2.368 10 0 CEAEMP CCCc1[nH+]ccn1[C@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093784004 184720869 /nfs/dbraw/zinc/72/08/69/184720869.db2.gz MCWLZSDGMRSDHU-HOCLYGCPSA-N 2 1 277.412 2.434 10 0 CEAEMP C[NH2+][C@H](CN1CC[N@H+]2CCCC[C@@H]2C1)c1cccc(C)c1 ZINC000094439110 184799536 /nfs/dbraw/zinc/79/95/36/184799536.db2.gz LTAQXCNMKRPQRS-QZTJIDSGSA-N 2 1 287.451 2.426 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CN2CC[N@H+]3CCCC[C@@H]3C2)cc1C ZINC000094439184 184799561 /nfs/dbraw/zinc/79/95/61/184799561.db2.gz DDJHVAKSUNDSRI-QZTJIDSGSA-N 2 1 287.451 2.473 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000086817589 135048263 /nfs/dbraw/zinc/04/82/63/135048263.db2.gz YSVIIPHZROGNQM-HNNXBMFYSA-N 2 1 288.439 2.124 10 0 CEAEMP CCc1cc(N2CCC([C@H](C)[NH2+]C)CC2)nc(C)[nH+]1 ZINC000088759721 135056909 /nfs/dbraw/zinc/05/69/09/135056909.db2.gz SJUWEQHOWKHEAD-NSHDSACASA-N 2 1 262.401 2.172 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(C[NH3+])n1 ZINC000094443305 135088763 /nfs/dbraw/zinc/08/87/63/135088763.db2.gz UIKZPBWBADYWDB-NWDGAFQWSA-N 2 1 294.830 2.257 10 0 CEAEMP Cc1cc(CC[NH3+])ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094444542 135088841 /nfs/dbraw/zinc/08/88/41/135088841.db2.gz GWNWPWJXXAGOGT-MRXNPFEDSA-N 2 1 273.424 2.171 10 0 CEAEMP COC[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173780160 395115727 /nfs/dbraw/zinc/11/57/27/395115727.db2.gz ZHBULTBXOIHZPV-UONOGXRCSA-N 2 1 263.385 2.159 10 0 CEAEMP COC[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173780160 395115730 /nfs/dbraw/zinc/11/57/30/395115730.db2.gz ZHBULTBXOIHZPV-UONOGXRCSA-N 2 1 263.385 2.159 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000193062898 153227235 /nfs/dbraw/zinc/22/72/35/153227235.db2.gz HZAQUTQAPXFUQX-JKSUJKDBSA-N 2 1 293.411 2.199 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000193062898 153227237 /nfs/dbraw/zinc/22/72/37/153227237.db2.gz HZAQUTQAPXFUQX-JKSUJKDBSA-N 2 1 293.411 2.199 10 0 CEAEMP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178976947 165268507 /nfs/dbraw/zinc/26/85/07/165268507.db2.gz UPWUWRHFEGNYCQ-RNODOKPDSA-N 2 1 294.464 2.416 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022221317 171378096 /nfs/dbraw/zinc/37/80/96/171378096.db2.gz IGTOSVCDNFRIRF-OKILXGFUSA-N 2 1 289.423 2.452 10 0 CEAEMP CC[NH+]1CCC([NH2+][C@H](C)C2CC[NH+](CC)CC2)CC1 ZINC000038098056 174112916 /nfs/dbraw/zinc/11/29/16/174112916.db2.gz UZFIBLABQQBBHY-CQSZACIVSA-N 3 1 267.461 2.181 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)C[C@H]12 ZINC000312675132 414864746 /nfs/dbraw/zinc/86/47/46/414864746.db2.gz JRDDHWROQHMFOG-LUYZLQTOSA-N 2 1 272.392 2.222 10 0 CEAEMP COCC[N@@H+](CC1CCC([NH3+])CC1)[C@H](C)C1CC1 ZINC000042689457 174837381 /nfs/dbraw/zinc/83/73/81/174837381.db2.gz CCGJENIJQJXECK-DNOWBOINSA-N 2 1 254.418 2.251 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](N1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000043378326 175030363 /nfs/dbraw/zinc/03/03/63/175030363.db2.gz LDJMGDXAMDFNEF-WDEREUQCSA-N 2 1 281.366 2.071 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043914912 175124512 /nfs/dbraw/zinc/12/45/12/175124512.db2.gz UTTXYVNSXDODAI-CABCVRRESA-N 2 1 284.444 2.238 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043914912 175124513 /nfs/dbraw/zinc/12/45/13/175124513.db2.gz UTTXYVNSXDODAI-CABCVRRESA-N 2 1 284.444 2.238 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](CCC)CC1CC1 ZINC000043967501 175128500 /nfs/dbraw/zinc/12/85/00/175128500.db2.gz MAMUOBUECJCCQP-HUUCEWRRSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](CCC)CC1CC1 ZINC000043967501 175128501 /nfs/dbraw/zinc/12/85/01/175128501.db2.gz MAMUOBUECJCCQP-HUUCEWRRSA-N 2 1 254.418 2.266 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000045172733 175321936 /nfs/dbraw/zinc/32/19/36/175321936.db2.gz PYMBWAJMJHEGDQ-BXUZGUMPSA-N 2 1 264.417 2.029 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000045172733 175321937 /nfs/dbraw/zinc/32/19/37/175321937.db2.gz PYMBWAJMJHEGDQ-BXUZGUMPSA-N 2 1 264.417 2.029 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383194 175371328 /nfs/dbraw/zinc/37/13/28/175371328.db2.gz FHWLJJRZRCTPIP-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383194 175371329 /nfs/dbraw/zinc/37/13/29/175371329.db2.gz FHWLJJRZRCTPIP-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384330 175371440 /nfs/dbraw/zinc/37/14/40/175371440.db2.gz PZTUUXDREUTGJY-GOEBONIOSA-N 2 1 283.460 2.275 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391599 175374890 /nfs/dbraw/zinc/37/48/90/175374890.db2.gz WGWDJUSBWSHFDG-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391599 175374892 /nfs/dbraw/zinc/37/48/92/175374892.db2.gz WGWDJUSBWSHFDG-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@H](Cc1ccccc1OC)Cc1c[nH+]ccc1N ZINC000070400897 175910553 /nfs/dbraw/zinc/91/05/53/175910553.db2.gz WIWAJAYKBYMORG-HNNXBMFYSA-N 2 1 285.391 2.436 10 0 CEAEMP CCOC(=O)C1CC[NH+](C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000070941099 176014840 /nfs/dbraw/zinc/01/48/40/176014840.db2.gz WNRYJSQGFZSRIU-MRXNPFEDSA-N 2 1 290.407 2.004 10 0 CEAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2OCCc3ccccc32)C1 ZINC000071092243 176031988 /nfs/dbraw/zinc/03/19/88/176031988.db2.gz PFTCAPOVQWPUOX-PBHICJAKSA-N 2 1 274.408 2.361 10 0 CEAEMP CC[N@H+](C[C@@H]1OCCc2ccccc21)C1CC[NH2+]CC1 ZINC000071092165 176032304 /nfs/dbraw/zinc/03/23/04/176032304.db2.gz WYFNTZYWWBUIOY-KRWDZBQOSA-N 2 1 274.408 2.374 10 0 CEAEMP CC[N@@H+](C[C@@H]1OCCc2ccccc21)C1CC[NH2+]CC1 ZINC000071092165 176032307 /nfs/dbraw/zinc/03/23/07/176032307.db2.gz WYFNTZYWWBUIOY-KRWDZBQOSA-N 2 1 274.408 2.374 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](CCOC)C1CC1 ZINC000071161893 176046457 /nfs/dbraw/zinc/04/64/57/176046457.db2.gz WCSGAWSWYLCRJB-ZFWWWQNUSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](CCOC)C1CC1 ZINC000071161893 176046458 /nfs/dbraw/zinc/04/64/58/176046458.db2.gz WCSGAWSWYLCRJB-ZFWWWQNUSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187858 176062214 /nfs/dbraw/zinc/06/22/14/176062214.db2.gz LAOXRNIQUHAMMB-COXVUDFISA-N 2 1 293.430 2.488 10 0 CEAEMP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188220 176063021 /nfs/dbraw/zinc/06/30/21/176063021.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 2 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188220 176063022 /nfs/dbraw/zinc/06/30/22/176063022.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188220 176063024 /nfs/dbraw/zinc/06/30/24/176063024.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188220 176063025 /nfs/dbraw/zinc/06/30/25/176063025.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188220 176063027 /nfs/dbraw/zinc/06/30/27/176063027.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 3 1 281.488 2.414 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2Cc3ccc(F)cc3C2=[NH2+])C1 ZINC000071268832 176102055 /nfs/dbraw/zinc/10/20/55/176102055.db2.gz XIUPHXHITQFICK-NSHDSACASA-N 2 1 261.344 2.308 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000071290049 176110338 /nfs/dbraw/zinc/11/03/38/176110338.db2.gz MKLPOWOYPUKEJD-UHFFFAOYSA-N 3 1 269.477 2.430 10 0 CEAEMP CCOC(=O)CCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000071293466 176111788 /nfs/dbraw/zinc/11/17/88/176111788.db2.gz OULFUQWJPCLWJZ-UHFFFAOYSA-N 2 1 284.444 2.384 10 0 CEAEMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071314814 176120983 /nfs/dbraw/zinc/12/09/83/176120983.db2.gz FYXGRBLLEUGRFW-QZTJIDSGSA-N 2 1 287.451 2.335 10 0 CEAEMP CC[C@@H]1CN(CCn2cc[nH+]c2C)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071344284 176130753 /nfs/dbraw/zinc/13/07/53/176130753.db2.gz TYAUNAHFLSNKOT-CABCVRRESA-N 2 1 278.444 2.290 10 0 CEAEMP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000079626050 177528926 /nfs/dbraw/zinc/52/89/26/177528926.db2.gz LYUZYEAEAUCYKW-OAGGEKHMSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@H]1CCCN(c2cc[nH+]cc2Br)[C@H]1C[NH3+] ZINC000252835397 299853347 /nfs/dbraw/zinc/85/33/47/299853347.db2.gz UQRGNOCUEZNRJZ-CABZTGNLSA-N 2 1 284.201 2.408 10 0 CEAEMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519240 260104416 /nfs/dbraw/zinc/10/44/16/260104416.db2.gz XMGASPKTPBLSAF-HZSPNIEDSA-N 2 1 299.459 2.362 10 0 CEAEMP Brc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)cs1 ZINC000397980229 280689137 /nfs/dbraw/zinc/68/91/37/280689137.db2.gz DZBXYRUDKJCAIW-MRVPVSSYSA-N 2 1 275.215 2.210 10 0 CEAEMP CC1CCC(C[N@@H+]2CCO[C@H](CN(C)C)C2)CC1 ZINC000156650082 289199941 /nfs/dbraw/zinc/19/99/41/289199941.db2.gz XZPXXDWXPYJYGA-YMAMQOFZSA-N 2 1 254.418 2.075 10 0 CEAEMP CC1CCC(C[N@H+]2CCO[C@H](CN(C)C)C2)CC1 ZINC000156650082 289199943 /nfs/dbraw/zinc/19/99/43/289199943.db2.gz XZPXXDWXPYJYGA-YMAMQOFZSA-N 2 1 254.418 2.075 10 0 CEAEMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000384304221 321851473 /nfs/dbraw/zinc/85/14/73/321851473.db2.gz ZYRHTKVAIXIKER-RWMBFGLXSA-N 2 1 280.441 2.247 10 0 CEAEMP CC(C)C[NH2+]CCCCN1CC[NH+](C(C)C)CC1 ZINC000052479970 519743372 /nfs/dbraw/zinc/74/33/72/519743372.db2.gz WAEGSLBLNRBMQY-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C)CC1 ZINC000054628032 519907420 /nfs/dbraw/zinc/90/74/20/519907420.db2.gz URJGDZXCBISLCI-VHRNVKJDSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCOCC1 ZINC000054628238 519907711 /nfs/dbraw/zinc/90/77/11/519907711.db2.gz ZVZJIMZBUCHXKT-LQDVMPOASA-N 2 1 252.402 2.160 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@H](C)CC)on1 ZINC000052547321 519987220 /nfs/dbraw/zinc/98/72/20/519987220.db2.gz YXJJFMVUJMURRA-GFCCVEGCSA-N 2 1 269.389 2.031 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516547 520105216 /nfs/dbraw/zinc/10/52/16/520105216.db2.gz UYEGAQYBDZRARZ-MRXNPFEDSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052181258 520937288 /nfs/dbraw/zinc/93/72/88/520937288.db2.gz IUTWFVICVITVGK-UHFFFAOYSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400724560 533902210 /nfs/dbraw/zinc/90/22/10/533902210.db2.gz PCZDTKFJDCDELI-SOUVJXGZSA-N 2 1 277.412 2.004 10 0 CEAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052593189 522585931 /nfs/dbraw/zinc/58/59/31/522585931.db2.gz SFPADKUFRBKTKD-STQMWFEESA-N 2 1 265.401 2.381 10 0 CEAEMP CC[NH2+][C@@]1(C(N)=O)CCC[C@H]([NH+](CC(C)C)CC(C)C)C1 ZINC000093751230 517668842 /nfs/dbraw/zinc/66/88/42/517668842.db2.gz ARSKSOWFDLCEHA-RDJZCZTQSA-N 2 1 297.487 2.377 10 0 CEAEMP CC(C)(C)CC[N@H+]1CCCN(CCCC[NH3+])CC1 ZINC000049254397 518645955 /nfs/dbraw/zinc/64/59/55/518645955.db2.gz UIKSZEJRHOIODP-UHFFFAOYSA-N 2 1 255.450 2.169 10 0 CEAEMP CC(C)(C)CCN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049254397 518645956 /nfs/dbraw/zinc/64/59/56/518645956.db2.gz UIKSZEJRHOIODP-UHFFFAOYSA-N 2 1 255.450 2.169 10 0 CEAEMP CC(C)(C)CCN1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000049254397 518645958 /nfs/dbraw/zinc/64/59/58/518645958.db2.gz UIKSZEJRHOIODP-UHFFFAOYSA-N 2 1 255.450 2.169 10 0 CEAEMP CC(C)(C)[NH2+]CCC[N@H+](CCO)Cc1ccccc1 ZINC000050515553 518755927 /nfs/dbraw/zinc/75/59/27/518755927.db2.gz XWISZRYOLGGFDK-UHFFFAOYSA-N 2 1 264.413 2.259 10 0 CEAEMP CC(C)(C)[NH2+]CCC[N@@H+](CCO)Cc1ccccc1 ZINC000050515553 518755929 /nfs/dbraw/zinc/75/59/29/518755929.db2.gz XWISZRYOLGGFDK-UHFFFAOYSA-N 2 1 264.413 2.259 10 0 CEAEMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564842 519669022 /nfs/dbraw/zinc/66/90/22/519669022.db2.gz QDRYOLKUXCPLNE-HUUCEWRRSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564842 519669023 /nfs/dbraw/zinc/66/90/23/519669023.db2.gz QDRYOLKUXCPLNE-HUUCEWRRSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)C[N@@H+](CCCC[NH2+]C1CC1)CCN(C)C ZINC000052503256 519715403 /nfs/dbraw/zinc/71/54/03/519715403.db2.gz JBOJFVZFYOPSNY-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccnc2)O1 ZINC000052479534 519745185 /nfs/dbraw/zinc/74/51/85/519745185.db2.gz PPRFEBRMZUDHPK-DLBZAZTESA-N 2 1 291.439 2.307 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478900 519746358 /nfs/dbraw/zinc/74/63/58/519746358.db2.gz RRELIIMOPYCMGK-SJORKVTESA-N 2 1 291.439 2.307 10 0 CEAEMP CCC[NH+]1CCC([NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049195269 519847526 /nfs/dbraw/zinc/84/75/26/519847526.db2.gz WTEPHXYEJKKDJW-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@@H](OCC)C2)CCOCC1 ZINC000052198129 519910051 /nfs/dbraw/zinc/91/00/51/519910051.db2.gz HZVRLXDVFFWSCI-MRXNPFEDSA-N 2 1 298.471 2.284 10 0 CEAEMP CCC[NH2+]CCCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055074530 519912184 /nfs/dbraw/zinc/91/21/84/519912184.db2.gz USBHYKUNSISRSQ-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702354 519920333 /nfs/dbraw/zinc/92/03/33/519920333.db2.gz MFEWZNSYUYUDAL-MRXNPFEDSA-N 2 1 262.397 2.277 10 0 CEAEMP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418926 519943206 /nfs/dbraw/zinc/94/32/06/519943206.db2.gz ONCOEBCHCRZCAZ-MRXNPFEDSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000052542235 519943650 /nfs/dbraw/zinc/94/36/50/519943650.db2.gz MCZLPYLNOBHXIN-CYBMUJFWSA-N 2 1 250.386 2.373 10 0 CEAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1OC ZINC000052542235 519943657 /nfs/dbraw/zinc/94/36/57/519943657.db2.gz MCZLPYLNOBHXIN-CYBMUJFWSA-N 2 1 250.386 2.373 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[NH+]2CCN(C3CC3)CC2)cc1 ZINC000052371381 519946963 /nfs/dbraw/zinc/94/69/63/519946963.db2.gz LXHIHQBFKSNOPY-UHFFFAOYSA-N 2 1 287.451 2.466 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCC(C)(C)C2)O1 ZINC000070260637 519956629 /nfs/dbraw/zinc/95/66/29/519956629.db2.gz WXBVCLUNUXFRED-UONOGXRCSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000052419900 519994554 /nfs/dbraw/zinc/99/45/54/519994554.db2.gz NBAPGOUYOLPKMT-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccc(CN(C)C2CC[NH+](C)CC2)cc1 ZINC000052419900 519994565 /nfs/dbraw/zinc/99/45/65/519994565.db2.gz NBAPGOUYOLPKMT-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503310 520010075 /nfs/dbraw/zinc/01/00/75/520010075.db2.gz KOQQIOKRBYGNFV-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503310 520010080 /nfs/dbraw/zinc/01/00/80/520010080.db2.gz KOQQIOKRBYGNFV-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)CC1CC1)OCCO2 ZINC000069237785 520019800 /nfs/dbraw/zinc/01/98/00/520019800.db2.gz YVTJMQCPJIDPEY-HZPDHXFCSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)CC1CC1)OCCO2 ZINC000069237785 520019806 /nfs/dbraw/zinc/01/98/06/520019806.db2.gz YVTJMQCPJIDPEY-HZPDHXFCSA-N 2 1 296.455 2.382 10 0 CEAEMP CC[NH2+]Cc1sc(N2CCC[N@@H+](C)CC2)nc1C1CC1 ZINC000069146550 520033253 /nfs/dbraw/zinc/03/32/53/520033253.db2.gz GELACOCYEJBKGI-UHFFFAOYSA-N 2 1 294.468 2.272 10 0 CEAEMP CC[NH2+][C@@H](C)CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000061268942 520063140 /nfs/dbraw/zinc/06/31/40/520063140.db2.gz YCAPGLVLSVNXOL-HNNXBMFYSA-N 2 1 291.439 2.013 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626718 520136618 /nfs/dbraw/zinc/13/66/18/520136618.db2.gz HKAJUGQWKPAIJW-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000068626718 520136622 /nfs/dbraw/zinc/13/66/22/520136622.db2.gz HKAJUGQWKPAIJW-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626724 520143060 /nfs/dbraw/zinc/14/30/60/520143060.db2.gz HKAJUGQWKPAIJW-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000068626724 520143064 /nfs/dbraw/zinc/14/30/64/520143064.db2.gz HKAJUGQWKPAIJW-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627063 520235344 /nfs/dbraw/zinc/23/53/44/520235344.db2.gz DVBZJHZILFWJEG-JYYAWHABSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627063 520235349 /nfs/dbraw/zinc/23/53/49/520235349.db2.gz DVBZJHZILFWJEG-JYYAWHABSA-N 2 1 295.471 2.131 10 0 CEAEMP CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068695577 520845011 /nfs/dbraw/zinc/84/50/11/520845011.db2.gz DWXRWQQJECNDJJ-CVEARBPZSA-N 2 1 278.444 2.290 10 0 CEAEMP CCC[C@@](C)(C[NH2+]CC(C)C)C[N@H+]1CC[C@H](O)C1 ZINC000061711747 520911840 /nfs/dbraw/zinc/91/18/40/520911840.db2.gz FJOOVCMPDJPLNJ-GJZGRUSLSA-N 2 1 256.434 2.105 10 0 CEAEMP CC[N@H+](Cc1ccccc1)Cc1ccc[nH+]c1NN ZINC000052724786 521371746 /nfs/dbraw/zinc/37/17/46/521371746.db2.gz JDEVGOUQFAZVKM-UHFFFAOYSA-N 2 1 256.353 2.389 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)Cc1ccc[nH+]c1NN ZINC000052724786 521371752 /nfs/dbraw/zinc/37/17/52/521371752.db2.gz JDEVGOUQFAZVKM-UHFFFAOYSA-N 2 1 256.353 2.389 10 0 CEAEMP CCN1CCC([N@@H+](C)Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052543982 521564771 /nfs/dbraw/zinc/56/47/71/521564771.db2.gz KELQJVUGRMDZTF-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC(N(C)Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052543982 521564775 /nfs/dbraw/zinc/56/47/75/521564775.db2.gz KELQJVUGRMDZTF-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052543982 521564780 /nfs/dbraw/zinc/56/47/80/521564780.db2.gz KELQJVUGRMDZTF-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052543982 521564786 /nfs/dbraw/zinc/56/47/86/521564786.db2.gz KELQJVUGRMDZTF-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP CCC[N@@H+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000051021682 521652339 /nfs/dbraw/zinc/65/23/39/521652339.db2.gz LVWIWLLGFONDCC-YIONKMFJSA-N 2 1 254.418 2.144 10 0 CEAEMP CCC[N@@H+](CCC[C@@H]1CCCC[NH2+]1)CCN(C)C ZINC000050954134 521654281 /nfs/dbraw/zinc/65/42/81/521654281.db2.gz QACICJVXMBUXAQ-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP C[NH2+]CCC[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417245 521996731 /nfs/dbraw/zinc/99/67/31/521996731.db2.gz FATLSQNFRRBMCZ-CYBMUJFWSA-N 2 1 292.423 2.450 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](CCN(C)C)CC(C)C)c(C)o1 ZINC000052503404 522107016 /nfs/dbraw/zinc/10/70/16/522107016.db2.gz UGAIXIKSWXNVMF-UHFFFAOYSA-N 2 1 281.444 2.327 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+](CCN(C)C)CC(C)C)c(C)o1 ZINC000052503404 522107008 /nfs/dbraw/zinc/10/70/08/522107008.db2.gz UGAIXIKSWXNVMF-UHFFFAOYSA-N 2 1 281.444 2.327 10 0 CEAEMP C[NH2+]Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000052417307 522115907 /nfs/dbraw/zinc/11/59/07/522115907.db2.gz PNEHFFWCZUAGLC-UHFFFAOYSA-N 2 1 285.391 2.321 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000052543510 522121967 /nfs/dbraw/zinc/12/19/67/522121967.db2.gz JNMWLMWYVKQCGY-AWEZNQCLSA-N 2 1 292.423 2.284 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CCCSCC2)cc1 ZINC000052371080 522122835 /nfs/dbraw/zinc/12/28/35/522122835.db2.gz PIGNDXUJDSPZDF-UHFFFAOYSA-N 2 1 280.437 2.224 10 0 CEAEMP C[NH2+]Cc1sc(N2CC[N@@H+](C)C(C)(C)C2)nc1C1CC1 ZINC000069182985 522167023 /nfs/dbraw/zinc/16/70/23/522167023.db2.gz RHDJSQQFRYFOHL-UHFFFAOYSA-N 2 1 294.468 2.270 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052511737 522220178 /nfs/dbraw/zinc/22/01/78/522220178.db2.gz CYLYETXIFZUJIK-LLVKDONJSA-N 2 1 262.353 2.358 10 0 CEAEMP CCc1[nH+]ccn1-c1cnc(C(C)C)nc1C[NH2+]C ZINC000051518111 522579589 /nfs/dbraw/zinc/57/95/89/522579589.db2.gz AKFZNGQTDKVQBU-UHFFFAOYSA-N 2 1 259.357 2.068 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052511537 522592634 /nfs/dbraw/zinc/59/26/34/522592634.db2.gz ZVDMQOFZPHYCMP-NSHDSACASA-N 2 1 262.353 2.358 10 0 CEAEMP CC[C@@H]([NH3+])c1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000054717191 522657419 /nfs/dbraw/zinc/65/74/19/522657419.db2.gz YKRCODTXNLARJF-CYBMUJFWSA-N 2 1 274.368 2.362 10 0 CEAEMP COCC[N@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555503 523642148 /nfs/dbraw/zinc/64/21/48/523642148.db2.gz MRZMUWKNBWEKSJ-VHDGCEQUSA-N 2 1 254.418 2.249 10 0 CEAEMP COCC[N@@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555503 523642150 /nfs/dbraw/zinc/64/21/50/523642150.db2.gz MRZMUWKNBWEKSJ-VHDGCEQUSA-N 2 1 254.418 2.249 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000052205682 523798874 /nfs/dbraw/zinc/79/88/74/523798874.db2.gz DDPUJIVFCIEVQG-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083444 523953373 /nfs/dbraw/zinc/95/33/73/523953373.db2.gz XOYRHOMWNZZQSV-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@H]1CCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180447 524121627 /nfs/dbraw/zinc/12/16/27/524121627.db2.gz BUFUFIPZELCGGK-ZDUSSCGKSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658202 524202830 /nfs/dbraw/zinc/20/28/30/524202830.db2.gz VNLXPQYMPGFEJD-AAEUAGOBSA-N 2 1 260.385 2.376 10 0 CEAEMP Cc1ccc(C[N@H+](C)CC2(C[NH3+])CCOCC2)cc1 ZINC000052181112 524391603 /nfs/dbraw/zinc/39/16/03/524391603.db2.gz WQOWHFHFTIRCPC-UHFFFAOYSA-N 2 1 262.397 2.182 10 0 CEAEMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)n1C ZINC000052790225 524752273 /nfs/dbraw/zinc/75/22/73/524752273.db2.gz NDSPJDHEJPJEHG-UHFFFAOYSA-N 2 1 261.413 2.358 10 0 CEAEMP Cc1csc2nc(C)c(C[NH2+][C@@H](C)CC[NH+](C)C)n12 ZINC000049554051 526452544 /nfs/dbraw/zinc/45/25/44/526452544.db2.gz BHSRANAOPYCERJ-JTQLQIEISA-N 2 1 280.441 2.442 10 0 CEAEMP [NH3+]CCCC[N@H+]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872127 527176134 /nfs/dbraw/zinc/17/61/34/527176134.db2.gz NDZAMQBMSWEOCQ-UHFFFAOYSA-N 2 1 297.393 2.211 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)ccn1 ZINC000068749633 527247483 /nfs/dbraw/zinc/24/74/83/527247483.db2.gz NQOBRBJCADZQNA-MRXNPFEDSA-N 2 1 268.364 2.272 10 0 CEAEMP NNc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000052718535 527274180 /nfs/dbraw/zinc/27/41/80/527274180.db2.gz PCJBLDJXNQUSPP-UONOGXRCSA-N 2 1 260.385 2.379 10 0 CEAEMP NNc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000052718692 527274622 /nfs/dbraw/zinc/27/46/22/527274622.db2.gz OQEXLVQJJIFYJD-OAHLLOKOSA-N 2 1 268.364 2.357 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH3+])CCCC[N@H+]1C1CC1 ZINC000070291669 527659587 /nfs/dbraw/zinc/65/95/87/527659587.db2.gz SKDSWAMZJHUDFI-CJNGLKHVSA-N 2 1 276.428 2.301 10 0 CEAEMP CCC1(CC)C[NH2+]C2(C[C@H]3CC[C@@H](C2)[N@H+]3C)OC1 ZINC000757153497 574511105 /nfs/dbraw/zinc/51/11/05/574511105.db2.gz WYDXQQFHPRMUFR-NNQSOWQGSA-N 2 1 252.402 2.366 10 0 CEAEMP CCC1(CC)C[NH2+]C2(C[C@H]3CC[C@@H](C2)[N@@H+]3C)OC1 ZINC000757153497 574511106 /nfs/dbraw/zinc/51/11/06/574511106.db2.gz WYDXQQFHPRMUFR-NNQSOWQGSA-N 2 1 252.402 2.366 10 0 CEAEMP Cc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000311831378 627702792 /nfs/dbraw/zinc/70/27/92/627702792.db2.gz PDHODLBDSJMHMH-KKUMJFAQSA-N 2 1 260.381 2.043 10 0 CEAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399245583 628787179 /nfs/dbraw/zinc/78/71/79/628787179.db2.gz JZUYOMDBPLFZGI-DJIMGWMZSA-N 2 1 282.472 2.494 10 0 CEAEMP [NH3+]CCCCCCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227379326 639588595 /nfs/dbraw/zinc/58/85/95/639588595.db2.gz JADCDKNBVZFJFI-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP [NH3+]CCCCCCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000227379326 639588599 /nfs/dbraw/zinc/58/85/99/639588599.db2.gz JADCDKNBVZFJFI-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP [NH3+]CCCCCCC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000227379326 639588602 /nfs/dbraw/zinc/58/86/02/639588602.db2.gz JADCDKNBVZFJFI-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP Brc1ccsc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000087575915 639680367 /nfs/dbraw/zinc/68/03/67/639680367.db2.gz JZLRSBSVQMSFKV-MRVPVSSYSA-N 2 1 275.215 2.210 10 0 CEAEMP C[NH2+][C@](C)(CO)CCC[N@@H+](CCC(C)C)C1CC1 ZINC000096836992 185116334 /nfs/dbraw/zinc/11/63/34/185116334.db2.gz SMFQIJLOZUUJQL-HNNXBMFYSA-N 2 1 256.434 2.248 10 0 CEAEMP CCC[NH2+][C@@H](CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096836947 185116740 /nfs/dbraw/zinc/11/67/40/185116740.db2.gz KFWCKAAVNHAXRD-CQSZACIVSA-N 2 1 256.434 2.248 10 0 CEAEMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000096947338 185136677 /nfs/dbraw/zinc/13/66/77/185136677.db2.gz PMVFAIGKUCMDTQ-DLBZAZTESA-N 2 1 267.376 2.398 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCC)CC1 ZINC000037825981 361951333 /nfs/dbraw/zinc/95/13/33/361951333.db2.gz FDWPXMMNIWSAIX-OAHLLOKOSA-N 2 1 283.460 2.084 10 0 CEAEMP C[C@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000306571308 344714690 /nfs/dbraw/zinc/71/46/90/344714690.db2.gz FXJGVDUICZTVFH-DFGXFYAUSA-N 2 1 287.451 2.332 10 0 CEAEMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085304279 179011487 /nfs/dbraw/zinc/01/14/87/179011487.db2.gz IKJCMQZWIZKTMS-FMKPAKJESA-N 2 1 262.397 2.096 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1Cc1ccncc1 ZINC000085623932 179106969 /nfs/dbraw/zinc/10/69/69/179106969.db2.gz KMSHHMCYDVKXNY-CJNGLKHVSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1Cc1ccncc1 ZINC000085623932 179106971 /nfs/dbraw/zinc/10/69/71/179106971.db2.gz KMSHHMCYDVKXNY-CJNGLKHVSA-N 2 1 259.397 2.434 10 0 CEAEMP C[N@H+]1CC[C@@H](n2c3c(nc2C2CCCCC2)C[NH2+]CC3)C1 ZINC000085607105 179100828 /nfs/dbraw/zinc/10/08/28/179100828.db2.gz HSCFADMQSGZVDA-CQSZACIVSA-N 2 1 288.439 2.453 10 0 CEAEMP COc1cccc(C[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000085616589 179103648 /nfs/dbraw/zinc/10/36/48/179103648.db2.gz ZLPFPASUBJSYKU-INIZCTEOSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1cccc(C[N@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000085616589 179103651 /nfs/dbraw/zinc/10/36/51/179103651.db2.gz ZLPFPASUBJSYKU-INIZCTEOSA-N 2 1 260.381 2.269 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052511519 522595578 /nfs/dbraw/zinc/59/55/78/522595578.db2.gz IYXJILUWEAQOHV-ZDUSSCGKSA-N 2 1 268.401 2.492 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086145806 179238543 /nfs/dbraw/zinc/23/85/43/179238543.db2.gz WNEADCUYTFEVGM-ZWKOTPCHSA-N 2 1 287.451 2.291 10 0 CEAEMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086144855 179237463 /nfs/dbraw/zinc/23/74/63/179237463.db2.gz BZAWAJMXVKCCFG-RCCFBDPRSA-N 2 1 291.483 2.467 10 0 CEAEMP CC(C)[C@@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086173853 179244037 /nfs/dbraw/zinc/24/40/37/179244037.db2.gz JKPYZRJOSJDJCD-IKGGRYGDSA-N 2 1 279.472 2.178 10 0 CEAEMP CC(C)[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086173727 179244383 /nfs/dbraw/zinc/24/43/83/179244383.db2.gz AFLHUGRBBIJFPQ-IKGGRYGDSA-N 2 1 281.488 2.283 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177611 179246182 /nfs/dbraw/zinc/24/61/82/179246182.db2.gz BTKJIWRUZLLTEP-FUHWJXTLSA-N 2 1 287.451 2.363 10 0 CEAEMP CCC1(CC)CN(C[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146560 179238856 /nfs/dbraw/zinc/23/88/56/179238856.db2.gz DEZNZKALGMGCNO-HNNXBMFYSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146522 179239082 /nfs/dbraw/zinc/23/90/82/179239082.db2.gz YLYXUBSZBDWAIV-OWCLPIDISA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)C[C@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146755 179239599 /nfs/dbraw/zinc/23/95/99/179239599.db2.gz KFERGGAORIGHHW-INIZCTEOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146755 179239600 /nfs/dbraw/zinc/23/96/00/179239600.db2.gz KFERGGAORIGHHW-INIZCTEOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146755 179239603 /nfs/dbraw/zinc/23/96/03/179239603.db2.gz KFERGGAORIGHHW-INIZCTEOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146755 179239606 /nfs/dbraw/zinc/23/96/06/179239606.db2.gz KFERGGAORIGHHW-INIZCTEOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146755 179239607 /nfs/dbraw/zinc/23/96/07/179239607.db2.gz KFERGGAORIGHHW-INIZCTEOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223183 179252241 /nfs/dbraw/zinc/25/22/41/179252241.db2.gz VZGGZBNVCIBAJF-OAGGEKHMSA-N 2 1 281.488 2.283 10 0 CEAEMP C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223984 179253835 /nfs/dbraw/zinc/25/38/35/179253835.db2.gz MGPTTXKCUUSMIR-KBAYOESNSA-N 2 1 287.451 2.290 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259200 179258155 /nfs/dbraw/zinc/25/81/55/179258155.db2.gz MSFHGSRIGSZLDM-LZLYRXPVSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](CC(C)C)NC[C@@H]2C)CC1 ZINC000086259168 179258475 /nfs/dbraw/zinc/25/84/75/179258475.db2.gz RPTAOFZHCFYAIO-DOTOQJQBSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@@H](CC(C)C)NC[C@@H]2C)CC1 ZINC000086259168 179258476 /nfs/dbraw/zinc/25/84/76/179258476.db2.gz RPTAOFZHCFYAIO-DOTOQJQBSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1CN[C@H](C2CC2)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086259158 179258556 /nfs/dbraw/zinc/25/85/56/179258556.db2.gz FJDUOXKXZZCJMJ-IRXDYDNUSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C2CC2)CN1CC1CC[NH+](CC)CC1 ZINC000086259158 179258557 /nfs/dbraw/zinc/25/85/57/179258557.db2.gz FJDUOXKXZZCJMJ-IRXDYDNUSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)[C@@H](CC)CN1 ZINC000086259180 179258802 /nfs/dbraw/zinc/25/88/02/179258802.db2.gz PZKVMVMFVBJFJP-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1CN(CC2CC[NH+](CC)CC2)[C@@H](CC)C[NH2+]1 ZINC000086259180 179258803 /nfs/dbraw/zinc/25/88/03/179258803.db2.gz PZKVMVMFVBJFJP-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086260756 179260407 /nfs/dbraw/zinc/26/04/07/179260407.db2.gz KJYSALDPMHIMRG-IKGGRYGDSA-N 2 1 281.488 2.425 10 0 CEAEMP CC(C)C[C@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288728 179264640 /nfs/dbraw/zinc/26/46/40/179264640.db2.gz YPBXSMNSHGPYTB-INIZCTEOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288728 179264642 /nfs/dbraw/zinc/26/46/42/179264642.db2.gz YPBXSMNSHGPYTB-INIZCTEOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259012 179256849 /nfs/dbraw/zinc/25/68/49/179256849.db2.gz JDZGONGKYRXWRD-JKSUJKDBSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259012 179256851 /nfs/dbraw/zinc/25/68/51/179256851.db2.gz JDZGONGKYRXWRD-JKSUJKDBSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259087 179257113 /nfs/dbraw/zinc/25/71/13/179257113.db2.gz HLVSYFYISIAIIJ-HIFRSBDPSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259087 179257115 /nfs/dbraw/zinc/25/71/15/179257115.db2.gz HLVSYFYISIAIIJ-HIFRSBDPSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259089 179257268 /nfs/dbraw/zinc/25/72/68/179257268.db2.gz HLVSYFYISIAIIJ-UKRRQHHQSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259089 179257269 /nfs/dbraw/zinc/25/72/69/179257269.db2.gz HLVSYFYISIAIIJ-UKRRQHHQSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291487 179265966 /nfs/dbraw/zinc/26/59/66/179265966.db2.gz NBWXRBNSOIFAGC-RDJZCZTQSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291487 179265967 /nfs/dbraw/zinc/26/59/67/179265967.db2.gz NBWXRBNSOIFAGC-RDJZCZTQSA-N 2 1 281.488 2.428 10 0 CEAEMP c1ccc(C[C@H]2C[N@@H+]([C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086297589 179267724 /nfs/dbraw/zinc/26/77/24/179267724.db2.gz JMKXAVCGVUUPCE-DLBZAZTESA-N 2 1 274.408 2.072 10 0 CEAEMP c1ccc(C[C@H]2C[N@H+]([C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086297589 179267727 /nfs/dbraw/zinc/26/77/27/179267727.db2.gz JMKXAVCGVUUPCE-DLBZAZTESA-N 2 1 274.408 2.072 10 0 CEAEMP CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC[N@H+]1C ZINC000086444159 179293995 /nfs/dbraw/zinc/29/39/95/179293995.db2.gz DPGHZHBLIQCFEA-QWRGUYRKSA-N 2 1 280.441 2.010 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@@H]1Cc2ccccc21 ZINC000086488956 179302208 /nfs/dbraw/zinc/30/22/08/179302208.db2.gz GHKRXBXVWRKJHS-ZBFHGGJFSA-N 2 1 253.349 2.134 10 0 CEAEMP CCN(c1ccccc1F)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819533 179348204 /nfs/dbraw/zinc/34/82/04/179348204.db2.gz LGPBHQAIILNAIH-INIZCTEOSA-N 2 1 279.403 2.465 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000086818850 179348910 /nfs/dbraw/zinc/34/89/10/179348910.db2.gz QELOEQMJVUJSAQ-MRXNPFEDSA-N 2 1 284.407 2.446 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835833 179349428 /nfs/dbraw/zinc/34/94/28/179349428.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000086835833 179349430 /nfs/dbraw/zinc/34/94/30/179349430.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000086835833 179349432 /nfs/dbraw/zinc/34/94/32/179349432.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCN2CC)CC1 ZINC000086835833 179349435 /nfs/dbraw/zinc/34/94/35/179349435.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCN2CC)CC1 ZINC000086835833 179349436 /nfs/dbraw/zinc/34/94/36/179349436.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847089 179356029 /nfs/dbraw/zinc/35/60/29/179356029.db2.gz ISFUYYPCWBKVQC-KRWDZBQOSA-N 2 1 290.455 2.105 10 0 CEAEMP CCN(CC1CC1)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848833 179356285 /nfs/dbraw/zinc/35/62/85/179356285.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@H+](CC1CC1)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848833 179356286 /nfs/dbraw/zinc/35/62/86/179356286.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@@H+](CC1CC1)[C@@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086848833 179356289 /nfs/dbraw/zinc/35/62/89/179356289.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+](CC1CC1)[C@@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086848833 179356291 /nfs/dbraw/zinc/35/62/91/179356291.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[NH+](CC1CC1)[C@@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086848833 179356292 /nfs/dbraw/zinc/35/62/92/179356292.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CCC(CC)N(CCOC)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086848160 179356317 /nfs/dbraw/zinc/35/63/17/179356317.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 2 1 299.503 2.327 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086836118 179349898 /nfs/dbraw/zinc/34/98/98/179349898.db2.gz YORHTTPCISKVFP-OAHLLOKOSA-N 2 1 290.407 2.422 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835473 179350591 /nfs/dbraw/zinc/35/05/91/179350591.db2.gz ZXQJGLDXFUGEEQ-WLYUNCDWSA-N 2 1 254.418 2.142 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840915 179352700 /nfs/dbraw/zinc/35/27/00/179352700.db2.gz SIHSWGOUTJDDID-INIZCTEOSA-N 2 1 261.413 2.477 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840766 179353503 /nfs/dbraw/zinc/35/35/03/179353503.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000086840766 179353505 /nfs/dbraw/zinc/35/35/05/179353505.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000086840766 179353506 /nfs/dbraw/zinc/35/35/06/179353506.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840766 179353508 /nfs/dbraw/zinc/35/35/08/179353508.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840766 179353509 /nfs/dbraw/zinc/35/35/09/179353509.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000086840766 179353511 /nfs/dbraw/zinc/35/35/11/179353511.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000086840766 179353512 /nfs/dbraw/zinc/35/35/12/179353512.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCc3ccccc32)CC1 ZINC000086846396 179354578 /nfs/dbraw/zinc/35/45/78/179354578.db2.gz MVOANJMNBZQIFN-KRWDZBQOSA-N 2 1 273.424 2.252 10 0 CEAEMP CCOC(=O)C[C@@]1([NH+](C)C)CCC[N@H+](C(C)C)CC1 ZINC000086868531 179360868 /nfs/dbraw/zinc/36/08/68/179360868.db2.gz YKDOTCLSFJZXCQ-OAHLLOKOSA-N 2 1 270.417 2.134 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851002 179359362 /nfs/dbraw/zinc/35/93/62/179359362.db2.gz FAQZWSZGWZLQAY-IRXDYDNUSA-N 3 1 279.472 2.325 10 0 CEAEMP CCN1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851002 179359363 /nfs/dbraw/zinc/35/93/63/179359363.db2.gz FAQZWSZGWZLQAY-IRXDYDNUSA-N 2 1 279.472 2.325 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCCC(C)(C)CC1 ZINC000086917018 179367857 /nfs/dbraw/zinc/36/78/57/179367857.db2.gz NDEMGJBLMFCSHP-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCCC2)C1 ZINC000087017532 179380796 /nfs/dbraw/zinc/38/07/96/179380796.db2.gz QRAFBLMWXYGNJD-CABCVRRESA-N 2 1 268.445 2.392 10 0 CEAEMP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087045135 179388343 /nfs/dbraw/zinc/38/83/43/179388343.db2.gz JTTCUVWSLGWFPA-PWUWZPNHSA-N 2 1 268.445 2.248 10 0 CEAEMP C[C@@H]1CCC[C@@H]([C@@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)C1 ZINC000089609284 179828542 /nfs/dbraw/zinc/82/85/42/179828542.db2.gz VZTKHOMXTIEDOL-DJIMGWMZSA-N 2 1 281.488 2.414 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+]1CCc2sccc2C1 ZINC000090565982 180005939 /nfs/dbraw/zinc/00/59/39/180005939.db2.gz KNNRRQPQPIUVFN-KBPBESRZSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+]1CCc2sccc2C1 ZINC000090565982 180005943 /nfs/dbraw/zinc/00/59/43/180005943.db2.gz KNNRRQPQPIUVFN-KBPBESRZSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567046 180006296 /nfs/dbraw/zinc/00/62/96/180006296.db2.gz AINFCZSAOGMXAJ-KGLIPLIRSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000090566972 180006598 /nfs/dbraw/zinc/00/65/98/180006598.db2.gz RLHKTGRDCJXBLK-HUUCEWRRSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC1CCC([N@H+](C)C[C@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090606833 180011321 /nfs/dbraw/zinc/01/13/21/180011321.db2.gz BWKDKCVTJUIXGZ-PFSRBDOWSA-N 2 1 254.418 2.251 10 0 CEAEMP CCC1CCC([N@@H+](C)C[C@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090606833 180011323 /nfs/dbraw/zinc/01/13/23/180011323.db2.gz BWKDKCVTJUIXGZ-PFSRBDOWSA-N 2 1 254.418 2.251 10 0 CEAEMP C[NH2+][C@H]1CC[N@H+](CCOC2CCCCC2)[C@H](C)C1 ZINC000104437963 186002237 /nfs/dbraw/zinc/00/22/37/186002237.db2.gz KBQPWKWTXDDUIZ-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@H]1CC[N@@H+](CCOC2CCCCC2)[C@H](C)C1 ZINC000104437963 186002239 /nfs/dbraw/zinc/00/22/39/186002239.db2.gz KBQPWKWTXDDUIZ-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694628 180025896 /nfs/dbraw/zinc/02/58/96/180025896.db2.gz VDRNOUIQQZECTE-GOEBONIOSA-N 2 1 295.471 2.001 10 0 CEAEMP [NH3+]CC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090891816 180054090 /nfs/dbraw/zinc/05/40/90/180054090.db2.gz KDPWCZSAHDCXLV-HNNXBMFYSA-N 2 1 278.371 2.333 10 0 CEAEMP [NH3+]CC[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090891816 180054092 /nfs/dbraw/zinc/05/40/92/180054092.db2.gz KDPWCZSAHDCXLV-HNNXBMFYSA-N 2 1 278.371 2.333 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897438 180057059 /nfs/dbraw/zinc/05/70/59/180057059.db2.gz SGJYMRIFSRFEMH-ZBFHGGJFSA-N 2 1 274.408 2.230 10 0 CEAEMP C[C@H]1CCCCC[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958711 180074750 /nfs/dbraw/zinc/07/47/50/180074750.db2.gz XHTKXPOFDKZKIH-NSHDSACASA-N 2 1 253.415 2.409 10 0 CEAEMP c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091019483 180088074 /nfs/dbraw/zinc/08/80/74/180088074.db2.gz CXRASQLUTUFOSG-GJZGRUSLSA-N 2 1 270.380 2.279 10 0 CEAEMP c1[nH]c2ncccc2c1C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091019483 180088075 /nfs/dbraw/zinc/08/80/75/180088075.db2.gz CXRASQLUTUFOSG-GJZGRUSLSA-N 2 1 270.380 2.279 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000091273044 180117612 /nfs/dbraw/zinc/11/76/12/180117612.db2.gz FCMNDUCCUDFRHU-ZDUSSCGKSA-N 2 1 250.390 2.025 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091429095 180152805 /nfs/dbraw/zinc/15/28/05/180152805.db2.gz HBBDTBIRPULMLT-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091429095 180152806 /nfs/dbraw/zinc/15/28/06/180152806.db2.gz HBBDTBIRPULMLT-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CN(C)[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000091432379 180153614 /nfs/dbraw/zinc/15/36/14/180153614.db2.gz DDFOYQXRUWWMRO-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000091432379 180153615 /nfs/dbraw/zinc/15/36/15/180153615.db2.gz DDFOYQXRUWWMRO-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP C[N@H+]1CCCC[C@H]1COc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091435561 180154398 /nfs/dbraw/zinc/15/43/98/180154398.db2.gz SPQOSGYPLMOSIH-AWEZNQCLSA-N 2 1 292.427 2.228 10 0 CEAEMP C[NH2+][C@H]1CCC(C)(C)C[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091490574 180169994 /nfs/dbraw/zinc/16/99/94/180169994.db2.gz KTDKLRVGNSNMMB-SHWKFHJASA-N 2 1 268.445 2.103 10 0 CEAEMP C[N@H+](CC1CC(O)C1)CC(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000091499454 180173891 /nfs/dbraw/zinc/17/38/91/180173891.db2.gz RLDXACCDAUAONU-AVVWSFFYSA-N 2 1 276.424 2.415 10 0 CEAEMP C[N@@H+](CC1CC(O)C1)CC(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000091499454 180173892 /nfs/dbraw/zinc/17/38/92/180173892.db2.gz RLDXACCDAUAONU-AVVWSFFYSA-N 2 1 276.424 2.415 10 0 CEAEMP CC[NH2+][C@@H](CC[N@@H+](C)CC1CC(O)C1)C(C)(C)C ZINC000091499036 180174176 /nfs/dbraw/zinc/17/41/76/180174176.db2.gz DLZVCQAXIPOVAN-RUXDESIVSA-N 2 1 256.434 2.103 10 0 CEAEMP CCC[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCC1 ZINC000091563637 180192974 /nfs/dbraw/zinc/19/29/74/180192974.db2.gz ZWMSBCGYWMFUKW-MRXNPFEDSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1cccnc1N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607272 180204084 /nfs/dbraw/zinc/20/40/84/180204084.db2.gz QVGUEFWTRQKCMO-DOTOQJQBSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[C@](C)([C@H](Cc1ccccn1)[NH2+]C)[NH+]1CCCC1 ZINC000091606062 180204486 /nfs/dbraw/zinc/20/44/86/180204486.db2.gz LXNADALMEJNUMT-JKSUJKDBSA-N 2 1 261.413 2.477 10 0 CEAEMP CCc1cc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)n(CC)n1 ZINC000091533975 180181222 /nfs/dbraw/zinc/18/12/22/180181222.db2.gz FHBZHPQWZBAGNL-OAHLLOKOSA-N 2 1 278.444 2.210 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(CC)nn1C)C(C)(C)[NH+]1CCCC1 ZINC000091535601 180182247 /nfs/dbraw/zinc/18/22/47/180182247.db2.gz BCZHKBIKQNULCS-MRXNPFEDSA-N 2 1 292.471 2.378 10 0 CEAEMP Cc1cc(C[C@@H]([NH3+])C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640679 180212976 /nfs/dbraw/zinc/21/29/76/180212976.db2.gz JKUMLWQGPCTWLD-OAHLLOKOSA-N 2 1 276.428 2.007 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721823 180240175 /nfs/dbraw/zinc/24/01/75/180240175.db2.gz NADDXUHFDFQHNV-KZNAEPCWSA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721823 180240176 /nfs/dbraw/zinc/24/01/76/180240176.db2.gz NADDXUHFDFQHNV-KZNAEPCWSA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](CCc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722009 180240345 /nfs/dbraw/zinc/24/03/45/180240345.db2.gz QKEBSKRPJARDBM-KURKYZTESA-N 2 1 288.435 2.461 10 0 CEAEMP CC[NH2+][C@H](CCc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722009 180240346 /nfs/dbraw/zinc/24/03/46/180240346.db2.gz QKEBSKRPJARDBM-KURKYZTESA-N 2 1 288.435 2.461 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721891 180241076 /nfs/dbraw/zinc/24/10/76/180241076.db2.gz ZYEMSUKMQZHYHP-BRWVUGGUSA-N 2 1 292.398 2.210 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721891 180241079 /nfs/dbraw/zinc/24/10/79/180241079.db2.gz ZYEMSUKMQZHYHP-BRWVUGGUSA-N 2 1 292.398 2.210 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847941 180270792 /nfs/dbraw/zinc/27/07/92/180270792.db2.gz JFDNHORTZOVSRG-OPFPJEHXSA-N 2 1 275.396 2.215 10 0 CEAEMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870685 180277341 /nfs/dbraw/zinc/27/73/41/180277341.db2.gz FEGSERYYOIPNBV-HSBZDZAISA-N 2 1 283.460 2.142 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)NC(C)C)CC1 ZINC000091870214 180277375 /nfs/dbraw/zinc/27/73/75/180277375.db2.gz CRBSCFRLNMZBGI-WLYUNCDWSA-N 2 1 283.460 2.142 10 0 CEAEMP CCC1CCC(C[NH3+])([C@@]2(O)CC[N@H+](C3CC3)C2)CC1 ZINC000091907333 180283893 /nfs/dbraw/zinc/28/38/93/180283893.db2.gz XITGXKTXSRSJGI-AVVWSFFYSA-N 2 1 266.429 2.131 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000092051115 180312169 /nfs/dbraw/zinc/31/21/69/180312169.db2.gz IBNSUASBLVHSFN-CJNGLKHVSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000092051115 180312171 /nfs/dbraw/zinc/31/21/71/180312171.db2.gz IBNSUASBLVHSFN-CJNGLKHVSA-N 2 1 278.396 2.067 10 0 CEAEMP CCC1CCC(C[NH3+])(OC[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000092050589 180312306 /nfs/dbraw/zinc/31/23/06/180312306.db2.gz CCOGNKNQSUZMNC-PCKAHOCUSA-N 2 1 284.444 2.021 10 0 CEAEMP CCC1CCC(C[NH3+])(OC[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000092050589 180312308 /nfs/dbraw/zinc/31/23/08/180312308.db2.gz CCOGNKNQSUZMNC-PCKAHOCUSA-N 2 1 284.444 2.021 10 0 CEAEMP CC[C@@H]([NH2+]C)c1ccccc1OC[C@H]1C[N@H+](CC)CCO1 ZINC000092051113 180312343 /nfs/dbraw/zinc/31/23/43/180312343.db2.gz RSYKFIJXLQYAJP-GDBMZVCRSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[C@@H]([NH2+]C)c1ccccc1OC[C@H]1C[N@@H+](CC)CCO1 ZINC000092051113 180312345 /nfs/dbraw/zinc/31/23/45/180312345.db2.gz RSYKFIJXLQYAJP-GDBMZVCRSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[NH2+]Cc1cc(C)c(OC[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000092054028 180312850 /nfs/dbraw/zinc/31/28/50/180312850.db2.gz CNRMMGWPCLSLPU-INIZCTEOSA-N 2 1 292.423 2.122 10 0 CEAEMP CC[NH2+]Cc1cc(C)c(OC[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000092054028 180312853 /nfs/dbraw/zinc/31/28/53/180312853.db2.gz CNRMMGWPCLSLPU-INIZCTEOSA-N 2 1 292.423 2.122 10 0 CEAEMP CC(C)[C@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003828 180304215 /nfs/dbraw/zinc/30/42/15/180304215.db2.gz NNRRHFSJVDCBPE-XHSDSOJGSA-N 2 1 295.471 2.083 10 0 CEAEMP CC(C)[C@@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003832 180304546 /nfs/dbraw/zinc/30/45/46/180304546.db2.gz NNRRHFSJVDCBPE-OAGGEKHMSA-N 2 1 295.471 2.083 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000110977837 186338842 /nfs/dbraw/zinc/33/88/42/186338842.db2.gz VSLPBRCLWLATHH-ZBFHGGJFSA-N 2 1 279.403 2.160 10 0 CEAEMP CC[C@H]1CN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000110694771 186312531 /nfs/dbraw/zinc/31/25/31/186312531.db2.gz AXBMNLJSBYIWIA-DOMZBBRYSA-N 2 1 290.411 2.264 10 0 CEAEMP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110704822 186314032 /nfs/dbraw/zinc/31/40/32/186314032.db2.gz FSUOXBWSMGEOLH-TZMCWYRMSA-N 2 1 281.469 2.471 10 0 CEAEMP COc1ccc([C@@H]([NH3+])[C@@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716419 186315520 /nfs/dbraw/zinc/31/55/20/186315520.db2.gz PYIZHRHZGNQCAF-CJNGLKHVSA-N 2 1 291.439 2.110 10 0 CEAEMP CCC[NH2+][C@@H](CC)[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717312 186316051 /nfs/dbraw/zinc/31/60/51/186316051.db2.gz LOPSNTGOPZMZNJ-KGLIPLIRSA-N 2 1 255.450 2.179 10 0 CEAEMP C[N@H+]1CCN(C2(C[NH3+])CCCCCCC2)CC1(C)C ZINC000110711995 186316181 /nfs/dbraw/zinc/31/61/81/186316181.db2.gz WPCBIDMRHNOWNI-UHFFFAOYSA-N 2 1 267.461 2.454 10 0 CEAEMP C[N@H+]1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1(C)C ZINC000110755469 186320668 /nfs/dbraw/zinc/32/06/68/186320668.db2.gz KUVQDISUFSWSID-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CN1CC[N@H+](Cc2ccccc2C[NH2+]C2CC2)CC1(C)C ZINC000110755469 186320670 /nfs/dbraw/zinc/32/06/70/186320670.db2.gz KUVQDISUFSWSID-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CN1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CC1(C)C ZINC000110755469 186320672 /nfs/dbraw/zinc/32/06/72/186320672.db2.gz KUVQDISUFSWSID-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110754290 186321095 /nfs/dbraw/zinc/32/10/95/186321095.db2.gz XGXMXFSAVFPION-KBPBESRZSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[NH2+]C[C@](C)(CC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747256 186321525 /nfs/dbraw/zinc/32/15/25/186321525.db2.gz RCXRUXKZKSKPID-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[C@@H]1CN([C@@H](C)C[NH2+]C2CCCCC2)CC[N@H+]1C ZINC000110757034 186321611 /nfs/dbraw/zinc/32/16/11/186321611.db2.gz PEGPSTCALHIYCP-GOEBONIOSA-N 2 1 267.461 2.323 10 0 CEAEMP CCOCC[N@@H+](CC)[C@@H](CC[NH3+])c1ccccc1 ZINC000111117250 186355301 /nfs/dbraw/zinc/35/53/01/186355301.db2.gz IEHUELRJOZKVLQ-HNNXBMFYSA-N 2 1 250.386 2.435 10 0 CEAEMP C[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171865 186365168 /nfs/dbraw/zinc/36/51/68/186365168.db2.gz IHVGWLXUHXQWEY-RRFJBIMHSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326440 186399203 /nfs/dbraw/zinc/39/92/03/186399203.db2.gz UQURAKKYOURJCQ-IRXDYDNUSA-N 2 1 298.471 2.284 10 0 CEAEMP CO[C@@H]1C[N@H+](CCCOCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364191 351713200 /nfs/dbraw/zinc/71/32/00/351713200.db2.gz DNHGSJWMQYHJQF-IRXDYDNUSA-N 2 1 292.423 2.031 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCCOCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364191 351713203 /nfs/dbraw/zinc/71/32/03/351713203.db2.gz DNHGSJWMQYHJQF-IRXDYDNUSA-N 2 1 292.423 2.031 10 0 CEAEMP CCOC(=O)CCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178325320 189107679 /nfs/dbraw/zinc/10/76/79/189107679.db2.gz QKQPLWSNCMBFRY-HNNXBMFYSA-N 2 1 293.411 2.389 10 0 CEAEMP CCOC(=O)CCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178325320 189107680 /nfs/dbraw/zinc/10/76/80/189107680.db2.gz QKQPLWSNCMBFRY-HNNXBMFYSA-N 2 1 293.411 2.389 10 0 CEAEMP C[C@H](C[C@H](C)[NH3+])Nc1cc[nH+]cc1Br ZINC000160031883 366967227 /nfs/dbraw/zinc/96/72/27/366967227.db2.gz DREKJORIAFYMOH-JGVFFNPUSA-N 2 1 258.163 2.382 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631838851 367579239 /nfs/dbraw/zinc/57/92/39/367579239.db2.gz WDJCWRDVLLRQJD-ZBFHGGJFSA-N 2 1 262.397 2.120 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C[NH3+] ZINC000631841972 367584223 /nfs/dbraw/zinc/58/42/23/367584223.db2.gz SOZPYQQFFOWTKN-KOLCDFICSA-N 2 1 282.771 2.095 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C[NH3+] ZINC000631841972 367584227 /nfs/dbraw/zinc/58/42/27/367584227.db2.gz SOZPYQQFFOWTKN-KOLCDFICSA-N 2 1 282.771 2.095 10 0 CEAEMP COCc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231455007 370478792 /nfs/dbraw/zinc/47/87/92/370478792.db2.gz JVKMMFLWORLPDC-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231460715 370480811 /nfs/dbraw/zinc/48/08/11/370480811.db2.gz KPPSZDOOOFDIBI-MRXNPFEDSA-N 2 1 284.407 2.446 10 0 CEAEMP C[N@@H+](CCOc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231671123 370486977 /nfs/dbraw/zinc/48/69/77/370486977.db2.gz BDEQDHCEDPJXNJ-CYBMUJFWSA-N 2 1 266.360 2.278 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000261577492 371659504 /nfs/dbraw/zinc/65/95/04/371659504.db2.gz CSXBJPXBXXOOPT-OBJOEFQTSA-N 2 1 264.344 2.003 10 0 CEAEMP Cc1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)o1 ZINC000261727611 371712052 /nfs/dbraw/zinc/71/20/52/371712052.db2.gz LRPIDYDBFPMBQT-CABCVRRESA-N 2 1 271.364 2.157 10 0 CEAEMP Cc1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)o1 ZINC000261727611 371712056 /nfs/dbraw/zinc/71/20/56/371712056.db2.gz LRPIDYDBFPMBQT-CABCVRRESA-N 2 1 271.364 2.157 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@@H]12 ZINC000261743656 371717814 /nfs/dbraw/zinc/71/78/14/371717814.db2.gz MGNQVTSCIAADGG-RAIGVLPGSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@@H]12 ZINC000261743656 371717826 /nfs/dbraw/zinc/71/78/26/371717826.db2.gz MGNQVTSCIAADGG-RAIGVLPGSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@H]12 ZINC000261743658 371718472 /nfs/dbraw/zinc/71/84/72/371718472.db2.gz MGNQVTSCIAADGG-WCFLWFBJSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@H]12 ZINC000261743658 371718475 /nfs/dbraw/zinc/71/84/75/371718475.db2.gz MGNQVTSCIAADGG-WCFLWFBJSA-N 2 1 282.334 2.457 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261813016 371740084 /nfs/dbraw/zinc/74/00/84/371740084.db2.gz ZWPBYVSNTKWFAS-JKSUJKDBSA-N 2 1 295.471 2.227 10 0 CEAEMP Cc1ccccc1[C@@H]1CCCN1Cc1noc(C[NH3+])n1 ZINC000261689207 371701403 /nfs/dbraw/zinc/70/14/03/371701403.db2.gz IXZOZDSHHLLYAU-ZDUSSCGKSA-N 2 1 272.352 2.174 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261992617 371793008 /nfs/dbraw/zinc/79/30/08/371793008.db2.gz SZBDQOLLRYEHQW-DJIMGWMZSA-N 2 1 292.398 2.381 10 0 CEAEMP CCC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000334256158 206264950 /nfs/dbraw/zinc/26/49/50/206264950.db2.gz MCDDRFLLSQQCPT-INIZCTEOSA-N 2 1 266.429 2.269 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000389868488 375307600 /nfs/dbraw/zinc/30/76/00/375307600.db2.gz NHIZZSXNIYBBCZ-UBDQQSCGSA-N 2 1 287.451 2.224 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000389868488 375307608 /nfs/dbraw/zinc/30/76/08/375307608.db2.gz NHIZZSXNIYBBCZ-UBDQQSCGSA-N 2 1 287.451 2.224 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCC[N@@H+](C)C[C@@H](C)CC ZINC000085239968 184608566 /nfs/dbraw/zinc/60/85/66/184608566.db2.gz JHGLDRPLUMXQQG-LSDHHAIUSA-N 2 1 258.450 2.495 10 0 CEAEMP CCOC(=O)CC1([NH+]2CCCCC2)CC[NH+](CC)CC1 ZINC000080692045 177692960 /nfs/dbraw/zinc/69/29/60/177692960.db2.gz YWQCUJRIHVBQPF-UHFFFAOYSA-N 2 1 282.428 2.280 10 0 CEAEMP CCCn1cc[nH+]c1Cc1cc(OC)c(OC)cc1C[NH3+] ZINC000094141369 184755872 /nfs/dbraw/zinc/75/58/72/184755872.db2.gz QEVFNTMRTALTES-UHFFFAOYSA-N 2 1 289.379 2.360 10 0 CEAEMP C[N@@H+](CCC[C@](C)(O)C[NH3+])C1CCC(C)(C)CC1 ZINC000094862496 184882350 /nfs/dbraw/zinc/88/23/50/184882350.db2.gz BTFFRPRXASADED-HNNXBMFYSA-N 2 1 256.434 2.377 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000092957674 135077756 /nfs/dbraw/zinc/07/77/56/135077756.db2.gz FBORPFHERXNERL-CVEARBPZSA-N 2 1 273.424 2.115 10 0 CEAEMP [NH3+]Cc1cc(Cl)ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094438305 135087833 /nfs/dbraw/zinc/08/78/33/135087833.db2.gz DYLNGMKJLKVJDX-CQSZACIVSA-N 2 1 279.815 2.473 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc(C[NH3+])cc1Cl ZINC000094443295 135088558 /nfs/dbraw/zinc/08/85/58/135088558.db2.gz YFVBMYYIUJSWDM-WCQYABFASA-N 2 1 294.830 2.257 10 0 CEAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918624 394609326 /nfs/dbraw/zinc/60/93/26/394609326.db2.gz BIKQNICHZZKCAU-ZBFHGGJFSA-N 2 1 276.428 2.082 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000121086410 394791605 /nfs/dbraw/zinc/79/16/05/394791605.db2.gz NVCCLYYLUQENGQ-HOTGVXAUSA-N 2 1 280.456 2.367 10 0 CEAEMP COC[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000173780147 395115819 /nfs/dbraw/zinc/11/58/19/395115819.db2.gz ZHBULTBXOIHZPV-KBPBESRZSA-N 2 1 263.385 2.159 10 0 CEAEMP COC[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000173780147 395115821 /nfs/dbraw/zinc/11/58/21/395115821.db2.gz ZHBULTBXOIHZPV-KBPBESRZSA-N 2 1 263.385 2.159 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000177133427 395146218 /nfs/dbraw/zinc/14/62/18/395146218.db2.gz LNVQPTFSTBCBFP-GJZGRUSLSA-N 2 1 291.439 2.167 10 0 CEAEMP COCC[NH+](CCOC)[C@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037489430 173230791 /nfs/dbraw/zinc/23/07/91/173230791.db2.gz RTCNCEIPGOGQIU-GDBMZVCRSA-N 2 1 286.460 2.125 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000040593368 174347460 /nfs/dbraw/zinc/34/74/60/174347460.db2.gz DEYUVOUQGMRMBN-WMLDXEAASA-N 2 1 258.409 2.475 10 0 CEAEMP CC(C)=CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040673051 174371671 /nfs/dbraw/zinc/37/16/71/174371671.db2.gz ZQPYCGFVYZTOSE-MRXNPFEDSA-N 2 1 265.445 2.101 10 0 CEAEMP CC(C)=CC[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040673051 174371672 /nfs/dbraw/zinc/37/16/72/174371672.db2.gz ZQPYCGFVYZTOSE-MRXNPFEDSA-N 2 1 265.445 2.101 10 0 CEAEMP CCNc1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040707331 174379660 /nfs/dbraw/zinc/37/96/60/174379660.db2.gz GSDUELPIXKIREI-UHFFFAOYSA-N 2 1 292.431 2.212 10 0 CEAEMP CCNc1nc[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040707331 174379661 /nfs/dbraw/zinc/37/96/61/174379661.db2.gz GSDUELPIXKIREI-UHFFFAOYSA-N 2 1 292.431 2.212 10 0 CEAEMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040735924 174389347 /nfs/dbraw/zinc/38/93/47/174389347.db2.gz DLIUAWNSRRAUNC-DZGCQCFKSA-N 2 1 262.397 2.255 10 0 CEAEMP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000043248506 174992875 /nfs/dbraw/zinc/99/28/75/174992875.db2.gz RRLOHEMPBHESOV-GXTWGEPZSA-N 2 1 279.453 2.225 10 0 CEAEMP FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326959 175008640 /nfs/dbraw/zinc/00/86/40/175008640.db2.gz PDPFFFYNZBEROV-QJPTWQEYSA-N 2 1 280.334 2.218 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](CC)CC1 ZINC000043363780 175023989 /nfs/dbraw/zinc/02/39/89/175023989.db2.gz URGKFIYPMPKOBH-ZFWWWQNUSA-N 2 1 265.401 2.004 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC[N@@H+](C)CC1 ZINC000043363935 175025096 /nfs/dbraw/zinc/02/50/96/175025096.db2.gz FKODOIFEQZKTHS-UKRRQHHQSA-N 2 1 265.401 2.004 10 0 CEAEMP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818168 175112855 /nfs/dbraw/zinc/11/28/55/175112855.db2.gz ZUNHYLLFXFACMM-RDJZCZTQSA-N 2 1 275.440 2.282 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895190 175119169 /nfs/dbraw/zinc/11/91/69/175119169.db2.gz DROQSSPVKDRSHR-CWRNSKLLSA-N 2 1 296.455 2.381 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895190 175119170 /nfs/dbraw/zinc/11/91/70/175119170.db2.gz DROQSSPVKDRSHR-CWRNSKLLSA-N 2 1 296.455 2.381 10 0 CEAEMP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)CCOC)c1 ZINC000043916146 175125159 /nfs/dbraw/zinc/12/51/59/175125159.db2.gz PPVFQOAAAYZJRC-CYBMUJFWSA-N 2 1 280.412 2.444 10 0 CEAEMP CCC[NH+]1CCN(C(=O)C(C[NH3+])(CCC)CCC)CC1 ZINC000044793511 175254235 /nfs/dbraw/zinc/25/42/35/175254235.db2.gz JVIYBAXECAZXNL-UHFFFAOYSA-N 2 1 283.460 2.086 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](Cn2c(N)[nH+]c3cc(F)ccc32)C1 ZINC000045136017 175313501 /nfs/dbraw/zinc/31/35/01/175313501.db2.gz CMWSQCZMOCZXMD-NSHDSACASA-N 2 1 276.359 2.488 10 0 CEAEMP Cn1cc[nH+]c1CCNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000045136081 175313518 /nfs/dbraw/zinc/31/35/18/175313518.db2.gz GZRGNEHWLTWINH-CYBMUJFWSA-N 2 1 286.404 2.396 10 0 CEAEMP CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045370459 175364449 /nfs/dbraw/zinc/36/44/49/175364449.db2.gz XSPRCRFIDVSUCD-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045370459 175364451 /nfs/dbraw/zinc/36/44/51/175364451.db2.gz XSPRCRFIDVSUCD-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH3+])C(=O)OC)C(C)C ZINC000045385807 175372208 /nfs/dbraw/zinc/37/22/08/175372208.db2.gz NAOQMZQTOXGALV-AWEZNQCLSA-N 2 1 258.406 2.168 10 0 CEAEMP CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045387955 175374248 /nfs/dbraw/zinc/37/42/48/175374248.db2.gz PXAARCGSYNBWKH-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045387955 175374249 /nfs/dbraw/zinc/37/42/49/175374249.db2.gz PXAARCGSYNBWKH-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)C1CCCC1)C(N)=O ZINC000045390502 175374497 /nfs/dbraw/zinc/37/44/97/175374497.db2.gz LDUYMUNEHVRHCB-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045392847 175375867 /nfs/dbraw/zinc/37/58/67/175375867.db2.gz VYKMLZNAUSCIDJ-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045392847 175375869 /nfs/dbraw/zinc/37/58/69/175375869.db2.gz VYKMLZNAUSCIDJ-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000071124581 176034855 /nfs/dbraw/zinc/03/48/55/176034855.db2.gz QIHSMIDZQGRVHL-XHSDSOJGSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124167 176035118 /nfs/dbraw/zinc/03/51/18/176035118.db2.gz MESIQKMBIZHTJN-XHSDSOJGSA-N 2 1 286.460 2.267 10 0 CEAEMP CCCC[C@@H](CC)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150922 176045250 /nfs/dbraw/zinc/04/52/50/176045250.db2.gz AOQWWMVFYANVET-OAHLLOKOSA-N 2 1 255.450 2.040 10 0 CEAEMP CCc1ccccc1[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188394 176063087 /nfs/dbraw/zinc/06/30/87/176063087.db2.gz VXAFSUQFHFPTEK-RHSMWYFYSA-N 2 1 275.440 2.132 10 0 CEAEMP Cc1ccc(C)c([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188330 176063184 /nfs/dbraw/zinc/06/31/84/176063184.db2.gz JUTJQFAIOZTTNQ-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP C[NH2+][C@@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189410 176064862 /nfs/dbraw/zinc/06/48/62/176064862.db2.gz ASKQZJFWKYOIFH-QWHCGFSZSA-N 2 1 279.403 2.494 10 0 CEAEMP C[N@H+](Cc1ccc2c(c1)CCCN2)C[C@@H]1CC[NH+](C)C1 ZINC000071190881 176067614 /nfs/dbraw/zinc/06/76/14/176067614.db2.gz MKUQJRBFGODYCN-OAHLLOKOSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCCN2)C[C@@H]1CC[N@H+](C)C1 ZINC000071190881 176067616 /nfs/dbraw/zinc/06/76/16/176067616.db2.gz MKUQJRBFGODYCN-OAHLLOKOSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1ccc2c(c1)CCCN2)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190881 176067617 /nfs/dbraw/zinc/06/76/17/176067617.db2.gz MKUQJRBFGODYCN-OAHLLOKOSA-N 2 1 273.424 2.428 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ncccc1C[NH2+]C(C)(C)C ZINC000071191655 176069698 /nfs/dbraw/zinc/06/96/98/176069698.db2.gz HXRBJUJQKNULRU-AWEZNQCLSA-N 2 1 290.455 2.358 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191840 176071206 /nfs/dbraw/zinc/07/12/06/176071206.db2.gz FPUAXZYGGKRANB-HUUCEWRRSA-N 3 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191840 176071207 /nfs/dbraw/zinc/07/12/07/176071207.db2.gz FPUAXZYGGKRANB-HUUCEWRRSA-N 3 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191840 176071209 /nfs/dbraw/zinc/07/12/09/176071209.db2.gz FPUAXZYGGKRANB-HUUCEWRRSA-N 3 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191840 176071211 /nfs/dbraw/zinc/07/12/11/176071211.db2.gz FPUAXZYGGKRANB-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191840 176071213 /nfs/dbraw/zinc/07/12/13/176071213.db2.gz FPUAXZYGGKRANB-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191841 176071985 /nfs/dbraw/zinc/07/19/85/176071985.db2.gz FPUAXZYGGKRANB-LSDHHAIUSA-N 3 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191841 176071987 /nfs/dbraw/zinc/07/19/87/176071987.db2.gz FPUAXZYGGKRANB-LSDHHAIUSA-N 3 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191841 176071989 /nfs/dbraw/zinc/07/19/89/176071989.db2.gz FPUAXZYGGKRANB-LSDHHAIUSA-N 3 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191841 176071990 /nfs/dbraw/zinc/07/19/90/176071990.db2.gz FPUAXZYGGKRANB-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191841 176071992 /nfs/dbraw/zinc/07/19/92/176071992.db2.gz FPUAXZYGGKRANB-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191826 176072603 /nfs/dbraw/zinc/07/26/03/176072603.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 2 1 279.428 2.163 10 0 CEAEMP C[NH2+][C@H]1CCCc2nc(N(C)C[C@@H]3CC[N@@H+](C)C3)sc21 ZINC000071192517 176074827 /nfs/dbraw/zinc/07/48/27/176074827.db2.gz YUBPFWMSXGSOIH-NEPJUHHUSA-N 2 1 294.468 2.128 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250556 176094806 /nfs/dbraw/zinc/09/48/06/176094806.db2.gz AKGBGQSFIGVNTO-XHDPSFHLSA-N 2 1 266.360 2.284 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250556 176094807 /nfs/dbraw/zinc/09/48/07/176094807.db2.gz AKGBGQSFIGVNTO-XHDPSFHLSA-N 2 1 266.360 2.284 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC(C)(C)[NH2+]C[C@H]2C)c1C ZINC000071342213 176130191 /nfs/dbraw/zinc/13/01/91/176130191.db2.gz YEGBPFSTQWWWQT-GFCCVEGCSA-N 2 1 277.412 2.279 10 0 CEAEMP CC[C@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345624 176131913 /nfs/dbraw/zinc/13/19/13/176131913.db2.gz DUKNPDOFRNBWKH-JKSUJKDBSA-N 2 1 276.428 2.044 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C(C)(C)C)[NH2+]CC1(C)C ZINC000071348438 176133159 /nfs/dbraw/zinc/13/31/59/176133159.db2.gz REXOELVGWICNHH-AWEZNQCLSA-N 2 1 278.444 2.290 10 0 CEAEMP c1csc([C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260287 415727790 /nfs/dbraw/zinc/72/77/90/415727790.db2.gz KNAAJEJRWCKMPI-CHWSQXEVSA-N 2 1 293.436 2.191 10 0 CEAEMP c1csc([C@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260287 415727797 /nfs/dbraw/zinc/72/77/97/415727797.db2.gz KNAAJEJRWCKMPI-CHWSQXEVSA-N 2 1 293.436 2.191 10 0 CEAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000390555423 262216388 /nfs/dbraw/zinc/21/63/88/262216388.db2.gz LFUUICPNYHESCS-SJORKVTESA-N 2 1 287.451 2.239 10 0 CEAEMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2c1cccc2O ZINC000296680547 277079395 /nfs/dbraw/zinc/07/93/95/277079395.db2.gz LJAOXRHXSPTWMT-WFASDCNBSA-N 2 1 260.381 2.453 10 0 CEAEMP CCC[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245653439 280254921 /nfs/dbraw/zinc/25/49/21/280254921.db2.gz IDWATPKTEDZISZ-GJZGRUSLSA-N 2 1 270.461 2.447 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000053012178 518761150 /nfs/dbraw/zinc/76/11/50/518761150.db2.gz KLZUKUHWIPVTID-AWEZNQCLSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000053012178 518761158 /nfs/dbraw/zinc/76/11/58/518761158.db2.gz KLZUKUHWIPVTID-AWEZNQCLSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)[C@@H]2CCSC2)CCOCC1 ZINC000052181490 519719536 /nfs/dbraw/zinc/71/95/36/519719536.db2.gz ANQAWVQYFVFCRK-CQSZACIVSA-N 2 1 286.485 2.219 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000052382312 519953933 /nfs/dbraw/zinc/95/39/33/519953933.db2.gz XKGDXBOWWKQZDO-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000052382312 519953941 /nfs/dbraw/zinc/95/39/41/519953941.db2.gz XKGDXBOWWKQZDO-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[NH+]1CCSCC1 ZINC000052425533 519959674 /nfs/dbraw/zinc/95/96/74/519959674.db2.gz NLFVLXQZVVPBOA-UHFFFAOYSA-N 2 1 254.399 2.328 10 0 CEAEMP CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069288292 520063293 /nfs/dbraw/zinc/06/32/93/520063293.db2.gz IREFTHCVDMTSSN-ZIAGYGMSSA-N 2 1 254.418 2.266 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000062739429 520517512 /nfs/dbraw/zinc/51/75/12/520517512.db2.gz ISHANNHCWRVOCU-OAHLLOKOSA-N 2 1 250.386 2.261 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](CC)Cc1ccccc1 ZINC000062740798 520515699 /nfs/dbraw/zinc/51/56/99/520515699.db2.gz NWUOMKATGURBKK-HNNXBMFYSA-N 2 1 250.386 2.262 10 0 CEAEMP CC[N@@H+]([C@@H](C)COC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023372 521471768 /nfs/dbraw/zinc/47/17/68/521471768.db2.gz ARAZJPVGPMEYKT-JSGCOSHPSA-N 2 1 263.385 2.411 10 0 CEAEMP CCC[N@@H+](CCOC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049260919 521668940 /nfs/dbraw/zinc/66/89/40/521668940.db2.gz AAWXCKZYOKEOMG-YIONKMFJSA-N 2 1 254.418 2.406 10 0 CEAEMP CC(C)C[N@H+](CCN(C)C)[C@H](C)CC[NH2+]C(C)C ZINC000052503422 519716752 /nfs/dbraw/zinc/71/67/52/519716752.db2.gz KMFASMYMSIIKRD-OAHLLOKOSA-N 2 1 257.466 2.283 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)[C@H](C)CC[NH2+]C(C)C ZINC000052503422 519716753 /nfs/dbraw/zinc/71/67/53/519716753.db2.gz KMFASMYMSIIKRD-OAHLLOKOSA-N 2 1 257.466 2.283 10 0 CEAEMP CC(C)CN1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083733 519725616 /nfs/dbraw/zinc/72/56/16/519725616.db2.gz OWGMMFXXHYNNGQ-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)CN1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000055077571 519727827 /nfs/dbraw/zinc/72/78/27/519727827.db2.gz ORTFNNJAIXAZOM-BZUAXINKSA-N 2 1 267.461 2.024 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068621121 519739563 /nfs/dbraw/zinc/73/95/63/519739563.db2.gz BEZQFBIAGLICKZ-CZUORRHYSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068621121 519739565 /nfs/dbraw/zinc/73/95/65/519739565.db2.gz BEZQFBIAGLICKZ-CZUORRHYSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C(C)C)CCOCC1 ZINC000052180885 519742911 /nfs/dbraw/zinc/74/29/11/519742911.db2.gz IZOBUZLBPCZSSU-UHFFFAOYSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C2CC2)CCOCC1 ZINC000052181277 519742932 /nfs/dbraw/zinc/74/29/32/519742932.db2.gz NRHOOMLMCBWEPF-UHFFFAOYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]CCCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571567 519743125 /nfs/dbraw/zinc/74/31/25/519743125.db2.gz GDGDINDFGGYVQP-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)[C@@H](C[NH2+]C1CC1)OCC[C@H]1CCC[N@H+]1C ZINC000052672826 519794845 /nfs/dbraw/zinc/79/48/45/519794845.db2.gz VDAMRJJPJXCHET-HUUCEWRRSA-N 2 1 254.418 2.264 10 0 CEAEMP CCCC1CC[NH+]([C@H]2CC3(CC[C@H]2[NH2+]C)OCCO3)CC1 ZINC000050893620 519903598 /nfs/dbraw/zinc/90/35/98/519903598.db2.gz ZCXFPDJXQXDEKM-CVEARBPZSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)OCC ZINC000054602652 519908051 /nfs/dbraw/zinc/90/80/51/519908051.db2.gz SVRKHXYBQJXTHX-GOOCMWNKSA-N 2 1 282.428 2.325 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)OCC ZINC000054602652 519908053 /nfs/dbraw/zinc/90/80/53/519908053.db2.gz SVRKHXYBQJXTHX-GOOCMWNKSA-N 2 1 282.428 2.325 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(C)C1 ZINC000054628674 519908752 /nfs/dbraw/zinc/90/87/52/519908752.db2.gz VXAOKIDZLXILTA-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@H+](C)C1 ZINC000054628674 519908753 /nfs/dbraw/zinc/90/87/53/519908753.db2.gz VXAOKIDZLXILTA-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@@H+](C)C1 ZINC000054628674 519908757 /nfs/dbraw/zinc/90/87/57/519908757.db2.gz VXAOKIDZLXILTA-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)N1CC[NH+](CCC)CC1 ZINC000052421968 519913469 /nfs/dbraw/zinc/91/34/69/519913469.db2.gz VNNJOHTXLMLAIU-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCC[NH+]1CCN(CC(C)C)CC1 ZINC000055082951 519919168 /nfs/dbraw/zinc/91/91/68/519919168.db2.gz ZMNXRQVFXHNWII-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(CC(C)C)CC1 ZINC000055082914 519920390 /nfs/dbraw/zinc/92/03/90/519920390.db2.gz OQOJYQGGSIAUDJ-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](CCOC)[C@@H](C)COC)o1 ZINC000052572330 519946896 /nfs/dbraw/zinc/94/68/96/519946896.db2.gz DJMRWFNYUNLEFF-AWEZNQCLSA-N 2 1 298.427 2.263 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000053011760 519950950 /nfs/dbraw/zinc/95/09/50/519950950.db2.gz DTNLZRLJWFRBBZ-HOTGVXAUSA-N 3 1 269.477 2.428 10 0 CEAEMP CC[NH2+][C@@H](C)c1cnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000054909512 520079415 /nfs/dbraw/zinc/07/94/15/520079415.db2.gz ZEALKKLZJORNBP-NSHDSACASA-N 2 1 280.441 2.098 10 0 CEAEMP CC[N@@H+](CC(C)C)C[C@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052449907 520412721 /nfs/dbraw/zinc/41/27/21/520412721.db2.gz GJIGZWOOBAVXIE-HUUCEWRRSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[N@@H+](CC1CC1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000069262807 520957203 /nfs/dbraw/zinc/95/72/03/520957203.db2.gz AGAZXZNKXSSWAL-MRXNPFEDSA-N 2 1 266.429 2.267 10 0 CEAEMP CCC[C@H](C)C[N@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000051297758 521020631 /nfs/dbraw/zinc/02/06/31/521020631.db2.gz CUYSATAXYZELJJ-GJZGRUSLSA-N 2 1 255.450 2.025 10 0 CEAEMP CCC[C@]1(CN2CCC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000062943160 521315065 /nfs/dbraw/zinc/31/50/65/521315065.db2.gz SRKHFBSOZJIPPZ-SJORKVTESA-N 2 1 279.472 2.326 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553827 521626887 /nfs/dbraw/zinc/62/68/87/521626887.db2.gz XEOFHIGVKUYJAD-RRFJBIMHSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553827 521626893 /nfs/dbraw/zinc/62/68/93/521626893.db2.gz XEOFHIGVKUYJAD-RRFJBIMHSA-N 3 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000049553827 521626896 /nfs/dbraw/zinc/62/68/96/521626896.db2.gz XEOFHIGVKUYJAD-RRFJBIMHSA-N 3 1 255.450 2.037 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+]C3(CCCC3)C2)c1C ZINC000068693307 521811041 /nfs/dbraw/zinc/81/10/41/521811041.db2.gz DCDNHAPDOGWDIG-UHFFFAOYSA-N 2 1 289.423 2.425 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000052543419 522126555 /nfs/dbraw/zinc/12/65/55/522126555.db2.gz FGWNEYNGQFQBBS-CYBMUJFWSA-N 2 1 262.397 2.405 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@@H+](CCOC)CC(C)C)c1 ZINC000052508574 522134549 /nfs/dbraw/zinc/13/45/49/522134549.db2.gz ZEACZODBFFATRW-UHFFFAOYSA-N 2 1 294.439 2.389 10 0 CEAEMP C[NH2+][C@@H]1CCCc2nc(N3CC[NH+](C4CC4)CC3)sc21 ZINC000054909504 522389718 /nfs/dbraw/zinc/38/97/18/522389718.db2.gz DHUANLAFMOPPKQ-GFCCVEGCSA-N 2 1 292.452 2.024 10 0 CEAEMP COC[C@@H]1CC[N@@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000069375141 522476409 /nfs/dbraw/zinc/47/64/09/522476409.db2.gz ATOMNZQITOXQIB-PNESKVBLSA-N 2 1 294.361 2.405 10 0 CEAEMP COC[C@@H]1CC[N@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000069375141 522476419 /nfs/dbraw/zinc/47/64/19/522476419.db2.gz ATOMNZQITOXQIB-PNESKVBLSA-N 2 1 294.361 2.405 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1ccoc1C[NH2+]C(C)C ZINC000052511568 522594645 /nfs/dbraw/zinc/59/46/45/522594645.db2.gz WEVJOIAHGLOITN-LBPRGKRZSA-N 2 1 254.374 2.244 10 0 CEAEMP COCC[N@@H+](CC(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182455 523678600 /nfs/dbraw/zinc/67/86/00/523678600.db2.gz QOIHWFURLQVXIL-UHFFFAOYSA-N 2 1 298.471 2.140 10 0 CEAEMP COCC[NH2+]Cc1cc(F)ccc1-n1cc[nH+]c1C ZINC000062738608 523950141 /nfs/dbraw/zinc/95/01/41/523950141.db2.gz VGPIWJPXZZYXGH-UHFFFAOYSA-N 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VMONYTHLOBWNPE-ZDUSSCGKSA-N 2 1 255.450 2.179 10 0 CEAEMP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419960 524496966 /nfs/dbraw/zinc/49/69/66/524496966.db2.gz VMONYTHLOBWNPE-ZDUSSCGKSA-N 2 1 255.450 2.179 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccc(C(N)=[NH2+])cc1 ZINC000050565075 525640183 /nfs/dbraw/zinc/64/01/83/525640183.db2.gz KCJKQDDFUUQNAK-QWHCGFSZSA-N 2 1 275.396 2.470 10 0 CEAEMP Cc1cnc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@@H+](C(C)C)C3)cn1 ZINC000061320819 526037350 /nfs/dbraw/zinc/03/73/50/526037350.db2.gz YCDJSFAFTIJTMO-FKEKPDDDSA-N 2 1 288.439 2.384 10 0 CEAEMP Cc1cnc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@H+](C(C)C)C3)cn1 ZINC000061320819 526037360 /nfs/dbraw/zinc/03/73/60/526037360.db2.gz YCDJSFAFTIJTMO-FKEKPDDDSA-N 2 1 288.439 2.384 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055146368 526246693 /nfs/dbraw/zinc/24/66/93/526246693.db2.gz YBKKMXYEGKOOQH-FHERZECASA-N 2 1 295.471 2.132 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507446 526769271 /nfs/dbraw/zinc/76/92/71/526769271.db2.gz GYWKYNLULLUOIU-ZDUSSCGKSA-N 2 1 252.358 2.048 10 0 CEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1Cc2ccccc2O1 ZINC000054602190 527145950 /nfs/dbraw/zinc/14/59/50/527145950.db2.gz JPYVTYBXBIQSLM-UYTSQGDYSA-N 2 1 272.392 2.334 10 0 CEAEMP [NH3+]Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000061702260 527261238 /nfs/dbraw/zinc/26/12/38/527261238.db2.gz FNILCXPNZONLQO-INIZCTEOSA-N 2 1 283.375 2.194 10 0 CEAEMP [NH3+]C[C@]12CCC[C@H]1CN(c1cc[nH+]cc1Br)C2 ZINC000310272208 574802469 /nfs/dbraw/zinc/80/24/69/574802469.db2.gz TVZHPFOFNQZSPT-GWCFXTLKSA-N 2 1 296.212 2.409 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000399127900 628777343 /nfs/dbraw/zinc/77/73/43/628777343.db2.gz UIXRQRGFPZFSTE-KRWDZBQOSA-N 2 1 274.408 2.184 10 0 CEAEMP C[N@@H+](CCSC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000226468248 628905914 /nfs/dbraw/zinc/90/59/14/628905914.db2.gz AUUUQSRLEOTYIJ-VIFPVBQESA-N 2 1 256.337 2.313 10 0 CEAEMP C[N@H+](Cc1ccnc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669038 639870052 /nfs/dbraw/zinc/87/00/52/639870052.db2.gz LZNQVTVHYHJMMQ-GFCCVEGCSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1ccnc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669038 639870057 /nfs/dbraw/zinc/87/00/57/639870057.db2.gz LZNQVTVHYHJMMQ-GFCCVEGCSA-N 2 1 253.777 2.309 10 0 CEAEMP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399178798 539263851 /nfs/dbraw/zinc/26/38/51/539263851.db2.gz KSTXQPHMMIAZTE-HIFRSBDPSA-N 2 1 254.418 2.002 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000679577856 539330993 /nfs/dbraw/zinc/33/09/93/539330993.db2.gz WGZKVTWBDTZCTL-JKSUJKDBSA-N 2 1 266.429 2.002 10 0 CEAEMP Nc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000306869212 344718188 /nfs/dbraw/zinc/71/81/88/344718188.db2.gz SJFVJIQFLPAAKI-AWEZNQCLSA-N 2 1 268.364 2.350 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1Cc1ccncc1 ZINC000085623930 179106703 /nfs/dbraw/zinc/10/67/03/179106703.db2.gz KMSHHMCYDVKXNY-XJKSGUPXSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1Cc1ccncc1 ZINC000085623930 179106705 /nfs/dbraw/zinc/10/67/05/179106705.db2.gz KMSHHMCYDVKXNY-XJKSGUPXSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCC(F)(F)F ZINC000085626452 179106709 /nfs/dbraw/zinc/10/67/09/179106709.db2.gz WYTPFTUXWDDKNA-GXSJLCMTSA-N 2 1 250.308 2.401 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1CCC(F)(F)F ZINC000085626452 179106711 /nfs/dbraw/zinc/10/67/11/179106711.db2.gz WYTPFTUXWDDKNA-GXSJLCMTSA-N 2 1 250.308 2.401 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612229 179102438 /nfs/dbraw/zinc/10/24/38/179102438.db2.gz MGRLPYHPYMDQJZ-GFCCVEGCSA-N 2 1 282.350 2.419 10 0 CEAEMP c1ccc([C@H]2C[NH2+]CCN2[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000086177490 179247257 /nfs/dbraw/zinc/24/72/57/179247257.db2.gz SSXISZXOKFTWMI-KZNAEPCWSA-N 2 1 285.435 2.260 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171852 179243211 /nfs/dbraw/zinc/24/32/11/179243211.db2.gz JQFLXVCVTCLRTR-YVSFHVDLSA-N 2 1 281.488 2.283 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086146532 179239077 /nfs/dbraw/zinc/23/90/77/179239077.db2.gz BRTGOLDAYQMNII-INIZCTEOSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259621 179258144 /nfs/dbraw/zinc/25/81/44/179258144.db2.gz SXJTXNUDRFZLEH-ZTFGCOKTSA-N 2 1 291.483 2.466 10 0 CEAEMP CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261041 179260440 /nfs/dbraw/zinc/26/04/40/179260440.db2.gz FVQFTRMBCBGDCN-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261041 179260442 /nfs/dbraw/zinc/26/04/42/179260442.db2.gz FVQFTRMBCBGDCN-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289407 179264253 /nfs/dbraw/zinc/26/42/53/179264253.db2.gz KMASDZADOMHJQV-INIZCTEOSA-N 2 1 279.472 2.469 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@@](C)(CC)C2)CC1 ZINC000086291511 179265937 /nfs/dbraw/zinc/26/59/37/179265937.db2.gz NKXVEQJGQYOFIS-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@@](C)(CC)C2)CC1 ZINC000086291511 179265941 /nfs/dbraw/zinc/26/59/41/179265941.db2.gz NKXVEQJGQYOFIS-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@](C)(C3CC3)C2)CC1 ZINC000086291528 179266532 /nfs/dbraw/zinc/26/65/32/179266532.db2.gz FLTUFDBMNMYMCH-KRWDZBQOSA-N 2 1 279.472 2.182 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@](C)(C3CC3)C2)CC1 ZINC000086291528 179266533 /nfs/dbraw/zinc/26/65/33/179266533.db2.gz FLTUFDBMNMYMCH-KRWDZBQOSA-N 2 1 279.472 2.182 10 0 CEAEMP C1CCC([C@H]2C[N@H+]([C@@H]3CCCOC3)CCC[NH2+]2)CC1 ZINC000086297644 179267216 /nfs/dbraw/zinc/26/72/16/179267216.db2.gz AOJSTCXFGNVLOZ-HZPDHXFCSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1CCCNC(C)(C)C1 ZINC000086293329 179267443 /nfs/dbraw/zinc/26/74/43/179267443.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1CCCNC(C)(C)C1 ZINC000086293329 179267444 /nfs/dbraw/zinc/26/74/44/179267444.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1CCCNC(C)(C)C1 ZINC000086293329 179267446 /nfs/dbraw/zinc/26/74/46/179267446.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[N@H+](C)CCCCN1CCC[NH2+]C(C)(C)C1 ZINC000086293329 179267448 /nfs/dbraw/zinc/26/74/48/179267448.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1CCC[NH2+]C(C)(C)C1 ZINC000086293329 179267449 /nfs/dbraw/zinc/26/74/49/179267449.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC1(C)C[N@H+](C[C@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293829 179268173 /nfs/dbraw/zinc/26/81/73/179268173.db2.gz MZULBAXBEUTGPN-CQSZACIVSA-N 2 1 260.381 2.064 10 0 CEAEMP CC1(C)C[N@@H+](C[C@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293829 179268176 /nfs/dbraw/zinc/26/81/76/179268176.db2.gz MZULBAXBEUTGPN-CQSZACIVSA-N 2 1 260.381 2.064 10 0 CEAEMP C(C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1)OC1CCCC1 ZINC000086298017 179268519 /nfs/dbraw/zinc/26/85/19/179268519.db2.gz SNYULSVKNOAUDA-HNNXBMFYSA-N 2 1 252.402 2.020 10 0 CEAEMP C(C[N@H+]1CCC[NH2+][C@H](C2CC2)C1)OC1CCCC1 ZINC000086298017 179268522 /nfs/dbraw/zinc/26/85/22/179268522.db2.gz SNYULSVKNOAUDA-HNNXBMFYSA-N 2 1 252.402 2.020 10 0 CEAEMP CCC[C@@H](COC)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086299569 179268870 /nfs/dbraw/zinc/26/88/70/179268870.db2.gz JYGSKEDWZPQRFN-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP COCC[C@H](C)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086300103 179269113 /nfs/dbraw/zinc/26/91/13/179269113.db2.gz LDDZSZCNAWCYDK-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP CCOC(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086835987 179349864 /nfs/dbraw/zinc/34/98/64/179349864.db2.gz VWUSSMCUNBKLDG-CQSZACIVSA-N 2 1 297.443 2.071 10 0 CEAEMP CC[NH+](CC)CCCN[C@@H]1CCC[N@@H+](CC)CC1 ZINC000086835638 179350088 /nfs/dbraw/zinc/35/00/88/179350088.db2.gz PCJXORPSKOVZTC-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[N@H+](CC)CC1 ZINC000086835638 179350090 /nfs/dbraw/zinc/35/00/90/179350090.db2.gz PCJXORPSKOVZTC-OAHLLOKOSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[N@@H+](CC)CC1 ZINC000086835638 179350093 /nfs/dbraw/zinc/35/00/93/179350093.db2.gz PCJXORPSKOVZTC-OAHLLOKOSA-N 3 1 255.450 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H](Nc2c[nH+]ccc2N(C)C)CC1 ZINC000086837877 179351967 /nfs/dbraw/zinc/35/19/67/179351967.db2.gz MMPPJQPMWHLBTL-CYBMUJFWSA-N 2 1 262.401 2.434 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841711 179352853 /nfs/dbraw/zinc/35/28/53/179352853.db2.gz DEZJIIRRNVFFHY-JKSUJKDBSA-N 2 1 295.471 2.242 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841711 179352855 /nfs/dbraw/zinc/35/28/55/179352855.db2.gz DEZJIIRRNVFFHY-JKSUJKDBSA-N 2 1 295.471 2.242 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840946 179353815 /nfs/dbraw/zinc/35/38/15/179353815.db2.gz DFJOQBFREANEBY-INIZCTEOSA-N 2 1 261.413 2.477 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844677 179354807 /nfs/dbraw/zinc/35/48/07/179354807.db2.gz VKVDXKBLOOPHKX-HNNXBMFYSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844677 179354810 /nfs/dbraw/zinc/35/48/10/179354810.db2.gz VKVDXKBLOOPHKX-HNNXBMFYSA-N 2 1 277.412 2.444 10 0 CEAEMP CCCCN(CC)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846573 179354971 /nfs/dbraw/zinc/35/49/71/179354971.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844680 179355128 /nfs/dbraw/zinc/35/51/28/179355128.db2.gz VKVDXKBLOOPHKX-OAHLLOKOSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000086844680 179355131 /nfs/dbraw/zinc/35/51/31/179355131.db2.gz VKVDXKBLOOPHKX-OAHLLOKOSA-N 2 1 277.412 2.444 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086846630 179355545 /nfs/dbraw/zinc/35/55/45/179355545.db2.gz XMVKMSGMJPAGJJ-MRXNPFEDSA-N 2 1 267.461 2.456 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086846630 179355547 /nfs/dbraw/zinc/35/55/47/179355547.db2.gz XMVKMSGMJPAGJJ-MRXNPFEDSA-N 2 1 267.461 2.456 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+]2CCCCCCC2)CC1 ZINC000086846630 179355548 /nfs/dbraw/zinc/35/55/48/179355548.db2.gz XMVKMSGMJPAGJJ-MRXNPFEDSA-N 2 1 267.461 2.456 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851143 179359028 /nfs/dbraw/zinc/35/90/28/179359028.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851143 179359029 /nfs/dbraw/zinc/35/90/29/179359029.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 3 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851143 179359031 /nfs/dbraw/zinc/35/90/31/179359031.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 3 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851143 179359032 /nfs/dbraw/zinc/35/90/32/179359032.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 3 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851143 179359033 /nfs/dbraw/zinc/35/90/33/179359033.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 3 1 253.434 2.064 10 0 CEAEMP CC[N@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875227 179365665 /nfs/dbraw/zinc/36/56/65/179365665.db2.gz AJNVFGCCTJOCBD-AWEZNQCLSA-N 2 1 268.426 2.468 10 0 CEAEMP CC[N@@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875227 179365667 /nfs/dbraw/zinc/36/56/67/179365667.db2.gz AJNVFGCCTJOCBD-AWEZNQCLSA-N 2 1 268.426 2.468 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016212 179380824 /nfs/dbraw/zinc/38/08/24/179380824.db2.gz XZOFHNFAQGABAJ-ZIAGYGMSSA-N 2 1 254.418 2.002 10 0 CEAEMP CCC1CCC(O)(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000087053283 179388976 /nfs/dbraw/zinc/38/89/76/179388976.db2.gz YKKFUCWWKZVXCM-UHFFFAOYSA-N 2 1 254.418 2.002 10 0 CEAEMP Nc1cc(C[C@H]([NH3+])CSC2CCCC2)cc[nH+]1 ZINC000087144017 179397580 /nfs/dbraw/zinc/39/75/80/179397580.db2.gz XTNIORPYWOOVFA-NSHDSACASA-N 2 1 251.399 2.209 10 0 CEAEMP Nc1cc(C[C@@H]([NH3+])[C@H]2CCc3ccccc32)cc[nH+]1 ZINC000088030177 179537106 /nfs/dbraw/zinc/53/71/06/179537106.db2.gz IYUQDHCHNRPONU-LSDHHAIUSA-N 2 1 253.349 2.264 10 0 CEAEMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693623 180026406 /nfs/dbraw/zinc/02/64/06/180026406.db2.gz JRYMASDUPVIEKG-CHWSQXEVSA-N 2 1 294.361 2.419 10 0 CEAEMP C[N@H+](C[C@H]1Cc2ccccc2O1)C1(C[NH3+])CCCC1 ZINC000090874032 180050196 /nfs/dbraw/zinc/05/01/96/180050196.db2.gz UXLCSHCBVMJGAW-CQSZACIVSA-N 2 1 260.381 2.193 10 0 CEAEMP C[N@@H+](C[C@H]1Cc2ccccc2O1)C1(C[NH3+])CCCC1 ZINC000090874032 180050197 /nfs/dbraw/zinc/05/01/97/180050197.db2.gz UXLCSHCBVMJGAW-CQSZACIVSA-N 2 1 260.381 2.193 10 0 CEAEMP Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892241 180053804 /nfs/dbraw/zinc/05/38/04/180053804.db2.gz KCSIYWBTHYBXOO-MLGOLLRUSA-N 2 1 290.382 2.203 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+](CCC(N)=[NH2+])C1CC1)O2 ZINC000090898689 180058007 /nfs/dbraw/zinc/05/80/07/180058007.db2.gz NDUQHSQVSVCKLQ-CQSZACIVSA-N 2 1 273.380 2.089 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@@H+](CCC(N)=[NH2+])C1CC1)O2 ZINC000090898689 180058008 /nfs/dbraw/zinc/05/80/08/180058008.db2.gz NDUQHSQVSVCKLQ-CQSZACIVSA-N 2 1 273.380 2.089 10 0 CEAEMP C[NH2+][C@H](C)C(C)(C)C[N@@H+](CCO)C1CCCCC1 ZINC000091403845 180147590 /nfs/dbraw/zinc/14/75/90/180147590.db2.gz YFZINGGHMLPKJA-CYBMUJFWSA-N 2 1 256.434 2.248 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@](C)(CC)[NH+](C)C ZINC000091571370 180196676 /nfs/dbraw/zinc/19/66/76/180196676.db2.gz IHLZGLCXRLQODX-HOTGVXAUSA-N 2 1 280.460 2.462 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(C)nn1CC)C(C)(C)[NH+](C)C ZINC000091529096 180180646 /nfs/dbraw/zinc/18/06/46/180180646.db2.gz AUYITCUANRZQKD-AWEZNQCLSA-N 2 1 266.433 2.072 10 0 CEAEMP CC[NH2+][C@@H](Cc1ccncc1)C1([NH+](C)C)CCCC1 ZINC000091638183 180211960 /nfs/dbraw/zinc/21/19/60/180211960.db2.gz GJQOTNTVFLIVIS-HNNXBMFYSA-N 2 1 261.413 2.477 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C1(N(C)C)CCCCCC1 ZINC000091654427 180217445 /nfs/dbraw/zinc/21/74/45/180217445.db2.gz XSAOEHGFTGSASR-MRXNPFEDSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@H](CCC1CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722247 180239612 /nfs/dbraw/zinc/23/96/12/180239612.db2.gz JXNVHCOVQHKWSR-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](CCC1CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722247 180239618 /nfs/dbraw/zinc/23/96/18/180239618.db2.gz JXNVHCOVQHKWSR-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721477 180238454 /nfs/dbraw/zinc/23/84/54/180238454.db2.gz VKODIYHFPIQHKK-KURKYZTESA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721477 180238455 /nfs/dbraw/zinc/23/84/55/180238455.db2.gz VKODIYHFPIQHKK-KURKYZTESA-N 2 1 288.435 2.297 10 0 CEAEMP CCC[NH2+]Cc1cnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091722438 180240931 /nfs/dbraw/zinc/24/09/31/180240931.db2.gz GLNJQJNCIYGBEP-YPMHNXCESA-N 2 1 281.425 2.178 10 0 CEAEMP CCC[NH2+]Cc1cnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091722438 180240935 /nfs/dbraw/zinc/24/09/35/180240935.db2.gz GLNJQJNCIYGBEP-YPMHNXCESA-N 2 1 281.425 2.178 10 0 CEAEMP CC[NH2+]Cc1sc([C@H]2C[N@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723130 180241705 /nfs/dbraw/zinc/24/17/05/180241705.db2.gz PVILBYSFMCZIRY-VXGBXAGGSA-N 2 1 281.425 2.097 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091723183 180242373 /nfs/dbraw/zinc/24/23/73/180242373.db2.gz MLRXBCORFBBKAG-OCCSQVGLSA-N 2 1 295.452 2.424 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091723183 180242375 /nfs/dbraw/zinc/24/23/75/180242375.db2.gz MLRXBCORFBBKAG-OCCSQVGLSA-N 2 1 295.452 2.424 10 0 CEAEMP CCC[N@@H+](CC(=O)N1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091852271 180272759 /nfs/dbraw/zinc/27/27/59/180272759.db2.gz NJVATEUPCNHAKF-UHFFFAOYSA-N 2 1 295.471 2.371 10 0 CEAEMP CCC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C1CCC([NH3+])CC1 ZINC000091852456 180272890 /nfs/dbraw/zinc/27/28/90/180272890.db2.gz ZTTVMFNVLZKBEQ-FHERZECASA-N 2 1 295.471 2.227 10 0 CEAEMP CCCCNC(=O)[C@@H](C)[N@@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852525 180272977 /nfs/dbraw/zinc/27/29/77/180272977.db2.gz WHMSFHCFGQSDCB-WLYUNCDWSA-N 2 1 283.460 2.273 10 0 CEAEMP C[N@@H+](Cc1cn2ccccc2n1)C1CCC([NH3+])CC1 ZINC000091843985 180269149 /nfs/dbraw/zinc/26/91/49/180269149.db2.gz MHSGOKGJUITIKQ-UHFFFAOYSA-N 2 1 258.369 2.036 10 0 CEAEMP CC[C@H]1C[C@H]([N@@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871213 180276987 /nfs/dbraw/zinc/27/69/87/180276987.db2.gz YBAPTFZJTLQDPF-CVSAEHQPSA-N 2 1 254.418 2.406 10 0 CEAEMP CCn1cc([C@H](C)[N@@H+](C)C2CCC([NH2+]C)CC2)cn1 ZINC000091871094 180277250 /nfs/dbraw/zinc/27/72/50/180277250.db2.gz ZKZKEMJJXSRVJB-GRTSSRMGSA-N 2 1 264.417 2.426 10 0 CEAEMP CCn1nc(C)cc1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870696 180277545 /nfs/dbraw/zinc/27/75/45/180277545.db2.gz CSNSMHPNBBVYQZ-UHFFFAOYSA-N 2 1 264.417 2.174 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@H](O)COC(C)C)CC1 ZINC000091870054 180277569 /nfs/dbraw/zinc/27/75/69/180277569.db2.gz SRLYOFGENIWCTO-GPANFISMSA-N 2 1 286.460 2.015 10 0 CEAEMP C[N@H+]1CCC[C@@](O)(C2(C[NH3+])CCC(C)(C)CC2)CC1 ZINC000091922356 180286651 /nfs/dbraw/zinc/28/66/51/180286651.db2.gz NQIJZVIIGJEZOQ-INIZCTEOSA-N 2 1 268.445 2.379 10 0 CEAEMP CC[C@@H]([NH3+])c1ccc(OC[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000092050962 180312071 /nfs/dbraw/zinc/31/20/71/180312071.db2.gz KKLQBGXEBGMOQB-HZPDHXFCSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@@H]([NH3+])c1ccc(OC[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092050962 180312072 /nfs/dbraw/zinc/31/20/72/180312072.db2.gz KKLQBGXEBGMOQB-HZPDHXFCSA-N 2 1 278.396 2.196 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000092003294 180304203 /nfs/dbraw/zinc/30/42/03/180304203.db2.gz ZPCSOMHXKZOWCL-CVEARBPZSA-N 2 1 288.439 2.253 10 0 CEAEMP C[C@@H](C[N@@H+](C)C[C@@H]1CSc2ccccc21)C(N)=[NH2+] ZINC000092288225 180357884 /nfs/dbraw/zinc/35/78/84/180357884.db2.gz MUQALRVYPBDTAX-WDEREUQCSA-N 2 1 263.410 2.380 10 0 CEAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300441 180358719 /nfs/dbraw/zinc/35/87/19/180358719.db2.gz IFNOLZONIXLSMA-ZIAGYGMSSA-N 2 1 260.381 2.094 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000092325815 180362847 /nfs/dbraw/zinc/36/28/47/180362847.db2.gz VAYMAUSNANZSLS-HNNXBMFYSA-N 2 1 278.444 2.389 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000092325815 180362849 /nfs/dbraw/zinc/36/28/49/180362849.db2.gz VAYMAUSNANZSLS-HNNXBMFYSA-N 2 1 278.444 2.389 10 0 CEAEMP Cc1cc(NC[C@H]2C[N@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000108945682 186237472 /nfs/dbraw/zinc/23/74/72/186237472.db2.gz JYPYIIHMWONLJS-ZDUSSCGKSA-N 2 1 271.364 2.286 10 0 CEAEMP Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)c2ccccc2[nH+]1 ZINC000108945682 186237474 /nfs/dbraw/zinc/23/74/74/186237474.db2.gz JYPYIIHMWONLJS-ZDUSSCGKSA-N 2 1 271.364 2.286 10 0 CEAEMP Cc1ccc(F)cc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110649848 186310298 /nfs/dbraw/zinc/31/02/98/186310298.db2.gz XVPCGNHEEGDFAF-LBPRGKRZSA-N 2 1 293.386 2.132 10 0 CEAEMP C[N@H+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1(C)C ZINC000110706357 186314539 /nfs/dbraw/zinc/31/45/39/186314539.db2.gz XMVNBSJDQZCCIU-HNNXBMFYSA-N 2 1 261.413 2.103 10 0 CEAEMP CN1CC[N@@H+]([C@@H](CC[NH3+])c2ccccc2)CC1(C)C ZINC000110706357 186314541 /nfs/dbraw/zinc/31/45/41/186314541.db2.gz XMVNBSJDQZCCIU-HNNXBMFYSA-N 2 1 261.413 2.103 10 0 CEAEMP CN1CC[N@H+]([C@@H](CC[NH3+])c2ccccc2)CC1(C)C ZINC000110706357 186314543 /nfs/dbraw/zinc/31/45/43/186314543.db2.gz XMVNBSJDQZCCIU-HNNXBMFYSA-N 2 1 261.413 2.103 10 0 CEAEMP CC[NH2+][C@H](CN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110716875 186315429 /nfs/dbraw/zinc/31/54/29/186315429.db2.gz DBTWQDZYGXFPKY-MRXNPFEDSA-N 2 1 275.440 2.363 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717140 186315699 /nfs/dbraw/zinc/31/56/99/186315699.db2.gz IMFONBICKLPSAG-ZBFHGGJFSA-N 2 1 275.440 2.362 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000110717067 186316287 /nfs/dbraw/zinc/31/62/87/186316287.db2.gz CKJCTASMAQRUQQ-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H](C)CCCCN1CC[N@H+](C)C(C)(C)C1 ZINC000110717067 186316289 /nfs/dbraw/zinc/31/62/89/186316289.db2.gz CKJCTASMAQRUQQ-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H](C)CCCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110717067 186316290 /nfs/dbraw/zinc/31/62/90/186316290.db2.gz CKJCTASMAQRUQQ-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000110717090 186316674 /nfs/dbraw/zinc/31/66/74/186316674.db2.gz UZVGRIGUUHJOEY-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH2+][C@H](CN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1C ZINC000110716731 186316689 /nfs/dbraw/zinc/31/66/89/186316689.db2.gz YHJSDGTWLLLOBG-MRXNPFEDSA-N 2 1 275.440 2.282 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C)C[NH2+]C2CCCCC2)C[C@@H]1C ZINC000110756570 186322074 /nfs/dbraw/zinc/32/20/74/186322074.db2.gz WYGQCYVYJOIDPI-GJZGRUSLSA-N 2 1 267.461 2.323 10 0 CEAEMP Cc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1C[NH2+]C1CC1 ZINC000110760376 186322990 /nfs/dbraw/zinc/32/29/90/186322990.db2.gz QKTPBOFYGYDQBQ-UHFFFAOYSA-N 2 1 294.468 2.234 10 0 CEAEMP C[N@@H+](CC1CCOCC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157520 186362638 /nfs/dbraw/zinc/36/26/38/186362638.db2.gz RDQVWDCELNBXDC-HUUCEWRRSA-N 2 1 254.418 2.252 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160594 186362699 /nfs/dbraw/zinc/36/26/99/186362699.db2.gz FAJKZQIXTNLWJM-ZNMIVQPWSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160594 186362701 /nfs/dbraw/zinc/36/27/01/186362701.db2.gz FAJKZQIXTNLWJM-ZNMIVQPWSA-N 2 1 254.418 2.266 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1cc(C[NH2+]C)oc1C ZINC000111124110 186355345 /nfs/dbraw/zinc/35/53/45/186355345.db2.gz RJRBIJZKNKTICL-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC000111150208 186360255 /nfs/dbraw/zinc/36/02/55/186360255.db2.gz ILTJHXDYUZOGRW-OAHLLOKOSA-N 3 1 257.466 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)CCCN(C)C ZINC000111150208 186360257 /nfs/dbraw/zinc/36/02/57/186360257.db2.gz ILTJHXDYUZOGRW-OAHLLOKOSA-N 2 1 257.466 2.284 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)CCCN(C)C ZINC000111150208 186360259 /nfs/dbraw/zinc/36/02/59/186360259.db2.gz ILTJHXDYUZOGRW-OAHLLOKOSA-N 2 1 257.466 2.284 10 0 CEAEMP CC(C)[NH2+]C[C@]1(C[N@@H+](C)CC2CC2)CCCOC1 ZINC000111326080 186398284 /nfs/dbraw/zinc/39/82/84/186398284.db2.gz LSSHTCYQQCGZAC-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)C[NH2+]C[C@@]1(C[N@@H+](C)C[C@@H]2CCCO2)CCCOC1 ZINC000111327148 186398500 /nfs/dbraw/zinc/39/85/00/186398500.db2.gz GEUDSXYFFLOFEZ-DLBZAZTESA-N 2 1 298.471 2.140 10 0 CEAEMP Clc1ccc2c(NC[C@@H]3C[NH2+]CCO3)cc[nH+]c2c1 ZINC000134271011 366305896 /nfs/dbraw/zinc/30/58/96/366305896.db2.gz OZWMPNSCGPGQPS-NSHDSACASA-N 2 1 277.755 2.289 10 0 CEAEMP CCC(CC)[C@@H](C[NH2+]C1CCC([NH3+])CC1)[NH+](C)C ZINC000094075613 364251186 /nfs/dbraw/zinc/25/11/86/364251186.db2.gz KQDQGMYNDWBYHL-YMAMQOFZSA-N 3 1 255.450 2.212 10 0 CEAEMP Cc1ccccc1[C@@]1(O)CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000244701010 370796353 /nfs/dbraw/zinc/79/63/53/370796353.db2.gz JYGUUWUKSVSUEJ-SOLBZPMBSA-N 2 1 288.435 2.406 10 0 CEAEMP C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000583622093 367073146 /nfs/dbraw/zinc/07/31/46/367073146.db2.gz LDFFPGRKPHMCHM-CQSZACIVSA-N 2 1 295.390 2.454 10 0 CEAEMP C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000583622093 367073152 /nfs/dbraw/zinc/07/31/52/367073152.db2.gz LDFFPGRKPHMCHM-CQSZACIVSA-N 2 1 295.390 2.454 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000181655614 368479868 /nfs/dbraw/zinc/47/98/68/368479868.db2.gz DSZUWTVPDGRCLD-RRFJBIMHSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000181655614 368479874 /nfs/dbraw/zinc/47/98/74/368479874.db2.gz DSZUWTVPDGRCLD-RRFJBIMHSA-N 2 1 254.418 2.121 10 0 CEAEMP c1ccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)nc1 ZINC000189367327 369505541 /nfs/dbraw/zinc/50/55/41/369505541.db2.gz MOZRBIJPLIFISN-GJZGRUSLSA-N 2 1 275.396 2.385 10 0 CEAEMP [NH3+]C1(CNc2cc[nH+]cc2Br)CCC1 ZINC000236193578 370585781 /nfs/dbraw/zinc/58/57/81/370585781.db2.gz CRCVFAGSGSPKOE-UHFFFAOYSA-N 2 1 256.147 2.137 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000247480868 371114159 /nfs/dbraw/zinc/11/41/59/371114159.db2.gz SQTNRICLTRVFLI-UKRRQHHQSA-N 2 1 289.423 2.376 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000247480868 371114165 /nfs/dbraw/zinc/11/41/65/371114165.db2.gz SQTNRICLTRVFLI-UKRRQHHQSA-N 2 1 289.423 2.376 10 0 CEAEMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000261607354 371674313 /nfs/dbraw/zinc/67/43/13/371674313.db2.gz DCKGPSZENLFASX-NWANDNLSSA-N 2 1 290.407 2.181 10 0 CEAEMP Fc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(F)c1 ZINC000261882711 371760755 /nfs/dbraw/zinc/76/07/55/371760755.db2.gz FNRFMISZRVNKRK-FVQBIDKESA-N 2 1 296.361 2.212 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC1 ZINC000268889926 372274779 /nfs/dbraw/zinc/27/47/79/372274779.db2.gz ABEFMKGWYKJISY-HYVNUMGLSA-N 2 1 274.408 2.276 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC1 ZINC000268889926 372274787 /nfs/dbraw/zinc/27/47/87/372274787.db2.gz ABEFMKGWYKJISY-HYVNUMGLSA-N 2 1 274.408 2.276 10 0 CEAEMP CC1([NH3+])CCN(c2cc[nH+]cc2Br)CC1 ZINC000643028252 372918305 /nfs/dbraw/zinc/91/83/05/372918305.db2.gz CFWGDWAMJAIDAS-UHFFFAOYSA-N 2 1 270.174 2.162 10 0 CEAEMP Cc1ccc(C)c([C@@H](C[NH3+])N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000094438744 184798943 /nfs/dbraw/zinc/79/89/43/184798943.db2.gz SWWDQKMDGUOKHS-SJLPKXTDSA-N 2 1 287.451 2.473 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@H+](C)CC1CC[NH2+]CC1)O2 ZINC000094024474 184751135 /nfs/dbraw/zinc/75/11/35/184751135.db2.gz FTJZKVGCXWWKTH-INIZCTEOSA-N 2 1 274.408 2.230 10 0 CEAEMP C[NH2+][C@H](C)c1ccnc(OC[C@@H]2CCCC[N@H+]2C)c1 ZINC000095002105 184913530 /nfs/dbraw/zinc/91/35/30/184913530.db2.gz UOTXMSWCGSTMKR-OCCSQVGLSA-N 2 1 263.385 2.225 10 0 CEAEMP CCC[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000093068416 135079101 /nfs/dbraw/zinc/07/91/01/135079101.db2.gz GMYGNXGAXCRMJE-JKSUJKDBSA-N 2 1 290.455 2.228 10 0 CEAEMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261794318 394607472 /nfs/dbraw/zinc/60/74/72/394607472.db2.gz GIQADEPUMOIGKV-AWEZNQCLSA-N 2 1 274.408 2.095 10 0 CEAEMP C[C@@H]1C[N@H+]([C@H]2CCCc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000382434052 395182009 /nfs/dbraw/zinc/18/20/09/395182009.db2.gz MPNZLIDQMXPDCO-IVMMDQJWSA-N 2 1 259.397 2.376 10 0 CEAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCOC2)cc1 ZINC000399636573 400565097 /nfs/dbraw/zinc/56/50/97/400565097.db2.gz WYPIWFOSRVRTLT-XNHLSEOASA-N 2 1 286.419 2.133 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCOC2)cc1 ZINC000399636573 400565104 /nfs/dbraw/zinc/56/51/04/400565104.db2.gz WYPIWFOSRVRTLT-XNHLSEOASA-N 2 1 286.419 2.133 10 0 CEAEMP c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261882697 296639171 /nfs/dbraw/zinc/63/91/71/296639171.db2.gz FNLIPDBSCRCKDT-RBSFLKMASA-N 2 1 280.437 2.037 10 0 CEAEMP CCCCOC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000195178377 153276411 /nfs/dbraw/zinc/27/64/11/153276411.db2.gz LXDMCDGOSQYJHO-DLBZAZTESA-N 2 1 298.471 2.114 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000020260529 171116754 /nfs/dbraw/zinc/11/67/54/171116754.db2.gz LFZWFZJYTMTLHW-GDBMZVCRSA-N 2 1 261.413 2.021 10 0 CEAEMP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020365735 171164247 /nfs/dbraw/zinc/16/42/47/171164247.db2.gz YJCNPWMGJHMQQF-KGLIPLIRSA-N 2 1 271.449 2.001 10 0 CEAEMP C[N@@H+](C[C@H](C[NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000035731478 172381222 /nfs/dbraw/zinc/38/12/22/172381222.db2.gz JISJBMFNFSLKLD-UONOGXRCSA-N 2 1 250.411 2.166 10 0 CEAEMP C[C@H]1CCC[N@@H+](CCOc2ccc(CC[NH3+])cc2)C1 ZINC000037049857 172917190 /nfs/dbraw/zinc/91/71/90/172917190.db2.gz XBJDIYRMCKQPAX-AWEZNQCLSA-N 2 1 262.397 2.299 10 0 CEAEMP CC[NH+](CC)CCN[C@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000037209806 173031241 /nfs/dbraw/zinc/03/12/41/173031241.db2.gz SOMSMUVYAVPKIB-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)NCC(C)(C)[NH+](C)C)C1 ZINC000037220647 173039069 /nfs/dbraw/zinc/03/90/69/173039069.db2.gz KHXZLXPDXNZXOP-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)N(C)C)C1 ZINC000037220647 173039072 /nfs/dbraw/zinc/03/90/72/173039072.db2.gz KHXZLXPDXNZXOP-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)N(C)C)C1 ZINC000037220647 173039073 /nfs/dbraw/zinc/03/90/73/173039073.db2.gz KHXZLXPDXNZXOP-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)COCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037221366 173040028 /nfs/dbraw/zinc/04/00/28/173040028.db2.gz IXFAWWLAIWCWDW-CABCVRRESA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]C[C@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000040593247 174347645 /nfs/dbraw/zinc/34/76/45/174347645.db2.gz AHYGJVYECRLXFY-QZTJIDSGSA-N 2 1 287.451 2.192 10 0 CEAEMP COC(=O)CCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669224 174368127 /nfs/dbraw/zinc/36/81/27/174368127.db2.gz DZQKXNUTBWKNDQ-UKRRQHHQSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[N@@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748448 174393312 /nfs/dbraw/zinc/39/33/12/174393312.db2.gz XEJHMCJRXZNOSN-XYPWUTKMSA-N 2 1 259.397 2.229 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1cccn1 ZINC000040769249 174399467 /nfs/dbraw/zinc/39/94/67/174399467.db2.gz HNEOYXIAEFALOJ-PMRDEQMMSA-N 2 1 290.455 2.370 10 0 CEAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1cccn1 ZINC000040769249 174399468 /nfs/dbraw/zinc/39/94/68/174399468.db2.gz HNEOYXIAEFALOJ-PMRDEQMMSA-N 2 1 290.455 2.370 10 0 CEAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000050953916 414747940 /nfs/dbraw/zinc/74/79/40/414747940.db2.gz IEFXGTQNGPUAPD-CVEARBPZSA-N 2 1 266.429 2.410 10 0 CEAEMP CCCC[N@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817141 175112391 /nfs/dbraw/zinc/11/23/91/175112391.db2.gz RKOJYNNOUPAUPX-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CCCC[N@@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817141 175112393 /nfs/dbraw/zinc/11/23/93/175112393.db2.gz RKOJYNNOUPAUPX-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887772 175117481 /nfs/dbraw/zinc/11/74/81/175117481.db2.gz XSWPFCQTSMKOLD-KKUMJFAQSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887772 175117482 /nfs/dbraw/zinc/11/74/82/175117482.db2.gz XSWPFCQTSMKOLD-KKUMJFAQSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](CC)C1CCCC1 ZINC000043890909 175118012 /nfs/dbraw/zinc/11/80/12/175118012.db2.gz BDXARPUKCXZVIC-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](CC)C1CCCC1 ZINC000043890909 175118013 /nfs/dbraw/zinc/11/80/13/175118013.db2.gz BDXARPUKCXZVIC-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](CCC)CC1CC1 ZINC000043967502 175128268 /nfs/dbraw/zinc/12/82/68/175128268.db2.gz MAMUOBUECJCCQP-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CCC)CC1CC1 ZINC000043967502 175128269 /nfs/dbraw/zinc/12/82/69/175128269.db2.gz MAMUOBUECJCCQP-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+](C)CC(C)(C)C ZINC000045068614 175300603 /nfs/dbraw/zinc/30/06/03/175300603.db2.gz HKJFRMVZOQQOMN-LBPRGKRZSA-N 2 1 277.412 2.450 10 0 CEAEMP C[C@H](Cn1c(N)[nH+]c2cc(Br)ccc21)[NH+](C)C ZINC000045108626 175308640 /nfs/dbraw/zinc/30/86/40/175308640.db2.gz WEDQQVXPCLGKLJ-MRVPVSSYSA-N 2 1 297.200 2.331 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000045172568 175321438 /nfs/dbraw/zinc/32/14/38/175321438.db2.gz MAEXBJMECXHDKF-WDEREUQCSA-N 2 1 252.406 2.028 10 0 CEAEMP CCCN[C@](C)(CC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045224162 175331952 /nfs/dbraw/zinc/33/19/52/175331952.db2.gz HDMYKAAPRYKBRP-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045224162 175331953 /nfs/dbraw/zinc/33/19/53/175331953.db2.gz HDMYKAAPRYKBRP-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045224162 175331954 /nfs/dbraw/zinc/33/19/54/175331954.db2.gz HDMYKAAPRYKBRP-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280618 175350068 /nfs/dbraw/zinc/35/00/68/175350068.db2.gz MVQLTBZTRXEOIF-XUJLQICISA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280618 175350069 /nfs/dbraw/zinc/35/00/69/175350069.db2.gz MVQLTBZTRXEOIF-XUJLQICISA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376089 175366255 /nfs/dbraw/zinc/36/62/55/175366255.db2.gz YTPHYERTANZQPR-HOCLYGCPSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH+](CCC)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045378609 175367794 /nfs/dbraw/zinc/36/77/94/175367794.db2.gz YVMHVDVHHNELGA-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379743 175369291 /nfs/dbraw/zinc/36/92/91/175369291.db2.gz DKTOJYOQXFPMLA-LZWOXQAQSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(N)=O ZINC000045381313 175370185 /nfs/dbraw/zinc/37/01/85/175370185.db2.gz NCDSJSYXQRVXCO-DZGCQCFKSA-N 2 1 271.449 2.131 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](CC)CC(C)C ZINC000045381786 175370329 /nfs/dbraw/zinc/37/03/29/175370329.db2.gz DHFMRZSNOBMVME-AWEZNQCLSA-N 2 1 258.406 2.025 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)CC)[NH2+]C(C)C ZINC000045382753 175371445 /nfs/dbraw/zinc/37/14/45/175371445.db2.gz UBOQWWYJUVVCTD-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)CC)[NH2+]C(C)C ZINC000045382753 175371447 /nfs/dbraw/zinc/37/14/47/175371447.db2.gz UBOQWWYJUVVCTD-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCC[C@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385968 175372193 /nfs/dbraw/zinc/37/21/93/175372193.db2.gz FONZBPXEFGHTDN-AWEZNQCLSA-N 2 1 258.406 2.168 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386370 175373055 /nfs/dbraw/zinc/37/30/55/175373055.db2.gz IJJYFKWIMPIOMR-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OC ZINC000045386370 175373057 /nfs/dbraw/zinc/37/30/57/175373057.db2.gz IJJYFKWIMPIOMR-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@H+](CC)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045387063 175373266 /nfs/dbraw/zinc/37/32/66/175373266.db2.gz UBWQHLNVQYRAAU-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045387063 175373267 /nfs/dbraw/zinc/37/32/67/175373267.db2.gz UBWQHLNVQYRAAU-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC(CC)[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045391414 175374533 /nfs/dbraw/zinc/37/45/33/175374533.db2.gz OVNOVQSWVZNVBN-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(CC)[N@@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045391414 175374535 /nfs/dbraw/zinc/37/45/35/175374535.db2.gz OVNOVQSWVZNVBN-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC(CC)[N@H+](C)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045391574 175374885 /nfs/dbraw/zinc/37/48/85/175374885.db2.gz RRWSXNZSSQGSFE-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC(CC)[N@@H+](C)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045391574 175374887 /nfs/dbraw/zinc/37/48/87/175374887.db2.gz RRWSXNZSSQGSFE-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP C[C@@H]1CCC[C@H]([N@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147418 176043075 /nfs/dbraw/zinc/04/30/75/176043075.db2.gz MALFUXHMXQYHQQ-CVEARBPZSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071162241 176046119 /nfs/dbraw/zinc/04/61/19/176046119.db2.gz RTFZFIGXCBZJJC-BZUAXINKSA-N 2 1 267.461 2.168 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)c(N)c1)C[C@H]1CC[NH+](C)C1 ZINC000071187768 176061411 /nfs/dbraw/zinc/06/14/11/176061411.db2.gz KXPKTRJAFRQDTH-LBPRGKRZSA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)c(N)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071187768 176061412 /nfs/dbraw/zinc/06/14/12/176061412.db2.gz KXPKTRJAFRQDTH-LBPRGKRZSA-N 2 1 267.804 2.306 10 0 CEAEMP C[NH+](Cc1ccc(Cl)c(N)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071187768 176061413 /nfs/dbraw/zinc/06/14/13/176061413.db2.gz KXPKTRJAFRQDTH-LBPRGKRZSA-N 2 1 267.804 2.306 10 0 CEAEMP Cc1cccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1C ZINC000071188430 176063128 /nfs/dbraw/zinc/06/31/28/176063128.db2.gz MWLUYAKDNBMNMY-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP CC[C@@H]([C@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188684 176063734 /nfs/dbraw/zinc/06/37/34/176063734.db2.gz QMWPGRRIVZPOFM-HYVNUMGLSA-N 2 1 275.440 2.349 10 0 CEAEMP C[NH2+][C@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189411 176064590 /nfs/dbraw/zinc/06/45/90/176064590.db2.gz ASKQZJFWKYOIFH-CHWSQXEVSA-N 2 1 279.403 2.494 10 0 CEAEMP CCC(CC)(C[NH2+]C1CC1)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191445 176070304 /nfs/dbraw/zinc/07/03/04/176070304.db2.gz KTUVWURFDOGBNH-HNNXBMFYSA-N 2 1 281.488 2.428 10 0 CEAEMP C[NH2+]CC1(CN(C)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191450 176070346 /nfs/dbraw/zinc/07/03/46/176070346.db2.gz PTXGVNJBEALEPL-OAHLLOKOSA-N 2 1 267.461 2.040 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191395 176070828 /nfs/dbraw/zinc/07/08/28/176070828.db2.gz JBMZUBNTWXKQOX-OAGGEKHMSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC[NH2+]Cc1nc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000071192012 176071305 /nfs/dbraw/zinc/07/13/05/176071305.db2.gz JQXBTXHAGYLAGG-CYBMUJFWSA-N 2 1 296.484 2.026 10 0 CEAEMP Cc1ccccc1NCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192361 176073236 /nfs/dbraw/zinc/07/32/36/176073236.db2.gz WMAQCDQDBCDAGL-HNNXBMFYSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccccc1NCC[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071192361 176073238 /nfs/dbraw/zinc/07/32/38/176073238.db2.gz WMAQCDQDBCDAGL-HNNXBMFYSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccccc1NCC[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192361 176073240 /nfs/dbraw/zinc/07/32/40/176073240.db2.gz WMAQCDQDBCDAGL-HNNXBMFYSA-N 2 1 261.413 2.290 10 0 CEAEMP CC[NH2+]C[C@@H](c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192096 176073474 /nfs/dbraw/zinc/07/34/74/176073474.db2.gz GIPKEJGBDNNJDM-WBVHZDCISA-N 2 1 275.440 2.221 10 0 CEAEMP Cc1ccc(NCC[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071192434 176073670 /nfs/dbraw/zinc/07/36/70/176073670.db2.gz FSMWQPRLAIRZOA-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccc(NCC[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071192434 176073672 /nfs/dbraw/zinc/07/36/72/176073672.db2.gz FSMWQPRLAIRZOA-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP Cc1ccc(NCC[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071192434 176073674 /nfs/dbraw/zinc/07/36/74/176073674.db2.gz FSMWQPRLAIRZOA-OAHLLOKOSA-N 2 1 261.413 2.290 10 0 CEAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1ccc(Cl)cc1 ZINC000071229131 176091230 /nfs/dbraw/zinc/09/12/30/176091230.db2.gz YYGWURZDLLGAFQ-UHFFFAOYSA-N 2 1 269.776 2.114 10 0 CEAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccc(Cl)cc1 ZINC000071229131 176091231 /nfs/dbraw/zinc/09/12/31/176091231.db2.gz YYGWURZDLLGAFQ-UHFFFAOYSA-N 2 1 269.776 2.114 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000071289078 176110266 /nfs/dbraw/zinc/11/02/66/176110266.db2.gz YSQMZGDFWYNFEI-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[C@@]1(C(=O)NCC[N@@H+](C)C2CCCC2)CCC[NH2+]C1 ZINC000071378501 176142663 /nfs/dbraw/zinc/14/26/63/176142663.db2.gz OCMHIBFOGADDCW-QGZVFWFLSA-N 2 1 295.471 2.147 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071377486 176142853 /nfs/dbraw/zinc/14/28/53/176142853.db2.gz CLQLRJKTISVMSB-MRXNPFEDSA-N 2 1 281.488 2.428 10 0 CEAEMP C[N@@H+](CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2)C1CCCC1 ZINC000071379314 176143747 /nfs/dbraw/zinc/14/37/47/176143747.db2.gz RWQJSZAYQKDKOJ-VHRNVKJDSA-N 2 1 265.445 2.205 10 0 CEAEMP O[C@]1(C[NH2+]C2c3ccccc3-c3ccccc32)CC[NH2+]C1 ZINC000077353738 177255788 /nfs/dbraw/zinc/25/57/88/177255788.db2.gz HEDZJHGUBFZLRU-GOSISDBHSA-N 2 1 280.371 2.070 10 0 CEAEMP C[C@@H]1CCN(c2cc[nH+]cc2Br)[C@H](C[NH3+])C1 ZINC000261532979 287605329 /nfs/dbraw/zinc/60/53/29/287605329.db2.gz FFOQUDGIMWXKTA-ZJUUUORDSA-N 2 1 284.201 2.408 10 0 CEAEMP Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261991391 281343779 /nfs/dbraw/zinc/34/37/79/281343779.db2.gz STKARNUDEDGPQL-BRWVUGGUSA-N 2 1 274.408 2.242 10 0 CEAEMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000384304220 321851534 /nfs/dbraw/zinc/85/15/34/321851534.db2.gz ZYRHTKVAIXIKER-JHJVBQTASA-N 2 1 280.441 2.247 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1CCC)C(N)=O ZINC000068650276 520046502 /nfs/dbraw/zinc/04/65/02/520046502.db2.gz IMGZJMFRWRSWGI-WFASDCNBSA-N 2 1 280.416 2.030 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000062740909 520307487 /nfs/dbraw/zinc/30/74/87/520307487.db2.gz LVUBDVOZTPOBOI-MRXNPFEDSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[N@@H+](CCC[C@H]1CCCC[NH2+]1)C[C@@H]1CCCO1 ZINC000050953285 521043663 /nfs/dbraw/zinc/04/36/63/521043663.db2.gz KUEDGQYLUKOEMJ-CABCVRRESA-N 2 1 254.418 2.410 10 0 CEAEMP CC[N@H+](Cc1cccs1)Cc1cc[nH+]c(NN)c1 ZINC000052721287 521410564 /nfs/dbraw/zinc/41/05/64/521410564.db2.gz RVIMFLQGMZEKDA-UHFFFAOYSA-N 2 1 262.382 2.451 10 0 CEAEMP CC[N@@H+](Cc1cccs1)Cc1cc[nH+]c(NN)c1 ZINC000052721287 521410570 /nfs/dbraw/zinc/41/05/70/521410570.db2.gz RVIMFLQGMZEKDA-UHFFFAOYSA-N 2 1 262.382 2.451 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c(C)o1 ZINC000052540361 522106932 /nfs/dbraw/zinc/10/69/32/522106932.db2.gz YSZQNWXSWIYEHQ-GJZGRUSLSA-N 2 1 264.369 2.061 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c(C)o1 ZINC000052540361 522106938 /nfs/dbraw/zinc/10/69/38/522106938.db2.gz YSZQNWXSWIYEHQ-GJZGRUSLSA-N 2 1 264.369 2.061 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)CCc1ccncc1 ZINC000052483072 522140790 /nfs/dbraw/zinc/14/07/90/522140790.db2.gz CZWCFSVPRUMQNW-UHFFFAOYSA-N 2 1 259.353 2.069 10 0 CEAEMP C(C[C@@H]1CCC[NH2+]1)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052764676 518396254 /nfs/dbraw/zinc/39/62/54/518396254.db2.gz MQELXXMDMGYGRL-SOUVJXGZSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)(C)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000050953237 518711585 /nfs/dbraw/zinc/71/15/85/518711585.db2.gz ZHKFNBQJORQLRQ-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CCc2ccccn2)O1 ZINC000052423974 519723891 /nfs/dbraw/zinc/72/38/91/519723891.db2.gz AZTUILDTVROBRO-DLBZAZTESA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478890 519725296 /nfs/dbraw/zinc/72/52/96/519725296.db2.gz XKBQPXJAYNDKAS-CVEARBPZSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711767 519742792 /nfs/dbraw/zinc/74/27/92/519742792.db2.gz RNMJZCUNWVGZRU-HNNXBMFYSA-N 2 1 268.445 2.249 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](CC)C[C@H]2CCCO2)CCOCC1 ZINC000052182541 519910344 /nfs/dbraw/zinc/91/03/44/519910344.db2.gz WTMWGLWVPNTMEK-MRXNPFEDSA-N 2 1 298.471 2.284 10 0 CEAEMP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417294 519942922 /nfs/dbraw/zinc/94/29/22/519942922.db2.gz GBAPKVXFNSPHJJ-OAHLLOKOSA-N 2 1 261.413 2.054 10 0 CEAEMP CCC[NH2+]Cc1sc(N2CCC[N@@H+](C)CC2)nc1C ZINC000054968949 519975357 /nfs/dbraw/zinc/97/53/57/519975357.db2.gz IQGRMTCVSBKALD-UHFFFAOYSA-N 2 1 282.457 2.093 10 0 CEAEMP CC[NH2+]C[C@H]1CCN(CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000053011492 519975526 /nfs/dbraw/zinc/97/55/26/519975526.db2.gz FJVKLBFPKBOHHG-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH2+][C@@H](C)c1cnc(N2CCC[N@@H+](C)CC2)s1 ZINC000054899137 519991465 /nfs/dbraw/zinc/99/14/65/519991465.db2.gz MJQQCFXUKWRGKU-LBPRGKRZSA-N 2 1 282.457 2.346 10 0 CEAEMP CC[NH2+]Cc1ccc(C[NH+]2CCN(C3CC3)CC2)cc1 ZINC000052371380 519995185 /nfs/dbraw/zinc/99/51/85/519995185.db2.gz MNWAHVKRDGXBTI-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCCC[C@@H]1CCO ZINC000053863740 520094580 /nfs/dbraw/zinc/09/45/80/520094580.db2.gz WBLATYKJEVEOLM-XHSDSOJGSA-N 2 1 268.445 2.392 10 0 CEAEMP CC[NH2+][C@@H](C[N@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069074546 520096749 /nfs/dbraw/zinc/09/67/49/520096749.db2.gz PWBLPGOCECIZBB-WFASDCNBSA-N 2 1 254.418 2.121 10 0 CEAEMP CC[NH2+][C@@H](C[N@@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069074546 520096753 /nfs/dbraw/zinc/09/67/53/520096753.db2.gz PWBLPGOCECIZBB-WFASDCNBSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648661 520111693 /nfs/dbraw/zinc/11/16/93/520111693.db2.gz LDHUWHZETFYFNS-IUODEOHRSA-N 2 1 280.416 2.201 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C(C)(C)CC)C(N)=O ZINC000069446562 520131523 /nfs/dbraw/zinc/13/15/23/520131523.db2.gz WUMKTFBMMAITTG-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCCC[N@H+](CC[C@H]([NH2+]CCC)C(N)=O)C(C)C ZINC000062463162 520173996 /nfs/dbraw/zinc/17/39/96/520173996.db2.gz OQBQLBSDEJMYKQ-AWEZNQCLSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCCC[N@@H+](CC[C@H]([NH2+]CCC)C(N)=O)C(C)C ZINC000062463162 520174004 /nfs/dbraw/zinc/17/40/04/520174004.db2.gz OQBQLBSDEJMYKQ-AWEZNQCLSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[N@@H+](CCO)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016759 520525380 /nfs/dbraw/zinc/52/53/80/520525380.db2.gz BEBBGRKNOAOXSW-HNNXBMFYSA-N 2 1 250.386 2.171 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2cc(C[NH3+])oc2C)C1 ZINC000052372230 520527015 /nfs/dbraw/zinc/52/70/15/520527015.db2.gz AYSLZTGOFDQCPA-ZDUSSCGKSA-N 2 1 252.358 2.048 10 0 CEAEMP CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068695584 521222772 /nfs/dbraw/zinc/22/27/72/521222772.db2.gz DWXRWQQJECNDJJ-JKSUJKDBSA-N 2 1 278.444 2.290 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1cc(C[NH3+])co1 ZINC000052573361 521558616 /nfs/dbraw/zinc/55/86/16/521558616.db2.gz DFVYOUNLALLULU-UHFFFAOYSA-N 2 1 254.374 2.375 10 0 CEAEMP CCC[N@@H+](CCOc1cccc(C[NH2+]C)c1)CCN(C)C ZINC000052544203 521668847 /nfs/dbraw/zinc/66/88/47/521668847.db2.gz WHBFLFHYKYHKRL-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CCCN(CCOc1cccc(C[NH2+]C)c1)CC[NH+](C)C ZINC000052544203 521668849 /nfs/dbraw/zinc/66/88/49/521668849.db2.gz WHBFLFHYKYHKRL-UHFFFAOYSA-N 2 1 293.455 2.058 10 0 CEAEMP CCC[N@H+](Cc1cnn(C)c1)C1(C[NH3+])CCCCC1 ZINC000050539245 521691896 /nfs/dbraw/zinc/69/18/96/521691896.db2.gz PFOBXIIYUSSJCB-UHFFFAOYSA-N 2 1 264.417 2.294 10 0 CEAEMP CCC[N@@H+](Cc1cnn(C)c1)C1(C[NH3+])CCCCC1 ZINC000050539245 521691899 /nfs/dbraw/zinc/69/18/99/521691899.db2.gz PFOBXIIYUSSJCB-UHFFFAOYSA-N 2 1 264.417 2.294 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccc(OC)cc2)CCOCC1 ZINC000052183055 521965117 /nfs/dbraw/zinc/96/51/17/521965117.db2.gz AYVUFDHWFJBCEE-UHFFFAOYSA-N 2 1 292.423 2.143 10 0 CEAEMP C[NH2+]CCCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000052484235 521992300 /nfs/dbraw/zinc/99/23/00/521992300.db2.gz SGPKFNGOMGUKEX-UHFFFAOYSA-N 2 1 267.461 2.326 10 0 CEAEMP C[NH2+]CCC[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484225 522000225 /nfs/dbraw/zinc/00/02/25/522000225.db2.gz NUZFFTDXLSXLHZ-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C2CCC(C)CC2)O1 ZINC000052345450 522096824 /nfs/dbraw/zinc/09/68/24/522096824.db2.gz FCZUBNDSZNNLGN-NEXFUWMNSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCCSCC2)c(C)o1 ZINC000052371167 522106174 /nfs/dbraw/zinc/10/61/74/522106174.db2.gz QFWZNTKYNJOFDX-UHFFFAOYSA-N 2 1 254.399 2.246 10 0 CEAEMP CCc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH2+]C1CC1 ZINC000054968961 522385111 /nfs/dbraw/zinc/38/51/11/522385111.db2.gz KSCROEBTUPVKRE-UHFFFAOYSA-N 2 1 294.468 2.099 10 0 CEAEMP COc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1O ZINC000049553293 522908849 /nfs/dbraw/zinc/90/88/49/522908849.db2.gz MUOXBJYOWBBUPT-NWDGAFQWSA-N 2 1 266.385 2.392 10 0 CEAEMP COCC[N@@H+](CCCC[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545269 523693095 /nfs/dbraw/zinc/69/30/95/523693095.db2.gz JWDTXMYVTGCLDW-ZDUSSCGKSA-N 2 1 254.418 2.266 10 0 CEAEMP COCC[N@@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@@H](C)COC ZINC000052572392 523740266 /nfs/dbraw/zinc/74/02/66/523740266.db2.gz HHDLVKOTYONLGC-AWEZNQCLSA-N 2 1 298.427 2.261 10 0 CEAEMP COCC[N@@H+](Cc1ccoc1C[NH2+]C(C)C)[C@@H](C)COC ZINC000052572350 523770046 /nfs/dbraw/zinc/77/00/46/523770046.db2.gz RNOVSTURMPAPLO-AWEZNQCLSA-N 2 1 298.427 2.261 10 0 CEAEMP COCC[N@H+]([C@@H](C)COC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023347 523781714 /nfs/dbraw/zinc/78/17/14/523781714.db2.gz RLXBEHARYJVYOS-ZFWWWQNUSA-N 2 1 293.411 2.037 10 0 CEAEMP COCC[N@@H+]([C@@H](C)COC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023347 523781718 /nfs/dbraw/zinc/78/17/18/523781718.db2.gz RLXBEHARYJVYOS-ZFWWWQNUSA-N 2 1 293.411 2.037 10 0 CEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1F ZINC000070182787 524351570 /nfs/dbraw/zinc/35/15/70/524351570.db2.gz FXKSLTQVSLZISX-STQMWFEESA-N 2 1 266.360 2.264 10 0 CEAEMP C[C@@H]1CC[C@@H](C)[C@@](CN)([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000068630024 524580302 /nfs/dbraw/zinc/58/03/02/524580302.db2.gz ATLZBSRGJVLJJZ-BFYDXBDKSA-N 2 1 281.488 2.414 10 0 CEAEMP Cc1ccc[nH+]c1N(CCC[NH3+])Cc1cccnc1 ZINC000051040714 525533357 /nfs/dbraw/zinc/53/33/57/525533357.db2.gz WILJYTWCUQHADH-UHFFFAOYSA-N 2 1 256.353 2.140 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000050563661 525640865 /nfs/dbraw/zinc/64/08/65/525640865.db2.gz NZZGONWQZPDYPQ-QWHCGFSZSA-N 2 1 275.396 2.204 10 0 CEAEMP Cc1cn2c(C[NH2+][C@H](C)CC[NH+](C)C)c(C)nc2s1 ZINC000049553915 525916282 /nfs/dbraw/zinc/91/62/82/525916282.db2.gz QCXSNQHSMSJTPW-SNVBAGLBSA-N 2 1 280.441 2.442 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000068749661 527247014 /nfs/dbraw/zinc/24/70/14/527247014.db2.gz FAYNUOIUEWSSFA-MRXNPFEDSA-N 2 1 268.364 2.272 10 0 CEAEMP COc1cccc(N2CC[NH+](CC(C)(C)[C@@H](C)[NH3+])CC2)c1 ZINC000091402718 537122841 /nfs/dbraw/zinc/12/28/41/537122841.db2.gz AZONDKQRRCTWOP-CQSZACIVSA-N 2 1 291.439 2.191 10 0 CEAEMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398947897 628765874 /nfs/dbraw/zinc/76/58/74/628765874.db2.gz AJPYUSYFJWAHQO-HOTGVXAUSA-N 2 1 268.445 2.248 10 0 CEAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000399170123 628782307 /nfs/dbraw/zinc/78/23/07/628782307.db2.gz IEEKUFATSGZNCG-CYBMUJFWSA-N 2 1 254.418 2.002 10 0 CEAEMP OC[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261765409 629186695 /nfs/dbraw/zinc/18/66/95/629186695.db2.gz MUELBUYCAXBBJT-AEFFLSMTSA-N 2 1 288.435 2.012 10 0 CEAEMP CN(C[C@H](O)c1cc2ccccc2o1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190569 641729566 /nfs/dbraw/zinc/72/95/66/641729566.db2.gz GLQRUQGGQNHZRI-ZFWWWQNUSA-N 2 1 288.391 2.350 10 0 CEAEMP C[N@H+](C[C@H](O)c1cc2ccccc2o1)C[C@H]1CC[NH+](C)C1 ZINC000071190569 641729569 /nfs/dbraw/zinc/72/95/69/641729569.db2.gz GLQRUQGGQNHZRI-ZFWWWQNUSA-N 2 1 288.391 2.350 10 0 CEAEMP C[N@@H+](C[C@H](O)c1cc2ccccc2o1)C[C@H]1CC[NH+](C)C1 ZINC000071190569 641729572 /nfs/dbraw/zinc/72/95/72/641729572.db2.gz GLQRUQGGQNHZRI-ZFWWWQNUSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@H](O)c1cc2ccccc2o1)C[C@H]1CC[N@H+](C)C1 ZINC000071190569 641729575 /nfs/dbraw/zinc/72/95/75/641729575.db2.gz GLQRUQGGQNHZRI-ZFWWWQNUSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@H](O)c1cc2ccccc2o1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190569 641729578 /nfs/dbraw/zinc/72/95/78/641729578.db2.gz GLQRUQGGQNHZRI-ZFWWWQNUSA-N 2 1 288.391 2.350 10 0 CEAEMP C[N@@H+](C[C@@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412800 539031012 /nfs/dbraw/zinc/03/10/12/539031012.db2.gz HBLSKSBLZIPFTE-JDOFQRQTSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394412800 539031013 /nfs/dbraw/zinc/03/10/13/539031013.db2.gz HBLSKSBLZIPFTE-JDOFQRQTSA-N 2 1 266.429 2.095 10 0 CEAEMP C[NH+](C[C@@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394412800 539031014 /nfs/dbraw/zinc/03/10/14/539031014.db2.gz HBLSKSBLZIPFTE-JDOFQRQTSA-N 2 1 266.429 2.095 10 0 CEAEMP OCCC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000113603791 344277264 /nfs/dbraw/zinc/27/72/64/344277264.db2.gz BLDGMXLDSDCBTB-UHFFFAOYSA-N 2 1 288.435 2.499 10 0 CEAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000328631957 344757285 /nfs/dbraw/zinc/75/72/85/344757285.db2.gz LAMBRAYMYNYIRA-QANKJYHBSA-N 2 1 297.402 2.036 10 0 CEAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000328631957 344757288 /nfs/dbraw/zinc/75/72/88/344757288.db2.gz LAMBRAYMYNYIRA-QANKJYHBSA-N 2 1 297.402 2.036 10 0 CEAEMP Cc1ncccc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328645207 344758219 /nfs/dbraw/zinc/75/82/19/344758219.db2.gz SCRBGTAALXAKDK-AWEZNQCLSA-N 2 1 270.380 2.281 10 0 CEAEMP Cc1ncccc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328645207 344758220 /nfs/dbraw/zinc/75/82/20/344758220.db2.gz SCRBGTAALXAKDK-AWEZNQCLSA-N 2 1 270.380 2.281 10 0 CEAEMP Cc1ncsc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328625695 344756462 /nfs/dbraw/zinc/75/64/62/344756462.db2.gz DKXNAGJSUHGHBZ-GFCCVEGCSA-N 2 1 276.409 2.342 10 0 CEAEMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328625695 344756464 /nfs/dbraw/zinc/75/64/64/344756464.db2.gz DKXNAGJSUHGHBZ-GFCCVEGCSA-N 2 1 276.409 2.342 10 0 CEAEMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000399191815 344857015 /nfs/dbraw/zinc/85/70/15/344857015.db2.gz QEYLJEIHHZCBMA-UKRRQHHQSA-N 2 1 254.418 2.002 10 0 CEAEMP CCCNC(=O)[C@H](C)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403668 179052929 /nfs/dbraw/zinc/05/29/29/179052929.db2.gz VQSDDIMRZXGJJJ-GOEBONIOSA-N 2 1 295.471 2.145 10 0 CEAEMP c1ccc2c(c1)CCC[C@@H]2C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000085403079 179053322 /nfs/dbraw/zinc/05/33/22/179053322.db2.gz UMPBQUBOQQDGRZ-HLLBOEOZSA-N 2 1 256.393 2.400 10 0 CEAEMP c1ccc2c(c1)CCC[C@@H]2C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000085403079 179053324 /nfs/dbraw/zinc/05/33/24/179053324.db2.gz UMPBQUBOQQDGRZ-HLLBOEOZSA-N 2 1 256.393 2.400 10 0 CEAEMP OCCCC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403706 179053387 /nfs/dbraw/zinc/05/33/87/179053387.db2.gz PCQXOXHPSSVXHY-OAHLLOKOSA-N 2 1 254.418 2.003 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609442 179101862 /nfs/dbraw/zinc/10/18/62/179101862.db2.gz ULLRVVFDJUXDNO-QLFBSQMISA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085671489 179111418 /nfs/dbraw/zinc/11/14/18/179111418.db2.gz MUCHKUVUHSVGLK-YJNKXOJESA-N 2 1 268.445 2.366 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086173722 179244138 /nfs/dbraw/zinc/24/41/38/179244138.db2.gz WSKQZAXNWOAKSW-VVLHAWIVSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172103 179244630 /nfs/dbraw/zinc/24/46/30/179244630.db2.gz RURXMBMRKLYMAR-NCOADZHNSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086174280 179245325 /nfs/dbraw/zinc/24/53/25/179245325.db2.gz DWEYKGVHHLCIQN-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086174280 179245328 /nfs/dbraw/zinc/24/53/28/179245328.db2.gz DWEYKGVHHLCIQN-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223001 179250996 /nfs/dbraw/zinc/25/09/96/179250996.db2.gz MFKFJXXQPKMTJK-HYVNUMGLSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223932 179253022 /nfs/dbraw/zinc/25/30/22/179253022.db2.gz KZPNNPRXHGHIEK-HUUCEWRRSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225413 179253289 /nfs/dbraw/zinc/25/32/89/179253289.db2.gz UHJZKOZGAZMPMA-ARFHVFGLSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224020 179253296 /nfs/dbraw/zinc/25/32/96/179253296.db2.gz NZYRDGAJAQXFBV-PMPSAXMXSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@@](C)(C3CC3)NC[C@@H]2C)CC1 ZINC000086259141 179257856 /nfs/dbraw/zinc/25/78/56/179257856.db2.gz PQSUMEWGLQZYQA-YOEHRIQHSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)CC1 ZINC000086259141 179257858 /nfs/dbraw/zinc/25/78/58/179257858.db2.gz PQSUMEWGLQZYQA-YOEHRIQHSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259597 179258121 /nfs/dbraw/zinc/25/81/21/179258121.db2.gz SYCBRYJMPZYCSQ-GDBMZVCRSA-N 2 1 279.472 2.466 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259622 179258352 /nfs/dbraw/zinc/25/83/52/179258352.db2.gz SXJTXNUDRFZLEH-BMGDILEWSA-N 2 1 291.483 2.466 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259628 179259228 /nfs/dbraw/zinc/25/92/28/179259228.db2.gz GMIXWBXCYXNFQK-IMJJTQAJSA-N 2 1 265.445 2.076 10 0 CEAEMP CC1(C)C[N@@H+](CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285642 179263848 /nfs/dbraw/zinc/26/38/48/179263848.db2.gz UYZWNKPKWSMHNL-UHFFFAOYSA-N 2 1 250.361 2.442 10 0 CEAEMP Fc1cccc(CC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086287258 179264494 /nfs/dbraw/zinc/26/44/94/179264494.db2.gz CGYINNMCVVANPV-MRXNPFEDSA-N 2 1 262.372 2.442 10 0 CEAEMP Fc1cccc(CC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086287258 179264495 /nfs/dbraw/zinc/26/44/95/179264495.db2.gz CGYINNMCVVANPV-MRXNPFEDSA-N 2 1 262.372 2.442 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288683 179264767 /nfs/dbraw/zinc/26/47/67/179264767.db2.gz WCTPDFWKYCZTGK-WMZOPIPTSA-N 2 1 287.451 2.365 10 0 CEAEMP C[C@H]([C@@H]1CCCO1)[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287103 179264873 /nfs/dbraw/zinc/26/48/73/179264873.db2.gz ZJVFJQJVDIADGF-RDBSUJKOSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288727 179264967 /nfs/dbraw/zinc/26/49/67/179264967.db2.gz YPBXSMNSHGPYTB-MRXNPFEDSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288727 179264968 /nfs/dbraw/zinc/26/49/68/179264968.db2.gz YPBXSMNSHGPYTB-MRXNPFEDSA-N 2 1 261.413 2.334 10 0 CEAEMP C[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259090 179256710 /nfs/dbraw/zinc/25/67/10/179256710.db2.gz HLVSYFYISIAIIJ-DZGCQCFKSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259090 179256713 /nfs/dbraw/zinc/25/67/13/179256713.db2.gz HLVSYFYISIAIIJ-DZGCQCFKSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293259 179266628 /nfs/dbraw/zinc/26/66/28/179266628.db2.gz IXAVOSWYHIJNAA-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293259 179266630 /nfs/dbraw/zinc/26/66/30/179266630.db2.gz IXAVOSWYHIJNAA-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293271 179266680 /nfs/dbraw/zinc/26/66/80/179266680.db2.gz FQFXFWHIOFTVPE-HNNXBMFYSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)C[C@H]1CN(CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293271 179266682 /nfs/dbraw/zinc/26/66/82/179266682.db2.gz FQFXFWHIOFTVPE-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)C[C@@H]1C ZINC000086444155 179293453 /nfs/dbraw/zinc/29/34/53/179293453.db2.gz KCONPKKDPVQKML-RYUDHWBXSA-N 2 1 294.468 2.270 10 0 CEAEMP CC(C)[N@H+]1CCO[C@H](CO[C@@]2(C[NH3+])CCC[C@@H](C)C2)C1 ZINC000086712321 179322743 /nfs/dbraw/zinc/32/27/43/179322743.db2.gz VFYZTYLTUPIFNW-PMPSAXMXSA-N 2 1 284.444 2.020 10 0 CEAEMP CCN(c1cccc(F)c1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819497 179348325 /nfs/dbraw/zinc/34/83/25/179348325.db2.gz JDIAPHXFSHSZCO-INIZCTEOSA-N 2 1 279.403 2.465 10 0 CEAEMP CCN(C1CCCC1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819295 179348541 /nfs/dbraw/zinc/34/85/41/179348541.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847103 179356225 /nfs/dbraw/zinc/35/62/25/179356225.db2.gz RXNNTHMVURJNLI-KRWDZBQOSA-N 2 1 290.455 2.107 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848734 179356663 /nfs/dbraw/zinc/35/66/63/179356663.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848734 179356665 /nfs/dbraw/zinc/35/66/65/179356665.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848734 179356668 /nfs/dbraw/zinc/35/66/68/179356668.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+](C)CC2CCCC2)CC1 ZINC000086848734 179356670 /nfs/dbraw/zinc/35/66/70/179356670.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](C)CC2CCCC2)CC1 ZINC000086848734 179356671 /nfs/dbraw/zinc/35/66/71/179356671.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848389 179356815 /nfs/dbraw/zinc/35/68/15/179356815.db2.gz DGCWZRWOFQDPQJ-INIZCTEOSA-N 2 1 279.403 2.465 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000086846991 179357248 /nfs/dbraw/zinc/35/72/48/179357248.db2.gz DPNFIUNAXWBQDT-HNNXBMFYSA-N 2 1 281.469 2.383 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843723 179353186 /nfs/dbraw/zinc/35/31/86/179353186.db2.gz PIRRUXWFCOJITQ-OAHLLOKOSA-N 3 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000086842317 179353472 /nfs/dbraw/zinc/35/34/72/179353472.db2.gz SRJSQNZLWDPCTA-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H](N[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000086842317 179353473 /nfs/dbraw/zinc/35/34/73/179353473.db2.gz SRJSQNZLWDPCTA-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000086842317 179353475 /nfs/dbraw/zinc/35/34/75/179353475.db2.gz SRJSQNZLWDPCTA-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000086842317 179353476 /nfs/dbraw/zinc/35/34/76/179353476.db2.gz SRJSQNZLWDPCTA-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000086842317 179353477 /nfs/dbraw/zinc/35/34/77/179353477.db2.gz SRJSQNZLWDPCTA-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000086842415 179354019 /nfs/dbraw/zinc/35/40/19/179354019.db2.gz SQPBPDUDAHFNLG-CQSZACIVSA-N 2 1 276.380 2.379 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000086842415 179354022 /nfs/dbraw/zinc/35/40/22/179354022.db2.gz SQPBPDUDAHFNLG-CQSZACIVSA-N 2 1 276.380 2.379 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844101 179355241 /nfs/dbraw/zinc/35/52/41/179355241.db2.gz YZKFOJBFKGWYIS-SLTAFYQDSA-N 3 1 253.434 2.110 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccc(F)c2)CC1 ZINC000086846642 179355341 /nfs/dbraw/zinc/35/53/41/179355341.db2.gz QYMARARPOZVGRQ-KRWDZBQOSA-N 2 1 293.430 2.461 10 0 CEAEMP CCOC(=O)C[C@]1([NH+](C)C)CCC[N@H+](C(C)C)CC1 ZINC000086868529 179360507 /nfs/dbraw/zinc/36/05/07/179360507.db2.gz YKDOTCLSFJZXCQ-HNNXBMFYSA-N 2 1 270.417 2.134 10 0 CEAEMP C[C@H]1CCC[C@@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000086891434 179366359 /nfs/dbraw/zinc/36/63/59/179366359.db2.gz LBSVYUQUJUJJHS-GOEBONIOSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916915 179367830 /nfs/dbraw/zinc/36/78/30/179367830.db2.gz FFWLJZRPBDTYAJ-OWCLPIDISA-N 2 1 295.471 2.132 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC(O)(CC)CC)CC1 ZINC000087014626 179379814 /nfs/dbraw/zinc/37/98/14/179379814.db2.gz UDYIIKRDMYXEHF-CQSZACIVSA-N 2 1 256.434 2.392 10 0 CEAEMP CC1CCC(O)(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000087045870 179388304 /nfs/dbraw/zinc/38/83/04/179388304.db2.gz KISXMMLNJZMIHR-SHARSMKWSA-N 2 1 254.418 2.002 10 0 CEAEMP C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C[C@@H]1CCCO1 ZINC000087247698 179405192 /nfs/dbraw/zinc/40/51/92/179405192.db2.gz NSRBRGMBBDPOFT-KFWWJZLASA-N 2 1 252.402 2.162 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+](CC)C1CCCC1 ZINC000090566151 180005274 /nfs/dbraw/zinc/00/52/74/180005274.db2.gz KIWBCBZZCJCCLS-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000090567043 180006552 /nfs/dbraw/zinc/00/65/52/180006552.db2.gz AINFCZSAOGMXAJ-KBPBESRZSA-N 2 1 254.418 2.123 10 0 CEAEMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)cc1 ZINC000090694115 180025983 /nfs/dbraw/zinc/02/59/83/180025983.db2.gz ZZBKZLYMUBURKZ-UHFFFAOYSA-N 2 1 293.386 2.086 10 0 CEAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000090694074 180026484 /nfs/dbraw/zinc/02/64/84/180026484.db2.gz OZWHPDLYNQHUQJ-CYBMUJFWSA-N 2 1 283.460 2.001 10 0 CEAEMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC000090773339 180038556 /nfs/dbraw/zinc/03/85/56/180038556.db2.gz CZIJCTIAFXAMQQ-CABCVRRESA-N 2 1 256.434 2.367 10 0 CEAEMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC000090773339 180038559 /nfs/dbraw/zinc/03/85/59/180038559.db2.gz CZIJCTIAFXAMQQ-CABCVRRESA-N 2 1 256.434 2.367 10 0 CEAEMP [NH3+]CCC[N@H+]1CCCN(c2snc3ccccc32)CC1 ZINC000090868844 180049422 /nfs/dbraw/zinc/04/94/22/180049422.db2.gz YMCOLXMEFBWEON-UHFFFAOYSA-N 2 1 290.436 2.157 10 0 CEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875334 180050734 /nfs/dbraw/zinc/05/07/34/180050734.db2.gz JRJMFLKFDWVOHM-NFAWXSAZSA-N 2 1 260.381 2.049 10 0 CEAEMP CC[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090875379 180051390 /nfs/dbraw/zinc/05/13/90/180051390.db2.gz OZVJAFFEFAXIIH-ZBFHGGJFSA-N 2 1 274.408 2.312 10 0 CEAEMP CC[C@](C)(C[NH3+])[N@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891792 180053999 /nfs/dbraw/zinc/05/39/99/180053999.db2.gz OPIDMJPLWAXBCL-DZGCQCFKSA-N 2 1 266.360 2.188 10 0 CEAEMP CC[C@](C)(C[NH3+])[N@@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891792 180054001 /nfs/dbraw/zinc/05/40/01/180054001.db2.gz OPIDMJPLWAXBCL-DZGCQCFKSA-N 2 1 266.360 2.188 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892206 180054011 /nfs/dbraw/zinc/05/40/11/180054011.db2.gz KHJIPPRGLKNJDD-WFASDCNBSA-N 2 1 278.371 2.061 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])C[C@H]1Cc2cc(C)ccc2O1 ZINC000090896975 180056978 /nfs/dbraw/zinc/05/69/78/180056978.db2.gz MUJGJPLRACBZIS-OAHLLOKOSA-N 2 1 262.397 2.359 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907814 180062186 /nfs/dbraw/zinc/06/21/86/180062186.db2.gz PCGVPZIYOWKVDQ-MCIONIFRSA-N 2 1 254.418 2.406 10 0 CEAEMP COCC[N@@H+](Cc1csc([C@H](C)[NH3+])n1)CC(C)C ZINC000090958282 180075201 /nfs/dbraw/zinc/07/52/01/180075201.db2.gz WOKLPZKFLCQNRE-NSHDSACASA-N 2 1 271.430 2.267 10 0 CEAEMP COCC[N@H+](Cc1csc([C@H](C)[NH3+])n1)CC(C)C ZINC000090958282 180075202 /nfs/dbraw/zinc/07/52/02/180075202.db2.gz WOKLPZKFLCQNRE-NSHDSACASA-N 2 1 271.430 2.267 10 0 CEAEMP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978336 180079188 /nfs/dbraw/zinc/07/91/88/180079188.db2.gz BVGGIQRSDIFBSX-OFQRWUPVSA-N 2 1 256.393 2.256 10 0 CEAEMP CCC[C@@H](C[NH3+])[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669376911 539758158 /nfs/dbraw/zinc/75/81/58/539758158.db2.gz BACVTAJZFUQJBN-DLBZAZTESA-N 2 1 276.424 2.389 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091428493 180153227 /nfs/dbraw/zinc/15/32/27/180153227.db2.gz GPZMBJXAXREVGR-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCCC[N@@H+](CCO)CC(C)(C)[C@H](C)[NH2+]CCC ZINC000091403458 180146905 /nfs/dbraw/zinc/14/69/05/180146905.db2.gz HPSRUIYQRICVLE-AWEZNQCLSA-N 2 1 258.450 2.495 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCO)C1CCCC1 ZINC000091403820 180147066 /nfs/dbraw/zinc/14/70/66/180147066.db2.gz DDJZMZNKFZLGJR-ZDUSSCGKSA-N 2 1 256.434 2.248 10 0 CEAEMP CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@](C)(CC)[NH+](C)C ZINC000091571375 180196304 /nfs/dbraw/zinc/19/63/04/180196304.db2.gz OFTOORVXQSAZHK-CVEARBPZSA-N 2 1 280.460 2.233 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@H](N)Cc1cc[nH+]c(N)c1 ZINC000091573553 180196337 /nfs/dbraw/zinc/19/63/37/180196337.db2.gz BYWUQAUKIVVUNS-UKRRQHHQSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[NH2+][C@H](Cc1ncnn1C(C)C)[C@@](C)(CC)[NH+](C)C ZINC000091571645 180196396 /nfs/dbraw/zinc/19/63/96/180196396.db2.gz GBTNFQMHXPOMRV-UKRRQHHQSA-N 2 1 281.448 2.110 10 0 CEAEMP CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@](C)(CC)[NH+](C)C ZINC000091571646 180196615 /nfs/dbraw/zinc/19/66/15/180196615.db2.gz GBTNFQMHXPOMRV-ZFWWWQNUSA-N 2 1 281.448 2.110 10 0 CEAEMP OC1CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000091524463 180178259 /nfs/dbraw/zinc/17/82/59/180178259.db2.gz IRZBIRSGNRDBKK-UHFFFAOYSA-N 2 1 274.408 2.012 10 0 CEAEMP OC1CC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000091538547 180182853 /nfs/dbraw/zinc/18/28/53/180182853.db2.gz UGAKPPTUZSDJNJ-UHFFFAOYSA-N 2 1 288.435 2.054 10 0 CEAEMP [NH3+][C@H](Cc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640512 180212880 /nfs/dbraw/zinc/21/28/80/180212880.db2.gz BQCZEAQVQZLEQX-OAHLLOKOSA-N 2 1 259.397 2.360 10 0 CEAEMP Cc1ccc(C[C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720549 180237082 /nfs/dbraw/zinc/23/70/82/180237082.db2.gz PEILIJWRDLGPCX-IKGGRYGDSA-N 2 1 274.408 2.036 10 0 CEAEMP CC[N@@H+](C[C@H]1COC2(CCCC2)O1)C1CCC([NH3+])CC1 ZINC000091851014 180271888 /nfs/dbraw/zinc/27/18/88/180271888.db2.gz OSZWFECIQJQWCE-NRXISQOPSA-N 2 1 282.428 2.264 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)N[C@H](C)C(C)C)CC1 ZINC000091870096 180277187 /nfs/dbraw/zinc/27/71/87/180277187.db2.gz DGWWFSFUNIJZAX-QQFBHYJXSA-N 2 1 297.487 2.390 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccccc2[C@@H](C)[NH2+]C)C1 ZINC000092051125 180311778 /nfs/dbraw/zinc/31/17/78/180311778.db2.gz FVUIWURQVGYWNJ-ZIAGYGMSSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccccc2[C@@H](C)[NH2+]C)C1 ZINC000092051125 180311779 /nfs/dbraw/zinc/31/17/79/180311779.db2.gz FVUIWURQVGYWNJ-ZIAGYGMSSA-N 2 1 278.396 2.067 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COC2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000092050582 180311889 /nfs/dbraw/zinc/31/18/89/180311889.db2.gz AMILAPMKLMRHCX-CQSZACIVSA-N 2 1 284.444 2.021 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COC2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000092050582 180311891 /nfs/dbraw/zinc/31/18/91/180311891.db2.gz AMILAPMKLMRHCX-CQSZACIVSA-N 2 1 284.444 2.021 10 0 CEAEMP CC[N@H+]1CCO[C@@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000092060196 180314870 /nfs/dbraw/zinc/31/48/70/180314870.db2.gz LTYQPZVJKKHTJR-OAHLLOKOSA-N 2 1 279.428 2.097 10 0 CEAEMP C[C@H]([NH3+])c1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092001843 180303948 /nfs/dbraw/zinc/30/39/48/180303948.db2.gz MAASQCLTXZHHGH-MJBXVCDLSA-N 2 1 259.397 2.379 10 0 CEAEMP C[C@H](CC(N)=[NH2+])[N@@H+](C)Cc1ccnc2ccccc12 ZINC000092348156 180367588 /nfs/dbraw/zinc/36/75/88/180367588.db2.gz ZAQVBFXVYSSLFD-LLVKDONJSA-N 2 1 256.353 2.381 10 0 CEAEMP CC[N@H+](Cc1cccc(Cl)n1)C1CC[NH2+]CC1 ZINC000092366668 180369253 /nfs/dbraw/zinc/36/92/53/180369253.db2.gz YWRGFGUJSHCWEH-UHFFFAOYSA-N 2 1 253.777 2.309 10 0 CEAEMP CC[N@@H+](Cc1cccc(Cl)n1)C1CC[NH2+]CC1 ZINC000092366668 180369254 /nfs/dbraw/zinc/36/92/54/180369254.db2.gz YWRGFGUJSHCWEH-UHFFFAOYSA-N 2 1 253.777 2.309 10 0 CEAEMP CCNc1cc[nH+]c(CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000092419228 180382261 /nfs/dbraw/zinc/38/22/61/180382261.db2.gz QPMROMMPJPJRFO-UHFFFAOYSA-N 2 1 262.401 2.039 10 0 CEAEMP CC(C)c1ccc([C@H](C[NH3+])N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000107911917 186197208 /nfs/dbraw/zinc/19/72/08/186197208.db2.gz PHNUSXPGGXRXKF-YOEHRIQHSA-N 2 1 275.440 2.446 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2sccc2C)CC[N@H+]1C ZINC000107919712 186197847 /nfs/dbraw/zinc/19/78/47/186197847.db2.gz SXWHXULIQPPVRV-OLZOCXBDSA-N 2 1 267.442 2.082 10 0 CEAEMP COc1ccc(C[N@@H+]2CCC[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555063 186263269 /nfs/dbraw/zinc/26/32/69/186263269.db2.gz CMFLEFUEEGXQAI-ZDUSSCGKSA-N 2 1 278.396 2.135 10 0 CEAEMP COc1ccc(C[N@H+]2CCC[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555063 186263271 /nfs/dbraw/zinc/26/32/71/186263271.db2.gz CMFLEFUEEGXQAI-ZDUSSCGKSA-N 2 1 278.396 2.135 10 0 CEAEMP CCC[NH2+]Cc1ccoc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110921502 186332898 /nfs/dbraw/zinc/33/28/98/186332898.db2.gz HXEZUKMWUFETCN-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110921502 186332899 /nfs/dbraw/zinc/33/28/99/186332899.db2.gz HXEZUKMWUFETCN-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110921502 186332901 /nfs/dbraw/zinc/33/29/01/186332901.db2.gz HXEZUKMWUFETCN-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP CC[N@H+]1CCN(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)C[C@@H]1C ZINC000110694751 186313384 /nfs/dbraw/zinc/31/33/84/186313384.db2.gz BPGFXGFTEUDYKP-QWHCGFSZSA-N 2 1 290.411 2.264 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705147 186314652 /nfs/dbraw/zinc/31/46/52/186314652.db2.gz XLUBEWODOHONKA-YPMHNXCESA-N 2 1 267.442 2.162 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC[N@H+]1C ZINC000110710108 186315258 /nfs/dbraw/zinc/31/52/58/186315258.db2.gz RXAGXXIJUPPLDH-CVEARBPZSA-N 2 1 291.439 2.029 10 0 CEAEMP CC[C@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)no2)CC[N@H+]1C ZINC000110753939 186319755 /nfs/dbraw/zinc/31/97/55/186319755.db2.gz CHOZGXYIFKJKFR-AWEZNQCLSA-N 2 1 294.443 2.089 10 0 CEAEMP C[C@@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@H+]1C ZINC000110751281 186320956 /nfs/dbraw/zinc/32/09/56/186320956.db2.gz ITXUMSYPIWCJGF-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110751281 186320957 /nfs/dbraw/zinc/32/09/57/186320957.db2.gz ITXUMSYPIWCJGF-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110751281 186320958 /nfs/dbraw/zinc/32/09/58/186320958.db2.gz ITXUMSYPIWCJGF-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP C[N@H+]1CCC[C@H]1CCOc1ccc(F)cc1C[NH3+] ZINC000111028556 186346301 /nfs/dbraw/zinc/34/63/01/186346301.db2.gz KVSMCZJIJAAZMR-ZDUSSCGKSA-N 2 1 252.333 2.148 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000111137526 186358122 /nfs/dbraw/zinc/35/81/22/186358122.db2.gz MUJKFSCVMXRLJF-AWEZNQCLSA-N 2 1 279.453 2.287 10 0 CEAEMP C[N@@H+](C[C@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000111171776 186364728 /nfs/dbraw/zinc/36/47/28/186364728.db2.gz NKSSGKCLGUEIKG-ILXRZTDVSA-N 2 1 254.418 2.252 10 0 CEAEMP C[C@H](C[NH2+]C1CCCC1)[N@H+](C)CC1CCOCC1 ZINC000111176865 186365246 /nfs/dbraw/zinc/36/52/46/186365246.db2.gz WYHQSJCPWXRYLG-CYBMUJFWSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@H](C[NH2+]C1CCCC1)[N@@H+](C)CC1CCOCC1 ZINC000111176865 186365247 /nfs/dbraw/zinc/36/52/47/186365247.db2.gz WYHQSJCPWXRYLG-CYBMUJFWSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H](C[NH2+]C1CCCC1)[N@H+](C)CC1CCOCC1 ZINC000111176862 186365513 /nfs/dbraw/zinc/36/55/13/186365513.db2.gz WYHQSJCPWXRYLG-ZDUSSCGKSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H](C[NH2+]C1CCCC1)[N@@H+](C)CC1CCOCC1 ZINC000111176862 186365515 /nfs/dbraw/zinc/36/55/15/186365515.db2.gz WYHQSJCPWXRYLG-ZDUSSCGKSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccccc2)CCCOC1 ZINC000111324141 186396634 /nfs/dbraw/zinc/39/66/34/186396634.db2.gz WYJBYVTYLPAXMK-MRXNPFEDSA-N 2 1 262.397 2.135 10 0 CEAEMP CC(C)(C)[NH2+]C[C@]1(C[NH+]2CCSCC2)CCCOC1 ZINC000111324542 186399245 /nfs/dbraw/zinc/39/92/45/186399245.db2.gz UPMXFJRSOLBUHG-HNNXBMFYSA-N 2 1 286.485 2.220 10 0 CEAEMP CC1CCC([N@@H+](C)C[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000111328198 186399538 /nfs/dbraw/zinc/39/95/38/186399538.db2.gz CGZDNJZBMARUKV-NRXISQOPSA-N 2 1 254.418 2.252 10 0 CEAEMP Cc1cc[nH+]c(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000630530122 351774029 /nfs/dbraw/zinc/77/40/29/351774029.db2.gz YKGXROBLCQJEMN-GHMZBOCLSA-N 2 1 273.302 2.354 10 0 CEAEMP NC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000123438271 187091683 /nfs/dbraw/zinc/09/16/83/187091683.db2.gz GUJWFFNCHFYRCF-NSHDSACASA-N 2 1 281.787 2.092 10 0 CEAEMP NC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000123438271 187091684 /nfs/dbraw/zinc/09/16/84/187091684.db2.gz GUJWFFNCHFYRCF-NSHDSACASA-N 2 1 281.787 2.092 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000156562742 540008841 /nfs/dbraw/zinc/00/88/41/540008841.db2.gz DBJJWRDKWQYAKZ-BONVTDFDSA-N 2 1 291.782 2.441 10 0 CEAEMP Clc1ccc2c(NC[C@H]3C[NH2+]CCO3)cc[nH+]c2c1 ZINC000134271032 366305393 /nfs/dbraw/zinc/30/53/93/366305393.db2.gz OZWMPNSCGPGQPS-LLVKDONJSA-N 2 1 277.755 2.289 10 0 CEAEMP Cc1noc(C)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178334216 189108248 /nfs/dbraw/zinc/10/82/48/189108248.db2.gz PAVKNQFNQBWPCG-AWEZNQCLSA-N 2 1 274.368 2.461 10 0 CEAEMP Cc1noc(C)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178334216 189108249 /nfs/dbraw/zinc/10/82/49/189108249.db2.gz PAVKNQFNQBWPCG-AWEZNQCLSA-N 2 1 274.368 2.461 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000092813346 364110374 /nfs/dbraw/zinc/11/03/74/364110374.db2.gz FXOZTPSHIPPRMZ-OAHLLOKOSA-N 2 1 287.407 2.471 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000092813346 364110378 /nfs/dbraw/zinc/11/03/78/364110378.db2.gz FXOZTPSHIPPRMZ-OAHLLOKOSA-N 2 1 287.407 2.471 10 0 CEAEMP C[N@H+](Cc1ccnc(Br)c1)CC1CC[NH2+]CC1 ZINC000095071336 364331160 /nfs/dbraw/zinc/33/11/60/364331160.db2.gz DSRVOHKGOUQHBK-UHFFFAOYSA-N 2 1 298.228 2.276 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C[NH3+] ZINC000634999022 369031024 /nfs/dbraw/zinc/03/10/24/369031024.db2.gz OZDFCFMVIMNFBE-DOMZBBRYSA-N 2 1 274.408 2.427 10 0 CEAEMP CO[C@H](C[NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000638457981 370546665 /nfs/dbraw/zinc/54/66/65/370546665.db2.gz QAVNGSJQFRUXAA-OAHLLOKOSA-N 2 1 265.401 2.376 10 0 CEAEMP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246843239 371020254 /nfs/dbraw/zinc/02/02/54/371020254.db2.gz BTJREJMSSCJSHZ-LSDHHAIUSA-N 2 1 293.411 2.388 10 0 CEAEMP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246843239 371020258 /nfs/dbraw/zinc/02/02/58/371020258.db2.gz BTJREJMSSCJSHZ-LSDHHAIUSA-N 2 1 293.411 2.388 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261588180 371664280 /nfs/dbraw/zinc/66/42/80/371664280.db2.gz KAWQKENHNMRJPA-NUEKZKHPSA-N 2 1 260.381 2.254 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]12 ZINC000261601253 371672727 /nfs/dbraw/zinc/67/27/27/371672727.db2.gz BSCSHSJNURZPPY-DJIMGWMZSA-N 2 1 282.391 2.041 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545740 371641496 /nfs/dbraw/zinc/64/14/96/371641496.db2.gz KHJLJPIPOCLPJY-ROUUACIJSA-N 2 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545740 371641498 /nfs/dbraw/zinc/64/14/98/371641498.db2.gz KHJLJPIPOCLPJY-ROUUACIJSA-N 3 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545740 371641501 /nfs/dbraw/zinc/64/15/01/371641501.db2.gz KHJLJPIPOCLPJY-ROUUACIJSA-N 3 1 287.451 2.240 10 0 CEAEMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261705943 371707072 /nfs/dbraw/zinc/70/70/72/371707072.db2.gz IYYWYKYXPCFQIV-HRCADAONSA-N 2 1 274.408 2.351 10 0 CEAEMP FC(F)(F)C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262043120 371810229 /nfs/dbraw/zinc/81/02/29/371810229.db2.gz YQEWIFZMLJTUCV-QWRGUYRKSA-N 2 1 250.308 2.260 10 0 CEAEMP Cc1nc(C)c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000328628051 376863617 /nfs/dbraw/zinc/86/36/17/376863617.db2.gz GWBJFKITYKQGBA-LBPRGKRZSA-N 2 1 276.409 2.309 10 0 CEAEMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345227 197305139 /nfs/dbraw/zinc/30/51/39/197305139.db2.gz JXQCRCLSWQFZKE-CXAGYDPISA-N 2 1 276.424 2.355 10 0 CEAEMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289345227 197305140 /nfs/dbraw/zinc/30/51/40/197305140.db2.gz JXQCRCLSWQFZKE-CXAGYDPISA-N 2 1 276.424 2.355 10 0 CEAEMP CC(C)[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCC[NH+](C)C ZINC000094449373 184801849 /nfs/dbraw/zinc/80/18/49/184801849.db2.gz XBLIMTCQKWBUIR-HZPDHXFCSA-N 2 1 267.461 2.133 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC1(C[NH3+])CCCCCC1 ZINC000094465614 184804951 /nfs/dbraw/zinc/80/49/51/184804951.db2.gz GHJVXHZIDKDTJC-JKSUJKDBSA-N 2 1 279.472 2.454 10 0 CEAEMP CCC[N@H+](CCN(C)C)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] ZINC000094287601 184776568 /nfs/dbraw/zinc/77/65/68/184776568.db2.gz JZOLDHBZNDMQCY-HUUCEWRRSA-N 2 1 269.477 2.414 10 0 CEAEMP CCC[N@@H+](CCN(C)C)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] ZINC000094287601 184776569 /nfs/dbraw/zinc/77/65/69/184776569.db2.gz JZOLDHBZNDMQCY-HUUCEWRRSA-N 2 1 269.477 2.414 10 0 CEAEMP C[C@H]([NH3+])Cc1cc(F)ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094444548 135089079 /nfs/dbraw/zinc/08/90/79/135089079.db2.gz OTGLWJMBUGMPGN-XJKSGUPXSA-N 2 1 291.414 2.390 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccccc1CC[NH3+] ZINC000094444594 135089094 /nfs/dbraw/zinc/08/90/94/135089094.db2.gz TYBDXCPPGPJQLH-GOEBONIOSA-N 2 1 273.424 2.251 10 0 CEAEMP C[C@@H]1C[N@H+]([C@@H]2CCCC23CCOCC3)C[C@@]1(C)C[NH3+] ZINC000311379235 394537229 /nfs/dbraw/zinc/53/72/29/394537229.db2.gz ARHLVOSRZUHUII-RBSFLKMASA-N 2 1 266.429 2.252 10 0 CEAEMP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261971519 394610503 /nfs/dbraw/zinc/61/05/03/394610503.db2.gz QPXZSIZSCQVZNL-MGPQQGTHSA-N 2 1 254.418 2.169 10 0 CEAEMP C[C@@H]1C[N@H+]([C@@H]2CCCc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000382434053 395182200 /nfs/dbraw/zinc/18/22/00/395182200.db2.gz MPNZLIDQMXPDCO-XNRPHZJLSA-N 2 1 259.397 2.376 10 0 CEAEMP CN(CCOCC[NH3+])c1cc[nH+]c2cc(Cl)ccc21 ZINC000388467889 400533117 /nfs/dbraw/zinc/53/31/17/400533117.db2.gz CGOZYHPVINKAEQ-UHFFFAOYSA-N 2 1 279.771 2.300 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000651297125 401309071 /nfs/dbraw/zinc/30/90/71/401309071.db2.gz JAZDDDFDANLZJR-INIZCTEOSA-N 2 1 266.429 2.002 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCC[NH+]1CCCCC1)C2 ZINC000020523990 171237059 /nfs/dbraw/zinc/23/70/59/171237059.db2.gz GDGVYXBHGBXADC-MQVJKMGUSA-N 2 1 265.445 2.077 10 0 CEAEMP CN(Cc1cccs1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000035717127 172371105 /nfs/dbraw/zinc/37/11/05/172371105.db2.gz SGISAYDFOPYOAI-NNQSOWQGSA-N 2 1 279.453 2.134 10 0 CEAEMP CC[NH+](CC)CCN[C@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000037209807 173032204 /nfs/dbraw/zinc/03/22/04/173032204.db2.gz SOMSMUVYAVPKIB-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH+]1CCC(N[C@H](C)[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098049 174112682 /nfs/dbraw/zinc/11/26/82/174112682.db2.gz RKFMIEFCFBFHFB-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098049 174112684 /nfs/dbraw/zinc/11/26/84/174112684.db2.gz RKFMIEFCFBFHFB-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098049 174112686 /nfs/dbraw/zinc/11/26/86/174112686.db2.gz RKFMIEFCFBFHFB-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508121 174303094 /nfs/dbraw/zinc/30/30/94/174303094.db2.gz CNGGNLWSVBAXBO-BZUAXINKSA-N 2 1 295.471 2.097 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810134 175109878 /nfs/dbraw/zinc/10/98/78/175109878.db2.gz VPEGWCBXVVDMCA-KKUMJFAQSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810134 175109879 /nfs/dbraw/zinc/10/98/79/175109879.db2.gz VPEGWCBXVVDMCA-KKUMJFAQSA-N 2 1 282.428 2.135 10 0 CEAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818521 175113227 /nfs/dbraw/zinc/11/32/27/175113227.db2.gz VNROVPZVNPUKOT-PMPSAXMXSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCCCCCC1 ZINC000043819364 175114059 /nfs/dbraw/zinc/11/40/59/175114059.db2.gz MJBDLQBTSJTCKA-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970968 175131697 /nfs/dbraw/zinc/13/16/97/175131697.db2.gz PHVISCQNQQALPJ-PMPSAXMXSA-N 2 1 286.460 2.138 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970968 175131698 /nfs/dbraw/zinc/13/16/98/175131698.db2.gz PHVISCQNQQALPJ-PMPSAXMXSA-N 2 1 286.460 2.138 10 0 CEAEMP CCCC[N@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045368366 175363239 /nfs/dbraw/zinc/36/32/39/175363239.db2.gz HMUWBWMCPQDANB-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045368366 175363241 /nfs/dbraw/zinc/36/32/41/175363241.db2.gz HMUWBWMCPQDANB-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373379 175365070 /nfs/dbraw/zinc/36/50/70/175365070.db2.gz WFSJTSYIBUAUBD-UXLLHSPISA-N 2 1 297.487 2.378 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[NH+]1CCC(C)CC1 ZINC000045374768 175365546 /nfs/dbraw/zinc/36/55/46/175365546.db2.gz VUAKZUXSGBBQNC-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP CC[NH+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000045375940 175366294 /nfs/dbraw/zinc/36/62/94/175366294.db2.gz JQTVXKOSLAJPGN-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377973 175367644 /nfs/dbraw/zinc/36/76/44/175367644.db2.gz DSKLJIOEBHWURJ-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OC ZINC000045377973 175367645 /nfs/dbraw/zinc/36/76/45/175367645.db2.gz DSKLJIOEBHWURJ-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383835 175371547 /nfs/dbraw/zinc/37/15/47/175371547.db2.gz PFVQNSZOPIDSNY-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383835 175371549 /nfs/dbraw/zinc/37/15/49/175371549.db2.gz PFVQNSZOPIDSNY-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045386011 175372047 /nfs/dbraw/zinc/37/20/47/175372047.db2.gz CMXATUGUKLJJPZ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045386011 175372048 /nfs/dbraw/zinc/37/20/48/175372048.db2.gz CMXATUGUKLJJPZ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP C[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045384758 175372494 /nfs/dbraw/zinc/37/24/94/175372494.db2.gz NIQTXPJRSNADGU-INIZCTEOSA-N 2 1 281.444 2.027 10 0 CEAEMP COC(=O)[C@](C)(CCCC[N@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419927 175377865 /nfs/dbraw/zinc/37/78/65/175377865.db2.gz TWIRZYOAKINZFF-INIZCTEOSA-N 2 1 284.444 2.428 10 0 CEAEMP COC(=O)[C@](C)(CCCC[N@@H+](C)CC1CC1)[NH2+]C(C)C ZINC000045419927 175377867 /nfs/dbraw/zinc/37/78/67/175377867.db2.gz TWIRZYOAKINZFF-INIZCTEOSA-N 2 1 284.444 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000045421016 175379561 /nfs/dbraw/zinc/37/95/61/175379561.db2.gz LBIGAEWAWMJUHA-WFASDCNBSA-N 2 1 272.433 2.414 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+](CCOC)C1CC1 ZINC000071161895 176046218 /nfs/dbraw/zinc/04/62/18/176046218.db2.gz WCSGAWSWYLCRJB-DZGCQCFKSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](CCOC)C1CC1 ZINC000071161895 176046220 /nfs/dbraw/zinc/04/62/20/176046220.db2.gz WCSGAWSWYLCRJB-DZGCQCFKSA-N 2 1 254.418 2.395 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C1(C[NH3+])CCCCCCC1 ZINC000071188561 176062506 /nfs/dbraw/zinc/06/25/06/176062506.db2.gz XCKWCHHIPJEWBS-OAHLLOKOSA-N 2 1 267.461 2.312 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000071188452 176062710 /nfs/dbraw/zinc/06/27/10/176062710.db2.gz ILURUCSGTVNLHA-NHYWBVRUSA-N 2 1 299.821 2.362 10 0 CEAEMP Cc1ccc(C)c([C@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188748 176063606 /nfs/dbraw/zinc/06/36/06/176063606.db2.gz WKODBTBTILBNJR-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP C[C@H]([NH3+])c1c(F)cccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189394 176064877 /nfs/dbraw/zinc/06/48/77/176064877.db2.gz WPIBIPGHDGOWEY-NWDGAFQWSA-N 2 1 265.376 2.233 10 0 CEAEMP CCC[C@@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191426 176070538 /nfs/dbraw/zinc/07/05/38/176070538.db2.gz UYJPXZKFRIMGFT-WBVHZDCISA-N 2 1 281.488 2.428 10 0 CEAEMP CC(C)[NH2+]CC1(CN(C)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191438 176070628 /nfs/dbraw/zinc/07/06/28/176070628.db2.gz OGHQLUZJYFJLMB-MRXNPFEDSA-N 2 1 281.488 2.428 10 0 CEAEMP Cc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191950 176071000 /nfs/dbraw/zinc/07/10/00/176071000.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 2 1 291.439 2.224 10 0 CEAEMP CC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192070 176073617 /nfs/dbraw/zinc/07/36/17/176073617.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 2 1 279.428 2.081 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1C[NH3+])[C@H]1CCSC1 ZINC000071250315 176094813 /nfs/dbraw/zinc/09/48/13/176094813.db2.gz ZCKXUBLTAOMLED-ZDUSSCGKSA-N 2 1 254.374 2.222 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1C[NH3+])CC1CC[NH+](C)CC1 ZINC000071263718 176096725 /nfs/dbraw/zinc/09/67/25/176096725.db2.gz NDPUPYSEIQVHIY-UHFFFAOYSA-N 3 1 279.403 2.058 10 0 CEAEMP CCC[NH2+]CCCCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071290062 176110639 /nfs/dbraw/zinc/11/06/39/176110639.db2.gz OZJMBTXUSSXZDB-INIZCTEOSA-N 3 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071290062 176110640 /nfs/dbraw/zinc/11/06/40/176110640.db2.gz OZJMBTXUSSXZDB-INIZCTEOSA-N 3 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071290062 176110641 /nfs/dbraw/zinc/11/06/41/176110641.db2.gz OZJMBTXUSSXZDB-INIZCTEOSA-N 3 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071290062 176110643 /nfs/dbraw/zinc/11/06/43/176110643.db2.gz OZJMBTXUSSXZDB-INIZCTEOSA-N 2 1 269.477 2.430 10 0 CEAEMP CCC[NH2+]CCCCCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071290062 176110644 /nfs/dbraw/zinc/11/06/44/176110644.db2.gz OZJMBTXUSSXZDB-INIZCTEOSA-N 2 1 269.477 2.430 10 0 CEAEMP CC[N@@H+](CCC[C@H]([NH3+])c1ccccc1)CCOC ZINC000071401853 176153747 /nfs/dbraw/zinc/15/37/47/176153747.db2.gz SIDWCESQRZXPFP-HNNXBMFYSA-N 2 1 250.386 2.435 10 0 CEAEMP CC[C@H]1CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)CC[N@H+]1C ZINC000079294323 177465778 /nfs/dbraw/zinc/46/57/78/177465778.db2.gz BZLBDGSZMRIWQY-GJZGRUSLSA-N 2 1 297.487 2.330 10 0 CEAEMP CCC1CC[NH+]([C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000068638337 519859480 /nfs/dbraw/zinc/85/94/80/519859480.db2.gz STOVSMDHMIDAEV-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](CC)[C@H](C)COC)CCOCC1 ZINC000052182332 519909321 /nfs/dbraw/zinc/90/93/21/519909321.db2.gz QSEHKMRFHVVPBT-OAHLLOKOSA-N 2 1 286.460 2.140 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CCC)C2CC2)O1 ZINC000052449230 519924159 /nfs/dbraw/zinc/92/41/59/519924159.db2.gz HBEPEUBKHQQUIT-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417529 519977264 /nfs/dbraw/zinc/97/72/64/519977264.db2.gz XVANIWHLFFYMTB-CVEARBPZSA-N 2 1 262.397 2.276 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CCC)CC1CC1)C(N)=O ZINC000068632030 520040224 /nfs/dbraw/zinc/04/02/24/520040224.db2.gz MCDVQEYQKPSSLU-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CCC)CC1CC1)C(N)=O ZINC000068632030 520040233 /nfs/dbraw/zinc/04/02/33/520040233.db2.gz MCDVQEYQKPSSLU-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429366 521302324 /nfs/dbraw/zinc/30/23/24/521302324.db2.gz OBTMDNPRNKGBDZ-UHFFFAOYSA-N 2 1 263.385 2.204 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(C[NH2+]C)o1 ZINC000052547283 522092912 /nfs/dbraw/zinc/09/29/12/522092912.db2.gz VHXCJWVPZRJTPB-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182490 522216874 /nfs/dbraw/zinc/21/68/74/522216874.db2.gz LVNDVZRBRUXPDM-CQSZACIVSA-N 2 1 286.460 2.138 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052883063 519617033 /nfs/dbraw/zinc/61/70/33/519617033.db2.gz RPWDEJDVRHFQRY-QGZVFWFLSA-N 2 1 291.439 2.097 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507639 519725306 /nfs/dbraw/zinc/72/53/06/519725306.db2.gz TYVYZWKKNWFRKT-PMPSAXMXSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)[NH2+]Cc1sc(N2CC[NH+](C)CC2)nc1C1CC1 ZINC000069146659 519729954 /nfs/dbraw/zinc/72/99/54/519729954.db2.gz BUPFTWPAPHYTCA-UHFFFAOYSA-N 2 1 294.468 2.270 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[N@@H+](C)C1 ZINC000054602481 519909544 /nfs/dbraw/zinc/90/95/44/519909544.db2.gz VFOFFVUPFUOWQZ-MGNMYUMUSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](CCO)C2CCCCC2)CCOCC1 ZINC000052183193 519912534 /nfs/dbraw/zinc/91/25/34/519912534.db2.gz IGXOFARIAPTJIC-UHFFFAOYSA-N 2 1 298.471 2.020 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180405 519913001 /nfs/dbraw/zinc/91/30/01/519913001.db2.gz AKUMMWIHVYKJSX-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417296 519919958 /nfs/dbraw/zinc/91/99/58/519919958.db2.gz IQTXXCONFLZZCU-MRXNPFEDSA-N 2 1 275.440 2.444 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[NH+]1CCN(CC(C)C)CC1 ZINC000055082916 519920130 /nfs/dbraw/zinc/92/01/30/519920130.db2.gz OQOJYQGGSIAUDJ-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382732 519957424 /nfs/dbraw/zinc/95/74/24/519957424.db2.gz DBEKCBOZSFNUHZ-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382732 519957427 /nfs/dbraw/zinc/95/74/27/519957427.db2.gz DBEKCBOZSFNUHZ-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccccc2C)CCOC1 ZINC000051256425 519958188 /nfs/dbraw/zinc/95/81/88/519958188.db2.gz JHJMUEGJUTUKJM-QGZVFWFLSA-N 2 1 276.424 2.443 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccsc2)O1 ZINC000052457382 519977157 /nfs/dbraw/zinc/97/71/57/519977157.db2.gz WNRHAEJJTIRMOK-KGLIPLIRSA-N 2 1 268.426 2.337 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417527 519978952 /nfs/dbraw/zinc/97/89/52/519978952.db2.gz XVANIWHLFFYMTB-HZPDHXFCSA-N 2 1 262.397 2.276 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2OC)O1 ZINC000052542305 519979644 /nfs/dbraw/zinc/97/96/44/519979644.db2.gz JLTCPMZODCJXHM-HZPDHXFCSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)C1CCN(C)CC1 ZINC000052419936 520007098 /nfs/dbraw/zinc/00/70/98/520007098.db2.gz HNYKSOPZYMSREE-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1CN(C)C1CC[NH+](C)CC1 ZINC000052419936 520007102 /nfs/dbraw/zinc/00/71/02/520007102.db2.gz HNYKSOPZYMSREE-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@H+](C)Cc1ccncc1 ZINC000052480939 520030302 /nfs/dbraw/zinc/03/03/02/520030302.db2.gz BEZORIOPOGXFEV-UHFFFAOYSA-N 2 1 259.353 2.416 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](C)Cc1ccncc1 ZINC000052480939 520030310 /nfs/dbraw/zinc/03/03/10/520030310.db2.gz BEZORIOPOGXFEV-UHFFFAOYSA-N 2 1 259.353 2.416 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643369 520070590 /nfs/dbraw/zinc/07/05/90/520070590.db2.gz HHRSXOMJTHLBRY-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940588 520122861 /nfs/dbraw/zinc/12/28/61/520122861.db2.gz AMLLRLFRCHKOKI-VQHPVUNQSA-N 2 1 279.472 2.323 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](CC)Cc1ccccc1C ZINC000062739590 520517443 /nfs/dbraw/zinc/51/74/43/520517443.db2.gz DWGNQDHLFGMYGO-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)[C@H](C(C)C)C[NH2+]1 ZINC000068700698 520838569 /nfs/dbraw/zinc/83/85/69/520838569.db2.gz VLNLJEFRFIANQM-CVEARBPZSA-N 2 1 278.444 2.290 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@H+](CCCC[NH2+]C(C)C)C1 ZINC000062972329 520847380 /nfs/dbraw/zinc/84/73/80/520847380.db2.gz ZRFNZQZSHFULQL-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@@H+](CCCC[NH2+]C(C)C)C1 ZINC000062972329 520847382 /nfs/dbraw/zinc/84/73/82/520847382.db2.gz ZRFNZQZSHFULQL-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC(C)(C)[N@@H+](C)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000069443609 521304855 /nfs/dbraw/zinc/30/48/55/521304855.db2.gz BKYPRNWGBKNMAQ-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP CCN1CCC([N@@H+](C)Cc2ccccc2C[NH2+]C)CC1 ZINC000052544069 521563603 /nfs/dbraw/zinc/56/36/03/521563603.db2.gz IJHOMDQDKGNVNB-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC(N(C)Cc2ccccc2C[NH2+]C)CC1 ZINC000052544069 521563607 /nfs/dbraw/zinc/56/36/07/521563607.db2.gz IJHOMDQDKGNVNB-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C[NH2+]C)CC1 ZINC000052544069 521563615 /nfs/dbraw/zinc/56/36/15/521563615.db2.gz IJHOMDQDKGNVNB-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C[NH2+]C)CC1 ZINC000052544069 521563622 /nfs/dbraw/zinc/56/36/22/521563622.db2.gz IJHOMDQDKGNVNB-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000061642579 521843347 /nfs/dbraw/zinc/84/33/47/521843347.db2.gz MGUZIWXBJFSQNA-HOTGVXAUSA-N 2 1 261.413 2.103 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000061642579 521843356 /nfs/dbraw/zinc/84/33/56/521843356.db2.gz MGUZIWXBJFSQNA-HOTGVXAUSA-N 2 1 261.413 2.103 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2cccc(C)c2)CCOCC1 ZINC000052198213 521966068 /nfs/dbraw/zinc/96/60/68/521966068.db2.gz GADNZHMLEVJAEH-UHFFFAOYSA-N 2 1 276.424 2.443 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)on1 ZINC000052513708 522104218 /nfs/dbraw/zinc/10/42/18/522104218.db2.gz WYWJVPSYPBMEEI-DGCLKSJQSA-N 2 1 251.374 2.405 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@@H+](C)CC(C)C)c1 ZINC000052452658 522133735 /nfs/dbraw/zinc/13/37/35/522133735.db2.gz XJPLHYGXFKVQOS-UHFFFAOYSA-N 2 1 250.386 2.373 10 0 CEAEMP C[NH2+]Cc1coc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000052573160 522148770 /nfs/dbraw/zinc/14/87/70/522148770.db2.gz OYEYWTRNKYBPDV-GJZGRUSLSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1coc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000052573160 522148777 /nfs/dbraw/zinc/14/87/77/522148777.db2.gz OYEYWTRNKYBPDV-GJZGRUSLSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1occc1C[N@@H+](CCOC)CC(C)C ZINC000052508543 522164795 /nfs/dbraw/zinc/16/47/95/522164795.db2.gz IXHRZXKJVZUCFQ-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP COC(=O)c1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070181955 522212287 /nfs/dbraw/zinc/21/22/87/522212287.db2.gz QRHOSCYKRDVDEF-JSGCOSHPSA-N 2 1 276.380 2.032 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[N@H+](C)C1 ZINC000052853666 522486386 /nfs/dbraw/zinc/48/63/86/522486386.db2.gz MQSZIXUQLMFDMX-GFCCVEGCSA-N 2 1 258.369 2.448 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[N@@H+](C)C1 ZINC000052853666 522486392 /nfs/dbraw/zinc/48/63/92/522486392.db2.gz MQSZIXUQLMFDMX-GFCCVEGCSA-N 2 1 258.369 2.448 10 0 CEAEMP C[N@@H+](CC1(C[NH3+])CCOCC1)C1CCCCCC1 ZINC000052181987 522593132 /nfs/dbraw/zinc/59/31/32/522593132.db2.gz YNDLDDWIEVWVRW-UHFFFAOYSA-N 2 1 254.418 2.397 10 0 CEAEMP C[N@@H+](CCN1CCC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000061275328 522832375 /nfs/dbraw/zinc/83/23/75/522832375.db2.gz RLJAQIPAGZLSHZ-UHFFFAOYSA-N 2 1 287.860 2.129 10 0 CEAEMP C[N@@H+](CCOc1ccccc1C[NH2+]C1CC1)C1CC1 ZINC000052445370 522919982 /nfs/dbraw/zinc/91/99/82/522919982.db2.gz RYQVUFTVLKOWGN-UHFFFAOYSA-N 2 1 260.381 2.412 10 0 CEAEMP C[N@H+](Cc1cc(F)ccc1C[NH3+])CC1CC[NH+](C)CC1 ZINC000069401684 523179770 /nfs/dbraw/zinc/17/97/70/523179770.db2.gz UIKGYIWIWLJDFD-UHFFFAOYSA-N 3 1 279.403 2.058 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571125 523507043 /nfs/dbraw/zinc/50/70/43/523507043.db2.gz QGXUDVXEZJGVOT-KCQAQPDRSA-N 2 1 254.418 2.406 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570903 523507079 /nfs/dbraw/zinc/50/70/79/523507079.db2.gz ABCCAKXZNCJHDW-SMDDNHRTSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570903 523507086 /nfs/dbraw/zinc/50/70/86/523507086.db2.gz ABCCAKXZNCJHDW-SMDDNHRTSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571123 523516954 /nfs/dbraw/zinc/51/69/54/523516954.db2.gz QGXUDVXEZJGVOT-GZBFAFLISA-N 2 1 254.418 2.406 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571291 523517181 /nfs/dbraw/zinc/51/71/81/523517181.db2.gz SOBJLPNAAOGTKZ-CHWSQXEVSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571291 523517186 /nfs/dbraw/zinc/51/71/86/523517186.db2.gz SOBJLPNAAOGTKZ-CHWSQXEVSA-N 2 1 266.385 2.307 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052572807 523620488 /nfs/dbraw/zinc/62/04/88/523620488.db2.gz TUMVCSVXQDVOET-UHFFFAOYSA-N 2 1 254.374 2.164 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C(N)=[NH2+])cc2)[C@@H]1C ZINC000050565074 524230772 /nfs/dbraw/zinc/23/07/72/524230772.db2.gz KCJKQDDFUUQNAK-CHWSQXEVSA-N 2 1 275.396 2.470 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)Cc1cscn1 ZINC000052503845 524458525 /nfs/dbraw/zinc/45/85/25/524458525.db2.gz FGZZKQMYUIDRMA-NSHDSACASA-N 2 1 253.415 2.496 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)Cc1cscn1 ZINC000052503845 524458535 /nfs/dbraw/zinc/45/85/35/524458535.db2.gz FGZZKQMYUIDRMA-NSHDSACASA-N 2 1 253.415 2.496 10 0 CEAEMP C[C@@H]1COCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052476105 525127056 /nfs/dbraw/zinc/12/70/56/525127056.db2.gz BIFHMQYUJSDBLD-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1COCC[N@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052476105 525127066 /nfs/dbraw/zinc/12/70/66/525127066.db2.gz BIFHMQYUJSDBLD-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052420724 525383704 /nfs/dbraw/zinc/38/37/04/525383704.db2.gz FWHIHCRUKOCVCS-OKILXGFUSA-N 2 1 293.459 2.144 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc4ccccc4s3)C[C@H]12 ZINC000261670011 623428106 /nfs/dbraw/zinc/42/81/06/623428106.db2.gz ZZINYJUPGGCXQX-GRYCIOLGSA-N 2 1 273.405 2.465 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4ccccc4s3)C[C@H]12 ZINC000261670011 623428111 /nfs/dbraw/zinc/42/81/11/623428111.db2.gz ZZINYJUPGGCXQX-GRYCIOLGSA-N 2 1 273.405 2.465 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCCCCC[NH3+] ZINC000094440849 624145855 /nfs/dbraw/zinc/14/58/55/624145855.db2.gz KIOJIMPLWLOSNC-LSDHHAIUSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCCCC[NH3+] ZINC000094440849 624145858 /nfs/dbraw/zinc/14/58/58/624145858.db2.gz KIOJIMPLWLOSNC-LSDHHAIUSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCCCCC[NH3+] ZINC000094440849 624145861 /nfs/dbraw/zinc/14/58/61/624145861.db2.gz KIOJIMPLWLOSNC-LSDHHAIUSA-N 2 1 253.434 2.064 10 0 CEAEMP C[C@@H](CC[NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399082518 628774118 /nfs/dbraw/zinc/77/41/18/628774118.db2.gz QBBSBOJGPZJBGG-HNNXBMFYSA-N 2 1 276.424 2.227 10 0 CEAEMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000261557319 628937949 /nfs/dbraw/zinc/93/79/49/628937949.db2.gz CNCHXRSRWVLMAY-KBUPBQIOSA-N 2 1 252.402 2.018 10 0 CEAEMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261905724 629310086 /nfs/dbraw/zinc/31/00/86/629310086.db2.gz IEJJHBAHDUNSQD-NUEKZKHPSA-N 2 1 278.371 2.072 10 0 CEAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262801 539211640 /nfs/dbraw/zinc/21/16/40/539211640.db2.gz RZDHXEUOPAANJN-NEPJUHHUSA-N 2 1 258.287 2.500 10 0 CEAEMP CC(C)(C)OC(=O)c1cccc([C@H]2CC[NH2+]C[C@H]2[NH3+])c1 ZINC000725270907 539215208 /nfs/dbraw/zinc/21/52/08/539215208.db2.gz UYFYCCKTDJMKPO-ZIAGYGMSSA-N 2 1 276.380 2.046 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)c1 ZINC000399116667 344856924 /nfs/dbraw/zinc/85/69/24/344856924.db2.gz NAXWCGQMZSYYRI-CQSZACIVSA-N 2 1 262.397 2.102 10 0 CEAEMP CCC[C@H]1C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085523436 179088755 /nfs/dbraw/zinc/08/87/55/179088755.db2.gz XWTZZHQBEYXSOP-HOTGVXAUSA-N 2 1 276.428 2.044 10 0 CEAEMP C[C@H]([NH3+])c1nc(C[NH2+]CCC(F)(F)F)cs1 ZINC000085550429 179093055 /nfs/dbraw/zinc/09/30/55/179093055.db2.gz BWIFZKWGHHRQGJ-LURJTMIESA-N 2 1 253.293 2.205 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626730 179106608 /nfs/dbraw/zinc/10/66/08/179106608.db2.gz ONYIYUGTBSCRGM-DGCLKSJQSA-N 2 1 294.361 2.418 10 0 CEAEMP COCCC[N@H+]1C[C@@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618753 179103566 /nfs/dbraw/zinc/10/35/66/179103566.db2.gz VPPGOTOLGVRJHN-DOTOQJQBSA-N 2 1 276.424 2.318 10 0 CEAEMP C[N@H+](CC[C@@H]1CSCC[NH2+]1)Cc1cccs1 ZINC000085615399 179104777 /nfs/dbraw/zinc/10/47/77/179104777.db2.gz AVZRCYUMEXCRGW-LLVKDONJSA-N 2 1 256.440 2.275 10 0 CEAEMP C[N@@H+](CC[C@@H]1CSCC[NH2+]1)Cc1cccs1 ZINC000085615399 179104779 /nfs/dbraw/zinc/10/47/79/179104779.db2.gz AVZRCYUMEXCRGW-LLVKDONJSA-N 2 1 256.440 2.275 10 0 CEAEMP CCC1(CC)C[N@@H+](CCn2ccnc2C)[C@H](C)CC[NH2+]1 ZINC000085627891 179107470 /nfs/dbraw/zinc/10/74/70/179107470.db2.gz DHOJNHJAWUHRAV-CQSZACIVSA-N 2 1 278.444 2.434 10 0 CEAEMP CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086173645 179244939 /nfs/dbraw/zinc/24/49/39/179244939.db2.gz PWPQJRXFINJFFV-CVEARBPZSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086173645 179244940 /nfs/dbraw/zinc/24/49/40/179244940.db2.gz PWPQJRXFINJFFV-CVEARBPZSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086174170 179245768 /nfs/dbraw/zinc/24/57/68/179245768.db2.gz UURGXJOOHOPTBW-IKGGRYGDSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CC(CC)(CC)[NH2+]C[C@@H]2C)C1 ZINC000086223037 179250627 /nfs/dbraw/zinc/25/06/27/179250627.db2.gz DRTNNDRVUMVQLU-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223023 179250637 /nfs/dbraw/zinc/25/06/37/179250637.db2.gz BJRDWAXKBJZAIU-HUUCEWRRSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223012 179250798 /nfs/dbraw/zinc/25/07/98/179250798.db2.gz AWFHLZPDJFJBRU-OAGGEKHMSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086223020 179250940 /nfs/dbraw/zinc/25/09/40/179250940.db2.gz JQOGUJIEFHSRGY-HOTGVXAUSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223149 179252139 /nfs/dbraw/zinc/25/21/39/179252139.db2.gz NBFPUDZFMMRNHI-JZXOWHBKSA-N 2 1 287.451 2.147 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223135 179252312 /nfs/dbraw/zinc/25/23/12/179252312.db2.gz OCPPGAMPWPXDEJ-NJAFHUGGSA-N 2 1 287.451 2.363 10 0 CEAEMP CC(C)C[C@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224009 179253141 /nfs/dbraw/zinc/25/31/41/179253141.db2.gz DPEHHATZXOFKMK-BBWFWOEESA-N 2 1 281.488 2.425 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259197 179257702 /nfs/dbraw/zinc/25/77/02/179257702.db2.gz MSFHGSRIGSZLDM-NUJGCVRESA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259253 179258134 /nfs/dbraw/zinc/25/81/34/179258134.db2.gz HYNWJZRMDACYCO-HZPDHXFCSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259589 179258308 /nfs/dbraw/zinc/25/83/08/179258308.db2.gz OVCHMINBZTYZQS-OIISXLGYSA-N 2 1 277.456 2.076 10 0 CEAEMP CCC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259124 179258793 /nfs/dbraw/zinc/25/87/93/179258793.db2.gz IGXKDZHOFUQRET-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CCC[C@H]1CN(CC2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086259124 179258794 /nfs/dbraw/zinc/25/87/94/179258794.db2.gz IGXKDZHOFUQRET-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259639 179259532 /nfs/dbraw/zinc/25/95/32/179259532.db2.gz KHRMSLAAGLMISC-GDBMZVCRSA-N 2 1 277.456 2.220 10 0 CEAEMP CC(C)[C@H]1CN[C@H](C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261062 179259860 /nfs/dbraw/zinc/25/98/60/179259860.db2.gz LDCLFJYJWFZDJN-JKSUJKDBSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCCC[NH+](C)C ZINC000086261062 179259861 /nfs/dbraw/zinc/25/98/61/179259861.db2.gz LDCLFJYJWFZDJN-JKSUJKDBSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1CNC(C)(C)C[N@H+]1CCCC[NH+](C)C ZINC000086261067 179259926 /nfs/dbraw/zinc/25/99/26/179259926.db2.gz QUDOYCDJUFJJIX-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCCC[NH+](C)C ZINC000086261067 179259928 /nfs/dbraw/zinc/25/99/28/179259928.db2.gz QUDOYCDJUFJJIX-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]1CN[C@H](c2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086261032 179260336 /nfs/dbraw/zinc/26/03/36/179260336.db2.gz HVXLCQWBUPARNM-RDJZCZTQSA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1CCCC[NH+](C)C ZINC000086261032 179260340 /nfs/dbraw/zinc/26/03/40/179260340.db2.gz HVXLCQWBUPARNM-RDJZCZTQSA-N 2 1 275.440 2.363 10 0 CEAEMP CCOCCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086286245 179264127 /nfs/dbraw/zinc/26/41/27/179264127.db2.gz UJKFJTKMQRMBGA-QGZVFWFLSA-N 2 1 276.424 2.320 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086289438 179264859 /nfs/dbraw/zinc/26/48/59/179264859.db2.gz QVWIEUAKANVSDK-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@](C)(CC)C2)CC1 ZINC000086291508 179266751 /nfs/dbraw/zinc/26/67/51/179266751.db2.gz NKXVEQJGQYOFIS-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@](C)(CC)C2)CC1 ZINC000086291508 179266753 /nfs/dbraw/zinc/26/67/53/179266753.db2.gz NKXVEQJGQYOFIS-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP COCCCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086291739 179266778 /nfs/dbraw/zinc/26/67/78/179266778.db2.gz UTXXFUNTWXJOHP-QGZVFWFLSA-N 2 1 276.424 2.320 10 0 CEAEMP Cc1ccc(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)cn1 ZINC000086296264 179267913 /nfs/dbraw/zinc/26/79/13/179267913.db2.gz OTGJUBKMNQMCET-INIZCTEOSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1ccc(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)cn1 ZINC000086296264 179267914 /nfs/dbraw/zinc/26/79/14/179267914.db2.gz OTGJUBKMNQMCET-INIZCTEOSA-N 2 1 259.397 2.354 10 0 CEAEMP CCC[C@@H]1C[N@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296768 179267919 /nfs/dbraw/zinc/26/79/19/179267919.db2.gz FWUZZIFLBWAZMM-CYBMUJFWSA-N 2 1 267.442 2.458 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296768 179267922 /nfs/dbraw/zinc/26/79/22/179267922.db2.gz FWUZZIFLBWAZMM-CYBMUJFWSA-N 2 1 267.442 2.458 10 0 CEAEMP Cc1cccc(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000086293951 179268022 /nfs/dbraw/zinc/26/80/22/179268022.db2.gz TUJJFXMYVOFNBF-UHFFFAOYSA-N 2 1 259.397 2.498 10 0 CEAEMP Cc1cccc(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000086293951 179268024 /nfs/dbraw/zinc/26/80/24/179268024.db2.gz TUJJFXMYVOFNBF-UHFFFAOYSA-N 2 1 259.397 2.498 10 0 CEAEMP CCC[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293854 179268197 /nfs/dbraw/zinc/26/81/97/179268197.db2.gz RBMJTKYIAVYNDE-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP CCC[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293854 179268199 /nfs/dbraw/zinc/26/81/99/179268199.db2.gz RBMJTKYIAVYNDE-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP C[NH+](C)Cc1nc2cc(C[NH3+])ccc2n1C(C)(C)C ZINC000086642004 179315286 /nfs/dbraw/zinc/31/52/86/179315286.db2.gz ILPPPTGRQFXMCM-UHFFFAOYSA-N 2 1 260.385 2.312 10 0 CEAEMP C[C@@H]1CCC[C@@]1(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000086677173 179319392 /nfs/dbraw/zinc/31/93/92/179319392.db2.gz UQYFLFSAVWRVSZ-WBVHZDCISA-N 2 1 279.472 2.312 10 0 CEAEMP Cc1ccccc1CN(C)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819349 179347884 /nfs/dbraw/zinc/34/78/84/179347884.db2.gz URJXWCJJWXRSLH-KRWDZBQOSA-N 2 1 275.440 2.240 10 0 CEAEMP Cc1ccccc1CN(C)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819348 179347888 /nfs/dbraw/zinc/34/78/88/179347888.db2.gz URJXWCJJWXRSLH-QGZVFWFLSA-N 2 1 275.440 2.240 10 0 CEAEMP CN(c1cccc(F)c1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819530 179348320 /nfs/dbraw/zinc/34/83/20/179348320.db2.gz JQXJDQLFXRYEJW-OAHLLOKOSA-N 2 1 265.376 2.075 10 0 CEAEMP C[N@H+]1CCC[C@@](C[NH3+])(N2CCCc3ccccc3C2)CC1 ZINC000086819590 179348569 /nfs/dbraw/zinc/34/85/69/179348569.db2.gz LVGVTTQPRSVPKP-GOSISDBHSA-N 2 1 287.451 2.248 10 0 CEAEMP Cc1ccccc1N(C)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819522 179348617 /nfs/dbraw/zinc/34/86/17/179348617.db2.gz PPOSPHYXHMYUPE-MRXNPFEDSA-N 2 1 261.413 2.244 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086819479 179348635 /nfs/dbraw/zinc/34/86/35/179348635.db2.gz TVVRXSICLKGDFS-INIZCTEOSA-N 2 1 277.412 2.057 10 0 CEAEMP CN(C1CCCCC1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819220 179348663 /nfs/dbraw/zinc/34/86/63/179348663.db2.gz LDSOKWDZEOAZQV-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CN(C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086817386 179344627 /nfs/dbraw/zinc/34/46/27/179344627.db2.gz BHEMYTGDGHUXKT-KGLIPLIRSA-N 2 1 281.469 2.425 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)c1cccs1 ZINC000086817386 179344629 /nfs/dbraw/zinc/34/46/29/179344629.db2.gz BHEMYTGDGHUXKT-KGLIPLIRSA-N 2 1 281.469 2.425 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086817386 179344632 /nfs/dbraw/zinc/34/46/32/179344632.db2.gz BHEMYTGDGHUXKT-KGLIPLIRSA-N 2 1 281.469 2.425 10 0 CEAEMP COc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086817034 179344791 /nfs/dbraw/zinc/34/47/91/179344791.db2.gz IXKSDWGYBIIEKY-OAHLLOKOSA-N 2 1 292.423 2.320 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(OC)c2)CC1 ZINC000086848311 179356520 /nfs/dbraw/zinc/35/65/20/179356520.db2.gz OGBVHIRWCVUGKQ-KRWDZBQOSA-N 2 1 291.439 2.335 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CCOC)[C@@H](C)CC)CC1 ZINC000086848101 179357198 /nfs/dbraw/zinc/35/71/98/179357198.db2.gz SYSGWHGXYPNQRM-DLBZAZTESA-N 2 1 299.503 2.327 10 0 CEAEMP CCN(Cc1ccncc1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847950 179357364 /nfs/dbraw/zinc/35/73/64/179357364.db2.gz YIJQQVCTHOQPCW-KRWDZBQOSA-N 2 1 290.455 2.107 10 0 CEAEMP CC(C)[C@H](CN[C@@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836663 179351520 /nfs/dbraw/zinc/35/15/20/179351520.db2.gz BCPHVCUNPDVSDE-CVEARBPZSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836300 179351939 /nfs/dbraw/zinc/35/19/39/179351939.db2.gz NWJXXSYMHHMLRE-CQSZACIVSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836300 179351941 /nfs/dbraw/zinc/35/19/41/179351941.db2.gz NWJXXSYMHHMLRE-CQSZACIVSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836300 179351943 /nfs/dbraw/zinc/35/19/43/179351943.db2.gz NWJXXSYMHHMLRE-CQSZACIVSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843339 179352645 /nfs/dbraw/zinc/35/26/45/179352645.db2.gz LEHINKUAJQPYLN-INIZCTEOSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843342 179352651 /nfs/dbraw/zinc/35/26/51/179352651.db2.gz LEHINKUAJQPYLN-MRXNPFEDSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842363 179352803 /nfs/dbraw/zinc/35/28/03/179352803.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@H](NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000086842363 179352806 /nfs/dbraw/zinc/35/28/06/179352806.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@H](NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000086842363 179352807 /nfs/dbraw/zinc/35/28/07/179352807.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842363 179352809 /nfs/dbraw/zinc/35/28/09/179352809.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842363 179352811 /nfs/dbraw/zinc/35/28/11/179352811.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000086842363 179352813 /nfs/dbraw/zinc/35/28/13/179352813.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000086842363 179352816 /nfs/dbraw/zinc/35/28/16/179352816.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842026 179353622 /nfs/dbraw/zinc/35/36/22/179353622.db2.gz ASFNLVSOTXXLRO-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000086842026 179353623 /nfs/dbraw/zinc/35/36/23/179353623.db2.gz ASFNLVSOTXXLRO-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000086842026 179353624 /nfs/dbraw/zinc/35/36/24/179353624.db2.gz ASFNLVSOTXXLRO-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842023 179353842 /nfs/dbraw/zinc/35/38/42/179353842.db2.gz ASFNLVSOTXXLRO-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000086842023 179353844 /nfs/dbraw/zinc/35/38/44/179353844.db2.gz ASFNLVSOTXXLRO-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)CC1 ZINC000086842023 179353846 /nfs/dbraw/zinc/35/38/46/179353846.db2.gz ASFNLVSOTXXLRO-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846270 179354388 /nfs/dbraw/zinc/35/43/88/179354388.db2.gz MJSDICDNMCXQEN-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846270 179354390 /nfs/dbraw/zinc/35/43/90/179354390.db2.gz MJSDICDNMCXQEN-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846270 179354391 /nfs/dbraw/zinc/35/43/91/179354391.db2.gz MJSDICDNMCXQEN-OAHLLOKOSA-N 2 1 253.434 2.066 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2)CC1 ZINC000086846216 179354868 /nfs/dbraw/zinc/35/48/68/179354868.db2.gz WXOPVYAWSFCMMY-MRXNPFEDSA-N 2 1 261.413 2.326 10 0 CEAEMP CC(C)CN(C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846810 179355420 /nfs/dbraw/zinc/35/54/20/179355420.db2.gz RVRNECAUJPFKIX-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@H+](C)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846810 179355422 /nfs/dbraw/zinc/35/54/22/179355422.db2.gz RVRNECAUJPFKIX-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[N@@H+](C)[C@]1(CN)CCC[NH+](C(C)C)CC1 ZINC000086846810 179355426 /nfs/dbraw/zinc/35/54/26/179355426.db2.gz RVRNECAUJPFKIX-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C)[C@]1(CN)CCC[N@@H+](C(C)C)CC1 ZINC000086846810 179355428 /nfs/dbraw/zinc/35/54/28/179355428.db2.gz RVRNECAUJPFKIX-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CC(C)C[NH+](C)[C@]1(CN)CCC[N@H+](C(C)C)CC1 ZINC000086846810 179355429 /nfs/dbraw/zinc/35/54/29/179355429.db2.gz RVRNECAUJPFKIX-OAHLLOKOSA-N 2 1 255.450 2.166 10 0 CEAEMP CCC[N@@H+]1CCC[C@](O)(c2c(C)cc[nH+]c2N)CC1 ZINC000086852741 179359892 /nfs/dbraw/zinc/35/98/92/179359892.db2.gz MLPOOIDEFLMMHK-OAHLLOKOSA-N 2 1 263.385 2.056 10 0 CEAEMP CCC[N@H+]1CCC[C@](O)(c2c(C)cc[nH+]c2N)CC1 ZINC000086852741 179359894 /nfs/dbraw/zinc/35/98/94/179359894.db2.gz MLPOOIDEFLMMHK-OAHLLOKOSA-N 2 1 263.385 2.056 10 0 CEAEMP Cc1cc[nH+]c(N)c1[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867653 179360862 /nfs/dbraw/zinc/36/08/62/179360862.db2.gz AJGZDTMTEIVIJO-OAHLLOKOSA-N 2 1 263.385 2.054 10 0 CEAEMP Cc1cc[nH+]c(N)c1[C@@]1(O)CCC[N@H+](C(C)C)CC1 ZINC000086867653 179360863 /nfs/dbraw/zinc/36/08/63/179360863.db2.gz AJGZDTMTEIVIJO-OAHLLOKOSA-N 2 1 263.385 2.054 10 0 CEAEMP CC(C)[C@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952105 179368647 /nfs/dbraw/zinc/36/86/47/179368647.db2.gz QOQCCWMEXLJLRX-JKSUJKDBSA-N 2 1 268.445 2.249 10 0 CEAEMP COCC[N@@H+](C)[C@@]1(C[NH3+])CCC[C@@H](C(C)C)CC1 ZINC000086948469 179369079 /nfs/dbraw/zinc/36/90/79/179369079.db2.gz SZRQJYUIYNYQNP-CABCVRRESA-N 2 1 256.434 2.498 10 0 CEAEMP CCC(O)(CC)C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000087015073 179379611 /nfs/dbraw/zinc/37/96/11/179379611.db2.gz HLIXJTHETJOICW-CQSZACIVSA-N 2 1 256.434 2.390 10 0 CEAEMP C[NH2+][C@@H](CSC(C)(C)C)Cc1c[nH+]ccc1N ZINC000087117743 179395388 /nfs/dbraw/zinc/39/53/88/179395388.db2.gz CVLTZGLWFHPCJT-LLVKDONJSA-N 2 1 253.415 2.326 10 0 CEAEMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132922 179714255 /nfs/dbraw/zinc/71/42/55/179714255.db2.gz BMSSHOBVKIRLHS-BFHYXJOUSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+](C)Cc1cccs1 ZINC000090566143 180005360 /nfs/dbraw/zinc/00/53/60/180005360.db2.gz KFRXVKXNLAMYJR-JSGCOSHPSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)Cc1cccs1 ZINC000090566143 180005361 /nfs/dbraw/zinc/00/53/61/180005361.db2.gz KFRXVKXNLAMYJR-JSGCOSHPSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCC[C@@H]1C(C)C ZINC000090567280 180006290 /nfs/dbraw/zinc/00/62/90/180006290.db2.gz ZDCGFNRMMGYZMC-RRFJBIMHSA-N 2 1 254.418 2.121 10 0 CEAEMP C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000090693901 180025924 /nfs/dbraw/zinc/02/59/24/180025924.db2.gz CWNDHUBMVZOLGA-QLFBSQMISA-N 2 1 252.402 2.020 10 0 CEAEMP CCCCOCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693660 180026162 /nfs/dbraw/zinc/02/61/62/180026162.db2.gz KGHASBVWGGUYQR-HUUCEWRRSA-N 2 1 254.418 2.267 10 0 CEAEMP CCCCOCC[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694385 180026208 /nfs/dbraw/zinc/02/62/08/180026208.db2.gz JYIWUPUVAJUQQR-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP [NH3+]CC[N@H+](C[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090874075 180050185 /nfs/dbraw/zinc/05/01/85/180050185.db2.gz RFZLUYLHNBSPHH-OAHLLOKOSA-N 2 1 260.381 2.193 10 0 CEAEMP [NH3+]CC[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090874075 180050187 /nfs/dbraw/zinc/05/01/87/180050187.db2.gz RFZLUYLHNBSPHH-OAHLLOKOSA-N 2 1 260.381 2.193 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000090874509 180050387 /nfs/dbraw/zinc/05/03/87/180050387.db2.gz CJWQRBNLZXCPNZ-HOCLYGCPSA-N 2 1 274.408 2.310 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893525 180054936 /nfs/dbraw/zinc/05/49/36/180054936.db2.gz WKCBLJBWOBGACM-WFASDCNBSA-N 2 1 278.371 2.061 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893525 180054940 /nfs/dbraw/zinc/05/49/40/180054940.db2.gz WKCBLJBWOBGACM-WFASDCNBSA-N 2 1 278.371 2.061 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@@H+](CCC[NH3+])C1CC1)O2 ZINC000090896978 180057034 /nfs/dbraw/zinc/05/70/34/180057034.db2.gz JVJQLGIPBXDYCT-OAHLLOKOSA-N 2 1 260.381 2.112 10 0 CEAEMP C[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958810 180075520 /nfs/dbraw/zinc/07/55/20/180075520.db2.gz DMBPZBSTJMFWHH-MNOVXSKESA-N 2 1 253.415 2.265 10 0 CEAEMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019712 180087843 /nfs/dbraw/zinc/08/78/43/180087843.db2.gz ZIKCNQZROGGSMR-ZDUSSCGKSA-N 2 1 258.369 2.266 10 0 CEAEMP C[C@@H](c1ccccc1F)[N@@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091314176 180133916 /nfs/dbraw/zinc/13/39/16/180133916.db2.gz TVPSCFTWIRVESS-QWHCGFSZSA-N 2 1 266.360 2.197 10 0 CEAEMP CCC[N@@H+]1CC[C@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275430 180118919 /nfs/dbraw/zinc/11/89/19/180118919.db2.gz BOWYKKJGOUNBQK-IUODEOHRSA-N 2 1 262.401 2.210 10 0 CEAEMP CCC[N@H+]1CC[C@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275430 180118921 /nfs/dbraw/zinc/11/89/21/180118921.db2.gz BOWYKKJGOUNBQK-IUODEOHRSA-N 2 1 262.401 2.210 10 0 CEAEMP COc1ccc(C[N@H+](C)CC[C@H]2CSCC[NH2+]2)cc1 ZINC000091292074 180123908 /nfs/dbraw/zinc/12/39/08/180123908.db2.gz OSXJVBOHGUSPJK-AWEZNQCLSA-N 2 1 280.437 2.222 10 0 CEAEMP COc1ccc(C[N@@H+](C)CC[C@H]2CSCC[NH2+]2)cc1 ZINC000091292074 180123910 /nfs/dbraw/zinc/12/39/10/180123910.db2.gz OSXJVBOHGUSPJK-AWEZNQCLSA-N 2 1 280.437 2.222 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091432947 180153829 /nfs/dbraw/zinc/15/38/29/180153829.db2.gz GSCIKABSFLEOMM-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]CCCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091432947 180153830 /nfs/dbraw/zinc/15/38/30/180153830.db2.gz GSCIKABSFLEOMM-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC(CC)n1ccc(C[N@@H+](C)CC2CC([NH3+])C2)n1 ZINC000091474765 180165266 /nfs/dbraw/zinc/16/52/66/180165266.db2.gz YAPBHZZSCYBESW-UHFFFAOYSA-N 2 1 264.417 2.413 10 0 CEAEMP C[C@H](O)C(C)(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000091405782 180147866 /nfs/dbraw/zinc/14/78/66/180147866.db2.gz WOMFTOIMBFCPDR-AWEZNQCLSA-N 2 1 268.445 2.344 10 0 CEAEMP CC[C@@](C)([C@@H]([NH3+])Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604451 180203163 /nfs/dbraw/zinc/20/31/63/180203163.db2.gz UQPORGAQIQSKES-HOCLYGCPSA-N 2 1 293.459 2.068 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609745 180205877 /nfs/dbraw/zinc/20/58/77/180205877.db2.gz LHRNBRIKZZXRPL-WBVHZDCISA-N 2 1 290.455 2.449 10 0 CEAEMP C[NH2+][C@H](CC[C@@H]1CCCO1)C(C)(C)[NH+]1CCCC1 ZINC000091534548 180181331 /nfs/dbraw/zinc/18/13/31/180181331.db2.gz BCACUXIIJDDZTR-UONOGXRCSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCC1 ZINC000091535717 180182379 /nfs/dbraw/zinc/18/23/79/180182379.db2.gz AQLQOYVZLSRROI-HNNXBMFYSA-N 2 1 276.428 2.059 10 0 CEAEMP CCC(CC)([C@H]([NH3+])Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091634892 180211472 /nfs/dbraw/zinc/21/14/72/180211472.db2.gz WNEFSFBYTCCTJB-OAHLLOKOSA-N 2 1 278.444 2.253 10 0 CEAEMP C[NH+](C)C1([C@@H](O)c2c[nH+]ccc2N)CCCCCC1 ZINC000091654014 180217175 /nfs/dbraw/zinc/21/71/75/180217175.db2.gz WZNKOQRCSYSIRW-AWEZNQCLSA-N 2 1 263.385 2.352 10 0 CEAEMP [NH3+][C@H](Cc1cccc(Cl)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720800 180235621 /nfs/dbraw/zinc/23/56/21/180235621.db2.gz ORPPNBCYXMVOLW-RBSFLKMASA-N 2 1 280.799 2.073 10 0 CEAEMP [NH3+][C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720470 180236306 /nfs/dbraw/zinc/23/63/06/180236306.db2.gz ZWTVDZGFWTWMPB-KMUNFCNLSA-N 2 1 298.789 2.212 10 0 CEAEMP [NH3+][C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720470 180236307 /nfs/dbraw/zinc/23/63/07/180236307.db2.gz ZWTVDZGFWTWMPB-KMUNFCNLSA-N 2 1 298.789 2.212 10 0 CEAEMP Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C1CC1 ZINC000091723152 180242511 /nfs/dbraw/zinc/24/25/11/180242511.db2.gz LFKIHHXDPBCYTJ-OLZOCXBDSA-N 2 1 293.436 2.239 10 0 CEAEMP CCC[N@@H+]([C@H](C)C(=O)N(CC)CC)C1CCC([NH3+])CC1 ZINC000091852535 180272665 /nfs/dbraw/zinc/27/26/65/180272665.db2.gz WFZLKWRAKQCEFR-WLYUNCDWSA-N 2 1 283.460 2.225 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2ccc(F)cc2)CC1 ZINC000091870548 180277174 /nfs/dbraw/zinc/27/71/74/180277174.db2.gz YFPKNZWUALKWPE-UHFFFAOYSA-N 2 1 293.386 2.227 10 0 CEAEMP C[N@H+]1CC[C@](O)(C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000091907211 180283808 /nfs/dbraw/zinc/28/38/08/180283808.db2.gz LTNALCXSBJFBPK-AVVWSFFYSA-N 2 1 268.445 2.234 10 0 CEAEMP C[NH2+][C@@H](C)c1ccc(SC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092080067 180318528 /nfs/dbraw/zinc/31/85/28/180318528.db2.gz JBGUXCZPGXZDPQ-JSGCOSHPSA-N 2 1 280.437 2.390 10 0 CEAEMP C[NH2+][C@@H](C)c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080067 180318529 /nfs/dbraw/zinc/31/85/29/180318529.db2.gz JBGUXCZPGXZDPQ-JSGCOSHPSA-N 2 1 280.437 2.390 10 0 CEAEMP CC(C)[C@H]1CSC(NC[C@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000092402535 180378478 /nfs/dbraw/zinc/37/84/78/180378478.db2.gz XILXXOAOKYIWKW-CHWSQXEVSA-N 2 1 269.458 2.434 10 0 CEAEMP C[N@@H+](Cc1cccc2c1NCC2)C[C@@H]1CC[NH+](C)C1 ZINC000130557246 365968383 /nfs/dbraw/zinc/96/83/83/365968383.db2.gz LJCUXCSNIYUWJM-CYBMUJFWSA-N 2 1 259.397 2.038 10 0 CEAEMP C[N@H+](Cc1cccc2c1NCC2)C[C@@H]1CC[NH+](C)C1 ZINC000130557246 365968389 /nfs/dbraw/zinc/96/83/89/365968389.db2.gz LJCUXCSNIYUWJM-CYBMUJFWSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1cccc2c1NCC2)C[C@@H]1CC[N@H+](C)C1 ZINC000130557246 365968393 /nfs/dbraw/zinc/96/83/93/365968393.db2.gz LJCUXCSNIYUWJM-CYBMUJFWSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1cccc2c1NCC2)C[C@@H]1CC[N@@H+](C)C1 ZINC000130557246 365968398 /nfs/dbraw/zinc/96/83/98/365968398.db2.gz LJCUXCSNIYUWJM-CYBMUJFWSA-N 2 1 259.397 2.038 10 0 CEAEMP CCCN1CC[NH+](CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000109412530 186251475 /nfs/dbraw/zinc/25/14/75/186251475.db2.gz SKZZDZIBAMKVLY-QGZVFWFLSA-N 2 1 275.440 2.494 10 0 CEAEMP [NH3+]C1CCC(C[N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000110371198 186294360 /nfs/dbraw/zinc/29/43/60/186294360.db2.gz HXWGDNLVJFWREH-UYSNPLJNSA-N 2 1 265.445 2.064 10 0 CEAEMP CN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000110926422 186333261 /nfs/dbraw/zinc/33/32/61/186333261.db2.gz YYNBQKSWHOOWKA-QZTJIDSGSA-N 2 1 287.451 2.335 10 0 CEAEMP CCCN(CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000110945674 186336056 /nfs/dbraw/zinc/33/60/56/186336056.db2.gz OGLRRFPEIQEULA-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP Cc1cccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704716 186313952 /nfs/dbraw/zinc/31/39/52/186313952.db2.gz UQQQEDVDVVNXHW-HNNXBMFYSA-N 2 1 261.413 2.021 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110701710 186315065 /nfs/dbraw/zinc/31/50/65/186315065.db2.gz RHQJUNFEISYOSG-YWPYICTPSA-N 2 1 281.831 2.364 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000110717093 186315484 /nfs/dbraw/zinc/31/54/84/186315484.db2.gz UZVGRIGUUHJOEY-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1C ZINC000110708919 186315498 /nfs/dbraw/zinc/31/54/98/186315498.db2.gz BIWVYQVCNYAMPM-XQLPTFJDSA-N 2 1 291.439 2.429 10 0 CEAEMP C[N@H+]1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC1(C)C ZINC000110716454 186316343 /nfs/dbraw/zinc/31/63/43/186316343.db2.gz IUCPEJFNJJBIFM-SJORKVTESA-N 2 1 287.451 2.417 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000110724246 186317145 /nfs/dbraw/zinc/31/71/45/186317145.db2.gz OXHQACVQMFTUJN-UHFFFAOYSA-N 2 1 283.460 2.084 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110724246 186317147 /nfs/dbraw/zinc/31/71/47/186317147.db2.gz OXHQACVQMFTUJN-UHFFFAOYSA-N 2 1 283.460 2.084 10 0 CEAEMP CCC[NH2+]C[C@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110755118 186320993 /nfs/dbraw/zinc/32/09/93/186320993.db2.gz GVVDLJRRMFVHLG-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CCOCC[N@H+](CC)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000111123914 186354676 /nfs/dbraw/zinc/35/46/76/186354676.db2.gz AWDUAMLSUGMMHV-UHFFFAOYSA-N 2 1 283.416 2.279 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000111123914 186354678 /nfs/dbraw/zinc/35/46/78/186354678.db2.gz AWDUAMLSUGMMHV-UHFFFAOYSA-N 2 1 283.416 2.279 10 0 CEAEMP C[N@@H+](CC1CCOCC1)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172949 186365408 /nfs/dbraw/zinc/36/54/08/186365408.db2.gz LGFBHUMQOOZZIY-QGZVFWFLSA-N 2 1 298.471 2.140 10 0 CEAEMP C[N@H+](Cc1ccoc1C[NH2+]C1CC1)CC1CCOCC1 ZINC000111175659 186365631 /nfs/dbraw/zinc/36/56/31/186365631.db2.gz ZYCYVBFWLHEAOQ-UHFFFAOYSA-N 2 1 278.396 2.390 10 0 CEAEMP C[N@@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CCCC1 ZINC000111324828 186398689 /nfs/dbraw/zinc/39/86/89/186398689.db2.gz XRCXOECNCFCOTE-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)C[C@]1(C[NH3+])CCCOC1 ZINC000111328758 186399660 /nfs/dbraw/zinc/39/96/60/186399660.db2.gz XZRQWJYOKRBVQA-OAHLLOKOSA-N 2 1 266.360 2.013 10 0 CEAEMP C[NH2+][C@H](C)C1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000111708683 186449388 /nfs/dbraw/zinc/44/93/88/186449388.db2.gz YDTPFIUXHKAGFM-GFCCVEGCSA-N 2 1 293.386 2.084 10 0 CEAEMP [NH3+]C1CC[NH+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000070459726 363087351 /nfs/dbraw/zinc/08/73/51/363087351.db2.gz FAUNZQJOOLDENE-CYBMUJFWSA-N 2 1 288.313 2.162 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251894207 539993521 /nfs/dbraw/zinc/99/35/21/539993521.db2.gz VUXXLYGTRUPVBC-RDJZCZTQSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000251894207 539993527 /nfs/dbraw/zinc/99/35/27/539993527.db2.gz VUXXLYGTRUPVBC-RDJZCZTQSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000251894207 539993530 /nfs/dbraw/zinc/99/35/30/539993530.db2.gz VUXXLYGTRUPVBC-RDJZCZTQSA-N 2 1 279.472 2.325 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151313579 366638768 /nfs/dbraw/zinc/63/87/68/366638768.db2.gz VHCVHXAGSKMRCS-JKSUJKDBSA-N 2 1 276.424 2.492 10 0 CEAEMP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]cc1Cl ZINC000301696507 201145245 /nfs/dbraw/zinc/14/52/45/201145245.db2.gz BHJRCOABSICYDO-CHWSQXEVSA-N 2 1 295.814 2.161 10 0 CEAEMP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]cc1Cl ZINC000301696507 201145248 /nfs/dbraw/zinc/14/52/48/201145248.db2.gz BHJRCOABSICYDO-CHWSQXEVSA-N 2 1 295.814 2.161 10 0 CEAEMP Cc1cccc2c(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cc[nH+]c12 ZINC000301715307 201155391 /nfs/dbraw/zinc/15/53/91/201155391.db2.gz MPEQNAIMFDYMNF-HZPDHXFCSA-N 2 1 283.375 2.062 10 0 CEAEMP [NH3+]CC1CC[NH+](Cc2ccc(Br)nc2)CC1 ZINC000095072719 364332426 /nfs/dbraw/zinc/33/24/26/364332426.db2.gz GUJGASLRPXKPHM-UHFFFAOYSA-N 2 1 284.201 2.015 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842621 367583703 /nfs/dbraw/zinc/58/37/03/367583703.db2.gz CTTDDKRSKVHHFW-OLZOCXBDSA-N 2 1 266.360 2.121 10 0 CEAEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000173345906 367899989 /nfs/dbraw/zinc/89/99/89/367899989.db2.gz LHSNXENLMPHNQO-HOCLYGCPSA-N 2 1 262.397 2.184 10 0 CEAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000358259116 370977684 /nfs/dbraw/zinc/97/76/84/370977684.db2.gz UIZDSTFWNIHYRX-DZKIICNBSA-N 2 1 268.445 2.248 10 0 CEAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000358259116 370977688 /nfs/dbraw/zinc/97/76/88/370977688.db2.gz UIZDSTFWNIHYRX-DZKIICNBSA-N 2 1 268.445 2.248 10 0 CEAEMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccccn2)C1 ZINC000190483513 369628199 /nfs/dbraw/zinc/62/81/99/369628199.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 2 1 296.418 2.431 10 0 CEAEMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000190483513 369628206 /nfs/dbraw/zinc/62/82/06/369628206.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 2 1 296.418 2.431 10 0 CEAEMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CCC[NH2+]C2)c1C ZINC000220426689 370233827 /nfs/dbraw/zinc/23/38/27/370233827.db2.gz GCEQPFUIORWGBP-CQSZACIVSA-N 2 1 277.412 2.138 10 0 CEAEMP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000231460781 370480894 /nfs/dbraw/zinc/48/08/94/370480894.db2.gz TTWDDLBIFVEJNP-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000231460781 370480901 /nfs/dbraw/zinc/48/09/01/370480901.db2.gz TTWDDLBIFVEJNP-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP C[N@@H+](CCOc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231671128 370487482 /nfs/dbraw/zinc/48/74/82/370487482.db2.gz BDEQDHCEDPJXNJ-ZDUSSCGKSA-N 2 1 266.360 2.278 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000246876214 371023626 /nfs/dbraw/zinc/02/36/26/371023626.db2.gz DGKQEQCEWKPNPB-ROUUACIJSA-N 2 1 299.418 2.260 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000246876214 371023632 /nfs/dbraw/zinc/02/36/32/371023632.db2.gz DGKQEQCEWKPNPB-ROUUACIJSA-N 2 1 299.418 2.260 10 0 CEAEMP CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249368055 371316413 /nfs/dbraw/zinc/31/64/13/371316413.db2.gz MWEGKFLDMSLMDB-IMJJTQAJSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249368055 371316419 /nfs/dbraw/zinc/31/64/19/371316419.db2.gz MWEGKFLDMSLMDB-IMJJTQAJSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249368055 371316428 /nfs/dbraw/zinc/31/64/28/371316428.db2.gz MWEGKFLDMSLMDB-IMJJTQAJSA-N 2 1 266.429 2.096 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570536 371338456 /nfs/dbraw/zinc/33/84/56/371338456.db2.gz OEAPCVKAMAFOJO-BZUAXINKSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570536 371338464 /nfs/dbraw/zinc/33/84/64/371338464.db2.gz OEAPCVKAMAFOJO-BZUAXINKSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570536 371338471 /nfs/dbraw/zinc/33/84/71/371338471.db2.gz OEAPCVKAMAFOJO-BZUAXINKSA-N 2 1 294.464 2.240 10 0 CEAEMP C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1noc(C[NH3+])n1 ZINC000261625702 371681265 /nfs/dbraw/zinc/68/12/65/371681265.db2.gz DLBMKXCJDJLHFB-JTQLQIEISA-N 2 1 294.786 2.245 10 0 CEAEMP Cc1cccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261637089 371685595 /nfs/dbraw/zinc/68/55/95/371685595.db2.gz WPGWRDRIHJCUAG-NUEKZKHPSA-N 2 1 260.381 2.043 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261992618 371793249 /nfs/dbraw/zinc/79/32/49/371793249.db2.gz SZBDQOLLRYEHQW-OIISXLGYSA-N 2 1 292.398 2.381 10 0 CEAEMP C[C@@H](CCNC1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379643119 375157014 /nfs/dbraw/zinc/15/70/14/375157014.db2.gz AXODUMRPBQFVSP-HNNXBMFYSA-N 2 1 275.440 2.239 10 0 CEAEMP NNc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000307321209 376562417 /nfs/dbraw/zinc/56/24/17/376562417.db2.gz WMEKBROKUAFBJI-AWEZNQCLSA-N 2 1 283.379 2.054 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562960085 377036223 /nfs/dbraw/zinc/03/62/23/377036223.db2.gz AZJDRUXVZCRCJU-BQFCYCMXSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562960085 377036227 /nfs/dbraw/zinc/03/62/27/377036227.db2.gz AZJDRUXVZCRCJU-BQFCYCMXSA-N 2 1 289.467 2.485 10 0 CEAEMP CC1(C)CC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC(C)(C)[NH2+]1 ZINC000093210384 184655578 /nfs/dbraw/zinc/65/55/78/184655578.db2.gz BHVCIDCRAGOYIX-NEPJUHHUSA-N 3 1 253.434 2.155 10 0 CEAEMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000343585564 395041691 /nfs/dbraw/zinc/04/16/91/395041691.db2.gz BVOQBXMWBOMXRS-JKJDWNRSSA-N 2 1 266.429 2.406 10 0 CEAEMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000381143296 395172230 /nfs/dbraw/zinc/17/22/30/395172230.db2.gz KAPLKHCSBTUSRI-BHYGNILZSA-N 2 1 274.408 2.351 10 0 CEAEMP CC(=[NH2+])N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000307731156 400340324 /nfs/dbraw/zinc/34/03/24/400340324.db2.gz MHPWVHQAWVACKK-ARFHVFGLSA-N 2 1 257.381 2.484 10 0 CEAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000191479048 153178152 /nfs/dbraw/zinc/17/81/52/153178152.db2.gz VIMIKLKYKMWFDA-HNNXBMFYSA-N 2 1 294.443 2.364 10 0 CEAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000191479048 153178158 /nfs/dbraw/zinc/17/81/58/153178158.db2.gz VIMIKLKYKMWFDA-HNNXBMFYSA-N 2 1 294.443 2.364 10 0 CEAEMP CCc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261891357 153869959 /nfs/dbraw/zinc/86/99/59/153869959.db2.gz VORBBEAVSOBDMP-ZDUSSCGKSA-N 2 1 251.374 2.105 10 0 CEAEMP CCc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261891357 153869965 /nfs/dbraw/zinc/86/99/65/153869965.db2.gz VORBBEAVSOBDMP-ZDUSSCGKSA-N 2 1 251.374 2.105 10 0 CEAEMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365124112 156071209 /nfs/dbraw/zinc/07/12/09/156071209.db2.gz JICDPTCAIGWEGQ-AYHJJNSGSA-N 2 1 287.451 2.333 10 0 CEAEMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365124112 156071213 /nfs/dbraw/zinc/07/12/13/156071213.db2.gz JICDPTCAIGWEGQ-AYHJJNSGSA-N 2 1 287.451 2.333 10 0 CEAEMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365124112 156071215 /nfs/dbraw/zinc/07/12/15/156071215.db2.gz JICDPTCAIGWEGQ-AYHJJNSGSA-N 2 1 287.451 2.333 10 0 CEAEMP CC(C)(C)C1CCC(C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000164656592 162338979 /nfs/dbraw/zinc/33/89/79/162338979.db2.gz XZTDSEAXOOCDCK-YMAMQOFZSA-N 2 1 268.445 2.498 10 0 CEAEMP CC(C)(C)C1CCC(C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000164656592 162338983 /nfs/dbraw/zinc/33/89/83/162338983.db2.gz XZTDSEAXOOCDCK-YMAMQOFZSA-N 2 1 268.445 2.498 10 0 CEAEMP CCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000168639935 162366677 /nfs/dbraw/zinc/36/66/77/162366677.db2.gz QQTDSRSFUXGIOQ-UONOGXRCSA-N 2 1 283.460 2.131 10 0 CEAEMP C[N@H+](CCC(N)=[NH2+])Cc1cccc(C(F)(F)F)c1 ZINC000020525858 171238370 /nfs/dbraw/zinc/23/83/70/171238370.db2.gz YYHVFNQGCFWZJD-UHFFFAOYSA-N 2 1 259.275 2.463 10 0 CEAEMP C[N@@H+](CCC(N)=[NH2+])Cc1cccc(C(F)(F)F)c1 ZINC000020525858 171238371 /nfs/dbraw/zinc/23/83/71/171238371.db2.gz YYHVFNQGCFWZJD-UHFFFAOYSA-N 2 1 259.275 2.463 10 0 CEAEMP CC[NH2+]Cc1cc(F)ccc1N1CCC[N@@H+](C)CC1 ZINC000037236448 173054283 /nfs/dbraw/zinc/05/42/83/173054283.db2.gz MCFPOIVQZZOEJJ-UHFFFAOYSA-N 2 1 265.376 2.077 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000040592362 174347707 /nfs/dbraw/zinc/34/77/07/174347707.db2.gz UYWMXJXAMRYXFU-UONOGXRCSA-N 2 1 290.407 2.450 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000040592362 174347708 /nfs/dbraw/zinc/34/77/08/174347708.db2.gz UYWMXJXAMRYXFU-UONOGXRCSA-N 2 1 290.407 2.450 10 0 CEAEMP CCC[N@@H+](C1CCN(CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747622 174392685 /nfs/dbraw/zinc/39/26/85/174392685.db2.gz WTOAMZDUWJLUFU-FKEKPDDDSA-N 3 1 279.472 2.466 10 0 CEAEMP CCCN(C1CC[NH+](CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747622 174392686 /nfs/dbraw/zinc/39/26/86/174392686.db2.gz WTOAMZDUWJLUFU-FKEKPDDDSA-N 3 1 279.472 2.466 10 0 CEAEMP C[C@@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040767728 174398518 /nfs/dbraw/zinc/39/85/18/174398518.db2.gz NRKUNMSHTOQDIK-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000309722888 414855899 /nfs/dbraw/zinc/85/58/99/414855899.db2.gz MRICSADMSQYCMY-AWEZNQCLSA-N 2 1 291.439 2.141 10 0 CEAEMP CC(C)C[N@@H+](C[C@@H](O)COc1cccc(C[NH3+])c1)C(C)C ZINC000042563051 174799188 /nfs/dbraw/zinc/79/91/88/174799188.db2.gz GQFFWVYHAJQOSE-MRXNPFEDSA-N 2 1 294.439 2.251 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890150 175117771 /nfs/dbraw/zinc/11/77/71/175117771.db2.gz PWQSAJRWRPHXHY-CFVMTHIKSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890167 175118175 /nfs/dbraw/zinc/11/81/75/175118175.db2.gz WIVGINFARQVGLG-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890418 175118249 /nfs/dbraw/zinc/11/82/49/175118249.db2.gz WHGKCFNODOERSW-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP Cc1c(C)n(C[C@H]2CC[N@@H+](C(C)C)C2)c2nc[nH+]c(N)c12 ZINC000045136391 175313877 /nfs/dbraw/zinc/31/38/77/175313877.db2.gz RAMWBOIEBUNNRZ-ZDUSSCGKSA-N 2 1 287.411 2.361 10 0 CEAEMP Cc1c(C)n(C[C@H]2CC[N@H+](C(C)C)C2)c2nc[nH+]c(N)c12 ZINC000045136391 175313878 /nfs/dbraw/zinc/31/38/78/175313878.db2.gz RAMWBOIEBUNNRZ-ZDUSSCGKSA-N 2 1 287.411 2.361 10 0 CEAEMP CCCC[N@H+](CC[C@](C)([NH2+]CC)C(N)=O)[C@@H](C)CC ZINC000045282656 175353508 /nfs/dbraw/zinc/35/35/08/175353508.db2.gz QBEOMQKXYWATOT-ZFWWWQNUSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[N@@H+](CC[C@](C)([NH2+]CC)C(N)=O)[C@@H](C)CC ZINC000045282656 175353509 /nfs/dbraw/zinc/35/35/09/175353509.db2.gz QBEOMQKXYWATOT-ZFWWWQNUSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045368220 175362819 /nfs/dbraw/zinc/36/28/19/175362819.db2.gz ZJOQAVHDVVJRPZ-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045368220 175362820 /nfs/dbraw/zinc/36/28/20/175362820.db2.gz ZJOQAVHDVVJRPZ-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[NH+]1CCCCCCC1 ZINC000045371544 175364091 /nfs/dbraw/zinc/36/40/91/175364091.db2.gz ABMHQPCHYLLDOT-HNNXBMFYSA-N 2 1 270.417 2.313 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379088 175368208 /nfs/dbraw/zinc/36/82/08/175368208.db2.gz RARQMUNRBDWWNQ-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045382169 175370324 /nfs/dbraw/zinc/37/03/24/175370324.db2.gz ZIDYOBTZGCAHBS-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045382169 175370325 /nfs/dbraw/zinc/37/03/25/175370325.db2.gz ZIDYOBTZGCAHBS-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000045383208 175371045 /nfs/dbraw/zinc/37/10/45/175371045.db2.gz CDEKIZPEHGUFHV-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000045383208 175371046 /nfs/dbraw/zinc/37/10/46/175371046.db2.gz CDEKIZPEHGUFHV-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045386902 175373414 /nfs/dbraw/zinc/37/34/14/175373414.db2.gz KDJHTOKDCIVUFQ-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045386902 175373416 /nfs/dbraw/zinc/37/34/16/175373416.db2.gz KDJHTOKDCIVUFQ-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C[C@@H](C)CC)[NH2+]C ZINC000045388645 175373744 /nfs/dbraw/zinc/37/37/44/175373744.db2.gz PRPBGBLOWLCLGL-ZFWWWQNUSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C[C@@H](C)CC)[NH2+]C ZINC000045388645 175373745 /nfs/dbraw/zinc/37/37/45/175373745.db2.gz PRPBGBLOWLCLGL-ZFWWWQNUSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419356 175378058 /nfs/dbraw/zinc/37/80/58/175378058.db2.gz NCMPGLFULYSGTJ-ZMSDIMECSA-N 2 1 295.471 2.132 10 0 CEAEMP CCCO[C@H]1CCC[N@@H+](CCC[C@@](C)(CO)[NH2+]CC)C1 ZINC000070515162 175964300 /nfs/dbraw/zinc/96/43/00/175964300.db2.gz XRYAPOZMLFXZAA-HOTGVXAUSA-N 2 1 286.460 2.018 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(O)c(OC)c2)C1 ZINC000071141817 176040332 /nfs/dbraw/zinc/04/03/32/176040332.db2.gz NHHJOURWGPDYOK-NWDGAFQWSA-N 2 1 264.369 2.003 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(O)c(OC)c2)C1 ZINC000071141817 176040333 /nfs/dbraw/zinc/04/03/33/176040333.db2.gz NHHJOURWGPDYOK-NWDGAFQWSA-N 2 1 264.369 2.003 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188050 176062184 /nfs/dbraw/zinc/06/21/84/176062184.db2.gz VVUILDJMKJJWFB-SCRDCRAPSA-N 2 1 267.442 2.020 10 0 CEAEMP CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188951 176063490 /nfs/dbraw/zinc/06/34/90/176063490.db2.gz YCIUODDSONHDOM-FXUDXRNXSA-N 2 1 267.461 2.022 10 0 CEAEMP C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188584 176063538 /nfs/dbraw/zinc/06/35/38/176063538.db2.gz WNXOOXYZJWDQHR-BFYDXBDKSA-N 2 1 281.488 2.414 10 0 CEAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188595 176063619 /nfs/dbraw/zinc/06/36/19/176063619.db2.gz MGXOSEADHSRVPY-XHSDSOJGSA-N 2 1 269.477 2.414 10 0 CEAEMP C[C@@H]([NH3+])c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189391 176064806 /nfs/dbraw/zinc/06/48/06/176064806.db2.gz FVCZEYJARCIPLQ-VXGBXAGGSA-N 2 1 265.376 2.233 10 0 CEAEMP CCC[C@](C)(C[NH2+]CC)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191421 176070178 /nfs/dbraw/zinc/07/01/78/176070178.db2.gz SZLBMDOQSOATGM-HZPDHXFCSA-N 2 1 269.477 2.286 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2Cc3ccc(F)cc3C2=[NH2+])C1 ZINC000071268907 176102633 /nfs/dbraw/zinc/10/26/33/176102633.db2.gz UTGKBHBHDRKHJG-ZDUSSCGKSA-N 2 1 261.344 2.451 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269046 176102950 /nfs/dbraw/zinc/10/29/50/176102950.db2.gz CVYUDWSEXUCHGD-CYBMUJFWSA-N 2 1 261.344 2.451 10 0 CEAEMP CCN(CC)[C@H]1CC[N@H+](CCCCCC[NH2+]C)C1 ZINC000071289985 176110600 /nfs/dbraw/zinc/11/06/00/176110600.db2.gz HPVIOXILLCYMIF-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCN(CC)[C@H]1CC[N@@H+](CCCCCC[NH2+]C)C1 ZINC000071289985 176110601 /nfs/dbraw/zinc/11/06/01/176110601.db2.gz HPVIOXILLCYMIF-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CN1CC[N@@H+](CCCCCC[NH2+]C2CC2)CC1(C)C ZINC000071290106 176110631 /nfs/dbraw/zinc/11/06/31/176110631.db2.gz DVSQQYMQZLXSRT-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071351160 176134557 /nfs/dbraw/zinc/13/45/57/176134557.db2.gz ABSDEHQWMBARGP-DLBZAZTESA-N 2 1 290.455 2.290 10 0 CEAEMP C[NH+](C)C1CC[NH+](CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401721 176153946 /nfs/dbraw/zinc/15/39/46/176153946.db2.gz XRNLYAADNNOPHS-KRWDZBQOSA-N 3 1 275.440 2.493 10 0 CEAEMP CC[C@@H](CC[NH3+])CCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000079211848 177447711 /nfs/dbraw/zinc/44/77/11/177447711.db2.gz KTSLGYFHUPWNAG-KGLIPLIRSA-N 2 1 295.427 2.154 10 0 CEAEMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000398164642 270357352 /nfs/dbraw/zinc/35/73/52/270357352.db2.gz DDGQNBKVIZAYMP-GOSISDBHSA-N 2 1 289.467 2.485 10 0 CEAEMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000398164642 270357353 /nfs/dbraw/zinc/35/73/53/270357353.db2.gz DDGQNBKVIZAYMP-GOSISDBHSA-N 2 1 289.467 2.485 10 0 CEAEMP CC[NH+](CC)Cc1ccccc1CNC1CC[NH2+]CC1 ZINC000038040682 276110750 /nfs/dbraw/zinc/11/07/50/276110750.db2.gz KYJURDOSWIYFBT-UHFFFAOYSA-N 2 1 275.440 2.370 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1CCOCC1 ZINC000052171821 278332313 /nfs/dbraw/zinc/33/23/13/278332313.db2.gz BIERMEQMGUCPES-AWEZNQCLSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571663 519919834 /nfs/dbraw/zinc/91/98/34/519919834.db2.gz DQDBDDNYZHSCJX-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]C[C@@](C)(CC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763322 519957180 /nfs/dbraw/zinc/95/71/80/519957180.db2.gz ABJHDLYQZQZYGM-HUUCEWRRSA-N 2 1 256.434 2.249 10 0 CEAEMP CCC[NH2+]Cc1oc(C[NH+](CCOC)CCOC)cc1C ZINC000052571541 519973110 /nfs/dbraw/zinc/97/31/10/519973110.db2.gz YIEORYJPTYIRJP-UHFFFAOYSA-N 2 1 298.427 2.182 10 0 CEAEMP CC[NH2+][C@@H](C)CCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000055065144 520073122 /nfs/dbraw/zinc/07/31/22/520073122.db2.gz OTHUSOVLCCPTRX-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC000054560656 520120784 /nfs/dbraw/zinc/12/07/84/520120784.db2.gz TWVMCQIOBJVZPR-KLHDSHLOSA-N 2 1 270.461 2.349 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000062739835 520518228 /nfs/dbraw/zinc/51/82/28/520518228.db2.gz UUTLGVPTPZQLLV-WDEREUQCSA-N 2 1 254.399 2.031 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000062739835 520518236 /nfs/dbraw/zinc/51/82/36/520518236.db2.gz UUTLGVPTPZQLLV-WDEREUQCSA-N 2 1 254.399 2.031 10 0 CEAEMP CC[N@@H+](CCOC)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052542681 521134197 /nfs/dbraw/zinc/13/41/97/521134197.db2.gz JAGFSLAWZCTVJP-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP C([NH2+]C1CC1)C1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183021 518395954 /nfs/dbraw/zinc/39/59/54/518395954.db2.gz APKYOQALJBOGNV-DZGCQCFKSA-N 2 1 264.413 2.020 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951973 519614486 /nfs/dbraw/zinc/61/44/86/519614486.db2.gz MHXLKCQCQNRKMK-OAHLLOKOSA-N 2 1 283.460 2.145 10 0 CEAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2N[C@@H](C)CC[NH+](C)C ZINC000049554482 519697501 /nfs/dbraw/zinc/69/75/01/519697501.db2.gz HWVVYUVXWGWEIO-PMRDEQMMSA-N 2 1 281.488 2.425 10 0 CEAEMP CC(C)C[N@H+](CCN(C)C)[C@@H](C)CC[NH2+]C1CC1 ZINC000052503423 519716949 /nfs/dbraw/zinc/71/69/49/519716949.db2.gz RPXISYQQTKONLT-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)[C@@H](C)CC[NH2+]C1CC1 ZINC000052503423 519716950 /nfs/dbraw/zinc/71/69/50/519716950.db2.gz RPXISYQQTKONLT-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479265 519725371 /nfs/dbraw/zinc/72/53/71/519725371.db2.gz ISKMJSLRWQIXHL-CFVMTHIKSA-N 2 1 254.418 2.262 10 0 CEAEMP CC(C)N[C@@](C)(C[C@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637952 519736579 /nfs/dbraw/zinc/73/65/79/519736579.db2.gz GRHVNSFDHUWHFL-BBRMVZONSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637952 519736581 /nfs/dbraw/zinc/73/65/81/519736581.db2.gz GRHVNSFDHUWHFL-BBRMVZONSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637952 519736582 /nfs/dbraw/zinc/73/65/82/519736582.db2.gz GRHVNSFDHUWHFL-BBRMVZONSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000068690246 519745074 /nfs/dbraw/zinc/74/50/74/519745074.db2.gz HJMZJBANRJFSAV-AWEZNQCLSA-N 2 1 291.443 2.147 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000068690247 519746004 /nfs/dbraw/zinc/74/60/04/519746004.db2.gz HJMZJBANRJFSAV-CQSZACIVSA-N 2 1 291.443 2.147 10 0 CEAEMP CCC[NH2+]C1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000051086778 519907019 /nfs/dbraw/zinc/90/70/19/519907019.db2.gz WDCANHTUOLIVLU-INIZCTEOSA-N 2 1 274.408 2.454 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181051 519910017 /nfs/dbraw/zinc/91/00/17/519910017.db2.gz PNNKIJULOZTVEI-MRXNPFEDSA-N 2 1 298.471 2.020 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181777 519912932 /nfs/dbraw/zinc/91/29/32/519912932.db2.gz FCENVERWUVGZKQ-CYBMUJFWSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000052477734 519913223 /nfs/dbraw/zinc/91/32/23/519913223.db2.gz UIFZHVBEGBUIOU-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]CCCCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571677 519919002 /nfs/dbraw/zinc/91/90/02/519919002.db2.gz VHCQIXZTWLDFMC-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511051 519924230 /nfs/dbraw/zinc/92/42/30/519924230.db2.gz UXHSDDSQMQUECK-JYJNAYRXSA-N 2 1 284.444 2.035 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420850 519981749 /nfs/dbraw/zinc/98/17/49/519981749.db2.gz NUOZOWKPEFXAQE-LXTVHRRPSA-N 2 1 254.418 2.121 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@H]1CC ZINC000052481643 520009082 /nfs/dbraw/zinc/00/90/82/520009082.db2.gz AVVPAWPOGGTNNR-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)CC1CC1)OCCO2 ZINC000069237783 520020556 /nfs/dbraw/zinc/02/05/56/520020556.db2.gz YVTJMQCPJIDPEY-CVEARBPZSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)CC1CC1)OCCO2 ZINC000069237783 520020563 /nfs/dbraw/zinc/02/05/63/520020563.db2.gz YVTJMQCPJIDPEY-CVEARBPZSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCCc2nc(N3CC[NH+](C)CC3)sc21 ZINC000054900327 520023165 /nfs/dbraw/zinc/02/31/65/520023165.db2.gz BQOOAUMPWGZVAC-GFCCVEGCSA-N 2 1 294.468 2.272 10 0 CEAEMP CCC[NH2+][C@H](C)C1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000068689913 520061674 /nfs/dbraw/zinc/06/16/74/520061674.db2.gz LTYXNGKWAPQXGZ-CYBMUJFWSA-N 2 1 291.443 2.147 10 0 CEAEMP CCC[NH2+][C@H]1CCCc2nc(N3CC[NH+](C)CC3)sc21 ZINC000054900331 520094636 /nfs/dbraw/zinc/09/46/36/520094636.db2.gz BQOOAUMPWGZVAC-LBPRGKRZSA-N 2 1 294.468 2.272 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OC ZINC000069239516 520226791 /nfs/dbraw/zinc/22/67/91/520226791.db2.gz CXKIIIHKKMUNDC-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)CC1CC1)C(=O)OC ZINC000069239516 520226802 /nfs/dbraw/zinc/22/68/02/520226802.db2.gz CXKIIIHKKMUNDC-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@H+](Cc1ccsc1)C1CC1 ZINC000062739692 520308577 /nfs/dbraw/zinc/30/85/77/520308577.db2.gz FCXAWBYMTGDCNP-ZDUSSCGKSA-N 2 1 254.399 2.076 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](Cc1ccsc1)C1CC1 ZINC000062739692 520308585 /nfs/dbraw/zinc/30/85/85/520308585.db2.gz FCXAWBYMTGDCNP-ZDUSSCGKSA-N 2 1 254.399 2.076 10 0 CEAEMP CCCC[N@H+](CC[C@H]([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000062527578 520538203 /nfs/dbraw/zinc/53/82/03/520538203.db2.gz ZVSPDXPYSLITOC-KBPBESRZSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[N@@H+](CC[C@H]([NH2+]CCC)C(N)=O)[C@@H](C)CC ZINC000062527578 520538210 /nfs/dbraw/zinc/53/82/10/520538210.db2.gz ZVSPDXPYSLITOC-KBPBESRZSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[C@](CC)(C[NH3+])[N@@H+](CCCOC)CCOC ZINC000069380373 521253432 /nfs/dbraw/zinc/25/34/32/521253432.db2.gz OOIZJGKMQCGKAY-OAHLLOKOSA-N 2 1 274.449 2.269 10 0 CEAEMP CCCC[C@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000069381137 521254165 /nfs/dbraw/zinc/25/41/65/521254165.db2.gz IWGGIRZHTOMRKB-HUUCEWRRSA-N 2 1 255.450 2.168 10 0 CEAEMP CCC[N@@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181339 521484457 /nfs/dbraw/zinc/48/44/57/521484457.db2.gz DRPNPQZDNPYELB-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP CCCc1[nH+]c2cc(N)ccc2n1[C@H]1CC[N@H+](C)C1 ZINC000052854683 521541924 /nfs/dbraw/zinc/54/19/24/521541924.db2.gz CUIXGXPFMJECHK-LBPRGKRZSA-N 2 1 258.369 2.448 10 0 CEAEMP CCCc1[nH+]c2cc(N)ccc2n1[C@H]1CC[N@@H+](C)C1 ZINC000052854683 521541932 /nfs/dbraw/zinc/54/19/32/521541932.db2.gz CUIXGXPFMJECHK-LBPRGKRZSA-N 2 1 258.369 2.448 10 0 CEAEMP C[NH+](C)CCn1c2ccc(N)cc2[nH+]c1C(C)(C)C ZINC000052842604 521817608 /nfs/dbraw/zinc/81/76/08/521817608.db2.gz BPTNRIMQLHHFGK-UHFFFAOYSA-N 2 1 260.385 2.478 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000052182061 521970981 /nfs/dbraw/zinc/97/09/81/521970981.db2.gz VQQWGPKIZUBQNW-QGZVFWFLSA-N 2 1 288.435 2.492 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)oc1C ZINC000052573094 522106099 /nfs/dbraw/zinc/10/60/99/522106099.db2.gz MWJMBZHZVRAMMU-HOTGVXAUSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)oc1C ZINC000052573094 522106107 /nfs/dbraw/zinc/10/61/07/522106107.db2.gz MWJMBZHZVRAMMU-HOTGVXAUSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000052543420 522126848 /nfs/dbraw/zinc/12/68/48/522126848.db2.gz FGWNEYNGQFQBBS-ZDUSSCGKSA-N 2 1 262.397 2.405 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557118 522217123 /nfs/dbraw/zinc/21/71/23/522217123.db2.gz YNJSIYJJGYOIJD-WLYUNCDWSA-N 2 1 256.434 2.497 10 0 CEAEMP COC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560172 522592157 /nfs/dbraw/zinc/59/21/57/522592157.db2.gz BDHDKCREBPYYNF-XGUBFFRZSA-N 2 1 256.434 2.353 10 0 CEAEMP C[N@H+](CCN1CCC[NH2+]CC1)Cc1ccccc1Cl ZINC000061275210 522831586 /nfs/dbraw/zinc/83/15/86/522831586.db2.gz DEGJAHBRXYZZQV-UHFFFAOYSA-N 2 1 281.831 2.067 10 0 CEAEMP C[N@@H+](CCN1CCC[NH2+]CC1)Cc1ccccc1Cl ZINC000061275210 522831594 /nfs/dbraw/zinc/83/15/94/522831594.db2.gz DEGJAHBRXYZZQV-UHFFFAOYSA-N 2 1 281.831 2.067 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016972 523258964 /nfs/dbraw/zinc/25/89/64/523258964.db2.gz SCDLHJSDZQLAOC-INIZCTEOSA-N 2 1 280.412 2.061 10 0 CEAEMP CC[C@H]1COCC[N@@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022958 523335910 /nfs/dbraw/zinc/33/59/10/523335910.db2.gz CFLPUKGFUJSRQG-KBPBESRZSA-N 2 1 261.369 2.165 10 0 CEAEMP CC[C@H]1COCC[N@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022958 523335914 /nfs/dbraw/zinc/33/59/14/523335914.db2.gz CFLPUKGFUJSRQG-KBPBESRZSA-N 2 1 261.369 2.165 10 0 CEAEMP CC[C@@H]1CSC(N[C@H]2CC[N@H+]3CCCC[C@H]23)=[NH+]1 ZINC000049569539 523522197 /nfs/dbraw/zinc/52/21/97/523522197.db2.gz UCJMHLOWTYQBHE-GRYCIOLGSA-N 2 1 253.415 2.084 10 0 CEAEMP CN(c1nc(C(C)(C)C)c(C[NH3+])s1)[C@H]1CCC[N@@H+](C)C1 ZINC000054998276 523660865 /nfs/dbraw/zinc/66/08/65/523660865.db2.gz QOLPSVBRSDUSFR-NSHDSACASA-N 2 1 296.484 2.430 10 0 CEAEMP C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761444 524201498 /nfs/dbraw/zinc/20/14/98/524201498.db2.gz RXXXFFUJXYWPSB-AAEUAGOBSA-N 2 1 260.385 2.376 10 0 CEAEMP COc1ccccc1C[N@H+](C)Cc1cccnc1C[NH3+] ZINC000061656680 524438137 /nfs/dbraw/zinc/43/81/37/524438137.db2.gz NWQFGBCSOQRHIH-UHFFFAOYSA-N 2 1 271.364 2.181 10 0 CEAEMP COc1ccccc1C[N@@H+](C)Cc1cccnc1C[NH3+] ZINC000061656680 524438149 /nfs/dbraw/zinc/43/81/49/524438149.db2.gz NWQFGBCSOQRHIH-UHFFFAOYSA-N 2 1 271.364 2.181 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507532 524458265 /nfs/dbraw/zinc/45/82/65/524458265.db2.gz NNZVULFRCJAPAN-ZFWWWQNUSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H]1CC[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125525 524633426 /nfs/dbraw/zinc/63/34/26/524633426.db2.gz QZMRSUKXUBXGFQ-UGUYLWEFSA-N 2 1 295.471 2.131 10 0 CEAEMP Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)oc1C[NH3+] ZINC000052573145 524699308 /nfs/dbraw/zinc/69/93/08/524699308.db2.gz FHHANTFCYJNLCE-UONOGXRCSA-N 2 1 264.369 2.190 10 0 CEAEMP Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)oc1C[NH3+] ZINC000052573145 524699321 /nfs/dbraw/zinc/69/93/21/524699321.db2.gz FHHANTFCYJNLCE-UONOGXRCSA-N 2 1 264.369 2.190 10 0 CEAEMP COc1ncccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000067872397 525048911 /nfs/dbraw/zinc/04/89/11/525048911.db2.gz YQFSTKXQZJQVKG-UHFFFAOYSA-N 2 1 275.396 2.008 10 0 CEAEMP CSCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000069427975 525509470 /nfs/dbraw/zinc/50/94/70/525509470.db2.gz FFPLKTSOJHHITD-PBWFPOADSA-N 2 1 256.459 2.448 10 0 CEAEMP NC(=[NH2+])C[C@@H](c1ccccc1)[N@@H+](CCO)C1CCCC1 ZINC000055023332 526816130 /nfs/dbraw/zinc/81/61/30/526816130.db2.gz PALJHXFPXCCPIC-HNNXBMFYSA-N 2 1 275.396 2.291 10 0 CEAEMP Cc1nc2ccccn2c1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049554056 527179846 /nfs/dbraw/zinc/17/98/46/527179846.db2.gz ZTWXGKBIFHNWRF-GFCCVEGCSA-N 2 1 260.385 2.073 10 0 CEAEMP NNc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000052718539 527274679 /nfs/dbraw/zinc/27/46/79/527274679.db2.gz PCJBLDJXNQUSPP-ZIAGYGMSSA-N 2 1 260.385 2.379 10 0 CEAEMP CC[NH2+]Cc1cccc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000094443319 535479244 /nfs/dbraw/zinc/47/92/44/535479244.db2.gz RMFCFGRTIREVGQ-GOEBONIOSA-N 2 1 288.439 2.254 10 0 CEAEMP CC[N@H+]1CCN(c2cccc(C[NH2+]CC(C)C)n2)C[C@@H]1C ZINC000110749712 535749375 /nfs/dbraw/zinc/74/93/75/535749375.db2.gz IQNAFNDDQLGLDM-HNNXBMFYSA-N 2 1 290.455 2.358 10 0 CEAEMP C[C@]1(CNC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309714613 628198248 /nfs/dbraw/zinc/19/82/48/628198248.db2.gz KHGUPRLPGWPTBJ-GOSISDBHSA-N 2 1 287.451 2.240 10 0 CEAEMP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399157152 628781288 /nfs/dbraw/zinc/78/12/88/628781288.db2.gz DIULONDVVJAKEL-DZGCQCFKSA-N 2 1 254.418 2.002 10 0 CEAEMP O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1 ZINC000096028679 185067045 /nfs/dbraw/zinc/06/70/45/185067045.db2.gz HUVGDTRCZVNHGX-RTBURBONSA-N 2 1 296.414 2.412 10 0 CEAEMP O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1 ZINC000096028679 185067047 /nfs/dbraw/zinc/06/70/47/185067047.db2.gz HUVGDTRCZVNHGX-RTBURBONSA-N 2 1 296.414 2.412 10 0 CEAEMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000134510168 344374915 /nfs/dbraw/zinc/37/49/15/344374915.db2.gz GHKWUKSBHJIHLR-CYBMUJFWSA-N 2 1 271.364 2.367 10 0 CEAEMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000134510168 344374916 /nfs/dbraw/zinc/37/49/16/344374916.db2.gz GHKWUKSBHJIHLR-CYBMUJFWSA-N 2 1 271.364 2.367 10 0 CEAEMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262301014 344654437 /nfs/dbraw/zinc/65/44/37/344654437.db2.gz QGHBDINKMQPYME-HRCADAONSA-N 2 1 295.471 2.275 10 0 CEAEMP OCC[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000399192400 344857178 /nfs/dbraw/zinc/85/71/78/344857178.db2.gz QMWIZVJVVSFEPC-UHFFFAOYSA-N 2 1 254.418 2.003 10 0 CEAEMP CC[C@H](C)n1ccc(C[NH+]2CCC(C(N)=[NH2+])CC2)n1 ZINC000085179751 178963763 /nfs/dbraw/zinc/96/37/63/178963763.db2.gz MDQQFDJFSRYCAX-NSHDSACASA-N 2 1 263.389 2.002 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000085494601 179082201 /nfs/dbraw/zinc/08/22/01/179082201.db2.gz QGXFETNARZRIGE-HUUCEWRRSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1Cn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085568680 179095384 /nfs/dbraw/zinc/09/53/84/179095384.db2.gz WTXYTZPEZGFRIU-CYBMUJFWSA-N 2 1 276.428 2.137 10 0 CEAEMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000063002194 362741092 /nfs/dbraw/zinc/74/10/92/362741092.db2.gz MJFONJPBMDTOLK-CVEARBPZSA-N 2 1 262.397 2.184 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000063002194 362741096 /nfs/dbraw/zinc/74/10/96/362741096.db2.gz MJFONJPBMDTOLK-CVEARBPZSA-N 2 1 262.397 2.184 10 0 CEAEMP CC[N@H+]1CCC[C@@H](n2c3c(nc2C(C)C)C[NH2+]CC3)C1 ZINC000085572807 179098461 /nfs/dbraw/zinc/09/84/61/179098461.db2.gz NYSAEVPXYSWCTR-CYBMUJFWSA-N 2 1 276.428 2.309 10 0 CEAEMP COCCC[N@H+]1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085620797 179105292 /nfs/dbraw/zinc/10/52/92/179105292.db2.gz NASAVQJDTVRVKR-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128497141 187374225 /nfs/dbraw/zinc/37/42/25/187374225.db2.gz PZRIMJMREYLXJR-MRXNPFEDSA-N 2 1 290.407 2.003 10 0 CEAEMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000128497141 187374227 /nfs/dbraw/zinc/37/42/27/187374227.db2.gz PZRIMJMREYLXJR-MRXNPFEDSA-N 2 1 290.407 2.003 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225397 179252790 /nfs/dbraw/zinc/25/27/90/179252790.db2.gz RVKASVJOFZVBDT-BRWVUGGUSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225412 179253129 /nfs/dbraw/zinc/25/31/29/179253129.db2.gz UHJZKOZGAZMPMA-BZUAXINKSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086259348 179258039 /nfs/dbraw/zinc/25/80/39/179258039.db2.gz SKDWAHDFPPVYNS-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259351 179258486 /nfs/dbraw/zinc/25/84/86/179258486.db2.gz GERDZHUAASHEKD-CVEARBPZSA-N 2 1 279.472 2.467 10 0 CEAEMP CC(C)[C@H]1CNC(C)(C)C[N@H+]1CCCC[NH+](C)C ZINC000086261068 179260384 /nfs/dbraw/zinc/26/03/84/179260384.db2.gz QUDOYCDJUFJJIX-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH2+]C(C)(C)CN1CCCC[NH+](C)C ZINC000086261068 179260387 /nfs/dbraw/zinc/26/03/87/179260387.db2.gz QUDOYCDJUFJJIX-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291370 179265199 /nfs/dbraw/zinc/26/51/99/179265199.db2.gz WWQGWETVOVRNCY-ILXRZTDVSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288173 179264955 /nfs/dbraw/zinc/26/49/55/179264955.db2.gz VZYSIVFLYFNYAO-HOCLYGCPSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288173 179264956 /nfs/dbraw/zinc/26/49/56/179264956.db2.gz VZYSIVFLYFNYAO-HOCLYGCPSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@H](C(C)(C)C)C2)CC1 ZINC000086291529 179266312 /nfs/dbraw/zinc/26/63/12/179266312.db2.gz MFCJZMRHXRVFPM-INIZCTEOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086291529 179266313 /nfs/dbraw/zinc/26/63/13/179266313.db2.gz MFCJZMRHXRVFPM-INIZCTEOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@@H](C(C)C)C2)CC1 ZINC000086291546 179266352 /nfs/dbraw/zinc/26/63/52/179266352.db2.gz SGLDCSZXGAPRDS-MRXNPFEDSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000086291546 179266354 /nfs/dbraw/zinc/26/63/54/179266354.db2.gz SGLDCSZXGAPRDS-MRXNPFEDSA-N 2 1 267.461 2.038 10 0 CEAEMP CCOC[C@@H](C)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292003 179266982 /nfs/dbraw/zinc/26/69/82/179266982.db2.gz XOXMKNRUIUHVQR-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP Cc1ccccc1N(C)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819523 179347860 /nfs/dbraw/zinc/34/78/60/179347860.db2.gz PPOSPHYXHMYUPE-INIZCTEOSA-N 2 1 261.413 2.244 10 0 CEAEMP Cc1csc(CC[NH2+][C@H]2CCC[N@H+](C)CC2)n1 ZINC000086819110 179348298 /nfs/dbraw/zinc/34/82/98/179348298.db2.gz ATZZUNZEMJYPJU-LBPRGKRZSA-N 2 1 253.415 2.068 10 0 CEAEMP CCN(c1ccc(F)cc1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819535 179348844 /nfs/dbraw/zinc/34/88/44/179348844.db2.gz UXQAHRVAZHXRRX-INIZCTEOSA-N 2 1 279.403 2.465 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835407 179349777 /nfs/dbraw/zinc/34/97/77/179349777.db2.gz YDFRJUGLDHLOFO-MRXNPFEDSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844688 179355723 /nfs/dbraw/zinc/35/57/23/179355723.db2.gz SKUMMVPFMIBJGZ-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844688 179355724 /nfs/dbraw/zinc/35/57/24/179355724.db2.gz SKUMMVPFMIBJGZ-CVEARBPZSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844688 179355726 /nfs/dbraw/zinc/35/57/26/179355726.db2.gz SKUMMVPFMIBJGZ-CVEARBPZSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccc2F)CC1 ZINC000086847485 179356693 /nfs/dbraw/zinc/35/66/93/179356693.db2.gz DRBVHCNJMJXAGM-QGZVFWFLSA-N 2 1 293.430 2.461 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846918 179356811 /nfs/dbraw/zinc/35/68/11/179356811.db2.gz IUAGEFUZBDVQSP-HUUCEWRRSA-N 2 1 285.501 2.016 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848209 179357123 /nfs/dbraw/zinc/35/71/23/179357123.db2.gz JQDANGOIADGWEX-HNNXBMFYSA-N 2 1 296.484 2.167 10 0 CEAEMP CCC[N@H+]1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849661 179357537 /nfs/dbraw/zinc/35/75/37/179357537.db2.gz TVPKWMNEEPASRW-KRWDZBQOSA-N 2 1 295.471 2.419 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835004 179350714 /nfs/dbraw/zinc/35/07/14/179350714.db2.gz VXHPERBFWBCDBC-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835004 179350716 /nfs/dbraw/zinc/35/07/16/179350716.db2.gz VXHPERBFWBCDBC-CQSZACIVSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835004 179350718 /nfs/dbraw/zinc/35/07/18/179350718.db2.gz VXHPERBFWBCDBC-CQSZACIVSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)[C@@H](CN[C@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836665 179351255 /nfs/dbraw/zinc/35/12/55/179351255.db2.gz BCPHVCUNPDVSDE-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccc(F)c2)CC1 ZINC000086846639 179354830 /nfs/dbraw/zinc/35/48/30/179354830.db2.gz QYMARARPOZVGRQ-QGZVFWFLSA-N 2 1 293.430 2.461 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846279 179355161 /nfs/dbraw/zinc/35/51/61/179355161.db2.gz RMDYACKXPMQGEK-INIZCTEOSA-N 2 1 267.461 2.456 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846279 179355163 /nfs/dbraw/zinc/35/51/63/179355163.db2.gz RMDYACKXPMQGEK-INIZCTEOSA-N 2 1 267.461 2.456 10 0 CEAEMP CCC[N@H+]1CCC[C@](CN)([NH+]2CCCCCC2)CC1 ZINC000086846279 179355167 /nfs/dbraw/zinc/35/51/67/179355167.db2.gz RMDYACKXPMQGEK-INIZCTEOSA-N 2 1 267.461 2.456 10 0 CEAEMP CCCN(CCC)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846508 179355604 /nfs/dbraw/zinc/35/56/04/179355604.db2.gz MQTCAKMPONWDLG-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[NH+](CCC)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846508 179355605 /nfs/dbraw/zinc/35/56/05/179355605.db2.gz MQTCAKMPONWDLG-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[NH+](CCC)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846508 179355606 /nfs/dbraw/zinc/35/56/06/179355606.db2.gz MQTCAKMPONWDLG-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868240 179360886 /nfs/dbraw/zinc/36/08/86/179360886.db2.gz GOSJMCSUZDOSTB-OAHLLOKOSA-N 2 1 282.453 2.465 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868240 179360887 /nfs/dbraw/zinc/36/08/87/179360887.db2.gz GOSJMCSUZDOSTB-OAHLLOKOSA-N 2 1 282.453 2.465 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CC(=O)OCC)([NH+](C)C)CC1 ZINC000086868538 179360943 /nfs/dbraw/zinc/36/09/43/179360943.db2.gz GGADTYOWRWBUBH-OAHLLOKOSA-N 2 1 270.417 2.136 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875089 179364528 /nfs/dbraw/zinc/36/45/28/179364528.db2.gz YQVZFVSMBUDDRV-OAHLLOKOSA-N 2 1 266.360 2.156 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875089 179364529 /nfs/dbraw/zinc/36/45/29/179364529.db2.gz YQVZFVSMBUDDRV-OAHLLOKOSA-N 2 1 266.360 2.156 10 0 CEAEMP CCC[N@H+]1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849658 179357962 /nfs/dbraw/zinc/35/79/62/179357962.db2.gz TVPKWMNEEPASRW-QGZVFWFLSA-N 2 1 295.471 2.419 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891127 179366148 /nfs/dbraw/zinc/36/61/48/179366148.db2.gz XBSFBMMHAXGZMK-CVEARBPZSA-N 2 1 286.460 2.269 10 0 CEAEMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087017726 179380761 /nfs/dbraw/zinc/38/07/61/179380761.db2.gz QZHDRGFSMYZDEL-UONOGXRCSA-N 2 1 254.418 2.002 10 0 CEAEMP CCC[NH2+][C@@H](CSCC)Cc1c[nH+]ccc1N ZINC000087106224 179394833 /nfs/dbraw/zinc/39/48/33/179394833.db2.gz VCRPSSNZKVMJRB-GFCCVEGCSA-N 2 1 253.415 2.328 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(NCc2ccccc2)CC1 ZINC000087913160 179521920 /nfs/dbraw/zinc/52/19/20/179521920.db2.gz UWMAKXNVXNAHCW-QGZVFWFLSA-N 2 1 275.440 2.370 10 0 CEAEMP C[N@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112120 179707402 /nfs/dbraw/zinc/70/74/02/179707402.db2.gz NPZOKVWVOZZDFO-BXUZGUMPSA-N 2 1 258.369 2.122 10 0 CEAEMP C[N@@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112120 179707403 /nfs/dbraw/zinc/70/74/03/179707403.db2.gz NPZOKVWVOZZDFO-BXUZGUMPSA-N 2 1 258.369 2.122 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000090566586 180006676 /nfs/dbraw/zinc/00/66/76/180006676.db2.gz QBYJARQMPGGWDZ-MELADBBJSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)CCc1ccccc1 ZINC000090567221 180006804 /nfs/dbraw/zinc/00/68/04/180006804.db2.gz CVFNZEFDSFSCRR-SJORKVTESA-N 2 1 276.424 2.176 10 0 CEAEMP Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090892239 180053819 /nfs/dbraw/zinc/05/38/19/180053819.db2.gz KCSIYWBTHYBXOO-BLLLJJGKSA-N 2 1 290.382 2.203 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892612 180054953 /nfs/dbraw/zinc/05/49/53/180054953.db2.gz VYMNCSAFAGQPJQ-BBRMVZONSA-N 2 1 292.398 2.449 10 0 CEAEMP CC[N@H+](C[C@@H]1Cc2cc(C)ccc2O1)C(C)(C)C[NH3+] ZINC000090897014 180056965 /nfs/dbraw/zinc/05/69/65/180056965.db2.gz IZAWXWSGOLSVBI-AWEZNQCLSA-N 2 1 262.397 2.358 10 0 CEAEMP CC[N@@H+](C[C@@H]1Cc2cc(C)ccc2O1)C(C)(C)C[NH3+] ZINC000090897014 180056967 /nfs/dbraw/zinc/05/69/67/180056967.db2.gz IZAWXWSGOLSVBI-AWEZNQCLSA-N 2 1 262.397 2.358 10 0 CEAEMP CCC[NH2+][C@H](C)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906100 180060757 /nfs/dbraw/zinc/06/07/57/180060757.db2.gz GHLQKKBMSOXLII-KFWWJZLASA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090957983 180074835 /nfs/dbraw/zinc/07/48/35/180074835.db2.gz DEUKIXACMPJQTJ-PHIMTYICSA-N 2 1 253.415 2.407 10 0 CEAEMP C[N@@H+](Cc1c[nH]c2ncccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091019405 180088064 /nfs/dbraw/zinc/08/80/64/180088064.db2.gz NYPZXWCCMURKRE-PBWFPOADSA-N 2 1 270.380 2.278 10 0 CEAEMP C[N@@H+](Cc1c[nH]c2ncccc12)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091019878 180088123 /nfs/dbraw/zinc/08/81/23/180088123.db2.gz SGAQWIKMCNZDRF-BXUZGUMPSA-N 2 1 258.369 2.122 10 0 CEAEMP CC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C[C@H](CC)O1 ZINC000675054796 539761765 /nfs/dbraw/zinc/76/17/65/539761765.db2.gz ZIDXHCGQMPQVFR-LJISPDSOSA-N 2 1 254.418 2.393 10 0 CEAEMP CCC[C@H]1CCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314287 180133832 /nfs/dbraw/zinc/13/38/32/180133832.db2.gz MBYIKUUFUINTOI-LSDHHAIUSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCCC1 ZINC000091565071 180193478 /nfs/dbraw/zinc/19/34/78/180193478.db2.gz UPUIZLWKTYJOKU-OAHLLOKOSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(C)c1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607222 180204344 /nfs/dbraw/zinc/20/43/44/180204344.db2.gz AHMMOUVSAHXLAD-HZPDHXFCSA-N 2 1 278.444 2.205 10 0 CEAEMP CC[C@](C)([C@H](Cc1cnn(C)c1)[NH2+]C)[NH+]1CCCCC1 ZINC000091609700 180205109 /nfs/dbraw/zinc/20/51/09/180205109.db2.gz RIIBHZPKSFRXFL-JKSUJKDBSA-N 2 1 278.444 2.205 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1cnn(C)c1)[NH2+]C)[NH+]1CCCCC1 ZINC000091609697 180205569 /nfs/dbraw/zinc/20/55/69/180205569.db2.gz RIIBHZPKSFRXFL-CVEARBPZSA-N 2 1 278.444 2.205 10 0 CEAEMP C[NH+](C)C(C)(C)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000091528395 180179756 /nfs/dbraw/zinc/17/97/56/180179756.db2.gz MTGFCJRMECJSAK-OAHLLOKOSA-N 2 1 257.381 2.445 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(C)nn1C)C(C)(C)[NH+]1CCCC1 ZINC000091535605 180182465 /nfs/dbraw/zinc/18/24/65/180182465.db2.gz TURLUKXJFHENFY-HNNXBMFYSA-N 2 1 278.444 2.124 10 0 CEAEMP C[NH2+][C@H](C)c1sc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1C ZINC000091722414 180239742 /nfs/dbraw/zinc/23/97/42/180239742.db2.gz ZVPPVAMOIFYNMU-JLLWLGSASA-N 2 1 281.425 2.268 10 0 CEAEMP Cc1cc2c(n1C[C@@H]1C[N@H+](C)CCO1)CC(C)(C)C[C@@H]2[NH3+] ZINC000091679126 180225202 /nfs/dbraw/zinc/22/52/02/180225202.db2.gz FUDAYPGHCYZUEK-ZFWWWQNUSA-N 2 1 291.439 2.099 10 0 CEAEMP Cc1cc2c(n1C[C@@H]1C[N@@H+](C)CCO1)CC(C)(C)C[C@@H]2[NH3+] ZINC000091679126 180225203 /nfs/dbraw/zinc/22/52/03/180225203.db2.gz FUDAYPGHCYZUEK-ZFWWWQNUSA-N 2 1 291.439 2.099 10 0 CEAEMP CCC[NH2+][C@H](CC(C)C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722073 180239554 /nfs/dbraw/zinc/23/95/54/180239554.db2.gz FKGKRYILLBQLHU-KFWWJZLASA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@H](CC(C)C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722073 180239557 /nfs/dbraw/zinc/23/95/57/180239557.db2.gz FKGKRYILLBQLHU-KFWWJZLASA-N 2 1 254.418 2.264 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091721368 180238032 /nfs/dbraw/zinc/23/80/32/180238032.db2.gz BHRYCJYYNDIONM-KCXAZCMYSA-N 2 1 294.464 2.304 10 0 CEAEMP CCc1ccc(C[C@H]([NH2+]C)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091721368 180238036 /nfs/dbraw/zinc/23/80/36/180238036.db2.gz BHRYCJYYNDIONM-KCXAZCMYSA-N 2 1 294.464 2.304 10 0 CEAEMP Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)sc1[C@@H](C)[NH3+] ZINC000091722412 180240448 /nfs/dbraw/zinc/24/04/48/180240448.db2.gz GDHXVSVPSGASKM-IEBDPFPHSA-N 2 1 267.398 2.007 10 0 CEAEMP CC[NH2+][C@H](CCC1CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721851 180240889 /nfs/dbraw/zinc/24/08/89/180240889.db2.gz OVHPNZUILQHEAW-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+][C@H](CCC1CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721851 180240892 /nfs/dbraw/zinc/24/08/92/180240892.db2.gz OVHPNZUILQHEAW-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CCC[NH2+][C@H](CC1CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722215 180241057 /nfs/dbraw/zinc/24/10/57/180241057.db2.gz ACNVLNUHVYWUAP-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CCC[NH2+][C@H](CC1CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722215 180241060 /nfs/dbraw/zinc/24/10/60/180241060.db2.gz ACNVLNUHVYWUAP-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CCC[N@@H+](CC(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091852484 180273006 /nfs/dbraw/zinc/27/30/06/180273006.db2.gz RUFSPCWDXGGBNI-UHFFFAOYSA-N 2 1 281.444 2.027 10 0 CEAEMP CC[N@@H+](CC(=O)NC1CCC(C)CC1)C1CCC([NH3+])CC1 ZINC000091850752 180271704 /nfs/dbraw/zinc/27/17/04/180271704.db2.gz MKOLSQSTCQTGQW-UHFFFAOYSA-N 2 1 295.471 2.273 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@H](O)C(F)(F)F)CC1 ZINC000091870006 180277440 /nfs/dbraw/zinc/27/74/40/180277440.db2.gz PMUHJECRLMVJGT-MCIGGMRASA-N 2 1 282.350 2.152 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cncn2C2CC2)CC1 ZINC000091871220 180277484 /nfs/dbraw/zinc/27/74/84/180277484.db2.gz AWYMZBDLVQAQBO-UHFFFAOYSA-N 2 1 262.401 2.180 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+]1C[C@H](C)[C@H](C)C1)OCCO2 ZINC000092084321 180320489 /nfs/dbraw/zinc/32/04/89/180320489.db2.gz WYTRFDLDGPXIFE-QKPAOTATSA-N 2 1 296.455 2.238 10 0 CEAEMP CC[NH2+]Cc1nc(C[N@H+]2C[C@H](C)[C@H](C)C2)cs1 ZINC000092089349 180321777 /nfs/dbraw/zinc/32/17/77/180321777.db2.gz HDBLOJAYNZVBPM-PHIMTYICSA-N 2 1 253.415 2.340 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000092325054 180362751 /nfs/dbraw/zinc/36/27/51/180362751.db2.gz XJRJYRAAVXDJLM-IUODEOHRSA-N 2 1 278.444 2.247 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000092325054 180362753 /nfs/dbraw/zinc/36/27/53/180362753.db2.gz XJRJYRAAVXDJLM-IUODEOHRSA-N 2 1 278.444 2.247 10 0 CEAEMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417247 180381512 /nfs/dbraw/zinc/38/15/12/180381512.db2.gz SZMNDTYONGUVSI-LLVKDONJSA-N 2 1 253.777 2.296 10 0 CEAEMP Cc1cccc(C[N@H+]2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000092433829 180384314 /nfs/dbraw/zinc/38/43/14/180384314.db2.gz KHYHDJCVNNHMPS-BBRMVZONSA-N 2 1 259.397 2.352 10 0 CEAEMP Cc1cccc(C[N@@H+]2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000092433829 180384315 /nfs/dbraw/zinc/38/43/15/180384315.db2.gz KHYHDJCVNNHMPS-BBRMVZONSA-N 2 1 259.397 2.352 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2CC[N@@H+](C)C(C)C ZINC000110630143 186307402 /nfs/dbraw/zinc/30/74/02/186307402.db2.gz GYULZPCMSGNMBB-UHFFFAOYSA-N 2 1 280.347 2.106 10 0 CEAEMP CC[N@H+]1CCC[C@H]1Cn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629265 186307953 /nfs/dbraw/zinc/30/79/53/186307953.db2.gz GRVDDSBYJDBHAF-JTQLQIEISA-N 2 1 292.358 2.251 10 0 CEAEMP C[C@H]([NH3+])C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110645178 186308399 /nfs/dbraw/zinc/30/83/99/186308399.db2.gz WBAWXJHIVJHQLY-MAUKXSAKSA-N 2 1 287.451 2.320 10 0 CEAEMP C[C@H]([NH3+])C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110645178 186308401 /nfs/dbraw/zinc/30/84/01/186308401.db2.gz WBAWXJHIVJHQLY-MAUKXSAKSA-N 2 1 287.451 2.320 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)CC2)on1 ZINC000110812641 186326372 /nfs/dbraw/zinc/32/63/72/186326372.db2.gz CCUQSCAFUXKSCM-GFCCVEGCSA-N 2 1 251.374 2.406 10 0 CEAEMP CC(C)[NH2+][C@](C)(CCC[N@@H+](C)CC1CCCC1)C(N)=O ZINC000110840542 186328375 /nfs/dbraw/zinc/32/83/75/186328375.db2.gz QVTNHPUCLAWLBO-MRXNPFEDSA-N 2 1 283.460 2.131 10 0 CEAEMP C[N@@H+](C[C@@H](O)c1ccc(C[NH3+])cc1)CC1CCCC1 ZINC000110833963 186328519 /nfs/dbraw/zinc/32/85/19/186328519.db2.gz MZBQKJWPAJCRCB-MRXNPFEDSA-N 2 1 262.397 2.301 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccsc2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110704086 186313619 /nfs/dbraw/zinc/31/36/19/186313619.db2.gz DQGRIXICQHVFJZ-MRVWCRGKSA-N 2 1 267.442 2.162 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705022 186314117 /nfs/dbraw/zinc/31/41/17/186314117.db2.gz SAJYCYXCMQBRRW-OCCSQVGLSA-N 2 1 265.401 2.084 10 0 CEAEMP CCOc1ccc([C@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716536 186316297 /nfs/dbraw/zinc/31/62/97/186316297.db2.gz IEEPHPJDDLMTGQ-MRXNPFEDSA-N 2 1 291.439 2.111 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110724197 186317102 /nfs/dbraw/zinc/31/71/02/186317102.db2.gz NQWPIAHAHMEMER-AWEZNQCLSA-N 2 1 283.460 2.084 10 0 CEAEMP CC[C@@H]1CN(C[C@@](C)(CC)C[NH2+]C(C)C)CC[N@H+]1C ZINC000110746513 186318712 /nfs/dbraw/zinc/31/87/12/186318712.db2.gz FREQALNJFLMQSC-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(CN2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000110751480 186321663 /nfs/dbraw/zinc/32/16/63/186321663.db2.gz OOTPUVUGSHKNBB-HNNXBMFYSA-N 2 1 275.440 2.321 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000110751480 186321665 /nfs/dbraw/zinc/32/16/65/186321665.db2.gz OOTPUVUGSHKNBB-HNNXBMFYSA-N 2 1 275.440 2.321 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000110751480 186321666 /nfs/dbraw/zinc/32/16/66/186321666.db2.gz OOTPUVUGSHKNBB-HNNXBMFYSA-N 2 1 275.440 2.321 10 0 CEAEMP C[NH+](C)CCC[N@H+](C)Cc1cccc(C[NH2+]C2CC2)c1 ZINC000111150174 186360707 /nfs/dbraw/zinc/36/07/07/186360707.db2.gz IDLIMEZAEDHYKQ-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(C[NH2+]C2CC2)c1 ZINC000111150174 186360709 /nfs/dbraw/zinc/36/07/09/186360709.db2.gz IDLIMEZAEDHYKQ-UHFFFAOYSA-N 3 1 275.440 2.322 10 0 CEAEMP C[N@@H+](CC1CCOCC1)[C@@H](CC[NH3+])c1ccccc1 ZINC000111157527 186362070 /nfs/dbraw/zinc/36/20/70/186362070.db2.gz QIAZRVIZUZELEF-INIZCTEOSA-N 2 1 262.397 2.435 10 0 CEAEMP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111156249 186362302 /nfs/dbraw/zinc/36/23/02/186362302.db2.gz MBRFBOXSRHTNRD-CXAGYDPISA-N 2 1 292.423 2.442 10 0 CEAEMP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111156249 186362303 /nfs/dbraw/zinc/36/23/03/186362303.db2.gz MBRFBOXSRHTNRD-CXAGYDPISA-N 2 1 292.423 2.442 10 0 CEAEMP CC[N@@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324689 186398073 /nfs/dbraw/zinc/39/80/73/186398073.db2.gz SHQLNLVCPGMJGI-HNNXBMFYSA-N 2 1 252.402 2.020 10 0 CEAEMP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccc(OC)cc2)CCCOC1 ZINC000111327234 186398528 /nfs/dbraw/zinc/39/85/28/186398528.db2.gz YAVHREAXCCJVKT-KRWDZBQOSA-N 2 1 292.423 2.143 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccc(OC)cc2)CCCOC1 ZINC000111327234 186398530 /nfs/dbraw/zinc/39/85/30/186398530.db2.gz YAVHREAXCCJVKT-KRWDZBQOSA-N 2 1 292.423 2.143 10 0 CEAEMP CCCCOC(=O)CN1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000155230368 188192095 /nfs/dbraw/zinc/19/20/95/188192095.db2.gz RIONBSJFGILFBN-AWEZNQCLSA-N 2 1 293.411 2.426 10 0 CEAEMP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251855761 539992811 /nfs/dbraw/zinc/99/28/11/539992811.db2.gz RYSGPXQFYHSXDE-PMPSAXMXSA-N 2 1 295.471 2.083 10 0 CEAEMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151338080 366639669 /nfs/dbraw/zinc/63/96/69/366639669.db2.gz SFYGSMQDYYJRFN-NVXWUHKLSA-N 2 1 276.424 2.492 10 0 CEAEMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000095072289 364332357 /nfs/dbraw/zinc/33/23/57/364332357.db2.gz NIEWQNVAXKUNHG-GHMZBOCLSA-N 2 1 284.201 2.204 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245428805 370818577 /nfs/dbraw/zinc/81/85/77/370818577.db2.gz JMLLLDRTXNURDW-YHUYYLMFSA-N 2 1 295.471 2.190 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000635000370 369035966 /nfs/dbraw/zinc/03/59/66/369035966.db2.gz MWSRWJXJTXQOBH-WFASDCNBSA-N 2 1 255.365 2.261 10 0 CEAEMP c1ccc(C[N@H+]2CCCCC[C@@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000635023070 369059167 /nfs/dbraw/zinc/05/91/67/369059167.db2.gz RLMADAWTROWQGQ-ZWKOTPCHSA-N 2 1 287.451 2.383 10 0 CEAEMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231453813 370479393 /nfs/dbraw/zinc/47/93/93/370479393.db2.gz ZKOLCYYIDAENNV-MRXNPFEDSA-N 2 1 284.407 2.446 10 0 CEAEMP COc1ccc(OC)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231464210 370480305 /nfs/dbraw/zinc/48/03/05/370480305.db2.gz VOYDMZOLTZNOIF-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1ccc(OC)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231464210 370480308 /nfs/dbraw/zinc/48/03/08/370480308.db2.gz VOYDMZOLTZNOIF-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP C[N@H+](Cc1cncc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000231460212 370480632 /nfs/dbraw/zinc/48/06/32/370480632.db2.gz QCUXVPKFRQAMOH-ZDUSSCGKSA-N 2 1 298.228 2.418 10 0 CEAEMP C[N@@H+](Cc1cncc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000231460212 370480636 /nfs/dbraw/zinc/48/06/36/370480636.db2.gz QCUXVPKFRQAMOH-ZDUSSCGKSA-N 2 1 298.228 2.418 10 0 CEAEMP CC(C)n1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231461483 370481025 /nfs/dbraw/zinc/48/10/25/370481025.db2.gz JSKFENQDOTZSMZ-AWEZNQCLSA-N 2 1 250.390 2.038 10 0 CEAEMP CC(C)n1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231461483 370481033 /nfs/dbraw/zinc/48/10/33/370481033.db2.gz JSKFENQDOTZSMZ-AWEZNQCLSA-N 2 1 250.390 2.038 10 0 CEAEMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261611842 371677642 /nfs/dbraw/zinc/67/76/42/371677642.db2.gz DZFJEIFTQUXWJJ-SOUVJXGZSA-N 2 1 290.407 2.133 10 0 CEAEMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261579778 371659361 /nfs/dbraw/zinc/65/93/61/371659361.db2.gz DXLJHONWXHRZEF-AEGPPILISA-N 2 1 260.381 2.254 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000261810047 371739479 /nfs/dbraw/zinc/73/94/79/371739479.db2.gz RLFHYFWZAQJFMW-MSOLQXFVSA-N 2 1 287.451 2.050 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000261765175 371723854 /nfs/dbraw/zinc/72/38/54/371723854.db2.gz OCTVSOGPCIZWNQ-BZUAXINKSA-N 2 1 267.376 2.404 10 0 CEAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](C)C1 ZINC000261927688 371773334 /nfs/dbraw/zinc/77/33/34/371773334.db2.gz LEHHLRIKAVTNIE-RBSFLKMASA-N 2 1 254.418 2.123 10 0 CEAEMP CCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262051286 371812324 /nfs/dbraw/zinc/81/23/24/371812324.db2.gz ZQIYJRDOFLSIBJ-ZNMIVQPWSA-N 2 1 266.429 2.313 10 0 CEAEMP CC[C@@H]1CCC[N@@H+](CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085240515 184608787 /nfs/dbraw/zinc/60/87/87/184608787.db2.gz QQKXXIWPPPHDCG-ZBFHGGJFSA-N 2 1 268.445 2.392 10 0 CEAEMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000093515797 184686616 /nfs/dbraw/zinc/68/66/16/184686616.db2.gz HEUWNVDYZASDQF-PMPSAXMXSA-N 2 1 295.471 2.288 10 0 CEAEMP CC[N@@H+](CC[C@H]1CCC[C@@]1(CO)[NH2+]C)C1CCCC1 ZINC000093616877 184696126 /nfs/dbraw/zinc/69/61/26/184696126.db2.gz BNYWLYNMXVCNRC-ZBFHGGJFSA-N 2 1 268.445 2.392 10 0 CEAEMP Cc1ccc(C[NH2+]CCN2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC000094443857 184800231 /nfs/dbraw/zinc/80/02/31/184800231.db2.gz LYFCBJUXFRJSNY-OAHLLOKOSA-N 2 1 293.480 2.316 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000094459807 184804785 /nfs/dbraw/zinc/80/47/85/184804785.db2.gz KUGYTJRAWFSYQK-BZUAXINKSA-N 2 1 265.445 2.077 10 0 CEAEMP C[NH2+][C@H]1[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCC1(C)C ZINC000094318604 184780161 /nfs/dbraw/zinc/78/01/61/184780161.db2.gz FRUDOEDXOJHZNM-HOTGVXAUSA-N 3 1 281.488 2.284 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1 ZINC000094444589 135088964 /nfs/dbraw/zinc/08/89/64/135088964.db2.gz LTIYQZSKTVJUQE-RHSMWYFYSA-N 2 1 273.424 2.251 10 0 CEAEMP c1cc(C[NH2+]C2CC2)nc(N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000094443216 135088988 /nfs/dbraw/zinc/08/89/88/135088988.db2.gz JMLRPPKIQAAGSQ-MRXNPFEDSA-N 2 1 286.423 2.008 10 0 CEAEMP C[C@H](c1cncc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311225672 394536636 /nfs/dbraw/zinc/53/66/36/394536636.db2.gz WYYYSBDIXVPMSE-JTNHKYCSSA-N 2 1 251.349 2.198 10 0 CEAEMP C[C@H](c1cncc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311225672 394536640 /nfs/dbraw/zinc/53/66/40/394536640.db2.gz WYYYSBDIXVPMSE-JTNHKYCSSA-N 2 1 251.349 2.198 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)CC[NH3+] ZINC000263028899 154009877 /nfs/dbraw/zinc/00/98/77/154009877.db2.gz RSBKUZWWHJMQEB-QLPKVWCKSA-N 2 1 275.440 2.034 10 0 CEAEMP Cc1oncc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000128839097 162297856 /nfs/dbraw/zinc/29/78/56/162297856.db2.gz OUXYYSULXMQXTH-CQSZACIVSA-N 2 1 260.341 2.153 10 0 CEAEMP Cc1oncc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000128839097 162297857 /nfs/dbraw/zinc/29/78/57/162297857.db2.gz OUXYYSULXMQXTH-CQSZACIVSA-N 2 1 260.341 2.153 10 0 CEAEMP [NH3+]CC[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159905402 162320357 /nfs/dbraw/zinc/32/03/57/162320357.db2.gz RHJCJMQADJHZOZ-SNVBAGLBSA-N 2 1 284.201 2.409 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000177423532 165199178 /nfs/dbraw/zinc/19/91/78/165199178.db2.gz JMLLLDRTXNURDW-QKPAOTATSA-N 2 1 295.471 2.190 10 0 CEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000177423532 165199182 /nfs/dbraw/zinc/19/91/82/165199182.db2.gz JMLLLDRTXNURDW-QKPAOTATSA-N 2 1 295.471 2.190 10 0 CEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000177423532 165199186 /nfs/dbraw/zinc/19/91/86/165199186.db2.gz JMLLLDRTXNURDW-QKPAOTATSA-N 2 1 295.471 2.190 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000178330323 165235445 /nfs/dbraw/zinc/23/54/45/165235445.db2.gz UVHRQKPMIOSVGS-LBPRGKRZSA-N 2 1 291.317 2.235 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000178330323 165235449 /nfs/dbraw/zinc/23/54/49/165235449.db2.gz UVHRQKPMIOSVGS-LBPRGKRZSA-N 2 1 291.317 2.235 10 0 CEAEMP C[N@@H+](Cc1cc(C[NH3+])ccc1F)[C@H]1CCSC1 ZINC000035725206 172379911 /nfs/dbraw/zinc/37/99/11/172379911.db2.gz PYJGQSNYEBNNRC-LBPRGKRZSA-N 2 1 254.374 2.222 10 0 CEAEMP CC(C)C[C@@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221705 173042389 /nfs/dbraw/zinc/04/23/89/173042389.db2.gz XAWYRTURERWXRS-XHSDSOJGSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000037221705 173042391 /nfs/dbraw/zinc/04/23/91/173042391.db2.gz XAWYRTURERWXRS-XHSDSOJGSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000037221705 173042393 /nfs/dbraw/zinc/04/23/93/173042393.db2.gz XAWYRTURERWXRS-XHSDSOJGSA-N 2 1 269.477 2.283 10 0 CEAEMP COCC[NH+](CCOC)C1(C[NH3+])CCCCCCC1 ZINC000037489443 173231916 /nfs/dbraw/zinc/23/19/16/173231916.db2.gz WAABUPKUPKOIOC-UHFFFAOYSA-N 2 1 272.433 2.023 10 0 CEAEMP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622557 174355869 /nfs/dbraw/zinc/35/58/69/174355869.db2.gz RVBXLQYALQDQAX-HOTGVXAUSA-N 3 1 281.488 2.427 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CN3CCC2CC3)([NH+](C)C)C1 ZINC000040668653 174367690 /nfs/dbraw/zinc/36/76/90/174367690.db2.gz FFAJFPSYCMKZQP-OIISXLGYSA-N 2 1 279.472 2.181 10 0 CEAEMP COC(=O)CCC[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669230 174367937 /nfs/dbraw/zinc/36/79/37/174367937.db2.gz DZQKXNUTBWKNDQ-ZFWWWQNUSA-N 2 1 270.417 2.040 10 0 CEAEMP COC(=O)CCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669226 174368187 /nfs/dbraw/zinc/36/81/87/174368187.db2.gz DZQKXNUTBWKNDQ-DZGCQCFKSA-N 2 1 270.417 2.040 10 0 CEAEMP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)C1=CCCCC1 ZINC000040750069 174395125 /nfs/dbraw/zinc/39/51/25/174395125.db2.gz JQJSCYIEPYIICE-VHRNVKJDSA-N 2 1 291.439 2.247 10 0 CEAEMP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)C1=CCCCC1 ZINC000040750069 174395126 /nfs/dbraw/zinc/39/51/26/174395126.db2.gz JQJSCYIEPYIICE-VHRNVKJDSA-N 2 1 291.439 2.247 10 0 CEAEMP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818463 175112812 /nfs/dbraw/zinc/11/28/12/175112812.db2.gz AVGZFMWQRXJICZ-ROUUACIJSA-N 2 1 287.451 2.290 10 0 CEAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000043889935 175117809 /nfs/dbraw/zinc/11/78/09/175117809.db2.gz LVQGZNMKOKZLHO-VHDGCEQUSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)C1CCCCCC1 ZINC000043899754 175121767 /nfs/dbraw/zinc/12/17/67/175121767.db2.gz QGOLJXRYJBQEPJ-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)C1CCCCCC1 ZINC000043899754 175121769 /nfs/dbraw/zinc/12/17/69/175121769.db2.gz QGOLJXRYJBQEPJ-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H](CC)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970793 175132074 /nfs/dbraw/zinc/13/20/74/175132074.db2.gz SBDIJELGMVZWOJ-GOEBONIOSA-N 3 1 269.477 2.427 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](CCCOC)CCOC ZINC000043970979 175132251 /nfs/dbraw/zinc/13/22/51/175132251.db2.gz QTMAYHYNPZESGE-JKSUJKDBSA-N 2 1 286.460 2.282 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CCCOC)CCOC ZINC000043970979 175132252 /nfs/dbraw/zinc/13/22/52/175132252.db2.gz QTMAYHYNPZESGE-JKSUJKDBSA-N 2 1 286.460 2.282 10 0 CEAEMP C[N@@H+](CC(=O)Nc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068449 175299946 /nfs/dbraw/zinc/29/99/46/175299946.db2.gz UUBCIQXKUWPXQJ-UHFFFAOYSA-N 2 1 263.385 2.062 10 0 CEAEMP CCCC[N@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045368372 175362889 /nfs/dbraw/zinc/36/28/89/175362889.db2.gz GCVNYKZUEOLUTI-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045368372 175362890 /nfs/dbraw/zinc/36/28/90/175362890.db2.gz GCVNYKZUEOLUTI-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045368217 175363134 /nfs/dbraw/zinc/36/31/34/175363134.db2.gz ZJOQAVHDVVJRPZ-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045368217 175363135 /nfs/dbraw/zinc/36/31/35/175363135.db2.gz ZJOQAVHDVVJRPZ-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045368232 175363320 /nfs/dbraw/zinc/36/33/20/175363320.db2.gz SBZAHTKTEMOLRD-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045368232 175363321 /nfs/dbraw/zinc/36/33/21/175363321.db2.gz SBZAHTKTEMOLRD-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@H+](CC)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045370655 175364317 /nfs/dbraw/zinc/36/43/17/175364317.db2.gz OUNAAAOGTIWHFZ-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045370655 175364318 /nfs/dbraw/zinc/36/43/18/175364318.db2.gz OUNAAAOGTIWHFZ-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[NH+](CC)CC)C(=O)OC ZINC000045375931 175366485 /nfs/dbraw/zinc/36/64/85/175366485.db2.gz IUPSXFWUTSZNMQ-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379086 175368384 /nfs/dbraw/zinc/36/83/84/175368384.db2.gz RARQMUNRBDWWNQ-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP C[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379132 175368543 /nfs/dbraw/zinc/36/85/43/175368543.db2.gz JFGBMHAKHQNDHF-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP C[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379132 175368545 /nfs/dbraw/zinc/36/85/45/175368545.db2.gz JFGBMHAKHQNDHF-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381820 175369944 /nfs/dbraw/zinc/36/99/44/175369944.db2.gz MMRRVBLDLIKNTK-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381820 175369945 /nfs/dbraw/zinc/36/99/45/175369945.db2.gz MMRRVBLDLIKNTK-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C(CC)CC)C(N)=O ZINC000045391459 175374548 /nfs/dbraw/zinc/37/45/48/175374548.db2.gz YSFXCKOFNARDSF-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419354 175377757 /nfs/dbraw/zinc/37/77/57/175377757.db2.gz NCMPGLFULYSGTJ-UXLLHSPISA-N 2 1 295.471 2.132 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420996 175380283 /nfs/dbraw/zinc/38/02/83/175380283.db2.gz XTUSCIKCZLXUIL-XJKSGUPXSA-N 2 1 285.476 2.377 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)c1cccc(OC)c1 ZINC000070400619 175910540 /nfs/dbraw/zinc/91/05/40/175910540.db2.gz HMKVQEAUTWAQCB-HNNXBMFYSA-N 2 1 257.337 2.176 10 0 CEAEMP CC[C@H](C)C[C@H](CC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148937 176044807 /nfs/dbraw/zinc/04/48/07/176044807.db2.gz YCRUNDUMMIARFS-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP C[C@@H](C[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071188446 176062514 /nfs/dbraw/zinc/06/25/14/176062514.db2.gz SWOCKCVDRCRMJJ-JZXOWHBKSA-N 2 1 289.467 2.391 10 0 CEAEMP Cc1cc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)ccc1F ZINC000071188360 176062865 /nfs/dbraw/zinc/06/28/65/176062865.db2.gz PDBDEKHROCMLIQ-CZUORRHYSA-N 2 1 279.403 2.017 10 0 CEAEMP Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188357 176063189 /nfs/dbraw/zinc/06/31/89/176063189.db2.gz IEEMEGRUDWEBFS-CJNGLKHVSA-N 2 1 279.403 2.017 10 0 CEAEMP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C)cc1C ZINC000071188855 176064036 /nfs/dbraw/zinc/06/40/36/176064036.db2.gz UHIFMSCWUDFMDA-AEFFLSMTSA-N 2 1 289.467 2.447 10 0 CEAEMP C[NH2+][C@@H]1CCCCCC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189002 176064319 /nfs/dbraw/zinc/06/43/19/176064319.db2.gz JZKBBHAOMRZYLG-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188971 176064336 /nfs/dbraw/zinc/06/43/36/176064336.db2.gz TUIORZVYWGLZNB-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188971 176064337 /nfs/dbraw/zinc/06/43/37/176064337.db2.gz TUIORZVYWGLZNB-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188971 176064338 /nfs/dbraw/zinc/06/43/38/176064338.db2.gz TUIORZVYWGLZNB-CABCVRRESA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188971 176064339 /nfs/dbraw/zinc/06/43/39/176064339.db2.gz TUIORZVYWGLZNB-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188971 176064340 /nfs/dbraw/zinc/06/43/40/176064340.db2.gz TUIORZVYWGLZNB-CABCVRRESA-N 2 1 255.450 2.038 10 0 CEAEMP CN(CC[C@H]([NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191265 176070427 /nfs/dbraw/zinc/07/04/27/176070427.db2.gz PKTLPVVINSSAAO-CJNGLKHVSA-N 2 1 279.403 2.099 10 0 CEAEMP COCC[N@@H+](CCCCCC[NH2+]C1CC1)[C@H](C)COC ZINC000071289725 176110420 /nfs/dbraw/zinc/11/04/20/176110420.db2.gz GHBRCEWPMNLCDU-OAHLLOKOSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccnn2C)C1 ZINC000071333313 176125953 /nfs/dbraw/zinc/12/59/53/176125953.db2.gz ZHUYSAGUVCPVNP-KGLIPLIRSA-N 2 1 264.417 2.020 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccnn2C)C1 ZINC000071333313 176125955 /nfs/dbraw/zinc/12/59/55/176125955.db2.gz ZHUYSAGUVCPVNP-KGLIPLIRSA-N 2 1 264.417 2.020 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342147 176130496 /nfs/dbraw/zinc/13/04/96/176130496.db2.gz UZRHJYYZTAADGV-IRXDYDNUSA-N 2 1 290.455 2.290 10 0 CEAEMP c1csc([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260289 415729543 /nfs/dbraw/zinc/72/95/43/415729543.db2.gz KNAAJEJRWCKMPI-QWHCGFSZSA-N 2 1 293.436 2.191 10 0 CEAEMP c1csc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260289 415729549 /nfs/dbraw/zinc/72/95/49/415729549.db2.gz KNAAJEJRWCKMPI-QWHCGFSZSA-N 2 1 293.436 2.191 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H](CC[NH3+])O1 ZINC000071589153 176217435 /nfs/dbraw/zinc/21/74/35/176217435.db2.gz BKXKMJIRZNGDCZ-ZBFHGGJFSA-N 2 1 262.397 2.057 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]12 ZINC000261588643 295321306 /nfs/dbraw/zinc/32/13/06/295321306.db2.gz VVCVOOPZBVQQKM-FDYHWXHSSA-N 2 1 258.356 2.481 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CN(C)C)CCCC1 ZINC000061653474 519912753 /nfs/dbraw/zinc/91/27/53/519912753.db2.gz QNSOJLPFDCLIKH-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H]2CN(C)C)CCCC1 ZINC000061653474 519912755 /nfs/dbraw/zinc/91/27/55/519912755.db2.gz QNSOJLPFDCLIKH-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC(C)C)C2CC2)O1 ZINC000052515884 519954128 /nfs/dbraw/zinc/95/41/28/519954128.db2.gz NABXDVQJHHTHOJ-LSDHHAIUSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@](C)(CC[NH+]1CCC(CCC)CC1)C(N)=O ZINC000050905571 520106067 /nfs/dbraw/zinc/10/60/67/520106067.db2.gz WDERUGONZZCMKE-MRXNPFEDSA-N 2 1 283.460 2.132 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](CC)Cc1ccccc1 ZINC000062740799 520307806 /nfs/dbraw/zinc/30/78/06/520307806.db2.gz NWUOMKATGURBKK-OAHLLOKOSA-N 2 1 250.386 2.262 10 0 CEAEMP C[NH2+]CC1(C[N@H+](C)Cc2ccc(C)o2)CCOCC1 ZINC000052181552 521966549 /nfs/dbraw/zinc/96/65/49/521966549.db2.gz WVYDIUADEJNUDQ-UHFFFAOYSA-N 2 1 266.385 2.036 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccc(C)o2)CCOCC1 ZINC000052181552 521966559 /nfs/dbraw/zinc/96/65/59/521966559.db2.gz WVYDIUADEJNUDQ-UHFFFAOYSA-N 2 1 266.385 2.036 10 0 CEAEMP C(C[N@H+]1CCC[C@@H]1C1CCCC1)[NH2+]C1CCOCC1 ZINC000062767795 518388720 /nfs/dbraw/zinc/38/87/20/518388720.db2.gz SJGMJMZKGLWKIG-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419884 519721004 /nfs/dbraw/zinc/72/10/04/519721004.db2.gz ZVKMREPYLQDDGM-CQSZACIVSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H](C)C2)O1 ZINC000052484650 519746484 /nfs/dbraw/zinc/74/64/84/519746484.db2.gz IQBBGRMXBBLCMF-KFWWJZLASA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)CC(C)(C)C)nn1 ZINC000052570126 519748062 /nfs/dbraw/zinc/74/80/62/519748062.db2.gz YTHQGHULYXWUSB-UHFFFAOYSA-N 2 1 281.448 2.002 10 0 CEAEMP CCC[NH2+]C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000051086780 519906548 /nfs/dbraw/zinc/90/65/48/519906548.db2.gz WDCANHTUOLIVLU-MRXNPFEDSA-N 2 1 274.408 2.454 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+]2C[C@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183146 519911094 /nfs/dbraw/zinc/91/10/94/519911094.db2.gz PVSJVYCTNBXGJS-HNNXBMFYSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2C[C@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183146 519911097 /nfs/dbraw/zinc/91/10/97/519911097.db2.gz PVSJVYCTNBXGJS-HNNXBMFYSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480092 519913072 /nfs/dbraw/zinc/91/30/72/519913072.db2.gz OQUDMGUPEKXZFR-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)CCOC)oc1C ZINC000052572806 519944284 /nfs/dbraw/zinc/94/42/84/519944284.db2.gz UVUDIAIEKPRQIT-UHFFFAOYSA-N 2 1 254.374 2.166 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000052382657 519950661 /nfs/dbraw/zinc/95/06/61/519950661.db2.gz IMYNGRKMIRCTNB-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1 ZINC000052382657 519950667 /nfs/dbraw/zinc/95/06/67/519950667.db2.gz IMYNGRKMIRCTNB-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1c2ccccc2oc1C[NH+]1CCN(C)CC1 ZINC000052379484 519985564 /nfs/dbraw/zinc/98/55/64/519985564.db2.gz GYVOKHSJAIKOCG-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP CC[NH2+]Cc1c2ccccc2oc1CN1CC[NH+](C)CC1 ZINC000052379484 519985570 /nfs/dbraw/zinc/98/55/70/519985570.db2.gz GYVOKHSJAIKOCG-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@@H](C)CC)on1 ZINC000052547322 519988455 /nfs/dbraw/zinc/98/84/55/519988455.db2.gz YXJJFMVUJMURRA-LBPRGKRZSA-N 2 1 269.389 2.031 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000062532825 519999008 /nfs/dbraw/zinc/99/90/08/519999008.db2.gz NSJODUOZENSYKL-HNNXBMFYSA-N 2 1 295.471 2.276 10 0 CEAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)[C@@H](C)COC)c1 ZINC000052511639 520006103 /nfs/dbraw/zinc/00/61/03/520006103.db2.gz LMQNEHMPYAKEKB-AWEZNQCLSA-N 2 1 280.412 2.142 10 0 CEAEMP CCC[NH2+][C@@H](C[N@H+](C)CC1CCOCC1)C1CC1 ZINC000069075839 520006606 /nfs/dbraw/zinc/00/66/06/520006606.db2.gz FGMMPEGKWCVISQ-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H](C[N@@H+](C)CC1CCOCC1)C1CC1 ZINC000069075839 520006610 /nfs/dbraw/zinc/00/66/10/520006610.db2.gz FGMMPEGKWCVISQ-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC000054560652 520122027 /nfs/dbraw/zinc/12/20/27/520122027.db2.gz TWVMCQIOBJVZPR-QKPAOTATSA-N 2 1 270.461 2.349 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648121 520139246 /nfs/dbraw/zinc/13/92/46/520139246.db2.gz BZUDOFCBFNNCQD-VYDXJSESSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648121 520139251 /nfs/dbraw/zinc/13/92/51/520139251.db2.gz BZUDOFCBFNNCQD-VYDXJSESSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[NH2+][C@H](c1ccc(OC)c(OC)c1)c1c[nH+]ccc1N ZINC000070320309 520208433 /nfs/dbraw/zinc/20/84/33/520208433.db2.gz SMTVUGWAOLUDMT-MRXNPFEDSA-N 2 1 287.363 2.380 10 0 CEAEMP CC[NH+](CC)C[C@@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000052206272 520720951 /nfs/dbraw/zinc/72/09/51/520720951.db2.gz YOKBOLQQXFNSOU-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761077 521371918 /nfs/dbraw/zinc/37/19/18/521371918.db2.gz XFMRHLWVEKXIDH-UHFFFAOYSA-N 2 1 268.364 2.388 10 0 CEAEMP CC[N@@H+](Cc1cccs1)CC1(C[NH3+])CCOCC1 ZINC000052183462 521408362 /nfs/dbraw/zinc/40/83/62/521408362.db2.gz VTXHGOQNAIAVLC-UHFFFAOYSA-N 2 1 268.426 2.326 10 0 CEAEMP CC[NH+]1CCC(Cn2c[nH+]c3cc(N)ccc32)CC1 ZINC000052854796 521553512 /nfs/dbraw/zinc/55/35/12/521553512.db2.gz JXHOHJKNUDCLKW-UHFFFAOYSA-N 2 1 258.369 2.350 10 0 CEAEMP CC[C@H]1CCCC[N@H+]1CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052447628 523028387 /nfs/dbraw/zinc/02/83/87/523028387.db2.gz YRTZUAVNYNEIHT-HNNXBMFYSA-N 2 1 279.432 2.041 10 0 CEAEMP C[N@H+](Cc1cccnc1C(N)=[NH2+])CC1CCCCC1 ZINC000061658197 523420357 /nfs/dbraw/zinc/42/03/57/523420357.db2.gz IFYGQLVOZOBLSR-UHFFFAOYSA-N 2 1 260.385 2.378 10 0 CEAEMP C[N@H+](Cc1ccncc1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052481022 523460677 /nfs/dbraw/zinc/46/06/77/523460677.db2.gz GUIBPBZTBGFEEC-JKSUJKDBSA-N 2 1 291.439 2.449 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@H+]1C ZINC000068812061 523467295 /nfs/dbraw/zinc/46/72/95/523467295.db2.gz UGVDLAULGDDLHI-CABCVRRESA-N 2 1 287.407 2.459 10 0 CEAEMP CCn1cc[nH+]c1N(CCC[NH3+])c1ccccc1OC ZINC000050607892 523548650 /nfs/dbraw/zinc/54/86/50/523548650.db2.gz KRJLOWSWGSIAPG-UHFFFAOYSA-N 2 1 274.368 2.399 10 0 CEAEMP COCC[N@@H+](C)CCn1c(C)cc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000061380801 523617019 /nfs/dbraw/zinc/61/70/19/523617019.db2.gz LNASFFXWAGTSLT-HNNXBMFYSA-N 2 1 293.455 2.347 10 0 CEAEMP COCC[N@H+](C)CCn1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000061380863 523618760 /nfs/dbraw/zinc/61/87/60/523618760.db2.gz YTQIZQUDQWLWHC-UHFFFAOYSA-N 2 1 288.395 2.074 10 0 CEAEMP COCC[N@@H+](C)CCn1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000061380863 523618767 /nfs/dbraw/zinc/61/87/67/523618767.db2.gz YTQIZQUDQWLWHC-UHFFFAOYSA-N 2 1 288.395 2.074 10 0 CEAEMP C[N@@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)[C@@H]1CCSC1 ZINC000055022776 523622480 /nfs/dbraw/zinc/62/24/80/523622480.db2.gz RHYMNTSFRLTBDO-OLZOCXBDSA-N 2 1 263.410 2.491 10 0 CEAEMP COCC[N@@H+](Cc1cc(C[NH3+])c(C)o1)[C@H](C)C1CC1 ZINC000052545354 523739816 /nfs/dbraw/zinc/73/98/16/523739816.db2.gz XIYIYGISLCFQKF-LLVKDONJSA-N 2 1 266.385 2.294 10 0 CEAEMP CC[C@H](C)[N@@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052451265 523934219 /nfs/dbraw/zinc/93/42/19/523934219.db2.gz UJSFZKVYWHEFHD-ZDUSSCGKSA-N 2 1 281.448 2.287 10 0 CEAEMP C[C@H]1CCC[C@](C[NH2+]CCCCCO)([NH+](C)C)C1 ZINC000051021033 524223070 /nfs/dbraw/zinc/22/30/70/524223070.db2.gz WCTWMJJYHABZQK-GJZGRUSLSA-N 2 1 256.434 2.249 10 0 CEAEMP C[C@@H]([NH3+])[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514058 525017329 /nfs/dbraw/zinc/01/73/29/525017329.db2.gz ICXKGIAZPOIDDM-HIFRSBDPSA-N 2 1 264.413 2.243 10 0 CEAEMP C[C@@H]([NH3+])[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514058 525017334 /nfs/dbraw/zinc/01/73/34/525017334.db2.gz ICXKGIAZPOIDDM-HIFRSBDPSA-N 2 1 264.413 2.243 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@H+]1C ZINC000068812047 525055187 /nfs/dbraw/zinc/05/51/87/525055187.db2.gz RORHBMBAIXLTLA-OCCSQVGLSA-N 2 1 273.380 2.069 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000054796810 525459591 /nfs/dbraw/zinc/45/95/91/525459591.db2.gz LTKRWGRXCAWOCL-UHFFFAOYSA-N 2 1 250.390 2.071 10 0 CEAEMP Cc1cn2c(C[NH2+][C@@H](C)CC[NH+](C)C)c(C)nc2s1 ZINC000049553914 525916178 /nfs/dbraw/zinc/91/61/78/525916178.db2.gz QCXSNQHSMSJTPW-JTQLQIEISA-N 2 1 280.441 2.442 10 0 CEAEMP c1ccc(C[NH+]2CCN(C3CC3)CC2)c(C[NH2+]C2CC2)c1 ZINC000052371421 526470203 /nfs/dbraw/zinc/47/02/03/526470203.db2.gz GXOYOWQTXPYQNU-UHFFFAOYSA-N 2 1 285.435 2.219 10 0 CEAEMP c1csc(CC[N@H+]2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000053012781 526577105 /nfs/dbraw/zinc/57/71/05/526577105.db2.gz HWNLTRDORHKLFV-GFCCVEGCSA-N 2 1 250.411 2.365 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCCC[N@H+]1C ZINC000052854194 527122175 /nfs/dbraw/zinc/12/21/75/527122175.db2.gz ADZMWLLNNSGEPV-ZDUSSCGKSA-N 2 1 258.369 2.411 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCCC[N@@H+]1C ZINC000052854194 527122179 /nfs/dbraw/zinc/12/21/79/527122179.db2.gz ADZMWLLNNSGEPV-ZDUSSCGKSA-N 2 1 258.369 2.411 10 0 CEAEMP [NH3+]Cc1ccoc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417115 527262755 /nfs/dbraw/zinc/26/27/55/527262755.db2.gz OJRRALZEMUTIAK-UHFFFAOYSA-N 2 1 285.391 2.056 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757140875 574510194 /nfs/dbraw/zinc/51/01/94/574510194.db2.gz JONSFGKNZLOPLD-GFCCVEGCSA-N 2 1 252.402 2.412 10 0 CEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC1(CCCCC1)CO2 ZINC000757147872 574510553 /nfs/dbraw/zinc/51/05/53/574510553.db2.gz MSMAYYZHYCDKDG-HNNXBMFYSA-N 2 1 252.402 2.369 10 0 CEAEMP OC[C@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261766728 623450117 /nfs/dbraw/zinc/45/01/17/623450117.db2.gz MUELBUYCAXBBJT-WMZOPIPTSA-N 2 1 288.435 2.012 10 0 CEAEMP OC[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261765412 629186984 /nfs/dbraw/zinc/18/69/84/629186984.db2.gz MUELBUYCAXBBJT-FUHWJXTLSA-N 2 1 288.435 2.012 10 0 CEAEMP Fc1cccnc1O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261955059 629389475 /nfs/dbraw/zinc/38/94/75/629389475.db2.gz OOIIWUSURSYMRW-ZIAGYGMSSA-N 2 1 293.386 2.064 10 0 CEAEMP Fc1cccnc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261955059 629389480 /nfs/dbraw/zinc/38/94/80/629389480.db2.gz OOIIWUSURSYMRW-ZIAGYGMSSA-N 2 1 293.386 2.064 10 0 CEAEMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261630673 282084119 /nfs/dbraw/zinc/08/41/19/282084119.db2.gz FGLNTHCNBZTBOY-MRXNPFEDSA-N 2 1 284.407 2.497 10 0 CEAEMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261630673 282084120 /nfs/dbraw/zinc/08/41/20/282084120.db2.gz FGLNTHCNBZTBOY-MRXNPFEDSA-N 2 1 284.407 2.497 10 0 CEAEMP C[NH+](C)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000122454913 282085358 /nfs/dbraw/zinc/08/53/58/282085358.db2.gz QFGHRDQWBRVIGB-XHSDSOJGSA-N 2 1 268.445 2.344 10 0 CEAEMP Cc1cccnc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328623648 344756682 /nfs/dbraw/zinc/75/66/82/344756682.db2.gz CAMCKNROJIJVAB-AWEZNQCLSA-N 2 1 270.380 2.281 10 0 CEAEMP Cc1cccnc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328623648 344756684 /nfs/dbraw/zinc/75/66/84/344756684.db2.gz CAMCKNROJIJVAB-AWEZNQCLSA-N 2 1 270.380 2.281 10 0 CEAEMP C[C@@H]1CC[C@](C[NH3+])(N2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000084989645 178939676 /nfs/dbraw/zinc/93/96/76/178939676.db2.gz OLDHUJVGXKCPRU-VYDXJSESSA-N 2 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000085469562 179074830 /nfs/dbraw/zinc/07/48/30/179074830.db2.gz PCTTUXRLJPLZNQ-CQSZACIVSA-N 2 1 264.417 2.044 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529080 179091002 /nfs/dbraw/zinc/09/10/02/179091002.db2.gz GLIGBVLAABZJEI-INIZCTEOSA-N 2 1 288.439 2.188 10 0 CEAEMP CC(C)Cc1nc2c(n1[C@@H]1CC[N@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573008 179097885 /nfs/dbraw/zinc/09/78/85/179097885.db2.gz JDIUZGVKAHOBJJ-CQSZACIVSA-N 2 1 288.439 2.137 10 0 CEAEMP CCn1cc(C[N@@H+]2C[C@](C)(C3CC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623783 179106878 /nfs/dbraw/zinc/10/68/78/179106878.db2.gz AHPFNAWPVVODIG-XJKSGUPXSA-N 2 1 276.428 2.256 10 0 CEAEMP CCn1cc(C[N@H+]2C[C@](C)(C3CC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623783 179106879 /nfs/dbraw/zinc/10/68/79/179106879.db2.gz AHPFNAWPVVODIG-XJKSGUPXSA-N 2 1 276.428 2.256 10 0 CEAEMP CCOCC[N@H+]1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085620768 179105658 /nfs/dbraw/zinc/10/56/58/179105658.db2.gz NJTGGCGECGTCQT-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675098 179112022 /nfs/dbraw/zinc/11/20/22/179112022.db2.gz YWSASQBWGXZFNO-KKUMJFAQSA-N 2 1 266.429 2.264 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146524 179238495 /nfs/dbraw/zinc/23/84/95/179238495.db2.gz YLYXUBSZBDWAIV-HRCADAONSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086143112 179237664 /nfs/dbraw/zinc/23/76/64/179237664.db2.gz VWIWCSKGSHEYCK-SJORKVTESA-N 2 1 279.472 2.325 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086171838 179243728 /nfs/dbraw/zinc/24/37/28/179243728.db2.gz ZWDJAZIYFMYXLL-BRWVUGGUSA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@H](C)[C@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086173848 179244794 /nfs/dbraw/zinc/24/47/94/179244794.db2.gz DOYYFNQAINNHNT-XJNFMUPTSA-N 2 1 279.472 2.322 10 0 CEAEMP CC[C@H]1CN[C@H](C)C[N@H+]1CCCC[NH+](C)C(C)C ZINC000086174318 179245313 /nfs/dbraw/zinc/24/53/13/179245313.db2.gz DHLDPFQEXONBIR-CABCVRRESA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1CN[C@H](C)C[NH+]1CCCC[N@H+](C)C(C)C ZINC000086174318 179245315 /nfs/dbraw/zinc/24/53/15/179245315.db2.gz DHLDPFQEXONBIR-CABCVRRESA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1CN[C@H](C)C[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086174318 179245317 /nfs/dbraw/zinc/24/53/17/179245317.db2.gz DHLDPFQEXONBIR-CABCVRRESA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C)CN1CCCC[N@H+](C)C(C)C ZINC000086174318 179245319 /nfs/dbraw/zinc/24/53/19/179245319.db2.gz DHLDPFQEXONBIR-CABCVRRESA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C)CN1CCCC[N@@H+](C)C(C)C ZINC000086174318 179245322 /nfs/dbraw/zinc/24/53/22/179245322.db2.gz DHLDPFQEXONBIR-CABCVRRESA-N 2 1 255.450 2.179 10 0 CEAEMP CCC[C@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146747 179239887 /nfs/dbraw/zinc/23/98/87/179239887.db2.gz CBPHLNMJDFMPLA-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146747 179239888 /nfs/dbraw/zinc/23/98/88/179239888.db2.gz CBPHLNMJDFMPLA-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146747 179239890 /nfs/dbraw/zinc/23/98/90/179239890.db2.gz CBPHLNMJDFMPLA-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146747 179239891 /nfs/dbraw/zinc/23/98/91/179239891.db2.gz CBPHLNMJDFMPLA-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146747 179239892 /nfs/dbraw/zinc/23/98/92/179239892.db2.gz CBPHLNMJDFMPLA-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086223187 179252220 /nfs/dbraw/zinc/25/22/20/179252220.db2.gz JULHOFGPJNXNKC-NJAFHUGGSA-N 2 1 287.451 2.363 10 0 CEAEMP C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223985 179253204 /nfs/dbraw/zinc/25/32/04/179253204.db2.gz MGPTTXKCUUSMIR-CGTJXYLNSA-N 2 1 287.451 2.290 10 0 CEAEMP CC[C@@]1(C)CN([C@@H]2CC[N@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259596 179258268 /nfs/dbraw/zinc/25/82/68/179258268.db2.gz PJDKVFQODQMQJL-IKGGRYGDSA-N 2 1 279.472 2.322 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259223 179258654 /nfs/dbraw/zinc/25/86/54/179258654.db2.gz OLRRCYQUADKSIX-PVAVHDDUSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259630 179259094 /nfs/dbraw/zinc/25/90/94/179259094.db2.gz GMIXWBXCYXNFQK-NUEKZKHPSA-N 2 1 265.445 2.076 10 0 CEAEMP C[N@H+]1CCC[C@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288944 179264841 /nfs/dbraw/zinc/26/48/41/179264841.db2.gz RLFUZLCVOSYRSE-IRXDYDNUSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[C@H]1C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086297990 179268947 /nfs/dbraw/zinc/26/89/47/179268947.db2.gz NTDULKWHIZRYMX-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[C@H]1C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086297990 179268950 /nfs/dbraw/zinc/26/89/50/179268950.db2.gz NTDULKWHIZRYMX-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298006 179269126 /nfs/dbraw/zinc/26/91/26/179269126.db2.gz MMKDVQDNHRQOPD-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP C[N@@H+](CCc1cccs1)Cc1ccc(NN)[nH+]c1 ZINC000086441623 179292747 /nfs/dbraw/zinc/29/27/47/179292747.db2.gz UNDVUSPSSBAGQZ-UHFFFAOYSA-N 2 1 262.382 2.103 10 0 CEAEMP CCC1CCC(C[NH3+])(OC[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000086713154 179322713 /nfs/dbraw/zinc/32/27/13/179322713.db2.gz LTADIOCFDKBDIV-CGZBRXJRSA-N 2 1 298.471 2.410 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]CCOC2CCCCC2)CC1 ZINC000086819130 179348628 /nfs/dbraw/zinc/34/86/28/179348628.db2.gz YCTSAAIYXODFSR-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(CC)C(C)C)CC1 ZINC000086846714 179355748 /nfs/dbraw/zinc/35/57/48/179355748.db2.gz ZDAJXCDHIQRGCY-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848520 179356242 /nfs/dbraw/zinc/35/62/42/179356242.db2.gz YQPMFVZFCNJDRA-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848518 179357207 /nfs/dbraw/zinc/35/72/07/179357207.db2.gz YQPMFVZFCNJDRA-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846977 179357330 /nfs/dbraw/zinc/35/73/30/179357330.db2.gz LTBWWFDQXSXAGO-MRXNPFEDSA-N 2 1 279.428 2.305 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835414 179350353 /nfs/dbraw/zinc/35/03/53/179350353.db2.gz NWWBTAGKULXZGZ-INIZCTEOSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[N@H+]1CCC[C@H](Nc2c[nH+]ccc2N(C)C)CC1 ZINC000086837875 179351642 /nfs/dbraw/zinc/35/16/42/179351642.db2.gz MMPPJQPMWHLBTL-ZDUSSCGKSA-N 2 1 262.401 2.434 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCCOCC2CC2)CC1 ZINC000086836824 179351857 /nfs/dbraw/zinc/35/18/57/179351857.db2.gz WBPZRQSYIYFZHP-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[NH+]1CCC(N[C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086842247 179352527 /nfs/dbraw/zinc/35/25/27/179352527.db2.gz TXRACDIZYWZIEL-OAHLLOKOSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC([NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086842247 179352528 /nfs/dbraw/zinc/35/25/28/179352528.db2.gz TXRACDIZYWZIEL-OAHLLOKOSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC([NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086842247 179352530 /nfs/dbraw/zinc/35/25/30/179352530.db2.gz TXRACDIZYWZIEL-OAHLLOKOSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842230 179353774 /nfs/dbraw/zinc/35/37/74/179353774.db2.gz HCWRGCGGSKTHSB-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CCOC(=O)CCC[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086845737 179354298 /nfs/dbraw/zinc/35/42/98/179354298.db2.gz XKQFUECFAQIYBN-AWEZNQCLSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCc2nccs2)CC1 ZINC000086844781 179354450 /nfs/dbraw/zinc/35/44/50/179354450.db2.gz QICJLMQPMRYTPF-GFCCVEGCSA-N 2 1 253.415 2.150 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000086846331 179355248 /nfs/dbraw/zinc/35/52/48/179355248.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)C2CCCCC2)CC1 ZINC000086846331 179355251 /nfs/dbraw/zinc/35/52/51/179355251.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)C2CCCCC2)CC1 ZINC000086846331 179355252 /nfs/dbraw/zinc/35/52/52/179355252.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086846331 179355255 /nfs/dbraw/zinc/35/52/55/179355255.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086846331 179355257 /nfs/dbraw/zinc/35/52/57/179355257.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[C@H]1CCC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000086950251 179368968 /nfs/dbraw/zinc/36/89/68/179368968.db2.gz BFLKKPKPJOWUPT-HOTGVXAUSA-N 2 1 295.471 2.099 10 0 CEAEMP COc1ccc([C@H]2[C@@H](C[NH3+])CC[N@@H+]2C2CC2)cc1F ZINC000086994953 179375931 /nfs/dbraw/zinc/37/59/31/179375931.db2.gz POAADTGAXKWGIQ-ABAIWWIYSA-N 2 1 264.344 2.318 10 0 CEAEMP COc1ccc([C@H]2[C@@H](C[NH3+])CC[N@H+]2C2CC2)cc1F ZINC000086994953 179375932 /nfs/dbraw/zinc/37/59/32/179375932.db2.gz POAADTGAXKWGIQ-ABAIWWIYSA-N 2 1 264.344 2.318 10 0 CEAEMP C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000087052785 179388901 /nfs/dbraw/zinc/38/89/01/179388901.db2.gz WWZPCJDNCOMWSK-RBSFLKMASA-N 2 1 254.418 2.002 10 0 CEAEMP CC[NH2+][C@@H](CSC(C)C)Cc1cc[nH+]c(N)c1 ZINC000087113305 179395129 /nfs/dbraw/zinc/39/51/29/179395129.db2.gz VXMMJULHVPPKTD-GFCCVEGCSA-N 2 1 253.415 2.326 10 0 CEAEMP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000087088928 179393451 /nfs/dbraw/zinc/39/34/51/179393451.db2.gz XXWPKYGJJNNMPL-CABCVRRESA-N 2 1 268.445 2.392 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911485 187398286 /nfs/dbraw/zinc/39/82/86/187398286.db2.gz ZKUOPKUHZOVJHC-STQMWFEESA-N 2 1 267.442 2.083 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3nnccc3c2)CC1 ZINC000616627208 348539733 /nfs/dbraw/zinc/53/97/33/348539733.db2.gz GPVADSPPEVKYSG-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3nnccc3c2)CC1 ZINC000616627208 348539736 /nfs/dbraw/zinc/53/97/36/348539736.db2.gz GPVADSPPEVKYSG-ZDUSSCGKSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616624508 348538711 /nfs/dbraw/zinc/53/87/11/348538711.db2.gz PNNNQRWHDJZMPE-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616624508 348538714 /nfs/dbraw/zinc/53/87/14/348538714.db2.gz PNNNQRWHDJZMPE-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566571 180006411 /nfs/dbraw/zinc/00/64/11/180006411.db2.gz OHLXFIMDKJQNKN-HOCLYGCPSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCCCC[C@@H]1C ZINC000090567058 180006659 /nfs/dbraw/zinc/00/66/59/180006659.db2.gz OJZVDNZRZJSVCK-RRFJBIMHSA-N 2 1 254.418 2.266 10 0 CEAEMP [NH3+]CC[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090874076 180049877 /nfs/dbraw/zinc/04/98/77/180049877.db2.gz RFZLUYLHNBSPHH-HNNXBMFYSA-N 2 1 260.381 2.193 10 0 CEAEMP [NH3+]CC[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090874076 180049878 /nfs/dbraw/zinc/04/98/78/180049878.db2.gz RFZLUYLHNBSPHH-HNNXBMFYSA-N 2 1 260.381 2.193 10 0 CEAEMP CC[C@](C)(C[NH3+])[N@H+](C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897019 180056858 /nfs/dbraw/zinc/05/68/58/180056858.db2.gz DXQDXXLXUMSILH-GOEBONIOSA-N 2 1 262.397 2.358 10 0 CEAEMP CC[C@](C)(C[NH3+])[N@@H+](C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897019 180056860 /nfs/dbraw/zinc/05/68/60/180056860.db2.gz DXQDXXLXUMSILH-GOEBONIOSA-N 2 1 262.397 2.358 10 0 CEAEMP CCC[NH2+][C@@H](C)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906099 180060722 /nfs/dbraw/zinc/06/07/22/180060722.db2.gz GHLQKKBMSOXLII-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[N@H+](C)CCCCNC(=O)c1csc([C@H](C)[NH3+])n1 ZINC000090953365 180074188 /nfs/dbraw/zinc/07/41/88/180074188.db2.gz OWRQVEBLMUVHCN-NSHDSACASA-N 2 1 298.456 2.013 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)c1csc([C@H](C)[NH3+])n1 ZINC000090953365 180074190 /nfs/dbraw/zinc/07/41/90/180074190.db2.gz OWRQVEBLMUVHCN-NSHDSACASA-N 2 1 298.456 2.013 10 0 CEAEMP c1ccc2c(c1)C[C@@H]2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000090976394 180079063 /nfs/dbraw/zinc/07/90/63/180079063.db2.gz SIIOSUBEOMLPPH-DZGCQCFKSA-N 2 1 256.393 2.400 10 0 CEAEMP CC(C)C[NH2+]Cc1nccn1Cc1c[nH+]cn1C1CC1 ZINC000091002717 180083953 /nfs/dbraw/zinc/08/39/53/180083953.db2.gz BUNBRMRCTRZUOO-UHFFFAOYSA-N 2 1 273.384 2.208 10 0 CEAEMP CCn1cccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000091025773 180089648 /nfs/dbraw/zinc/08/96/48/180089648.db2.gz SOOMTFOGMZGVES-GOOCMWNKSA-N 2 1 261.413 2.470 10 0 CEAEMP CC(C)n1cncc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000091273035 180118006 /nfs/dbraw/zinc/11/80/06/180118006.db2.gz VNDJEMHWNABDRM-CYBMUJFWSA-N 2 1 250.390 2.167 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000091273035 180118007 /nfs/dbraw/zinc/11/80/07/180118007.db2.gz VNDJEMHWNABDRM-CYBMUJFWSA-N 2 1 250.390 2.167 10 0 CEAEMP C[N@H+](CC[C@@H]1CSCC[NH2+]1)Cc1cccc(F)c1 ZINC000091292007 180123380 /nfs/dbraw/zinc/12/33/80/180123380.db2.gz LKWJPXRXQPNDFA-CQSZACIVSA-N 2 1 268.401 2.353 10 0 CEAEMP C[N@@H+](CC[C@@H]1CSCC[NH2+]1)Cc1cccc(F)c1 ZINC000091292007 180123383 /nfs/dbraw/zinc/12/33/83/180123383.db2.gz LKWJPXRXQPNDFA-CQSZACIVSA-N 2 1 268.401 2.353 10 0 CEAEMP CN(C)[C@H]1CCC[N@@H+](CCCC(C)(C)CC[NH3+])C1 ZINC000091392427 180144825 /nfs/dbraw/zinc/14/48/25/180144825.db2.gz MJJUYLFQOCYOEV-AWEZNQCLSA-N 2 1 255.450 2.168 10 0 CEAEMP C[NH+](C)[C@H]1CCCN(CCCC(C)(C)CC[NH3+])C1 ZINC000091392427 180144826 /nfs/dbraw/zinc/14/48/26/180144826.db2.gz MJJUYLFQOCYOEV-AWEZNQCLSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[NH2+][C@@H](C)CCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091394707 180145977 /nfs/dbraw/zinc/14/59/77/180145977.db2.gz ZOHKMOUUSGKBSN-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H](C)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091394707 180145979 /nfs/dbraw/zinc/14/59/79/180145979.db2.gz ZOHKMOUUSGKBSN-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](CCO)C1CCCC1 ZINC000091403822 180147318 /nfs/dbraw/zinc/14/73/18/180147318.db2.gz DDJZMZNKFZLGJR-CYBMUJFWSA-N 2 1 256.434 2.248 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000091405128 180147412 /nfs/dbraw/zinc/14/74/12/180147412.db2.gz MXSVLKOZIMILKM-CYBMUJFWSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@@H]([NH3+])C(C)(C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000091404834 180147464 /nfs/dbraw/zinc/14/74/64/180147464.db2.gz FHGXBEYGCRJTQI-CQSZACIVSA-N 2 1 267.461 2.168 10 0 CEAEMP C[NH2+][C@H](Cc1ccccn1)C(C)(C)[NH+]1CCCCC1 ZINC000091564719 180193719 /nfs/dbraw/zinc/19/37/19/180193719.db2.gz HQCZLGZWUYNCNS-OAHLLOKOSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[C@](C)([C@@H](O)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608884 180205553 /nfs/dbraw/zinc/20/55/53/180205553.db2.gz OGLHWLAHVDOTGS-LSDHHAIUSA-N 2 1 263.385 2.352 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccn1)C(C)(C)[NH+]1CCCC1 ZINC000091535139 180182040 /nfs/dbraw/zinc/18/20/40/180182040.db2.gz AMNCZARUWHMGBZ-OAHLLOKOSA-N 2 1 261.413 2.477 10 0 CEAEMP CC1CCC([C@@H](O)Cc2ccc[nH+]c2N)([NH+](C)C)CC1 ZINC000091648586 180216150 /nfs/dbraw/zinc/21/61/50/180216150.db2.gz HXJWEYMALQWQCT-UGWHAMFMSA-N 2 1 277.412 2.078 10 0 CEAEMP C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721285 180238024 /nfs/dbraw/zinc/23/80/24/180238024.db2.gz OWQFECWTKBGUKE-BMFZPTHFSA-N 2 1 294.826 2.334 10 0 CEAEMP C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721285 180238026 /nfs/dbraw/zinc/23/80/26/180238026.db2.gz OWQFECWTKBGUKE-BMFZPTHFSA-N 2 1 294.826 2.334 10 0 CEAEMP CC[NH2+][C@H](CCC[C@@H]1CCCO1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721989 180239919 /nfs/dbraw/zinc/23/99/19/180239919.db2.gz FYGULUVHJIQCTB-VQHPVUNQSA-N 2 1 296.455 2.177 10 0 CEAEMP CC[NH2+][C@H](CCC[C@@H]1CCCO1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721989 180239920 /nfs/dbraw/zinc/23/99/20/180239920.db2.gz FYGULUVHJIQCTB-VQHPVUNQSA-N 2 1 296.455 2.177 10 0 CEAEMP CC[NH2+][C@H](C1CCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721911 180240313 /nfs/dbraw/zinc/24/03/13/180240313.db2.gz WCCLXVDEASMDCC-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[NH2+][C@H](C1CCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721911 180240315 /nfs/dbraw/zinc/24/03/15/180240315.db2.gz WCCLXVDEASMDCC-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP [NH3+][C@@H]1CCCc2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722450 180240376 /nfs/dbraw/zinc/24/03/76/180240376.db2.gz WLGYZKBEYYDTNR-FOGDFJRCSA-N 2 1 279.409 2.015 10 0 CEAEMP COC(=O)[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000091847822 180271473 /nfs/dbraw/zinc/27/14/73/180271473.db2.gz ODFXXZZRKAQCFZ-UYSNPLJNSA-N 2 1 290.407 2.145 10 0 CEAEMP CC[N@@H+](Cc1nc(C(C)(C)C)no1)C1CCC([NH3+])CC1 ZINC000091850651 180271868 /nfs/dbraw/zinc/27/18/68/180271868.db2.gz MCULLNNMEVEVIW-UHFFFAOYSA-N 2 1 280.416 2.459 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000091870352 180276839 /nfs/dbraw/zinc/27/68/39/180276839.db2.gz VXXWGPZYEOCUIJ-NFOMZHRRSA-N 2 1 283.460 2.096 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000091870009 180277420 /nfs/dbraw/zinc/27/74/20/180277420.db2.gz HVIXQLOOVUJEAS-WLYUNCDWSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]C1CCC([N@H+](C)Cc2c(Cl)c(C)nn2C)CC1 ZINC000091872878 180277934 /nfs/dbraw/zinc/27/79/34/180277934.db2.gz YDSRSLRTORPHET-UHFFFAOYSA-N 2 1 284.835 2.344 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2c(Cl)c(C)nn2C)CC1 ZINC000091872878 180277935 /nfs/dbraw/zinc/27/79/35/180277935.db2.gz YDSRSLRTORPHET-UHFFFAOYSA-N 2 1 284.835 2.344 10 0 CEAEMP CC[NH2+][C@@H](c1ccn(C[C@@H]2C[N@@H+](C)CCO2)c1)C(C)C ZINC000092060383 180315109 /nfs/dbraw/zinc/31/51/09/180315109.db2.gz KBQZFPITZPFQBV-JKSUJKDBSA-N 2 1 279.428 2.125 10 0 CEAEMP CC[N@@H+](Cc1nc(C)ccc1O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091996216 180301719 /nfs/dbraw/zinc/30/17/19/180301719.db2.gz MQCUDIQTVGMYLJ-OCCSQVGLSA-N 2 1 263.385 2.045 10 0 CEAEMP CC(C)[NH2+]Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000092003349 180304996 /nfs/dbraw/zinc/30/49/96/180304996.db2.gz POXIHCDYBSHJDG-WBVHZDCISA-N 2 1 288.439 2.253 10 0 CEAEMP C[C@@H](C[N@@H+](C)C[C@@H]1Cc2ccccc2S1)C(N)=[NH2+] ZINC000092262294 180354176 /nfs/dbraw/zinc/35/41/76/180354176.db2.gz URCLPVDCMKINGJ-JQWIXIFHSA-N 2 1 263.410 2.207 10 0 CEAEMP C[C@H](C[N@@H+](C)CCSc1ccccc1)C(N)=[NH2+] ZINC000092262303 180354711 /nfs/dbraw/zinc/35/47/11/180354711.db2.gz NKRSDYKGQQSYBS-LLVKDONJSA-N 2 1 251.399 2.283 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300544 180358638 /nfs/dbraw/zinc/35/86/38/180358638.db2.gz UMEQQQYGCFNRTD-HUUCEWRRSA-N 2 1 274.408 2.483 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2c(C)noc2C)C1 ZINC000092339870 180365364 /nfs/dbraw/zinc/36/53/64/180365364.db2.gz IXHPPYHSNGYHNR-WCQYABFASA-N 2 1 251.374 2.284 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2c(C)noc2C)C1 ZINC000092339870 180365366 /nfs/dbraw/zinc/36/53/66/180365366.db2.gz IXHPPYHSNGYHNR-WCQYABFASA-N 2 1 251.374 2.284 10 0 CEAEMP CC[N@@H+](CCC(N)=[NH2+])Cc1ccnc2ccccc12 ZINC000092348137 180367279 /nfs/dbraw/zinc/36/72/79/180367279.db2.gz ZWUXZITVYCLKFC-UHFFFAOYSA-N 2 1 256.353 2.383 10 0 CEAEMP COc1ccc2c(c1)[C@H]([N@@H+]1CCC[NH2+]CC1)CCC2 ZINC000092387135 180374450 /nfs/dbraw/zinc/37/44/50/180374450.db2.gz KMCMGDRCRNLZGX-MRXNPFEDSA-N 2 1 260.381 2.368 10 0 CEAEMP COc1ccc2c(c1)[C@H]([N@H+]1CCC[NH2+]CC1)CCC2 ZINC000092387135 180374451 /nfs/dbraw/zinc/37/44/51/180374451.db2.gz KMCMGDRCRNLZGX-MRXNPFEDSA-N 2 1 260.381 2.368 10 0 CEAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(Cc2cccc(C)n2)CC1 ZINC000092427846 180383735 /nfs/dbraw/zinc/38/37/35/180383735.db2.gz USBGUUFIGALCNS-QGZVFWFLSA-N 2 1 290.455 2.025 10 0 CEAEMP CC[C@H](CC[NH3+])N1CCC[N@H+](Cc2cccc(C)n2)CC1 ZINC000092427846 180383736 /nfs/dbraw/zinc/38/37/36/180383736.db2.gz USBGUUFIGALCNS-QGZVFWFLSA-N 2 1 290.455 2.025 10 0 CEAEMP CC[C@H](CC[NH3+])N1CCC[N@@H+](Cc2cccc(C)n2)CC1 ZINC000092427846 180383737 /nfs/dbraw/zinc/38/37/37/180383737.db2.gz USBGUUFIGALCNS-QGZVFWFLSA-N 2 1 290.455 2.025 10 0 CEAEMP CCOc1ccccc1[C@H](C[NH3+])N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000107915919 186197589 /nfs/dbraw/zinc/19/75/89/186197589.db2.gz KRPJLOUPYLUIMS-HOCLYGCPSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2sccc2C)C[C@@H]1C ZINC000107919726 186197917 /nfs/dbraw/zinc/19/79/17/186197917.db2.gz ZHQNAACVJBGSED-STQMWFEESA-N 2 1 267.442 2.082 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)C[C@@H]1C ZINC000110921072 186332388 /nfs/dbraw/zinc/33/23/88/186332388.db2.gz QZCRYWKBHALFQM-WFASDCNBSA-N 2 1 281.831 2.366 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)s2)CC[N@H+]1C ZINC000110703963 186314556 /nfs/dbraw/zinc/31/45/56/186314556.db2.gz VLSCPXDKIHWWQH-STQMWFEESA-N 2 1 267.442 2.082 10 0 CEAEMP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704647 186314850 /nfs/dbraw/zinc/31/48/50/186314850.db2.gz GQMPDXLOUSKUNO-ZBFHGGJFSA-N 2 1 275.440 2.409 10 0 CEAEMP CCC[NH2+][C@H](CN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000110717255 186315652 /nfs/dbraw/zinc/31/56/52/186315652.db2.gz ZNXRQLJZAKBGTE-CQSZACIVSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[NH2+]CC1(CN2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000110745066 186319239 /nfs/dbraw/zinc/31/92/39/186319239.db2.gz XOMHJOVBTDLHGC-INIZCTEOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+]CCCC(C)C)CC[N@H+]1C ZINC000110757481 186320098 /nfs/dbraw/zinc/32/00/98/186320098.db2.gz QRHYMDIBKAURDH-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP C[C@H](C[NH2+]Cc1cccs1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757905 186320476 /nfs/dbraw/zinc/32/04/76/186320476.db2.gz AWFWNRRUGIPSHS-CYBMUJFWSA-N 2 1 281.469 2.252 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754713 186321170 /nfs/dbraw/zinc/32/11/70/186321170.db2.gz KBOMYKPBSHUQMK-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1ccc(C[NH3+])cc1F ZINC000111117185 186355699 /nfs/dbraw/zinc/35/56/99/186355699.db2.gz QXBIQZFLWNRPNS-UHFFFAOYSA-N 2 1 254.349 2.143 10 0 CEAEMP CCC[C@@]1(C[N@@H+](C)CC2CCOCC2)CC[NH2+]C1 ZINC000111179358 186366455 /nfs/dbraw/zinc/36/64/55/186366455.db2.gz GRXVVTIGABYPRB-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151338025 366640141 /nfs/dbraw/zinc/64/01/41/366640141.db2.gz SFYGSMQDYYJRFN-RDJZCZTQSA-N 2 1 276.424 2.492 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000178302057 189104898 /nfs/dbraw/zinc/10/48/98/189104898.db2.gz YTBXDLVVDWIDSY-HNNXBMFYSA-N 2 1 256.353 2.251 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000178302057 189104899 /nfs/dbraw/zinc/10/48/99/189104899.db2.gz YTBXDLVVDWIDSY-HNNXBMFYSA-N 2 1 256.353 2.251 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1cnccn1 ZINC000184601935 189390006 /nfs/dbraw/zinc/39/00/06/189390006.db2.gz BEMPWMNGZFHLPV-JSGCOSHPSA-N 2 1 271.368 2.207 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cnccn1 ZINC000184601935 189390007 /nfs/dbraw/zinc/39/00/07/189390007.db2.gz BEMPWMNGZFHLPV-JSGCOSHPSA-N 2 1 271.368 2.207 10 0 CEAEMP C[N@@H+](Cc1ccnc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000095071152 364330895 /nfs/dbraw/zinc/33/08/95/364330895.db2.gz IMPZBJNGHMLPOE-GFCCVEGCSA-N 2 1 298.228 2.276 10 0 CEAEMP C[N@H+](Cc1ccnc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000095071152 364330898 /nfs/dbraw/zinc/33/08/98/364330898.db2.gz IMPZBJNGHMLPOE-GFCCVEGCSA-N 2 1 298.228 2.276 10 0 CEAEMP Brc1c[nH+]ccc1NC1CC[NH2+]CC1 ZINC000159887612 366956972 /nfs/dbraw/zinc/95/69/72/366956972.db2.gz PVWRIXBCJYDEGT-UHFFFAOYSA-N 2 1 256.147 2.008 10 0 CEAEMP Nc1ccc(N[C@@H]2CCC[N@H+](CC3CC3)CC2)c[nH+]1 ZINC000583623199 367072859 /nfs/dbraw/zinc/07/28/59/367072859.db2.gz UAYJYYIAGNCZMV-CYBMUJFWSA-N 2 1 260.385 2.171 10 0 CEAEMP Nc1ccc(N[C@@H]2CCC[N@@H+](CC3CC3)CC2)c[nH+]1 ZINC000583623199 367072867 /nfs/dbraw/zinc/07/28/67/367072867.db2.gz UAYJYYIAGNCZMV-CYBMUJFWSA-N 2 1 260.385 2.171 10 0 CEAEMP Cc1cc(C)cc(OCC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843664 367586507 /nfs/dbraw/zinc/58/65/07/367586507.db2.gz RIOZBCJQKNCGAH-GJZGRUSLSA-N 2 1 262.397 2.209 10 0 CEAEMP C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842623 367583358 /nfs/dbraw/zinc/58/33/58/367583358.db2.gz CTTDDKRSKVHHFW-STQMWFEESA-N 2 1 266.360 2.121 10 0 CEAEMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631841913 367584402 /nfs/dbraw/zinc/58/44/02/367584402.db2.gz RQKKXOAHVCSUQG-NEPJUHHUSA-N 2 1 295.814 2.195 10 0 CEAEMP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843192 367586252 /nfs/dbraw/zinc/58/62/52/367586252.db2.gz KDZOZLPHZKITGN-NWDGAFQWSA-N 2 1 268.788 2.245 10 0 CEAEMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C1CCOCC1 ZINC000188266980 369329233 /nfs/dbraw/zinc/32/92/33/369329233.db2.gz LVTMXVYUGQXLPY-IAGOWNOFSA-N 2 1 298.471 2.138 10 0 CEAEMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C1CCOCC1 ZINC000188266980 369329239 /nfs/dbraw/zinc/32/92/39/369329239.db2.gz LVTMXVYUGQXLPY-IAGOWNOFSA-N 2 1 298.471 2.138 10 0 CEAEMP CCOCC[N@H+]1CCN(c2cc[nH+]cc2C)C[C@@H]1CC ZINC000191980683 369760191 /nfs/dbraw/zinc/76/01/91/369760191.db2.gz NQYBMFGINWCXFO-HNNXBMFYSA-N 2 1 277.412 2.327 10 0 CEAEMP CC(=O)c1ccccc1OCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669229 370485082 /nfs/dbraw/zinc/48/50/82/370485082.db2.gz NENXLTGFVKLOKQ-HNNXBMFYSA-N 2 1 290.407 2.342 10 0 CEAEMP CC(=O)c1ccccc1OCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669229 370485088 /nfs/dbraw/zinc/48/50/88/370485088.db2.gz NENXLTGFVKLOKQ-HNNXBMFYSA-N 2 1 290.407 2.342 10 0 CEAEMP C[C@@H]1CN(c2cc[nH+]cc2Br)C[C@H]1[NH+](C)C ZINC000252831695 371480846 /nfs/dbraw/zinc/48/08/46/371480846.db2.gz MSJAPXLUFQITFZ-BXKDBHETSA-N 2 1 284.201 2.230 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSc3ccccc3)C[C@@H]12 ZINC000261558241 371645641 /nfs/dbraw/zinc/64/56/41/371645641.db2.gz DBNBYFAWUNPPNB-NWANDNLSSA-N 2 1 262.422 2.448 10 0 CEAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261579379 371659895 /nfs/dbraw/zinc/65/98/95/371659895.db2.gz DTURRIKELYQHGP-DLKVLKDVSA-N 2 1 260.381 2.425 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@@H]12 ZINC000261789390 371732809 /nfs/dbraw/zinc/73/28/09/371732809.db2.gz QHXPBIVYRXKXIJ-BZUAXINKSA-N 2 1 267.376 2.404 10 0 CEAEMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC000261793863 371733609 /nfs/dbraw/zinc/73/36/09/371733609.db2.gz OSEUCLYXSCCCQX-HNSVSWJLSA-N 2 1 288.439 2.130 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261992619 371792743 /nfs/dbraw/zinc/79/27/43/371792743.db2.gz SZBDQOLLRYEHQW-UAGQMJEPSA-N 2 1 292.398 2.381 10 0 CEAEMP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261975716 371788479 /nfs/dbraw/zinc/78/84/79/371788479.db2.gz RARJMKZMIIPWFD-GVDBMIGSSA-N 2 1 296.455 2.082 10 0 CEAEMP C[C@@]1(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039520 371807662 /nfs/dbraw/zinc/80/76/62/371807662.db2.gz OZDDWCYYIAWCKK-XJKSGUPXSA-N 2 1 290.411 2.126 10 0 CEAEMP C[C@@]1(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039520 371807670 /nfs/dbraw/zinc/80/76/70/371807670.db2.gz OZDDWCYYIAWCKK-XJKSGUPXSA-N 2 1 290.411 2.126 10 0 CEAEMP CC[N@@H+](CCO)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000302231357 379339665 /nfs/dbraw/zinc/33/96/65/379339665.db2.gz XMJVSTHAHLMWMK-UHFFFAOYSA-N 2 1 277.343 2.100 10 0 CEAEMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1ccncc1Cl ZINC000301696509 379298542 /nfs/dbraw/zinc/29/85/42/379298542.db2.gz BHJRCOABSICYDO-QWHCGFSZSA-N 2 1 295.814 2.161 10 0 CEAEMP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]cc1Cl ZINC000301696509 379298548 /nfs/dbraw/zinc/29/85/48/379298548.db2.gz BHJRCOABSICYDO-QWHCGFSZSA-N 2 1 295.814 2.161 10 0 CEAEMP CC[NH2+][C@@](C)(CO)CCCC[N@@H+](C)[C@@H](C)C(C)C ZINC000085240368 184608159 /nfs/dbraw/zinc/60/81/59/184608159.db2.gz GGLLLTYLJGHYEE-LSDHHAIUSA-N 2 1 258.450 2.494 10 0 CEAEMP C[N@@H+](CC1CCOCC1)CC1CCC(C[NH3+])CC1 ZINC000093426439 184674409 /nfs/dbraw/zinc/67/44/09/184674409.db2.gz FALUBOLRAOQIDZ-UHFFFAOYSA-N 2 1 254.418 2.110 10 0 CEAEMP Cc1c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cnn1C ZINC000093649325 184701830 /nfs/dbraw/zinc/70/18/30/184701830.db2.gz NGGMEVBQVULQQF-UHFFFAOYSA-N 2 1 264.417 2.127 10 0 CEAEMP [NH3+]Cc1c(Cl)cccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094438319 135087854 /nfs/dbraw/zinc/08/78/54/135087854.db2.gz KTRCAOQNBGDNKE-GFCCVEGCSA-N 2 1 279.815 2.473 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000337240260 394887258 /nfs/dbraw/zinc/88/72/58/394887258.db2.gz AUWFJXIHZLRMNM-TWMKSMIVSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000337240260 394887262 /nfs/dbraw/zinc/88/72/62/394887262.db2.gz AUWFJXIHZLRMNM-TWMKSMIVSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000337240260 394887264 /nfs/dbraw/zinc/88/72/64/394887264.db2.gz AUWFJXIHZLRMNM-TWMKSMIVSA-N 2 1 280.456 2.486 10 0 CEAEMP Fc1cc(Br)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398350123 395233710 /nfs/dbraw/zinc/23/37/10/395233710.db2.gz JCCQUAREGZJLPW-VIFPVBQESA-N 2 1 287.176 2.287 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156492 171362991 /nfs/dbraw/zinc/36/29/91/171362991.db2.gz MAKXYQYZOXQWPZ-CYBMUJFWSA-N 2 1 275.396 2.206 10 0 CEAEMP CC(C)COCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221363 173040368 /nfs/dbraw/zinc/04/03/68/173040368.db2.gz IXFAWWLAIWCWDW-LSDHHAIUSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C(C)C)[NH+](C)C)CC1 ZINC000037221296 173040589 /nfs/dbraw/zinc/04/05/89/173040589.db2.gz GBANVVFNLYCVKY-GOEBONIOSA-N 3 1 269.477 2.283 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCOC2)C1 ZINC000038044620 174052529 /nfs/dbraw/zinc/05/25/29/174052529.db2.gz DXKDXXZADJWQDJ-ILXRZTDVSA-N 2 1 254.418 2.123 10 0 CEAEMP COc1ccc(CC[C@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038087085 174098993 /nfs/dbraw/zinc/09/89/93/174098993.db2.gz YDIUDHPTOSBRDV-AWEZNQCLSA-N 2 1 262.397 2.312 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](C2CC2)CC1 ZINC000043364834 175025713 /nfs/dbraw/zinc/02/57/13/175025713.db2.gz SWXYBOVIUHHSJP-HOCLYGCPSA-N 2 1 277.412 2.146 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)C(C)C)OCCO2 ZINC000043883151 175116244 /nfs/dbraw/zinc/11/62/44/175116244.db2.gz RJWWRHPEQDFIRY-HUUCEWRRSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)C(C)C)OCCO2 ZINC000043883151 175116245 /nfs/dbraw/zinc/11/62/45/175116245.db2.gz RJWWRHPEQDFIRY-HUUCEWRRSA-N 2 1 284.444 2.381 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043901838 175122065 /nfs/dbraw/zinc/12/20/65/175122065.db2.gz LESLVFHJMCGILG-HZPDHXFCSA-N 2 1 261.413 2.477 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043901838 175122067 /nfs/dbraw/zinc/12/20/67/175122067.db2.gz LESLVFHJMCGILG-HZPDHXFCSA-N 2 1 261.413 2.477 10 0 CEAEMP CCC[NH2+][C@H](CC)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970789 175131976 /nfs/dbraw/zinc/13/19/76/175131976.db2.gz SBDIJELGMVZWOJ-GDBMZVCRSA-N 3 1 269.477 2.427 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970779 175132049 /nfs/dbraw/zinc/13/20/49/175132049.db2.gz FSPDNYNUPAMVJV-CVEARBPZSA-N 3 1 267.461 2.181 10 0 CEAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)CC(C)(C)C ZINC000045068429 175300173 /nfs/dbraw/zinc/30/01/73/175300173.db2.gz DGTACIGUILYHJY-LBPRGKRZSA-N 2 1 277.412 2.450 10 0 CEAEMP NCC1([N@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000045071044 175301537 /nfs/dbraw/zinc/30/15/37/175301537.db2.gz LOCFWORVGIMGCN-AWEZNQCLSA-N 2 1 252.402 2.149 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000045134753 175312741 /nfs/dbraw/zinc/31/27/41/175312741.db2.gz MQJKMYQEVSYSDE-LBPRGKRZSA-N 2 1 282.350 2.275 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000045167553 175319363 /nfs/dbraw/zinc/31/93/63/175319363.db2.gz UQUWGEQENLOMCY-GFCCVEGCSA-N 2 1 266.433 2.419 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045172126 175321496 /nfs/dbraw/zinc/32/14/96/175321496.db2.gz BXYRLEODUXWIOC-SWLSCSKDSA-N 2 1 278.444 2.418 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045172126 175321497 /nfs/dbraw/zinc/32/14/97/175321497.db2.gz BXYRLEODUXWIOC-SWLSCSKDSA-N 2 1 278.444 2.418 10 0 CEAEMP CCCC[N@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045368369 175363380 /nfs/dbraw/zinc/36/33/80/175363380.db2.gz GCVNYKZUEOLUTI-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045368369 175363381 /nfs/dbraw/zinc/36/33/81/175363381.db2.gz GCVNYKZUEOLUTI-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[NH+](CC)CC)C(=O)OC ZINC000045375930 175366230 /nfs/dbraw/zinc/36/62/30/175366230.db2.gz IUPSXFWUTSZNMQ-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP COC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045377997 175367430 /nfs/dbraw/zinc/36/74/30/175367430.db2.gz KWYSBBWDAULYNX-HNNXBMFYSA-N 2 1 272.433 2.427 10 0 CEAEMP COC(=O)[C@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045377997 175367431 /nfs/dbraw/zinc/36/74/31/175367431.db2.gz KWYSBBWDAULYNX-HNNXBMFYSA-N 2 1 272.433 2.427 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381283 175369767 /nfs/dbraw/zinc/36/97/67/175369767.db2.gz UWWOXFGSKIJYLU-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381283 175369768 /nfs/dbraw/zinc/36/97/68/175369768.db2.gz UWWOXFGSKIJYLU-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383858 175371484 /nfs/dbraw/zinc/37/14/84/175371484.db2.gz JAGLEZWSMIJFAK-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383858 175371486 /nfs/dbraw/zinc/37/14/86/175371486.db2.gz JAGLEZWSMIJFAK-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](CCOC)C1CC1 ZINC000071161894 176046561 /nfs/dbraw/zinc/04/65/61/176046561.db2.gz WCSGAWSWYLCRJB-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](CCOC)C1CC1 ZINC000071161894 176046563 /nfs/dbraw/zinc/04/65/63/176046563.db2.gz WCSGAWSWYLCRJB-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191306 176069534 /nfs/dbraw/zinc/06/95/34/176069534.db2.gz SGKOAYISVMIRBV-BZUAXINKSA-N 2 1 267.461 2.038 10 0 CEAEMP C[NH2+][C@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191377 176069567 /nfs/dbraw/zinc/06/95/67/176069567.db2.gz KGFLDFOJWAAJTR-OAGGEKHMSA-N 2 1 267.461 2.038 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191514 176069856 /nfs/dbraw/zinc/06/98/56/176069856.db2.gz CMHPCKVZWIHLBQ-CQSZACIVSA-N 2 1 269.477 2.284 10 0 CEAEMP CN(CC[C@H]([NH3+])c1cccc(F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191257 176070014 /nfs/dbraw/zinc/07/00/14/176070014.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 2 1 279.403 2.099 10 0 CEAEMP CC(C)[C@@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191970 176071280 /nfs/dbraw/zinc/07/12/80/176071280.db2.gz OLFNMOWRJDAZSZ-HUUCEWRRSA-N 2 1 269.477 2.283 10 0 CEAEMP Cc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191951 176071741 /nfs/dbraw/zinc/07/17/41/176071741.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 2 1 291.439 2.224 10 0 CEAEMP C[N@@H+](CCCC[NH2+]C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000071191979 176072449 /nfs/dbraw/zinc/07/24/49/176072449.db2.gz ZWYDLHLBXSWCJS-CQSZACIVSA-N 3 1 255.450 2.038 10 0 CEAEMP C[NH+](CCCC[NH2+]C(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000071191979 176072450 /nfs/dbraw/zinc/07/24/50/176072450.db2.gz ZWYDLHLBXSWCJS-CQSZACIVSA-N 3 1 255.450 2.038 10 0 CEAEMP C[NH+](CCCC[NH2+]C(C)(C)C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191979 176072451 /nfs/dbraw/zinc/07/24/51/176072451.db2.gz ZWYDLHLBXSWCJS-CQSZACIVSA-N 3 1 255.450 2.038 10 0 CEAEMP CN1CC[C@H](C[N@H+](C)CCCC[NH2+]C(C)(C)C)C1 ZINC000071191979 176072452 /nfs/dbraw/zinc/07/24/52/176072452.db2.gz ZWYDLHLBXSWCJS-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CN1CC[C@H](C[N@@H+](C)CCCC[NH2+]C(C)(C)C)C1 ZINC000071191979 176072453 /nfs/dbraw/zinc/07/24/53/176072453.db2.gz ZWYDLHLBXSWCJS-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+]1CCn2ccnc2C1 ZINC000071289923 176110411 /nfs/dbraw/zinc/11/04/11/176110411.db2.gz NKFCAEMGMHLRNG-UHFFFAOYSA-N 2 1 264.417 2.257 10 0 CEAEMP CN1CCC[C@H]([N@@H+](C)CCCCCC[NH2+]C2CC2)C1 ZINC000071289774 176110655 /nfs/dbraw/zinc/11/06/55/176110655.db2.gz LOTHYSOLXIMJEJ-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[C@]1(C(=O)NCC[N@@H+](C)C2CCCC2)CCC[NH2+]C1 ZINC000071378499 176143209 /nfs/dbraw/zinc/14/32/09/176143209.db2.gz OCMHIBFOGADDCW-KRWDZBQOSA-N 2 1 295.471 2.147 10 0 CEAEMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000398164644 270356509 /nfs/dbraw/zinc/35/65/09/270356509.db2.gz DDGQNBKVIZAYMP-SFHVURJKSA-N 2 1 289.467 2.485 10 0 CEAEMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000398164644 270356511 /nfs/dbraw/zinc/35/65/11/270356511.db2.gz DDGQNBKVIZAYMP-SFHVURJKSA-N 2 1 289.467 2.485 10 0 CEAEMP CC(C)[NH2+]CC[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515496 519722332 /nfs/dbraw/zinc/72/23/32/519722332.db2.gz QJYYIKUUPKCCQC-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[NH2+]CCCCCN1CC[NH+](C2CC2)CC1 ZINC000052371378 519743252 /nfs/dbraw/zinc/74/32/52/519743252.db2.gz WBNQZSBZRWYTCU-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C)CN1CCC(C[NH+](C)C)CC1 ZINC000052515268 519744413 /nfs/dbraw/zinc/74/44/13/519744413.db2.gz IZAIOYSEYPBJPU-OAHLLOKOSA-N 2 1 269.477 2.142 10 0 CEAEMP CC[NH2+]CCCCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000055074416 519919416 /nfs/dbraw/zinc/91/94/16/519919416.db2.gz FUWKIKMMLDEVIQ-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]Cc1sc(N(C)[C@H]2CCC[N@@H+](C)C2)nc1C ZINC000054998286 519974429 /nfs/dbraw/zinc/97/44/29/519974429.db2.gz ONVPLPZNSQWLFJ-ZDUSSCGKSA-N 2 1 296.484 2.482 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)C1CCOCC1 ZINC000052481284 520006249 /nfs/dbraw/zinc/00/62/49/520006249.db2.gz WZYXJRXQTWWBIP-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239523 520131262 /nfs/dbraw/zinc/13/12/62/520131262.db2.gz FWGYONABCSHQQV-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)CC1CC1)C(=O)OCC ZINC000069239523 520131267 /nfs/dbraw/zinc/13/12/67/520131267.db2.gz FWGYONABCSHQQV-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626719 520233199 /nfs/dbraw/zinc/23/31/99/520233199.db2.gz HKAJUGQWKPAIJW-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000068626719 520233208 /nfs/dbraw/zinc/23/32/08/520233208.db2.gz HKAJUGQWKPAIJW-CZUORRHYSA-N 2 1 283.460 2.273 10 0 CEAEMP CCCC[C@@](CC)(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069381017 521120634 /nfs/dbraw/zinc/12/06/34/521120634.db2.gz YWPYRYVDJIJWJM-CVEARBPZSA-N 2 1 267.461 2.454 10 0 CEAEMP CCN1CCC([N@@H+](C)CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953786 521561685 /nfs/dbraw/zinc/56/16/85/521561685.db2.gz VPUWGXRFVKUHIS-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953786 521561692 /nfs/dbraw/zinc/56/16/92/521561692.db2.gz VPUWGXRFVKUHIS-HNNXBMFYSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953786 521561703 /nfs/dbraw/zinc/56/17/03/521561703.db2.gz VPUWGXRFVKUHIS-HNNXBMFYSA-N 3 1 267.461 2.325 10 0 CEAEMP CCN1CCC([N@@H+](C)CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953789 521561724 /nfs/dbraw/zinc/56/17/24/521561724.db2.gz VPUWGXRFVKUHIS-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953789 521561731 /nfs/dbraw/zinc/56/17/31/521561731.db2.gz VPUWGXRFVKUHIS-OAHLLOKOSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953789 521561733 /nfs/dbraw/zinc/56/17/33/521561733.db2.gz VPUWGXRFVKUHIS-OAHLLOKOSA-N 3 1 267.461 2.325 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCCCCC2)O1 ZINC000052482115 522058157 /nfs/dbraw/zinc/05/81/57/522058157.db2.gz SAHHBMMCNGEABS-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542133 522093441 /nfs/dbraw/zinc/09/34/41/522093441.db2.gz VCCVBOJDPGYLQY-CABCVRRESA-N 2 1 280.437 2.480 10 0 CEAEMP C[NH2+]Cc1occc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503328 522163122 /nfs/dbraw/zinc/16/31/22/522163122.db2.gz RMNOPBPDXJNTIT-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP C[NH2+]Cc1occc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503328 522163127 /nfs/dbraw/zinc/16/31/27/522163127.db2.gz RMNOPBPDXJNTIT-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCOCC2(C)C)O1 ZINC000052546197 518762974 /nfs/dbraw/zinc/76/29/74/518762974.db2.gz OSTIWXMIWQZIFC-KGLIPLIRSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055139090 519615477 /nfs/dbraw/zinc/61/54/77/519615477.db2.gz OROXFWMMQBPXOI-GJZGRUSLSA-N 2 1 283.460 2.131 10 0 CEAEMP CC(C)[NH2+]Cc1occc1C[N@H+](C)C1CCN(C)CC1 ZINC000052419841 519730323 /nfs/dbraw/zinc/73/03/23/519730323.db2.gz AJYFKXFUINGPPV-UHFFFAOYSA-N 2 1 279.428 2.304 10 0 CEAEMP CC(C)[NH2+]Cc1occc1C[N@@H+](C)C1CCN(C)CC1 ZINC000052419841 519730325 /nfs/dbraw/zinc/73/03/25/519730325.db2.gz AJYFKXFUINGPPV-UHFFFAOYSA-N 2 1 279.428 2.304 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452837 519744972 /nfs/dbraw/zinc/74/49/72/519744972.db2.gz OKKAPYQLEPZWPI-GJZGRUSLSA-N 2 1 256.434 2.367 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674924 519746176 /nfs/dbraw/zinc/74/61/76/519746176.db2.gz NQBASHORWMBTNM-OAHLLOKOSA-N 2 1 290.407 2.483 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674924 519746178 /nfs/dbraw/zinc/74/61/78/519746178.db2.gz NQBASHORWMBTNM-OAHLLOKOSA-N 2 1 290.407 2.483 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC[NH+](C)C ZINC000054629047 519907269 /nfs/dbraw/zinc/90/72/69/519907269.db2.gz VJQHDQDLJJXZIJ-MQVJKMGUSA-N 3 1 267.461 2.323 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2OC)O1 ZINC000052542306 519951907 /nfs/dbraw/zinc/95/19/07/519951907.db2.gz JLTCPMZODCJXHM-HOTGVXAUSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)C2CCCC2)O1 ZINC000052475584 519977047 /nfs/dbraw/zinc/97/70/47/519977047.db2.gz BQUCDHYAEYPMAF-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)on1 ZINC000052510030 519990182 /nfs/dbraw/zinc/99/01/82/519990182.db2.gz IBQSONXBNDMJCK-NEPJUHHUSA-N 2 1 251.374 2.405 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000052543457 519996327 /nfs/dbraw/zinc/99/63/27/519996327.db2.gz IRPHIOCJEAXYCI-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000052543457 519996337 /nfs/dbraw/zinc/99/63/37/519996337.db2.gz IRPHIOCJEAXYCI-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CCC[NH2+][C@@H](C[NH+]1CCC(COC)CC1)C1CC1 ZINC000070080846 520009730 /nfs/dbraw/zinc/00/97/30/520009730.db2.gz ZLSGLNGSFBVWSS-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](CCO)C1CCCC1 ZINC000053875181 520019678 /nfs/dbraw/zinc/01/96/78/520019678.db2.gz UBPRTKGVQGNGEK-GDBMZVCRSA-N 2 1 268.445 2.392 10 0 CEAEMP CCC[NH2+][C@H](C)[C@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000068689921 520064551 /nfs/dbraw/zinc/06/45/51/520064551.db2.gz SDHXLFSEJUBDND-ZIAGYGMSSA-N 2 1 291.443 2.290 10 0 CEAEMP CCC[NH2+][C@H](C)c1cnc(N2CCC[N@@H+](C)CC2)s1 ZINC000054899139 520067702 /nfs/dbraw/zinc/06/77/02/520067702.db2.gz MJQQCFXUKWRGKU-GFCCVEGCSA-N 2 1 282.457 2.346 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)CC1CC1)OCCO2 ZINC000069237786 520092163 /nfs/dbraw/zinc/09/21/63/520092163.db2.gz YVTJMQCPJIDPEY-JKSUJKDBSA-N 2 1 296.455 2.382 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)CC1CC1)OCCO2 ZINC000069237786 520092172 /nfs/dbraw/zinc/09/21/72/520092172.db2.gz YVTJMQCPJIDPEY-JKSUJKDBSA-N 2 1 296.455 2.382 10 0 CEAEMP CCCOc1cccc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1 ZINC000052920922 520466514 /nfs/dbraw/zinc/46/65/14/520466514.db2.gz IOIMEZSYPANFFO-KRWDZBQOSA-N 2 1 291.439 2.113 10 0 CEAEMP CCCC[N@@H+](CC1(C[NH2+]C)CCOCC1)C1CC1 ZINC000052182592 520484658 /nfs/dbraw/zinc/48/46/58/520484658.db2.gz KUGLBKSFFYFFDB-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CCCC[NH+]1CCC([NH2+]Cc2[nH]cnc2C)CC1 ZINC000054796311 520577995 /nfs/dbraw/zinc/57/79/95/520577995.db2.gz DVFLZQNHKNOIBO-UHFFFAOYSA-N 2 1 250.390 2.072 10 0 CEAEMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054627602 520626983 /nfs/dbraw/zinc/62/69/83/520626983.db2.gz YYUUVFKJJHYPHQ-WZYMTQMTSA-N 3 1 267.461 2.451 10 0 CEAEMP CC[N@@H+](Cc1ccoc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052504834 521424936 /nfs/dbraw/zinc/42/49/36/521424936.db2.gz IQRBZTDHBQQRHQ-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602790 521550305 /nfs/dbraw/zinc/55/03/05/521550305.db2.gz JLLZJFMFWAIRIL-MQVJKMGUSA-N 3 1 265.445 2.063 10 0 CEAEMP CC[NH+]1CCC(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602790 521550306 /nfs/dbraw/zinc/55/03/06/521550306.db2.gz JLLZJFMFWAIRIL-MQVJKMGUSA-N 3 1 265.445 2.063 10 0 CEAEMP COc1c(C)c[nH+]c(CN(C)CC[NH2+]CC(C)C)c1C ZINC000053661378 521807194 /nfs/dbraw/zinc/80/71/94/521807194.db2.gz UEGACIRPVAUTGY-UHFFFAOYSA-N 2 1 279.428 2.384 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)O1 ZINC000052425378 522060258 /nfs/dbraw/zinc/06/02/58/522060258.db2.gz GXITTYJDEJBNGY-LSDHHAIUSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]C[C@H](OCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000052673722 522076148 /nfs/dbraw/zinc/07/61/48/522076148.db2.gz QZDZXFNMBNIVLH-HOTGVXAUSA-N 2 1 262.397 2.448 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c(C)o1 ZINC000052543611 522111376 /nfs/dbraw/zinc/11/13/76/522111376.db2.gz WXMJDYOCBTZEFD-NSHDSACASA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c(C)o1 ZINC000052543611 522111382 /nfs/dbraw/zinc/11/13/82/522111382.db2.gz WXMJDYOCBTZEFD-NSHDSACASA-N 2 1 266.385 2.307 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540156 522128034 /nfs/dbraw/zinc/12/80/34/522128034.db2.gz RLBJCJAPUFZSBM-JKSUJKDBSA-N 2 1 260.381 2.159 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540155 522128919 /nfs/dbraw/zinc/12/89/19/522128919.db2.gz RLBJCJAPUFZSBM-HOTGVXAUSA-N 2 1 260.381 2.159 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)CCc1ccccn1 ZINC000052423990 522133586 /nfs/dbraw/zinc/13/35/86/522133586.db2.gz BRVPQYBGNPWUSG-UHFFFAOYSA-N 2 1 269.392 2.476 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571024 523342701 /nfs/dbraw/zinc/34/27/01/523342701.db2.gz OAECVRKDRFGJCE-HOCLYGCPSA-N 2 1 292.423 2.284 10 0 CEAEMP COCC[N@@H+]([C@@H](C)CCC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572403 523779984 /nfs/dbraw/zinc/77/99/84/523779984.db2.gz GUNQYFUQUKEHQT-GJZGRUSLSA-N 2 1 274.449 2.136 10 0 CEAEMP COc1ccc(C[N@H+](C)Cc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068761338 524006533 /nfs/dbraw/zinc/00/65/33/524006533.db2.gz BOWMOHMXTMXFRF-UHFFFAOYSA-N 2 1 284.363 2.006 10 0 CEAEMP COc1ccc(C[N@@H+](C)Cc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068761338 524006540 /nfs/dbraw/zinc/00/65/40/524006540.db2.gz BOWMOHMXTMXFRF-UHFFFAOYSA-N 2 1 284.363 2.006 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055146366 524101504 /nfs/dbraw/zinc/10/15/04/524101504.db2.gz YBKKMXYEGKOOQH-QQFBHYJXSA-N 2 1 295.471 2.132 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052379031 524110685 /nfs/dbraw/zinc/11/06/85/524110685.db2.gz KHJBWJMCICUSQQ-YUELXQCFSA-N 2 1 252.402 2.160 10 0 CEAEMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000049554414 524165641 /nfs/dbraw/zinc/16/56/41/524165641.db2.gz TVUPUAOMLWEAHL-CYBMUJFWSA-N 2 1 278.396 2.278 10 0 CEAEMP C[C@H]1CC[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052484455 524290976 /nfs/dbraw/zinc/29/09/76/524290976.db2.gz GXVDZDCOSICUIZ-NSHDSACASA-N 2 1 251.374 2.405 10 0 CEAEMP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125547 524392163 /nfs/dbraw/zinc/39/21/63/524392163.db2.gz JOKPHYFNVRZQMH-FXUDXRNXSA-N 2 1 295.471 2.131 10 0 CEAEMP Cc1ccc(C[N@H+](C)Cc2cccnc2C[NH3+])cc1 ZINC000061656491 524394959 /nfs/dbraw/zinc/39/49/59/524394959.db2.gz SZGXGBVVTJJMPM-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)Cc1cnn(C)c1 ZINC000052570397 524457886 /nfs/dbraw/zinc/45/78/86/524457886.db2.gz HLSIYNCLUXMANE-ZDUSSCGKSA-N 2 1 266.433 2.409 10 0 CEAEMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)n1C ZINC000052790279 524757919 /nfs/dbraw/zinc/75/79/19/524757919.db2.gz IUSGPRVJQPMVGX-CQSZACIVSA-N 2 1 261.413 2.216 10 0 CEAEMP c1csc(CC[N@H+]2CC[C@@H](C[NH2+]C3CC3)C2)c1 ZINC000053012782 526577945 /nfs/dbraw/zinc/57/79/45/526577945.db2.gz HWNLTRDORHKLFV-LBPRGKRZSA-N 2 1 250.411 2.365 10 0 CEAEMP Cc1[nH+]cn(C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593734 527461505 /nfs/dbraw/zinc/46/15/05/527461505.db2.gz JANYMAROEHFQSI-GJZGRUSLSA-N 2 1 265.401 2.293 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062079390 527658948 /nfs/dbraw/zinc/65/89/48/527658948.db2.gz CHILEIPNXSIBHJ-CHWSQXEVSA-N 2 1 278.444 2.419 10 0 CEAEMP Cc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000311831379 627702564 /nfs/dbraw/zinc/70/25/64/627702564.db2.gz PDHODLBDSJMHMH-RRFJBIMHSA-N 2 1 260.381 2.043 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818484 185116142 /nfs/dbraw/zinc/11/61/42/185116142.db2.gz PADNYABCJTVRQM-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818484 185116144 /nfs/dbraw/zinc/11/61/44/185116144.db2.gz PADNYABCJTVRQM-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(C[NH3+])CC3)CC[C@@H]21 ZINC000097031416 185154934 /nfs/dbraw/zinc/15/49/34/185154934.db2.gz FHVSQCPIAUFTPS-BACDZXNISA-N 3 1 279.472 2.168 10 0 CEAEMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC(C[NH3+])CC3)CC[C@@H]21 ZINC000097031416 185154935 /nfs/dbraw/zinc/15/49/35/185154935.db2.gz FHVSQCPIAUFTPS-BACDZXNISA-N 3 1 279.472 2.168 10 0 CEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC(C[NH3+])CC3)CC[C@@H]21 ZINC000097031416 185154936 /nfs/dbraw/zinc/15/49/36/185154936.db2.gz FHVSQCPIAUFTPS-BACDZXNISA-N 3 1 279.472 2.168 10 0 CEAEMP C[N@@H+]1CCC[C@@H]2CN(CC3CCC(C[NH3+])CC3)CC[C@@H]21 ZINC000097031416 185154937 /nfs/dbraw/zinc/15/49/37/185154937.db2.gz FHVSQCPIAUFTPS-BACDZXNISA-N 2 1 279.472 2.168 10 0 CEAEMP C[N@H+]1CCC[C@@H]2CN(CC3CCC(C[NH3+])CC3)CC[C@@H]21 ZINC000097031416 185154938 /nfs/dbraw/zinc/15/49/38/185154938.db2.gz FHVSQCPIAUFTPS-BACDZXNISA-N 2 1 279.472 2.168 10 0 CEAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262793 539211688 /nfs/dbraw/zinc/21/16/88/539211688.db2.gz QVGLTCVDVABRDZ-NWDGAFQWSA-N 2 1 258.287 2.500 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000679577855 539330997 /nfs/dbraw/zinc/33/09/97/539330997.db2.gz WGZKVTWBDTZCTL-HZPDHXFCSA-N 2 1 266.429 2.002 10 0 CEAEMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868474 343813539 /nfs/dbraw/zinc/81/35/39/343813539.db2.gz VKBLCBBEAZYBTR-MRXNPFEDSA-N 2 1 276.424 2.211 10 0 CEAEMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868474 343813540 /nfs/dbraw/zinc/81/35/40/343813540.db2.gz VKBLCBBEAZYBTR-MRXNPFEDSA-N 2 1 276.424 2.211 10 0 CEAEMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868474 343813541 /nfs/dbraw/zinc/81/35/41/343813541.db2.gz VKBLCBBEAZYBTR-MRXNPFEDSA-N 2 1 276.424 2.211 10 0 CEAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000328631958 344757532 /nfs/dbraw/zinc/75/75/32/344757532.db2.gz LAMBRAYMYNYIRA-XCRHUMRWSA-N 2 1 297.402 2.036 10 0 CEAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000328631958 344757534 /nfs/dbraw/zinc/75/75/34/344757534.db2.gz LAMBRAYMYNYIRA-XCRHUMRWSA-N 2 1 297.402 2.036 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623924 344756522 /nfs/dbraw/zinc/75/65/22/344756522.db2.gz CDMJPUBARHXIKJ-RDJZCZTQSA-N 2 1 299.418 2.419 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623924 344756524 /nfs/dbraw/zinc/75/65/24/344756524.db2.gz CDMJPUBARHXIKJ-RDJZCZTQSA-N 2 1 299.418 2.419 10 0 CEAEMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](C(=[NH2+])NO)C2)c1 ZINC000584633984 344970535 /nfs/dbraw/zinc/97/05/35/344970535.db2.gz UZUGGTNBMYWFPV-CQSZACIVSA-N 2 1 291.395 2.499 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1([NH3+])CCCCC1 ZINC000084162476 178810972 /nfs/dbraw/zinc/81/09/72/178810972.db2.gz FJZOTOGSTXZKTN-OAHLLOKOSA-N 2 1 295.471 2.419 10 0 CEAEMP CCC[NH+](CCC)[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000084302687 178851116 /nfs/dbraw/zinc/85/11/16/178851116.db2.gz VXOIZNXTKIBGRV-HIFRSBDPSA-N 2 1 271.449 2.129 10 0 CEAEMP CCc1nc2c(n1CCCC[N@@H+](C)C(C)C)CC[NH2+]C2 ZINC000085572996 179097932 /nfs/dbraw/zinc/09/79/32/179097932.db2.gz BSSVKZXSHIYXNI-UHFFFAOYSA-N 2 1 278.444 2.212 10 0 CEAEMP CC[N@H+]1CCC[C@H](n2c3c(nc2C(C)C)C[NH2+]CC3)C1 ZINC000085572805 179098089 /nfs/dbraw/zinc/09/80/89/179098089.db2.gz NYSAEVPXYSWCTR-ZDUSSCGKSA-N 2 1 276.428 2.309 10 0 CEAEMP C[N@H+]1CCCC[C@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572822 179098600 /nfs/dbraw/zinc/09/86/00/179098600.db2.gz YYDFDCNBNCQDBU-ZDUSSCGKSA-N 2 1 290.455 2.311 10 0 CEAEMP C1C[C@@H]([N@@H+]2CCC[NH2+][C@@H](C3CCCCC3)C2)CO1 ZINC000085615181 179103981 /nfs/dbraw/zinc/10/39/81/179103981.db2.gz VCHILZPFKLQKLS-HUUCEWRRSA-N 2 1 252.402 2.020 10 0 CEAEMP C1C[C@@H]([N@H+]2CCC[NH2+][C@@H](C3CCCCC3)C2)CO1 ZINC000085615181 179103984 /nfs/dbraw/zinc/10/39/84/179103984.db2.gz VCHILZPFKLQKLS-HUUCEWRRSA-N 2 1 252.402 2.020 10 0 CEAEMP c1ccc(OCC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000085615961 179104022 /nfs/dbraw/zinc/10/40/22/179104022.db2.gz WZVVUSMUFTUXSK-MRXNPFEDSA-N 2 1 260.381 2.139 10 0 CEAEMP c1ccc(OCC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000085615961 179104024 /nfs/dbraw/zinc/10/40/24/179104024.db2.gz WZVVUSMUFTUXSK-MRXNPFEDSA-N 2 1 260.381 2.139 10 0 CEAEMP CCC[NH2+][C@@H](CCO)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085921829 179200836 /nfs/dbraw/zinc/20/08/36/179200836.db2.gz QLVRECYGURTQMV-XHSDSOJGSA-N 2 1 268.445 2.249 10 0 CEAEMP CCC[NH2+][C@@H](CCO)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085921829 179200839 /nfs/dbraw/zinc/20/08/39/179200839.db2.gz QLVRECYGURTQMV-XHSDSOJGSA-N 2 1 268.445 2.249 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086173761 179244662 /nfs/dbraw/zinc/24/46/62/179244662.db2.gz CPGBFYFSCGXKOI-BBWFWOEESA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223133 179252153 /nfs/dbraw/zinc/25/21/53/179252153.db2.gz XCNUTIAMARTXCB-CVEARBPZSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259204 179258074 /nfs/dbraw/zinc/25/80/74/179258074.db2.gz YMFFJVNNIPVYDS-PVAVHDDUSA-N 2 1 279.472 2.181 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261131 179260399 /nfs/dbraw/zinc/26/03/99/179260399.db2.gz YNELUSNYMRYMKN-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[C@@H]1CN(CCCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086261131 179260403 /nfs/dbraw/zinc/26/04/03/179260403.db2.gz YNELUSNYMRYMKN-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP C1CCC2(CC1)C[N@@H+]([C@@H]1CN3CCC1CC3)CCC[NH2+]2 ZINC000086285926 179263664 /nfs/dbraw/zinc/26/36/64/179263664.db2.gz QEQUFRQAMLPIHQ-MRXNPFEDSA-N 2 1 277.456 2.079 10 0 CEAEMP C1CCC2(CC1)C[N@H+]([C@@H]1CN3CCC1CC3)CCC[NH2+]2 ZINC000086285926 179263666 /nfs/dbraw/zinc/26/36/66/179263666.db2.gz QEQUFRQAMLPIHQ-MRXNPFEDSA-N 2 1 277.456 2.079 10 0 CEAEMP CC(C)C[C@@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288755 179264333 /nfs/dbraw/zinc/26/43/33/179264333.db2.gz NPMOCIFABUKUTC-MRXNPFEDSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288755 179264335 /nfs/dbraw/zinc/26/43/35/179264335.db2.gz NPMOCIFABUKUTC-MRXNPFEDSA-N 2 1 261.413 2.334 10 0 CEAEMP C[C@H]([C@H]1CCCO1)[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086287101 179264443 /nfs/dbraw/zinc/26/44/43/179264443.db2.gz ADRIXZDXDFEJEZ-BPLDGKMQSA-N 2 1 252.402 2.018 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291488 179266465 /nfs/dbraw/zinc/26/64/65/179266465.db2.gz NBWXRBNSOIFAGC-NVXWUHKLSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291488 179266467 /nfs/dbraw/zinc/26/64/67/179266467.db2.gz NBWXRBNSOIFAGC-NVXWUHKLSA-N 2 1 281.488 2.428 10 0 CEAEMP Cc1csc(CC[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086296782 179267398 /nfs/dbraw/zinc/26/73/98/179267398.db2.gz JZXGQIDBIWAFQB-OAHLLOKOSA-N 2 1 279.453 2.458 10 0 CEAEMP Cc1csc(CC[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086296782 179267400 /nfs/dbraw/zinc/26/74/00/179267400.db2.gz JZXGQIDBIWAFQB-OAHLLOKOSA-N 2 1 279.453 2.458 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293390 179268100 /nfs/dbraw/zinc/26/81/00/179268100.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 3 1 269.477 2.427 10 0 CEAEMP CC(C)[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293390 179268101 /nfs/dbraw/zinc/26/81/01/179268101.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 3 1 269.477 2.427 10 0 CEAEMP CC(C)[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293390 179268104 /nfs/dbraw/zinc/26/81/04/179268104.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 3 1 269.477 2.427 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293866 179268400 /nfs/dbraw/zinc/26/84/00/179268400.db2.gz KDSPCHPTXDINSK-RDJZCZTQSA-N 2 1 274.408 2.454 10 0 CEAEMP C(C[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1)OC1CCCC1 ZINC000086298020 179268716 /nfs/dbraw/zinc/26/87/16/179268716.db2.gz SNYULSVKNOAUDA-OAHLLOKOSA-N 2 1 252.402 2.020 10 0 CEAEMP C(C[N@H+]1CCC[NH2+][C@@H](C2CC2)C1)OC1CCCC1 ZINC000086298020 179268718 /nfs/dbraw/zinc/26/87/18/179268718.db2.gz SNYULSVKNOAUDA-OAHLLOKOSA-N 2 1 252.402 2.020 10 0 CEAEMP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086819124 179348025 /nfs/dbraw/zinc/34/80/25/179348025.db2.gz JUVQARXZOUCVGJ-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086819124 179348027 /nfs/dbraw/zinc/34/80/27/179348027.db2.gz JUVQARXZOUCVGJ-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP CCC1(C)CCN([C@]2(C[NH3+])CCC[N@@H+](C)CC2)CC1 ZINC000086819592 179348658 /nfs/dbraw/zinc/34/86/58/179348658.db2.gz QUIIKUVEWMENRP-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086848172 179356007 /nfs/dbraw/zinc/35/60/07/179356007.db2.gz FBVWOHYYLMANJL-KRWDZBQOSA-N 2 1 291.439 2.447 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846930 179356364 /nfs/dbraw/zinc/35/63/64/179356364.db2.gz OBIRRJKEIGMQQY-CABCVRRESA-N 2 1 285.501 2.017 10 0 CEAEMP CCN(Cc1ccncc1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847948 179356635 /nfs/dbraw/zinc/35/66/35/179356635.db2.gz YIJQQVCTHOQPCW-QGZVFWFLSA-N 2 1 290.455 2.107 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837156 179351608 /nfs/dbraw/zinc/35/16/08/179351608.db2.gz AIUBWRADBQHKIV-HNNXBMFYSA-N 2 1 264.417 2.126 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843435 179353636 /nfs/dbraw/zinc/35/36/36/179353636.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843435 179353638 /nfs/dbraw/zinc/35/36/38/179353638.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843435 179353639 /nfs/dbraw/zinc/35/36/39/179353639.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086843435 179353641 /nfs/dbraw/zinc/35/36/41/179353641.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 2 1 265.445 2.076 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086843435 179353644 /nfs/dbraw/zinc/35/36/44/179353644.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCc3ccccc32)CC1 ZINC000086846392 179354799 /nfs/dbraw/zinc/35/47/99/179354799.db2.gz MVOANJMNBZQIFN-QGZVFWFLSA-N 2 1 273.424 2.252 10 0 CEAEMP COc1cc(C[NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)ccn1 ZINC000086844663 179355506 /nfs/dbraw/zinc/35/55/06/179355506.db2.gz XOIDQTVVXQAXNV-HNNXBMFYSA-N 2 1 277.412 2.443 10 0 CEAEMP COc1cc(C[NH2+][C@H]2CCC[N@H+](C(C)C)CC2)ccn1 ZINC000086844663 179355508 /nfs/dbraw/zinc/35/55/08/179355508.db2.gz XOIDQTVVXQAXNV-HNNXBMFYSA-N 2 1 277.412 2.443 10 0 CEAEMP CCCN(C1CC1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846788 179355717 /nfs/dbraw/zinc/35/57/17/179355717.db2.gz RENNYFFAWCUZMW-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000086851108 179359724 /nfs/dbraw/zinc/35/97/24/179359724.db2.gz BJDXLTFRETZGOE-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)C(C)(C)CC)CC1 ZINC000086848848 179358232 /nfs/dbraw/zinc/35/82/32/179358232.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)C(C)(C)CC)CC1 ZINC000086848848 179358234 /nfs/dbraw/zinc/35/82/34/179358234.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)C(C)(C)CC)CC1 ZINC000086848848 179358235 /nfs/dbraw/zinc/35/82/35/179358235.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)C(C)(C)CC)CC1 ZINC000086848848 179358237 /nfs/dbraw/zinc/35/82/37/179358237.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)C(C)(C)CC)CC1 ZINC000086848848 179358238 /nfs/dbraw/zinc/35/82/38/179358238.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](CCC)CC1 ZINC000086851064 179359200 /nfs/dbraw/zinc/35/92/00/179359200.db2.gz JOYSNSRZBTUUMH-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP Nc1cc(C[C@H]([NH3+])CSc2ccccc2)cc[nH+]1 ZINC000087162088 179398503 /nfs/dbraw/zinc/39/85/03/179398503.db2.gz UUXFGYXZNLFRTP-LBPRGKRZSA-N 2 1 259.378 2.326 10 0 CEAEMP C[NH2+][C@@H](CSCC(C)C)Cc1c[nH+]ccc1N ZINC000087123181 179395856 /nfs/dbraw/zinc/39/58/56/179395856.db2.gz GBLASTYRYRUVBF-GFCCVEGCSA-N 2 1 253.415 2.184 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000090566588 180006782 /nfs/dbraw/zinc/00/67/82/180006782.db2.gz QBYJARQMPGGWDZ-BFHYXJOUSA-N 2 1 256.434 2.367 10 0 CEAEMP CC(C)[N@@H+](CCC(N)=[NH2+])C[C@@H]1Cc2ccccc2O1 ZINC000090875219 180050758 /nfs/dbraw/zinc/05/07/58/180050758.db2.gz PJDABQZNBJMXGJ-ZDUSSCGKSA-N 2 1 261.369 2.027 10 0 CEAEMP CCC[N@@H+](C[C@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876225 180050855 /nfs/dbraw/zinc/05/08/55/180050855.db2.gz FKWUNNJFUUBHAY-MRXNPFEDSA-N 2 1 274.408 2.454 10 0 CEAEMP [NH3+][C@H](CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090908651 180061577 /nfs/dbraw/zinc/06/15/77/180061577.db2.gz WLMLINYWSQIJGT-OWCLPIDISA-N 2 1 260.381 2.330 10 0 CEAEMP Cc1nn(CCn2cc[nH+]c2C)c(C)c1C[NH2+]CC(C)C ZINC000091002257 180084174 /nfs/dbraw/zinc/08/41/74/180084174.db2.gz BHGGEJQVRVELBG-UHFFFAOYSA-N 2 1 289.427 2.451 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2ccc(C[C@@H](C)[NH3+])c2)c1C ZINC000091005845 180084773 /nfs/dbraw/zinc/08/47/73/180084773.db2.gz BWCGRFUVAUMSHA-GFCCVEGCSA-N 2 1 273.380 2.447 10 0 CEAEMP C[C@H]1CCC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019721 180087629 /nfs/dbraw/zinc/08/76/29/180087629.db2.gz SFOJJYRPMYJOGE-AAEUAGOBSA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@H]1CCC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019721 180087632 /nfs/dbraw/zinc/08/76/32/180087632.db2.gz SFOJJYRPMYJOGE-AAEUAGOBSA-N 2 1 258.369 2.265 10 0 CEAEMP CCn1c[nH+]cc1Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019835 180087783 /nfs/dbraw/zinc/08/77/83/180087783.db2.gz DZSGKHMXLYKJAV-UHFFFAOYSA-N 2 1 269.352 2.020 10 0 CEAEMP CC(C)[NH+](CCNC(=O)c1csc([C@@H](C)[NH3+])n1)C(C)C ZINC000090945405 180069552 /nfs/dbraw/zinc/06/95/52/180069552.db2.gz NJEQCMSTVTYPRB-LLVKDONJSA-N 2 1 298.456 2.011 10 0 CEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Cl)s1 ZINC000091313837 180132468 /nfs/dbraw/zinc/13/24/68/180132468.db2.gz HPAIYXRWZWKSPZ-SNVBAGLBSA-N 2 1 274.817 2.212 10 0 CEAEMP CN(C)[C@H]1CCC[N@@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000091449221 180157650 /nfs/dbraw/zinc/15/76/50/180157650.db2.gz PBVCVPKJGBOXTI-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH+](C)[C@H]1CCCN(CCCC[NH2+]C(C)(C)C)C1 ZINC000091449221 180157652 /nfs/dbraw/zinc/15/76/52/180157652.db2.gz PBVCVPKJGBOXTI-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH2+][C@@H](CC[N@H+](C)CC1CC(O)C1)c1ccc(F)cc1 ZINC000091490955 180170011 /nfs/dbraw/zinc/17/00/11/180170011.db2.gz YAJFNHWGHVMPJL-MOQPWLNLSA-N 2 1 280.387 2.179 10 0 CEAEMP C[NH2+][C@@H](CC[N@@H+](C)CC1CC(O)C1)c1ccc(F)cc1 ZINC000091490955 180170013 /nfs/dbraw/zinc/17/00/13/180170013.db2.gz YAJFNHWGHVMPJL-MOQPWLNLSA-N 2 1 280.387 2.179 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091395244 180146067 /nfs/dbraw/zinc/14/60/67/180146067.db2.gz MKIPOCOWCDBBIX-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+][C@@H](C)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091395244 180146070 /nfs/dbraw/zinc/14/60/70/180146070.db2.gz MKIPOCOWCDBBIX-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@](C)([C@@H](Cc1csc(C)n1)[NH2+]C)[NH+](C)C ZINC000091570613 180195408 /nfs/dbraw/zinc/19/54/08/180195408.db2.gz HHXMJNURGVSMAK-CHWSQXEVSA-N 2 1 255.431 2.312 10 0 CEAEMP CC[C@@](C)([C@H](Cc1csc(C)n1)[NH2+]C)[NH+](C)C ZINC000091570614 180195823 /nfs/dbraw/zinc/19/58/23/180195823.db2.gz HHXMJNURGVSMAK-STQMWFEESA-N 2 1 255.431 2.312 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@H](N)Cc1cc[nH+]c(N)c1 ZINC000091573552 180196663 /nfs/dbraw/zinc/19/66/63/180196663.db2.gz BYWUQAUKIVVUNS-HIFRSBDPSA-N 2 1 264.417 2.044 10 0 CEAEMP CCc1cc(C[C@@H]([NH2+]C)[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091606598 180203786 /nfs/dbraw/zinc/20/37/86/180203786.db2.gz LILBJAHPFZFZCF-SJORKVTESA-N 2 1 292.471 2.378 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)N(CC)CC ZINC000091531289 180180881 /nfs/dbraw/zinc/18/08/81/180180881.db2.gz BVSSIJPUGJDEST-AWEZNQCLSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[NH+](CC)C1([C@H](O)Cc2cc[nH+]c(N)c2)CCCC1 ZINC000091638818 180212699 /nfs/dbraw/zinc/21/26/99/180212699.db2.gz AXEMPWQSAYEOFN-CQSZACIVSA-N 2 1 277.412 2.222 10 0 CEAEMP Cc1cc(C[C@H]([NH3+])C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640678 180213539 /nfs/dbraw/zinc/21/35/39/180213539.db2.gz JKUMLWQGPCTWLD-HNNXBMFYSA-N 2 1 276.428 2.007 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721143 180237572 /nfs/dbraw/zinc/23/75/72/180237572.db2.gz DDTCZCSDLFUXQO-BZUAXINKSA-N 2 1 294.826 2.334 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721143 180237575 /nfs/dbraw/zinc/23/75/75/180237575.db2.gz DDTCZCSDLFUXQO-BZUAXINKSA-N 2 1 294.826 2.334 10 0 CEAEMP CC[N@@H+](Cc1ncc(Cl)n1C)C1CCC([NH3+])CC1 ZINC000091850846 180272370 /nfs/dbraw/zinc/27/23/70/180272370.db2.gz OFELSGUDIJBZIF-UHFFFAOYSA-N 2 1 270.808 2.165 10 0 CEAEMP CCC[N@@H+]([C@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091851805 180272963 /nfs/dbraw/zinc/27/29/63/180272963.db2.gz OLNKWGDWJJBVCO-LRVUVFPRSA-N 2 1 264.417 2.463 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844606 180268846 /nfs/dbraw/zinc/26/88/46/180268846.db2.gz FWCOIGQPNOONHE-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844606 180268849 /nfs/dbraw/zinc/26/88/49/180268849.db2.gz FWCOIGQPNOONHE-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844606 180268851 /nfs/dbraw/zinc/26/88/51/180268851.db2.gz FWCOIGQPNOONHE-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CCN1CCC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844606 180268854 /nfs/dbraw/zinc/26/88/54/180268854.db2.gz FWCOIGQPNOONHE-SHARSMKWSA-N 2 1 253.434 2.063 10 0 CEAEMP CCN1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844606 180268855 /nfs/dbraw/zinc/26/88/55/180268855.db2.gz FWCOIGQPNOONHE-SHARSMKWSA-N 2 1 253.434 2.063 10 0 CEAEMP CCn1cc([C@@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000091844190 180268943 /nfs/dbraw/zinc/26/89/43/180268943.db2.gz PMDSOSGLQFBKMT-LMWSTFAQSA-N 2 1 250.390 2.166 10 0 CEAEMP NC(=O)c1c[nH+]c2ccccc2c1NC1CCC([NH3+])CC1 ZINC000091843575 180269013 /nfs/dbraw/zinc/26/90/13/180269013.db2.gz UMJFRTLSXQOZPG-UHFFFAOYSA-N 2 1 284.363 2.016 10 0 CEAEMP CC[N@@H+]([C@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091849640 180271316 /nfs/dbraw/zinc/27/13/16/180271316.db2.gz FCMVYJNYYDRGQR-NRXISQOPSA-N 2 1 253.434 2.061 10 0 CEAEMP CC[N@H+]1CCC[C@@](O)(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000091922558 180286655 /nfs/dbraw/zinc/28/66/55/180286655.db2.gz HKNJEWAUBWCUGR-GPANFISMSA-N 2 1 268.445 2.379 10 0 CEAEMP C[N@H+]1CCC[C@@](O)(C2(C[NH3+])CCCCCC2)CC1 ZINC000091922427 180286732 /nfs/dbraw/zinc/28/67/32/180286732.db2.gz WLTIKUVWBJUVFN-HNNXBMFYSA-N 2 1 254.418 2.133 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000092053561 180313248 /nfs/dbraw/zinc/31/32/48/180313248.db2.gz LJOBYNMGTFZPHA-HWOWSKLDSA-N 2 1 284.444 2.021 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000092053561 180313250 /nfs/dbraw/zinc/31/32/50/180313250.db2.gz LJOBYNMGTFZPHA-HWOWSKLDSA-N 2 1 284.444 2.021 10 0 CEAEMP CCCC(C[NH3+])(CCC)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092001338 180303821 /nfs/dbraw/zinc/30/38/21/180303821.db2.gz ZQRJIMAOYOKCHS-CABCVRRESA-N 2 1 267.461 2.453 10 0 CEAEMP CCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1C[NH2+]C ZINC000092004861 180305892 /nfs/dbraw/zinc/30/58/92/180305892.db2.gz LKNMQIPGATUUIU-NEPJUHHUSA-N 2 1 294.468 2.098 10 0 CEAEMP C[C@H]1C[NH+](CCc2[nH]c3ccc(N)cc3[nH+]2)C[C@@H]1C ZINC000092080484 180318637 /nfs/dbraw/zinc/31/86/37/180318637.db2.gz NHDNCVWVBFRGDJ-QWRGUYRKSA-N 2 1 258.369 2.275 10 0 CEAEMP CC(C)[NH2+][C@](C)(CO)CCCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090224 180322023 /nfs/dbraw/zinc/32/20/23/180322023.db2.gz RHATYUGWQNRVLQ-XHSDSOJGSA-N 2 1 270.461 2.494 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090289 180322137 /nfs/dbraw/zinc/32/21/37/180322137.db2.gz OPIPXMFLIIAMDO-QLFBSQMISA-N 2 1 256.434 2.105 10 0 CEAEMP CC[NH2+][C@](C)(CO)CCCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090212 180322462 /nfs/dbraw/zinc/32/24/62/180322462.db2.gz WPYMMVICTLBZCI-ZNMIVQPWSA-N 2 1 256.434 2.105 10 0 CEAEMP C[C@H]1C[N@H+](CCSc2ccccc2)CCC[NH2+]1 ZINC000092273075 180356742 /nfs/dbraw/zinc/35/67/42/180356742.db2.gz ZSOWWENJNSCENT-ZDUSSCGKSA-N 2 1 250.411 2.463 10 0 CEAEMP C[C@H]1C[N@@H+](CCSc2ccccc2)CCC[NH2+]1 ZINC000092273075 180356744 /nfs/dbraw/zinc/35/67/44/180356744.db2.gz ZSOWWENJNSCENT-ZDUSSCGKSA-N 2 1 250.411 2.463 10 0 CEAEMP CCNc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000092370685 180369919 /nfs/dbraw/zinc/36/99/19/180369919.db2.gz JNSRMUAMTMLBGX-UHFFFAOYSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1cc[nH+]c(C[N@@H+]2CC[C@H](COC)C2)c1 ZINC000092419353 180382662 /nfs/dbraw/zinc/38/26/62/180382662.db2.gz RSRUQFDNTUEPTA-ZDUSSCGKSA-N 2 1 263.385 2.372 10 0 CEAEMP CCCNc1cc[nH+]c(C[N@H+]2CC[C@H](COC)C2)c1 ZINC000092419353 180382664 /nfs/dbraw/zinc/38/26/64/180382664.db2.gz RSRUQFDNTUEPTA-ZDUSSCGKSA-N 2 1 263.385 2.372 10 0 CEAEMP Cc1cccc(C[N@@H+](C)Cc2cccc(C[NH3+])c2)n1 ZINC000092427799 180383455 /nfs/dbraw/zinc/38/34/55/180383455.db2.gz XICXZUWNTSJKTM-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP Cc1cccc(C[N@H+]2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000092433827 180384506 /nfs/dbraw/zinc/38/45/06/180384506.db2.gz KHYHDJCVNNHMPS-XJKSGUPXSA-N 2 1 259.397 2.352 10 0 CEAEMP Cc1cccc(C[N@@H+]2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000092433827 180384508 /nfs/dbraw/zinc/38/45/08/180384508.db2.gz KHYHDJCVNNHMPS-XJKSGUPXSA-N 2 1 259.397 2.352 10 0 CEAEMP CSc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000110708451 186314112 /nfs/dbraw/zinc/31/41/12/186314112.db2.gz RAMMJOOYNXXTDA-WFASDCNBSA-N 2 1 279.453 2.044 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccc(C)s2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703869 186314182 /nfs/dbraw/zinc/31/41/82/186314182.db2.gz OTXYOQWRARHPHQ-UMVBOHGHSA-N 2 1 281.469 2.471 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2C)C[C@@H]1C ZINC000110708692 186316749 /nfs/dbraw/zinc/31/67/49/186316749.db2.gz NPZNQACJOKCPFD-BBRMVZONSA-N 2 1 279.403 2.160 10 0 CEAEMP Cc1nc(N2CC[N@@H+](C)C(C)(C)C2)sc1[C@@H](C)[NH3+] ZINC000110758819 186321332 /nfs/dbraw/zinc/32/13/32/186321332.db2.gz CXMMGXZROGRFHK-SECBINFHSA-N 2 1 268.430 2.002 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110747051 186321920 /nfs/dbraw/zinc/32/19/20/186321920.db2.gz KNESKASYTCIJDM-INIZCTEOSA-N 2 1 275.440 2.411 10 0 CEAEMP CC[NH2+]Cc1cc(CN2CC[N@@H+](C)[C@@H](CC)C2)oc1C ZINC000110754034 186322020 /nfs/dbraw/zinc/32/20/20/186322020.db2.gz FNJCJZRZXNJCNH-HNNXBMFYSA-N 2 1 279.428 2.224 10 0 CEAEMP C[N@@H+](CCC[C@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000111179422 186366229 /nfs/dbraw/zinc/36/62/29/186366229.db2.gz NSVWLFGPOOISOI-CQSZACIVSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327415 186398126 /nfs/dbraw/zinc/39/81/26/186398126.db2.gz XEGCGUXQXLOQBC-KRWDZBQOSA-N 2 1 298.471 2.020 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327412 186398307 /nfs/dbraw/zinc/39/83/07/186398307.db2.gz XKKQKWUNUDFWIC-QGZVFWFLSA-N 2 1 298.471 2.018 10 0 CEAEMP CC[N@@H+](CCOC)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111327576 186399215 /nfs/dbraw/zinc/39/92/15/186399215.db2.gz KUCCQKIACFYUNW-MRXNPFEDSA-N 2 1 286.460 2.140 10 0 CEAEMP Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630530163 351774073 /nfs/dbraw/zinc/77/40/73/351774073.db2.gz ZCRBMVPBBXIHKJ-QWRGUYRKSA-N 2 1 288.317 2.057 10 0 CEAEMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000070576805 363098094 /nfs/dbraw/zinc/09/80/94/363098094.db2.gz SJWLTQUGRVXCIV-CABCVRRESA-N 2 1 295.471 2.275 10 0 CEAEMP C[C@H]1CN(c2cc[nH+]cc2Br)C[C@@H]1[NH+](C)C ZINC000135105453 366395202 /nfs/dbraw/zinc/39/52/02/366395202.db2.gz MSJAPXLUFQITFZ-CABZTGNLSA-N 2 1 284.201 2.230 10 0 CEAEMP Cn1c2ccccc2nc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000177354870 189045628 /nfs/dbraw/zinc/04/56/28/189045628.db2.gz NQVADSHXRULJIG-UHFFFAOYSA-N 2 1 286.423 2.190 10 0 CEAEMP Cc1cccc2c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc[nH+]c12 ZINC000301715305 201156077 /nfs/dbraw/zinc/15/60/77/201156077.db2.gz MPEQNAIMFDYMNF-CVEARBPZSA-N 2 1 283.375 2.062 10 0 CEAEMP [NH3+]CCCOC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000094272700 364263875 /nfs/dbraw/zinc/26/38/75/364263875.db2.gz KLAVJAVKTKHOFH-UHFFFAOYSA-N 2 1 269.776 2.069 10 0 CEAEMP CC[N@H+]1CCC[C@H](Nc2cc(N3CCCCC3)ncn2)C1 ZINC000112075888 364772331 /nfs/dbraw/zinc/77/23/31/364772331.db2.gz WAXKPEZZMGNLPC-AWEZNQCLSA-N 2 1 289.427 2.363 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631838584 367578917 /nfs/dbraw/zinc/57/89/17/367578917.db2.gz QTGAPVJSWHOFAL-JQWIXIFHSA-N 2 1 268.788 2.375 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631838584 367578924 /nfs/dbraw/zinc/57/89/24/367578924.db2.gz QTGAPVJSWHOFAL-JQWIXIFHSA-N 2 1 268.788 2.375 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999239 369033639 /nfs/dbraw/zinc/03/36/39/369033639.db2.gz RKNNJKRDAPQGGT-MFKMUULPSA-N 2 1 280.799 2.302 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999239 369033642 /nfs/dbraw/zinc/03/36/42/369033642.db2.gz RKNNJKRDAPQGGT-MFKMUULPSA-N 2 1 280.799 2.302 10 0 CEAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000358259124 370977672 /nfs/dbraw/zinc/97/76/72/370977672.db2.gz UIZDSTFWNIHYRX-YCPHGPKFSA-N 2 1 268.445 2.248 10 0 CEAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000358259124 370977677 /nfs/dbraw/zinc/97/76/77/370977677.db2.gz UIZDSTFWNIHYRX-YCPHGPKFSA-N 2 1 268.445 2.248 10 0 CEAEMP COCc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231454979 370479710 /nfs/dbraw/zinc/47/97/10/370479710.db2.gz JVKMMFLWORLPDC-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP COc1ccc(OC)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231464180 370480423 /nfs/dbraw/zinc/48/04/23/370480423.db2.gz VOYDMZOLTZNOIF-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1ccc(OC)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231464180 370480425 /nfs/dbraw/zinc/48/04/25/370480425.db2.gz VOYDMZOLTZNOIF-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP CC[C@@](C)(O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249079780 371292032 /nfs/dbraw/zinc/29/20/32/371292032.db2.gz CJUJRIUELWLBNX-GOEBONIOSA-N 2 1 277.412 2.285 10 0 CEAEMP CC[C@@](C)(O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249079780 371292034 /nfs/dbraw/zinc/29/20/34/371292034.db2.gz CJUJRIUELWLBNX-GOEBONIOSA-N 2 1 277.412 2.285 10 0 CEAEMP Cc1cccc([C@H]2CCCN2Cc2noc(C[NH3+])n2)c1 ZINC000261605776 371675461 /nfs/dbraw/zinc/67/54/61/371675461.db2.gz BDBYDALMICGVIM-CYBMUJFWSA-N 2 1 272.352 2.174 10 0 CEAEMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261611836 371677608 /nfs/dbraw/zinc/67/76/08/371677608.db2.gz DZFJEIFTQUXWJJ-KKUMJFAQSA-N 2 1 290.407 2.133 10 0 CEAEMP COCC1(CNc2cc[nH+]cc2Cl)CC[NH2+]CC1 ZINC000261560645 371647617 /nfs/dbraw/zinc/64/76/17/371647617.db2.gz FHXLKJKHGWFARW-UHFFFAOYSA-N 2 1 269.776 2.163 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705477 371707300 /nfs/dbraw/zinc/70/73/00/371707300.db2.gz CXCABVWRVHHJQO-WBVHZDCISA-N 3 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)[nH+]1 ZINC000261705477 371707311 /nfs/dbraw/zinc/70/73/11/371707311.db2.gz CXCABVWRVHHJQO-WBVHZDCISA-N 3 1 288.439 2.123 10 0 CEAEMP Cc1cccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261637076 371686524 /nfs/dbraw/zinc/68/65/24/371686524.db2.gz WPGWRDRIHJCUAG-BPUTZDHNSA-N 2 1 260.381 2.043 10 0 CEAEMP CC(C)[C@@H](c1ccccc1)N(C)Cc1noc(C[NH3+])n1 ZINC000261661235 371695776 /nfs/dbraw/zinc/69/57/76/371695776.db2.gz GYVPNJZEZQKNOD-HNNXBMFYSA-N 2 1 274.368 2.357 10 0 CEAEMP Fc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(F)c1 ZINC000261882714 371761510 /nfs/dbraw/zinc/76/15/10/371761510.db2.gz FNRFMISZRVNKRK-NUEKZKHPSA-N 2 1 296.361 2.212 10 0 CEAEMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1F ZINC000261992591 371792519 /nfs/dbraw/zinc/79/25/19/371792519.db2.gz SXXGTOFARKUFDO-USXIJHARSA-N 2 1 292.398 2.381 10 0 CEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261914402 371769204 /nfs/dbraw/zinc/76/92/04/371769204.db2.gz JMOKPTUGAWVVNG-BRWVUGGUSA-N 2 1 292.398 2.115 10 0 CEAEMP Cc1nn(C(C)C)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261970113 371786630 /nfs/dbraw/zinc/78/66/30/371786630.db2.gz QFCLMYYCBDEMHM-OAHLLOKOSA-N 2 1 264.417 2.346 10 0 CEAEMP Cc1nn(C(C)C)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261970113 371786636 /nfs/dbraw/zinc/78/66/36/371786636.db2.gz QFCLMYYCBDEMHM-OAHLLOKOSA-N 2 1 264.417 2.346 10 0 CEAEMP O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262025071 371803277 /nfs/dbraw/zinc/80/32/77/371803277.db2.gz WOCWNZYLNNRQDS-BBRMVZONSA-N 2 1 296.361 2.072 10 0 CEAEMP C[C@@H]1[C@H](N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000307209527 376560919 /nfs/dbraw/zinc/56/09/19/376560919.db2.gz KGLKETYHLXVLFU-XYVMCAHJSA-N 2 1 287.451 2.319 10 0 CEAEMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637463 284726037 /nfs/dbraw/zinc/72/60/37/284726037.db2.gz MFZLQDIUEZUWDR-FQUUOJAGSA-N 2 1 254.418 2.120 10 0 CEAEMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1ccncc1Cl ZINC000301696508 379297408 /nfs/dbraw/zinc/29/74/08/379297408.db2.gz BHJRCOABSICYDO-OLZOCXBDSA-N 2 1 295.814 2.161 10 0 CEAEMP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]cc1Cl ZINC000301696508 379297414 /nfs/dbraw/zinc/29/74/14/379297414.db2.gz BHJRCOABSICYDO-OLZOCXBDSA-N 2 1 295.814 2.161 10 0 CEAEMP COc1ncccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093515619 184686850 /nfs/dbraw/zinc/68/68/50/184686850.db2.gz ALMOJKNDHGWJIO-DZGCQCFKSA-N 2 1 277.412 2.491 10 0 CEAEMP CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CC[N@@H+](C)CC1CCC1 ZINC000093593221 184694044 /nfs/dbraw/zinc/69/40/44/184694044.db2.gz KYKCGPPACASMQV-NVXWUHKLSA-N 2 1 295.471 2.132 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000094458525 184804478 /nfs/dbraw/zinc/80/44/78/184804478.db2.gz CYEQBNSAKPTXCH-YVSFHVDLSA-N 2 1 279.472 2.453 10 0 CEAEMP CSC1(C[NH3+])CCN(c2cc(C)cc[nH+]2)CC1 ZINC000091472564 135070295 /nfs/dbraw/zinc/07/02/95/135070295.db2.gz QKFHXLZCGWNDSE-UHFFFAOYSA-N 2 1 251.399 2.051 10 0 CEAEMP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093068439 135078903 /nfs/dbraw/zinc/07/89/03/135078903.db2.gz PRYFMRXYUCMSHF-CVEARBPZSA-N 2 1 275.440 2.361 10 0 CEAEMP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000093068620 135079094 /nfs/dbraw/zinc/07/90/94/135079094.db2.gz JNAOWJRRXDHMAB-LSDHHAIUSA-N 2 1 291.439 2.061 10 0 CEAEMP CO[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189697 395162285 /nfs/dbraw/zinc/16/22/85/395162285.db2.gz IHIAWLZKSJYLFI-HZPDHXFCSA-N 2 1 262.397 2.448 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C12CCOCC2 ZINC000186358247 286398512 /nfs/dbraw/zinc/39/85/12/286398512.db2.gz DLOMBGUIDGTBJX-LVQVYYBASA-N 2 1 296.455 2.033 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C12CCOCC2 ZINC000186358247 286398513 /nfs/dbraw/zinc/39/85/13/286398513.db2.gz DLOMBGUIDGTBJX-LVQVYYBASA-N 2 1 296.455 2.033 10 0 CEAEMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000124259988 287101176 /nfs/dbraw/zinc/10/11/76/287101176.db2.gz OVRYNKHTZIVBCE-CVEARBPZSA-N 2 1 268.445 2.488 10 0 CEAEMP CC[NH2+]CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000013735097 170584477 /nfs/dbraw/zinc/58/44/77/170584477.db2.gz NGFRIKOWZIZBJJ-UHFFFAOYSA-N 2 1 286.803 2.446 10 0 CEAEMP C[NH+](C)[C@@](C)(C[NH3+])CCOc1ccc(F)cc1F ZINC000019667854 170834569 /nfs/dbraw/zinc/83/45/69/170834569.db2.gz FELFGIXTYVNJLZ-CYBMUJFWSA-N 2 1 258.312 2.013 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022152970 171360006 /nfs/dbraw/zinc/36/00/06/171360006.db2.gz UWFADYAADYEEQP-CYBMUJFWSA-N 2 1 275.396 2.348 10 0 CEAEMP CC[C@H](C)C[N@@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037172395 173005401 /nfs/dbraw/zinc/00/54/01/173005401.db2.gz WTXSLOWJTNGILO-WFASDCNBSA-N 2 1 250.386 2.157 10 0 CEAEMP CC[N@@H+](CCOc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000037538497 173258389 /nfs/dbraw/zinc/25/83/89/173258389.db2.gz RQLXXYRHHCXCRY-UHFFFAOYSA-N 2 1 262.397 2.448 10 0 CEAEMP CC[N@@H+]1CCC[C@H](NC2CC[NH+](CC=C(C)C)CC2)C1 ZINC000040502889 174299319 /nfs/dbraw/zinc/29/93/19/174299319.db2.gz PYUFUIIQEBZJSB-KRWDZBQOSA-N 2 1 279.472 2.491 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC2CC[NH+](CC=C(C)C)CC2)C1 ZINC000040502889 174299320 /nfs/dbraw/zinc/29/93/20/174299320.db2.gz PYUFUIIQEBZJSB-KRWDZBQOSA-N 2 1 279.472 2.491 10 0 CEAEMP CCC[N@H+](CC(=O)NC(C)(C)CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748506 174393903 /nfs/dbraw/zinc/39/39/03/174393903.db2.gz FVIUYIWEASSQRA-YIONKMFJSA-N 2 1 295.471 2.286 10 0 CEAEMP CCC[N@@H+](CC(=O)NC(C)(C)CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748506 174393905 /nfs/dbraw/zinc/39/39/05/174393905.db2.gz FVIUYIWEASSQRA-YIONKMFJSA-N 2 1 295.471 2.286 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(-c2ccccc2)c1 ZINC000040749298 174393913 /nfs/dbraw/zinc/39/39/13/174393913.db2.gz SZCJASVHBUGOFI-ZXFUBFMLSA-N 2 1 282.391 2.326 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(-c2ccccc2)c1 ZINC000040749298 174393914 /nfs/dbraw/zinc/39/39/14/174393914.db2.gz SZCJASVHBUGOFI-ZXFUBFMLSA-N 2 1 282.391 2.326 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccccc1 ZINC000040750001 174395135 /nfs/dbraw/zinc/39/51/35/174395135.db2.gz MXAWOMCDZWLFHX-GOOCMWNKSA-N 2 1 260.381 2.410 10 0 CEAEMP CCc1cccc(OCCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041355090 174533088 /nfs/dbraw/zinc/53/30/88/174533088.db2.gz LYNBNDLAGGEMBW-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCc1cccc(OCCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000041355090 174533090 /nfs/dbraw/zinc/53/30/90/174533090.db2.gz LYNBNDLAGGEMBW-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000043818500 175112994 /nfs/dbraw/zinc/11/29/94/175112994.db2.gz AGKWGAYSWDSZDS-KRWDZBQOSA-N 2 1 275.440 2.365 10 0 CEAEMP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818568 175113868 /nfs/dbraw/zinc/11/38/68/175113868.db2.gz APBRFWDMSNIVBF-QZTJIDSGSA-N 2 1 287.451 2.290 10 0 CEAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818528 175113920 /nfs/dbraw/zinc/11/39/20/175113920.db2.gz DLAXFWGAKYGDHE-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)CC(C)C)OCCO2 ZINC000043887113 175117435 /nfs/dbraw/zinc/11/74/35/175117435.db2.gz PSUREDJIZWGWBO-LSDHHAIUSA-N 2 1 284.444 2.238 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)CC(C)C)OCCO2 ZINC000043887113 175117436 /nfs/dbraw/zinc/11/74/36/175117436.db2.gz PSUREDJIZWGWBO-LSDHHAIUSA-N 2 1 284.444 2.238 10 0 CEAEMP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2[NH2+]C)C1 ZINC000043971180 175132242 /nfs/dbraw/zinc/13/22/42/175132242.db2.gz XZBGQAXXABQKSA-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCCO[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2[NH2+]C)C1 ZINC000043971180 175132244 /nfs/dbraw/zinc/13/22/44/175132244.db2.gz XZBGQAXXABQKSA-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)c1C ZINC000045171423 175320822 /nfs/dbraw/zinc/32/08/22/175320822.db2.gz HDNZNXUBUOVSEB-SMDDNHRTSA-N 2 1 264.417 2.122 10 0 CEAEMP CCCCC[N@H+](CC[C@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045278639 175349285 /nfs/dbraw/zinc/34/92/85/175349285.db2.gz NXYWAPIWSLYZAT-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCCC[N@@H+](CC[C@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045278639 175349286 /nfs/dbraw/zinc/34/92/86/175349286.db2.gz NXYWAPIWSLYZAT-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1CCC[C@@H]1CC ZINC000045367368 175363276 /nfs/dbraw/zinc/36/32/76/175363276.db2.gz UTDFGHPGVBVQGU-ZFWWWQNUSA-N 2 1 270.417 2.312 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+]1CCC[C@@H]1CC ZINC000045367368 175363277 /nfs/dbraw/zinc/36/32/77/175363277.db2.gz UTDFGHPGVBVQGU-ZFWWWQNUSA-N 2 1 270.417 2.312 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH3+])C(=O)OCC ZINC000045370642 175364465 /nfs/dbraw/zinc/36/44/65/175364465.db2.gz KTWMXUFYDBQYLJ-CQSZACIVSA-N 2 1 258.406 2.169 10 0 CEAEMP CCCC[N@@H+](CC)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045370511 175364518 /nfs/dbraw/zinc/36/45/18/175364518.db2.gz XHCAOAAMARLXGV-OAHLLOKOSA-N 2 1 271.449 2.132 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045381017 175369645 /nfs/dbraw/zinc/36/96/45/175369645.db2.gz TXTQWVXUVDIXQS-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OC ZINC000045381017 175369646 /nfs/dbraw/zinc/36/96/46/175369646.db2.gz TXTQWVXUVDIXQS-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383854 175371041 /nfs/dbraw/zinc/37/10/41/175371041.db2.gz JAGLEZWSMIJFAK-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383854 175371042 /nfs/dbraw/zinc/37/10/42/175371042.db2.gz JAGLEZWSMIJFAK-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)CC)[NH2+]C(C)C ZINC000045382909 175371356 /nfs/dbraw/zinc/37/13/56/175371356.db2.gz IQVTXXJJAMPTHI-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)CC)[NH2+]C(C)C ZINC000045382909 175371357 /nfs/dbraw/zinc/37/13/57/175371357.db2.gz IQVTXXJJAMPTHI-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385485 175372068 /nfs/dbraw/zinc/37/20/68/175372068.db2.gz RVRJXJLXGMRFBN-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385485 175372070 /nfs/dbraw/zinc/37/20/70/175372070.db2.gz RVRJXJLXGMRFBN-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](CC)[C@@H](C)CC ZINC000045385438 175372104 /nfs/dbraw/zinc/37/21/04/175372104.db2.gz OYKUKIJPAZGYRD-JSGCOSHPSA-N 2 1 258.406 2.168 10 0 CEAEMP CCC[N@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045386879 175373148 /nfs/dbraw/zinc/37/31/48/175373148.db2.gz QUMUTCSJVIFPCL-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045386879 175373150 /nfs/dbraw/zinc/37/31/50/175373150.db2.gz QUMUTCSJVIFPCL-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCCC[N@@H+](C)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045387929 175373655 /nfs/dbraw/zinc/37/36/55/175373655.db2.gz JWOJGXGOFCEFHB-CQSZACIVSA-N 2 1 258.406 2.169 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C(CC)CC)C(N)=O ZINC000045391640 175374327 /nfs/dbraw/zinc/37/43/27/175374327.db2.gz UHNJGQXNZLAZFQ-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C(CC)CC)C(N)=O ZINC000045391637 175374545 /nfs/dbraw/zinc/37/45/45/175374545.db2.gz UHNJGQXNZLAZFQ-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](CC)C1CCCC1 ZINC000045390578 175375038 /nfs/dbraw/zinc/37/50/38/175375038.db2.gz CQNMHRRNEJVGPG-HNNXBMFYSA-N 2 1 270.417 2.312 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](C)[C@@H](C)C(C)C ZINC000045392096 175375546 /nfs/dbraw/zinc/37/55/46/175375546.db2.gz FKWIVIALSYNITN-GXTWGEPZSA-N 2 1 258.406 2.023 10 0 CEAEMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000665299433 415687652 /nfs/dbraw/zinc/68/76/52/415687652.db2.gz MYKOSKNMLPKCNO-UWVGGRQHSA-N 2 1 273.302 2.188 10 0 CEAEMP COCC[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000071137986 176036271 /nfs/dbraw/zinc/03/62/71/176036271.db2.gz KZBYBIRBQBRCAZ-MRXNPFEDSA-N 2 1 292.423 2.143 10 0 CEAEMP COCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000071137986 176036273 /nfs/dbraw/zinc/03/62/73/176036273.db2.gz KZBYBIRBQBRCAZ-MRXNPFEDSA-N 2 1 292.423 2.143 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(CN)[N@@H+](CCCOC)CCOC ZINC000071161920 176046176 /nfs/dbraw/zinc/04/61/76/176046176.db2.gz KNSRLTBGGHZJBT-HOTGVXAUSA-N 2 1 286.460 2.269 10 0 CEAEMP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071187914 176061879 /nfs/dbraw/zinc/06/18/79/176061879.db2.gz AHKUXAKTXWDQHC-UMVBOHGHSA-N 2 1 281.469 2.328 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000071188731 176063638 /nfs/dbraw/zinc/06/36/38/176063638.db2.gz BFMZQFBQSASDJG-OLMNPRSZSA-N 2 1 287.451 2.275 10 0 CEAEMP CC(C)C[NH2+]Cc1cc(N(C)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000071191639 176069760 /nfs/dbraw/zinc/06/97/60/176069760.db2.gz GQWVWZWMWROVTN-HNNXBMFYSA-N 2 1 290.455 2.215 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191321 176069837 /nfs/dbraw/zinc/06/98/37/176069837.db2.gz INVKYCJNFPLHOU-VQHPVUNQSA-N 2 1 281.488 2.284 10 0 CEAEMP CC(C)[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191932 176071347 /nfs/dbraw/zinc/07/13/47/176071347.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 2 1 279.428 2.161 10 0 CEAEMP CC(C)[NH2+]Cc1nc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000071192014 176072191 /nfs/dbraw/zinc/07/21/91/176072191.db2.gz YSYCMTWHYYAUEO-CYBMUJFWSA-N 2 1 296.484 2.025 10 0 CEAEMP CC1CCC([NH2+]CCN(C)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000071192404 176073922 /nfs/dbraw/zinc/07/39/22/176073922.db2.gz IGQAGRLZQDHMCH-HWOWSKLDSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000071198302 176077121 /nfs/dbraw/zinc/07/71/21/176077121.db2.gz NLFJTNCILWHZFK-CABCVRRESA-N 3 1 255.450 2.181 10 0 CEAEMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000071198302 176077122 /nfs/dbraw/zinc/07/71/22/176077122.db2.gz NLFJTNCILWHZFK-CABCVRRESA-N 3 1 255.450 2.181 10 0 CEAEMP C[N@H+](Cc1ccccn1)Cc1ccc(F)cc1C[NH3+] ZINC000071250425 176095178 /nfs/dbraw/zinc/09/51/78/176095178.db2.gz NWACHPSEIQHVIU-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP C[N@@H+](Cc1ccccn1)Cc1ccc(F)cc1C[NH3+] ZINC000071250425 176095180 /nfs/dbraw/zinc/09/51/80/176095180.db2.gz NWACHPSEIQHVIU-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP CCC(CC)[N@@H+](CCO)Cc1ccc(F)cc1C[NH3+] ZINC000071263468 176096584 /nfs/dbraw/zinc/09/65/84/176096584.db2.gz PYLIEHFPMFTCJF-UHFFFAOYSA-N 2 1 268.376 2.267 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC(C)(C)[NH2+]C[C@@H]2C)c1C ZINC000071342212 176130537 /nfs/dbraw/zinc/13/05/37/176130537.db2.gz YEGBPFSTQWWWQT-LBPRGKRZSA-N 2 1 277.412 2.279 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000071359295 176137424 /nfs/dbraw/zinc/13/74/24/176137424.db2.gz XLVKYVDPCDCWMQ-AWEZNQCLSA-N 2 1 276.428 2.188 10 0 CEAEMP COCCC[N@@H+](C)CCC[C@@H]([NH3+])c1ccccc1 ZINC000071402084 176153894 /nfs/dbraw/zinc/15/38/94/176153894.db2.gz MBEUSHVJZMJMJA-OAHLLOKOSA-N 2 1 250.386 2.435 10 0 CEAEMP C[NH+](C)C1(C[NH2+]C2CCC([NH3+])CC2)CCCCC1 ZINC000094074651 289058154 /nfs/dbraw/zinc/05/81/54/289058154.db2.gz PYVJEGWCPZRHDP-UHFFFAOYSA-N 3 1 253.434 2.110 10 0 CEAEMP CC(C)C[NH2+]CCCC[NH+]1CCN(CC(C)C)CC1 ZINC000055075980 519743275 /nfs/dbraw/zinc/74/32/75/519743275.db2.gz PMJSVXGQZRPNGG-UHFFFAOYSA-N 2 1 269.477 2.286 10 0 CEAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@H](C)COC)cc1C ZINC000052512032 520028093 /nfs/dbraw/zinc/02/80/93/520028093.db2.gz DEXXETLVJCAYRU-GFCCVEGCSA-N 2 1 254.374 2.164 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](CC)C1CCCC1)C(N)=O ZINC000068624551 520045482 /nfs/dbraw/zinc/04/54/82/520045482.db2.gz RXYYVUZMNDMGHK-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](CC)C1CCCC1)C(N)=O ZINC000068624551 520045486 /nfs/dbraw/zinc/04/54/86/520045486.db2.gz RXYYVUZMNDMGHK-BBRMVZONSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653658 520115901 /nfs/dbraw/zinc/11/59/01/520115901.db2.gz IACGPFGETOZFRR-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653658 520115912 /nfs/dbraw/zinc/11/59/12/520115912.db2.gz IACGPFGETOZFRR-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000062740935 520306927 /nfs/dbraw/zinc/30/69/27/520306927.db2.gz JXUSWHMVESWAPJ-MRXNPFEDSA-N 2 1 264.413 2.435 10 0 CEAEMP CCCCOCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602842 520761357 /nfs/dbraw/zinc/76/13/57/520761357.db2.gz RPPHQGJHLWCBLT-GOOCMWNKSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCCCO1 ZINC000054602363 521954438 /nfs/dbraw/zinc/95/44/38/521954438.db2.gz SFNOZZMVGWVENX-DKUMPPAJSA-N 2 1 252.402 2.160 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCSC2)oc1C ZINC000052453183 522103811 /nfs/dbraw/zinc/10/38/11/522103811.db2.gz QRMSJOWBUPQUCW-GFCCVEGCSA-N 2 1 254.399 2.245 10 0 CEAEMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529333 533845609 /nfs/dbraw/zinc/84/56/09/533845609.db2.gz RDIKHXLMCOGRBN-DOTOQJQBSA-N 2 1 275.440 2.096 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529333 533845617 /nfs/dbraw/zinc/84/56/17/533845617.db2.gz RDIKHXLMCOGRBN-DOTOQJQBSA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529333 533845622 /nfs/dbraw/zinc/84/56/22/533845622.db2.gz RDIKHXLMCOGRBN-DOTOQJQBSA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@H]([NH2+]CCCN(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529333 533845630 /nfs/dbraw/zinc/84/56/30/533845630.db2.gz RDIKHXLMCOGRBN-DOTOQJQBSA-N 2 1 275.440 2.096 10 0 CEAEMP CCc1[nH+]ccn1C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052593190 522585951 /nfs/dbraw/zinc/58/59/51/522585951.db2.gz SFPADKUFRBKTKD-QWHCGFSZSA-N 2 1 265.401 2.381 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069311301 518761335 /nfs/dbraw/zinc/76/13/35/518761335.db2.gz OHULYNVXBORRSW-CQSZACIVSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069311301 518761341 /nfs/dbraw/zinc/76/13/41/518761341.db2.gz OHULYNVXBORRSW-CQSZACIVSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183152 519720221 /nfs/dbraw/zinc/72/02/21/519720221.db2.gz AATMWUXIXDYWSO-OAHLLOKOSA-N 2 1 298.471 2.281 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2C[C@@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183152 519720223 /nfs/dbraw/zinc/72/02/23/519720223.db2.gz AATMWUXIXDYWSO-OAHLLOKOSA-N 2 1 298.471 2.281 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2C)O1 ZINC000052379030 519725600 /nfs/dbraw/zinc/72/56/00/519725600.db2.gz AKGQYFKSWOLVTN-ZNMIVQPWSA-N 2 1 254.418 2.406 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@H]1C ZINC000052476103 519727661 /nfs/dbraw/zinc/72/76/61/519727661.db2.gz ITHKGFBOQXRNCY-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@H]1C ZINC000052476103 519727664 /nfs/dbraw/zinc/72/76/64/519727664.db2.gz ITHKGFBOQXRNCY-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637948 519736593 /nfs/dbraw/zinc/73/65/93/519736593.db2.gz GRHVNSFDHUWHFL-CJNGLKHVSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637948 519736595 /nfs/dbraw/zinc/73/65/95/519736595.db2.gz GRHVNSFDHUWHFL-CJNGLKHVSA-N 2 1 283.460 2.127 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C[C@H]2CCCO2)CCOCC1 ZINC000052182999 519742741 /nfs/dbraw/zinc/74/27/41/519742741.db2.gz BAQISMNSMTVXHX-MRXNPFEDSA-N 2 1 298.471 2.140 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@H+]1CCCN(C)CC1 ZINC000052424318 519743542 /nfs/dbraw/zinc/74/35/42/519743542.db2.gz XNKLUYOPLUKSKH-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000052477748 519743692 /nfs/dbraw/zinc/74/36/92/519743692.db2.gz ZBQHDHFDPDEPEE-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@H+]1C ZINC000052206053 519775669 /nfs/dbraw/zinc/77/56/69/519775669.db2.gz PVXWKZBFROIWRC-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206053 519775670 /nfs/dbraw/zinc/77/56/70/519775670.db2.gz PVXWKZBFROIWRC-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052206053 519775672 /nfs/dbraw/zinc/77/56/72/519775672.db2.gz PVXWKZBFROIWRC-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000049555569 519775738 /nfs/dbraw/zinc/77/57/38/519775738.db2.gz SICQDTUEZRVOPU-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOCC ZINC000054626699 519908027 /nfs/dbraw/zinc/90/80/27/519908027.db2.gz SYUFOPKFFFQNRC-GOOCMWNKSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CN2CCC1CC2 ZINC000054603253 519908430 /nfs/dbraw/zinc/90/84/30/519908430.db2.gz ZUUYEVBELLXUPS-NPYXIHBLSA-N 2 1 277.456 2.076 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1C[NH+]2CCC1CC2 ZINC000054603253 519908431 /nfs/dbraw/zinc/90/84/31/519908431.db2.gz ZUUYEVBELLXUPS-NPYXIHBLSA-N 2 1 277.456 2.076 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+](C)Cc2ccncc2)CCOCC1 ZINC000052181907 519909655 /nfs/dbraw/zinc/90/96/55/519909655.db2.gz VESLVOGUZRIZGB-UHFFFAOYSA-N 2 1 291.439 2.310 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)Cc2ccncc2)CCOCC1 ZINC000052181907 519909656 /nfs/dbraw/zinc/90/96/56/519909656.db2.gz VESLVOGUZRIZGB-UHFFFAOYSA-N 2 1 291.439 2.310 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](C)C[C@H]2CCCCO2)CCOCC1 ZINC000052182384 519909700 /nfs/dbraw/zinc/90/97/00/519909700.db2.gz MCCLVCMJIAJXDA-MRXNPFEDSA-N 2 1 298.471 2.284 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197742 519914082 /nfs/dbraw/zinc/91/40/82/519914082.db2.gz LTPPRYRPJHYBNH-JKSUJKDBSA-N 2 1 296.455 2.036 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197742 519914084 /nfs/dbraw/zinc/91/40/84/519914084.db2.gz LTPPRYRPJHYBNH-JKSUJKDBSA-N 2 1 296.455 2.036 10 0 CEAEMP CCC[NH2+]CC[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515492 519919306 /nfs/dbraw/zinc/91/93/06/519919306.db2.gz MHBIKDSGKUNNMC-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](CC)CCOC ZINC000052542692 519972980 /nfs/dbraw/zinc/97/29/80/519972980.db2.gz GBSBOLMVENDHOU-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@H](C)COC)c(C)o1 ZINC000052572446 519988647 /nfs/dbraw/zinc/98/86/47/519988647.db2.gz UYWSSUCZBYEBMS-CYBMUJFWSA-N 2 1 298.427 2.181 10 0 CEAEMP CC[NH2+]Cc1ccoc1COCC[C@@H]1CCC[N@H+]1C ZINC000052673140 520014333 /nfs/dbraw/zinc/01/43/33/520014333.db2.gz PRXZSGMCFUOYIQ-AWEZNQCLSA-N 2 1 266.385 2.390 10 0 CEAEMP CC[NH2+][C@@H](C)CCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078745 520072498 /nfs/dbraw/zinc/07/24/98/520072498.db2.gz JVSNFUSXQRAIOE-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627060 520139624 /nfs/dbraw/zinc/13/96/24/520139624.db2.gz DVBZJHZILFWJEG-DLTWYDFYSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627060 520139629 /nfs/dbraw/zinc/13/96/29/520139629.db2.gz DVBZJHZILFWJEG-DLTWYDFYSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000054554794 520219919 /nfs/dbraw/zinc/21/99/19/520219919.db2.gz NUUAFNNKODKQGB-ULQDDVLXSA-N 2 1 281.488 2.427 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062740958 520515825 /nfs/dbraw/zinc/51/58/25/520515825.db2.gz CQEGHMIFFXKQON-ZNMIVQPWSA-N 2 1 254.418 2.252 10 0 CEAEMP CCC[C@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702532 521221849 /nfs/dbraw/zinc/22/18/49/521221849.db2.gz ISWJEUUQADGZAJ-DLBZAZTESA-N 2 1 290.455 2.434 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000069443353 521300105 /nfs/dbraw/zinc/30/01/05/521300105.db2.gz YOFMTQGQMCEGJU-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCC[C@](C)(NC)C(=O)OC ZINC000069443353 521300090 /nfs/dbraw/zinc/30/00/90/521300090.db2.gz YOFMTQGQMCEGJU-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC(C)(C)[N@H+](C)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000069443353 521300097 /nfs/dbraw/zinc/30/00/97/521300097.db2.gz YOFMTQGQMCEGJU-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP C[NH2+]CC1(C[N@H+](C)Cc2cccc(F)c2)CCOCC1 ZINC000052181119 521964700 /nfs/dbraw/zinc/96/47/00/521964700.db2.gz UMPBTZDXUMHHKE-UHFFFAOYSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2cccc(F)c2)CCOCC1 ZINC000052181119 521964709 /nfs/dbraw/zinc/96/47/09/521964709.db2.gz UMPBTZDXUMHHKE-UHFFFAOYSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000052507230 522127530 /nfs/dbraw/zinc/12/75/30/522127530.db2.gz WKRBVUOKGQRQGR-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP C[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000068643079 522418746 /nfs/dbraw/zinc/41/87/46/522418746.db2.gz PKIQXHYGGUDIGF-HOCLYGCPSA-N 2 1 295.471 2.275 10 0 CEAEMP COC1CC[NH+]([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624605 522707406 /nfs/dbraw/zinc/70/74/06/522707406.db2.gz YRVFJWLJLQGQKX-OAHLLOKOSA-N 2 1 262.397 2.057 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1)Cc1cccnc1C[NH3+] ZINC000061656588 523252863 /nfs/dbraw/zinc/25/28/63/523252863.db2.gz ZKCFYVHEIGRWNI-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1)Cc1cccnc1C[NH3+] ZINC000061656588 523252872 /nfs/dbraw/zinc/25/28/72/523252872.db2.gz ZKCFYVHEIGRWNI-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555533 523258192 /nfs/dbraw/zinc/25/81/92/523258192.db2.gz MSBHDFAEJZAOKH-HRCADAONSA-N 2 1 286.460 2.123 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571164 523344174 /nfs/dbraw/zinc/34/41/74/523344174.db2.gz OPRSWQVLAQBXBK-BBRMVZONSA-N 2 1 262.397 2.405 10 0 CEAEMP COCC[N@H+](C)CCNC1=[NH+][C@@]2(CS1)CCC[C@@H](C)C2 ZINC000061380060 523600988 /nfs/dbraw/zinc/60/09/88/523600988.db2.gz PKDDFLZEWSHGSS-HIFRSBDPSA-N 2 1 299.484 2.206 10 0 CEAEMP COCC[N@@H+](C)CCNC1=[NH+][C@@]2(CS1)CCC[C@@H](C)C2 ZINC000061380060 523600994 /nfs/dbraw/zinc/60/09/94/523600994.db2.gz PKDDFLZEWSHGSS-HIFRSBDPSA-N 2 1 299.484 2.206 10 0 CEAEMP CN([C@@H](CC[NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000055017738 523625113 /nfs/dbraw/zinc/62/51/13/523625113.db2.gz AWDTTZCHJQZMOC-CVEARBPZSA-N 2 1 261.413 2.103 10 0 CEAEMP CN(c1nc(C2CC2)c(C[NH3+])s1)[C@H]1CCC[N@@H+](C)C1 ZINC000069180126 523664082 /nfs/dbraw/zinc/66/40/82/523664082.db2.gz BRAUHGMLZYAWPZ-NSHDSACASA-N 2 1 280.441 2.010 10 0 CEAEMP COCC[N@H+](Cc1cc(C)c(C[NH3+])o1)CC(C)C ZINC000052508595 523741023 /nfs/dbraw/zinc/74/10/23/523741023.db2.gz JAKZQKIGHNDLRJ-UHFFFAOYSA-N 2 1 254.374 2.151 10 0 CEAEMP COCC[N@H+]([C@@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545288 523780810 /nfs/dbraw/zinc/78/08/10/523780810.db2.gz FDNFRTSKFOKIFJ-KBPBESRZSA-N 2 1 256.434 2.367 10 0 CEAEMP COCC[N@@H+]([C@@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545288 523780816 /nfs/dbraw/zinc/78/08/16/523780816.db2.gz FDNFRTSKFOKIFJ-KBPBESRZSA-N 2 1 256.434 2.367 10 0 CEAEMP C[N@H+]1CCCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052424176 523810042 /nfs/dbraw/zinc/81/00/42/523810042.db2.gz YZOKOVVTRJCDPZ-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP CN1CCC[N@H+](Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052424176 523810046 /nfs/dbraw/zinc/81/00/46/523810046.db2.gz YZOKOVVTRJCDPZ-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP CN1CCC[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052424176 523810053 /nfs/dbraw/zinc/81/00/53/523810053.db2.gz YZOKOVVTRJCDPZ-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP CN1CCC[N@@H+](Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052424277 523810104 /nfs/dbraw/zinc/81/01/04/523810104.db2.gz IMKPEOYOOPKXER-UHFFFAOYSA-N 2 1 273.380 2.029 10 0 CEAEMP C[N@@H+]1CCCN(Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052424277 523810108 /nfs/dbraw/zinc/81/01/08/523810108.db2.gz IMKPEOYOOPKXER-UHFFFAOYSA-N 2 1 273.380 2.029 10 0 CEAEMP C[N@H+]1CCCN(Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052424277 523810113 /nfs/dbraw/zinc/81/01/13/523810113.db2.gz IMKPEOYOOPKXER-UHFFFAOYSA-N 2 1 273.380 2.029 10 0 CEAEMP C[N@H+]1CCC[C@H]1CCOCc1csc(C[NH2+]C2CC2)n1 ZINC000052672789 523847227 /nfs/dbraw/zinc/84/72/27/523847227.db2.gz IXDWIIRRWXWLRF-AWEZNQCLSA-N 2 1 295.452 2.396 10 0 CEAEMP CC[C@H](C)C[N@H+]1CCCN(CCCCC[NH3+])CC1 ZINC000050424205 523880574 /nfs/dbraw/zinc/88/05/74/523880574.db2.gz PZCGROKCGXDOAC-HNNXBMFYSA-N 2 1 255.450 2.169 10 0 CEAEMP CC[C@H](C)CN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000050424205 523880579 /nfs/dbraw/zinc/88/05/79/523880579.db2.gz PZCGROKCGXDOAC-HNNXBMFYSA-N 2 1 255.450 2.169 10 0 CEAEMP CC[C@H](C)CN1CCC[N@@H+](CCCCC[NH3+])CC1 ZINC000050424205 523880582 /nfs/dbraw/zinc/88/05/82/523880582.db2.gz PZCGROKCGXDOAC-HNNXBMFYSA-N 2 1 255.450 2.169 10 0 CEAEMP C[N@H+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1(C)C ZINC000069182980 523927843 /nfs/dbraw/zinc/92/78/43/523927843.db2.gz UNIGCHOJJSEYCM-UHFFFAOYSA-N 2 1 280.441 2.010 10 0 CEAEMP C[N@@H+]1CC[C@H](n2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052854687 523990098 /nfs/dbraw/zinc/99/00/98/523990098.db2.gz RESHSLULGDEVNA-LBPRGKRZSA-N 2 1 256.353 2.373 10 0 CEAEMP C[N@H+]1CC[C@H](n2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052854687 523990100 /nfs/dbraw/zinc/99/01/00/523990100.db2.gz RESHSLULGDEVNA-LBPRGKRZSA-N 2 1 256.353 2.373 10 0 CEAEMP COc1ccccc1C[N@H+](C)Cc1occc1C[NH3+] ZINC000052542259 524437610 /nfs/dbraw/zinc/43/76/10/524437610.db2.gz TUAVVXCLFODOIB-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP COc1ccccc1C[N@@H+](C)Cc1occc1C[NH3+] ZINC000052542259 524437620 /nfs/dbraw/zinc/43/76/20/524437620.db2.gz TUAVVXCLFODOIB-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063124154 524497169 /nfs/dbraw/zinc/49/71/69/524497169.db2.gz FIWSGGVFQNDNHU-AWEZNQCLSA-N 3 1 269.477 2.427 10 0 CEAEMP Cc1cc(C[N@@H+](CCN(C)C)CC(C)C)oc1C[NH3+] ZINC000052503345 524667132 /nfs/dbraw/zinc/66/71/32/524667132.db2.gz MMMAAKDYHBJFBT-UHFFFAOYSA-N 2 1 267.417 2.066 10 0 CEAEMP Cc1cc(C[N@H+](CCN(C)C)CC(C)C)oc1C[NH3+] ZINC000052503345 524667135 /nfs/dbraw/zinc/66/71/35/524667135.db2.gz MMMAAKDYHBJFBT-UHFFFAOYSA-N 2 1 267.417 2.066 10 0 CEAEMP Cc1cc(CN2CCC[N@@H+](C)CC2)oc1C[NH2+]C(C)C ZINC000052424481 524679941 /nfs/dbraw/zinc/67/99/41/524679941.db2.gz BCILWEJKMHBONQ-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP C[C@H]([NH3+])[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514055 524851890 /nfs/dbraw/zinc/85/18/90/524851890.db2.gz ICXKGIAZPOIDDM-ZFWWWQNUSA-N 2 1 264.413 2.243 10 0 CEAEMP C[C@H]([NH3+])[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514055 524851898 /nfs/dbraw/zinc/85/18/98/524851898.db2.gz ICXKGIAZPOIDDM-ZFWWWQNUSA-N 2 1 264.413 2.243 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052382566 525039609 /nfs/dbraw/zinc/03/96/09/525039609.db2.gz RNTIQMRIHKVWFS-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052382566 525039618 /nfs/dbraw/zinc/03/96/18/525039618.db2.gz RNTIQMRIHKVWFS-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151315390 526190760 /nfs/dbraw/zinc/19/07/60/526190760.db2.gz QYKFFWJHFQTJSS-AEFFLSMTSA-N 2 1 288.435 2.419 10 0 CEAEMP NC(=[NH2+])c1ncccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061658043 526825457 /nfs/dbraw/zinc/82/54/57/526825457.db2.gz NAQNYZAPUCGBOO-QWHCGFSZSA-N 2 1 272.396 2.378 10 0 CEAEMP [NH3+]C[C@@H](CCc1ccccc1)[N@@H+]1CCCSCC1 ZINC000061624845 527201585 /nfs/dbraw/zinc/20/15/85/527201585.db2.gz IPSNPJRIYJUVFA-OAHLLOKOSA-N 2 1 264.438 2.385 10 0 CEAEMP [NH3+]C[C@@H](CCc1ccccc1)[N@H+]1CCCSCC1 ZINC000061624845 527201590 /nfs/dbraw/zinc/20/15/90/527201590.db2.gz IPSNPJRIYJUVFA-OAHLLOKOSA-N 2 1 264.438 2.385 10 0 CEAEMP [NH3+]Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702141 527260708 /nfs/dbraw/zinc/26/07/08/527260708.db2.gz RQHHSHCVTGVSSP-MRXNPFEDSA-N 2 1 283.375 2.194 10 0 CEAEMP [NH3+]Cc1ccoc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418209 527261647 /nfs/dbraw/zinc/26/16/47/527261647.db2.gz KWPHLMQYVRVUQX-UHFFFAOYSA-N 2 1 289.354 2.200 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000068699016 527425888 /nfs/dbraw/zinc/42/58/88/527425888.db2.gz KYWZDBAHDGLSRJ-RHSMWYFYSA-N 2 1 284.407 2.227 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052576199 527448644 /nfs/dbraw/zinc/44/86/44/527448644.db2.gz XUGAFPVISGMWQJ-QWHCGFSZSA-N 2 1 251.374 2.127 10 0 CEAEMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009632 628242104 /nfs/dbraw/zinc/24/21/04/628242104.db2.gz YIJSCALGRVOVFU-RDBSUJKOSA-N 2 1 299.459 2.314 10 0 CEAEMP Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262037203 629492961 /nfs/dbraw/zinc/49/29/61/629492961.db2.gz YBEUBNVAKNOLKG-RCCFBDPRSA-N 2 1 288.435 2.284 10 0 CEAEMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226467020 639547994 /nfs/dbraw/zinc/54/79/94/639547994.db2.gz KKDYUAJYBYXIIV-HUUCEWRRSA-N 2 1 254.418 2.002 10 0 CEAEMP CCc1cc(NC[C@H]([NH3+])c2ccccc2)nc(C)[nH+]1 ZINC000088760599 640010123 /nfs/dbraw/zinc/01/01/23/640010123.db2.gz PNIXIDKZUCLFMF-AWEZNQCLSA-N 2 1 256.353 2.459 10 0 CEAEMP C[C@@H](CCCC[NH3+])Nc1cc[nH+]cc1Br ZINC000336711771 365775383 /nfs/dbraw/zinc/77/53/83/365775383.db2.gz UQFSPLRUEIPWKI-VIFPVBQESA-N 2 1 272.190 2.195 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](c2ccccc2)[NH2+]C[C@@H]1C ZINC000085504551 179084329 /nfs/dbraw/zinc/08/43/29/179084329.db2.gz LWVUIKVDXCUNKJ-YOEHRIQHSA-N 2 1 284.407 2.227 10 0 CEAEMP CC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085568653 179095605 /nfs/dbraw/zinc/09/56/05/179095605.db2.gz WDJHEDDUSHHSTK-AWEZNQCLSA-N 2 1 290.455 2.212 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1Cc1cccnc1 ZINC000085623944 179106547 /nfs/dbraw/zinc/10/65/47/179106547.db2.gz IFZUEWFNKWXDSI-CZUORRHYSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1Cc1cccnc1 ZINC000085623944 179106549 /nfs/dbraw/zinc/10/65/49/179106549.db2.gz IFZUEWFNKWXDSI-CZUORRHYSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626726 179106974 /nfs/dbraw/zinc/10/69/74/179106974.db2.gz ONYIYUGTBSCRGM-AAEUAGOBSA-N 2 1 294.361 2.418 10 0 CEAEMP c1ccc(C[C@@H]2C[N@H+](C[C@@H]3CCCCO3)CCC[NH2+]2)cc1 ZINC000085608737 179100956 /nfs/dbraw/zinc/10/09/56/179100956.db2.gz ZHYCQKFLINXVGH-MSOLQXFVSA-N 2 1 288.435 2.462 10 0 CEAEMP c1ccc(C[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CCC[NH2+]2)cc1 ZINC000085608737 179100957 /nfs/dbraw/zinc/10/09/57/179100957.db2.gz ZHYCQKFLINXVGH-MSOLQXFVSA-N 2 1 288.435 2.462 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609439 179101111 /nfs/dbraw/zinc/10/11/11/179101111.db2.gz ULLRVVFDJUXDNO-KKUMJFAQSA-N 2 1 254.418 2.266 10 0 CEAEMP C([C@@H]1CCCCO1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612615 179102380 /nfs/dbraw/zinc/10/23/80/179102380.db2.gz QDJHGJYYOAHMLW-AWEZNQCLSA-N 2 1 252.402 2.164 10 0 CEAEMP CC(C)OCC[N@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623126 179105216 /nfs/dbraw/zinc/10/52/16/179105216.db2.gz NWPBFHVLYGIZLP-CQSZACIVSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H]([NH3+])Cc1c(Cl)cccc1N1CC[N@@H+](C)[C@@H](C)C1 ZINC000104278411 136554025 /nfs/dbraw/zinc/55/40/25/136554025.db2.gz ZDKLVRYMKLFPCB-NEPJUHHUSA-N 2 1 281.831 2.370 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085800598 179173827 /nfs/dbraw/zinc/17/38/27/179173827.db2.gz ZYWNYLSFWIGZEB-ZACQAIPSSA-N 2 1 274.408 2.070 10 0 CEAEMP CC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085800598 179173828 /nfs/dbraw/zinc/17/38/28/179173828.db2.gz ZYWNYLSFWIGZEB-ZACQAIPSSA-N 2 1 274.408 2.070 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086143127 179237582 /nfs/dbraw/zinc/23/75/82/179237582.db2.gz LQTIJYQOZUTXGS-SJORKVTESA-N 2 1 273.424 2.117 10 0 CEAEMP CCC[C@@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146745 179240070 /nfs/dbraw/zinc/24/00/70/179240070.db2.gz CBPHLNMJDFMPLA-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146745 179240071 /nfs/dbraw/zinc/24/00/71/179240071.db2.gz CBPHLNMJDFMPLA-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146745 179240074 /nfs/dbraw/zinc/24/00/74/179240074.db2.gz CBPHLNMJDFMPLA-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146745 179240077 /nfs/dbraw/zinc/24/00/77/179240077.db2.gz CBPHLNMJDFMPLA-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146745 179240080 /nfs/dbraw/zinc/24/00/80/179240080.db2.gz CBPHLNMJDFMPLA-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H](C)[C@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086172110 179244247 /nfs/dbraw/zinc/24/42/47/179244247.db2.gz MXMXENWEPUIIRR-CAOSSQGBSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086173648 179244257 /nfs/dbraw/zinc/24/42/57/179244257.db2.gz PWPQJRXFINJFFV-JKSUJKDBSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086173648 179244260 /nfs/dbraw/zinc/24/42/60/179244260.db2.gz PWPQJRXFINJFFV-JKSUJKDBSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177612 179246987 /nfs/dbraw/zinc/24/69/87/179246987.db2.gz BTKJIWRUZLLTEP-SJLPKXTDSA-N 2 1 287.451 2.363 10 0 CEAEMP C1CC1[N@H+]1CC[C@@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086145989 179238816 /nfs/dbraw/zinc/23/88/16/179238816.db2.gz GFYDQGPBTCNKRR-SJORKVTESA-N 2 1 277.456 2.077 10 0 CEAEMP CC[C@H]1CN([C@@H]2CCC[N@@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086225423 179253281 /nfs/dbraw/zinc/25/32/81/179253281.db2.gz FDGQBIACSLYIGE-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086224010 179253949 /nfs/dbraw/zinc/25/39/49/179253949.db2.gz GCKFSOSLVDFSLD-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259584 179257779 /nfs/dbraw/zinc/25/77/79/179257779.db2.gz ZZWYFTQCNFYYNX-QGTPRVQTSA-N 2 1 285.435 2.258 10 0 CEAEMP C[C@H]([C@H]1CCCO1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287097 179264163 /nfs/dbraw/zinc/26/41/63/179264163.db2.gz BGLWGTDPGPQTDL-ZIAGYGMSSA-N 2 1 252.402 2.162 10 0 CEAEMP C[C@@H]([C@@H]1CCCO1)[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287102 179264463 /nfs/dbraw/zinc/26/44/63/179264463.db2.gz ZJVFJQJVDIADGF-IHRRRGAJSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288725 179264793 /nfs/dbraw/zinc/26/47/93/179264793.db2.gz WWYDFTDHHZBWCU-GDBMZVCRSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288725 179264795 /nfs/dbraw/zinc/26/47/95/179264795.db2.gz WWYDFTDHHZBWCU-GDBMZVCRSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291440 179265745 /nfs/dbraw/zinc/26/57/45/179265745.db2.gz QSLSKMQMGJRCST-GOEBONIOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291440 179265746 /nfs/dbraw/zinc/26/57/46/179265746.db2.gz QSLSKMQMGJRCST-GOEBONIOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291567 179266140 /nfs/dbraw/zinc/26/61/40/179266140.db2.gz WVLJDNWROQIARW-XHSDSOJGSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@]1(C)CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293010 179266154 /nfs/dbraw/zinc/26/61/54/179266154.db2.gz MDHJMZMKSVDUGJ-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291575 179266570 /nfs/dbraw/zinc/26/65/70/179266570.db2.gz LJAKUSNCMFUNRN-HZPDHXFCSA-N 2 1 267.461 2.038 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293250 179266819 /nfs/dbraw/zinc/26/68/19/179266819.db2.gz BANULHIHGXLFRZ-UHFFFAOYSA-N 3 1 267.461 2.326 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296831 179267373 /nfs/dbraw/zinc/26/73/73/179267373.db2.gz NTUXZXOPSKHQPJ-QWHCGFSZSA-N 2 1 267.442 2.396 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296831 179267376 /nfs/dbraw/zinc/26/73/76/179267376.db2.gz NTUXZXOPSKHQPJ-QWHCGFSZSA-N 2 1 267.442 2.396 10 0 CEAEMP CC1(C)C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293825 179268008 /nfs/dbraw/zinc/26/80/08/179268008.db2.gz MZULBAXBEUTGPN-AWEZNQCLSA-N 2 1 260.381 2.064 10 0 CEAEMP CC1(C)C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293825 179268009 /nfs/dbraw/zinc/26/80/09/179268009.db2.gz MZULBAXBEUTGPN-AWEZNQCLSA-N 2 1 260.381 2.064 10 0 CEAEMP Cc1cccc(OCC[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818958 179348410 /nfs/dbraw/zinc/34/84/10/179348410.db2.gz QDKPWBSQOKVIKA-HNNXBMFYSA-N 2 1 262.397 2.448 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000086818849 179348426 /nfs/dbraw/zinc/34/84/26/179348426.db2.gz QELOEQMJVUJSAQ-INIZCTEOSA-N 2 1 284.407 2.446 10 0 CEAEMP Cc1cccc(CN(C)[C@]2(C[NH3+])CCC[N@@H+](C)CC2)c1 ZINC000086819346 179348611 /nfs/dbraw/zinc/34/86/11/179348611.db2.gz DBPYICQKTDMFMZ-QGZVFWFLSA-N 2 1 275.440 2.240 10 0 CEAEMP CN(Cc1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819352 179348746 /nfs/dbraw/zinc/34/87/46/179348746.db2.gz SENABHYWPJHOIS-MRXNPFEDSA-N 2 1 279.403 2.071 10 0 CEAEMP Cc1cccc(OCC[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818957 179348901 /nfs/dbraw/zinc/34/89/01/179348901.db2.gz QDKPWBSQOKVIKA-OAHLLOKOSA-N 2 1 262.397 2.448 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC1 ZINC000086817125 179345414 /nfs/dbraw/zinc/34/54/14/179345414.db2.gz NCHMCHMZLFOUCX-HNNXBMFYSA-N 2 1 290.407 2.074 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818580 179346644 /nfs/dbraw/zinc/34/66/44/179346644.db2.gz RPMMBQBEYBWYOU-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818580 179346646 /nfs/dbraw/zinc/34/66/46/179346646.db2.gz RPMMBQBEYBWYOU-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818580 179346647 /nfs/dbraw/zinc/34/66/47/179346647.db2.gz RPMMBQBEYBWYOU-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848951 179357873 /nfs/dbraw/zinc/35/78/73/179357873.db2.gz IGWFWNPTDQESBI-QGZVFWFLSA-N 2 1 279.472 2.453 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836412 179351569 /nfs/dbraw/zinc/35/15/69/179351569.db2.gz BBNQIZGNAOXQRT-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836412 179351570 /nfs/dbraw/zinc/35/15/70/179351570.db2.gz BBNQIZGNAOXQRT-INIZCTEOSA-N 3 1 267.461 2.326 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086836412 179351571 /nfs/dbraw/zinc/35/15/71/179351571.db2.gz BBNQIZGNAOXQRT-INIZCTEOSA-N 3 1 267.461 2.326 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845184 179354991 /nfs/dbraw/zinc/35/49/91/179354991.db2.gz YPNCPZMDDVRMJL-LLVKDONJSA-N 2 1 268.323 2.029 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000086850990 179359674 /nfs/dbraw/zinc/35/96/74/179359674.db2.gz KGNFIDXNVYMSEA-QLFBSQMISA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@H+]1CCC[C@](CO)([NH2+]C2CCCCC2)CC1 ZINC000086867926 179360987 /nfs/dbraw/zinc/36/09/87/179360987.db2.gz RXUUCYSMYPITHE-HNNXBMFYSA-N 2 1 254.418 2.146 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])([NH+](CCOC)CCOC)CC1 ZINC000086911320 179367087 /nfs/dbraw/zinc/36/70/87/179367087.db2.gz MXELHALOAFGZNC-CVEARBPZSA-N 2 1 286.460 2.269 10 0 CEAEMP CC[C@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086920915 179367925 /nfs/dbraw/zinc/36/79/25/179367925.db2.gz IUMIFPZCPYTOBG-LSDHHAIUSA-N 2 1 254.418 2.003 10 0 CEAEMP COCC[N@@H+](C)[C@@]1(C[NH3+])CCC[C@H](C(C)C)CC1 ZINC000086948470 179368605 /nfs/dbraw/zinc/36/86/05/179368605.db2.gz SZRQJYUIYNYQNP-GJZGRUSLSA-N 2 1 256.434 2.498 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCCC2)C1 ZINC000087017534 179380574 /nfs/dbraw/zinc/38/05/74/179380574.db2.gz QRAFBLMWXYGNJD-HUUCEWRRSA-N 2 1 268.445 2.392 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016888 179380671 /nfs/dbraw/zinc/38/06/71/179380671.db2.gz JNHUNOVWTSWMHJ-CABCVRRESA-N 2 1 268.445 2.392 10 0 CEAEMP CC[C@@H](C)SC[C@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000087135661 179396589 /nfs/dbraw/zinc/39/65/89/179396589.db2.gz OEVOOQAXXSAVAI-PWSUYJOCSA-N 2 1 253.415 2.326 10 0 CEAEMP COCc1nc(CNC[C@@H]2CCCC[N@@H+](C)C2)cs1 ZINC000623655998 350075840 /nfs/dbraw/zinc/07/58/40/350075840.db2.gz KRCACRSMAJXDKV-LBPRGKRZSA-N 2 1 283.441 2.111 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000090566019 180005806 /nfs/dbraw/zinc/00/58/06/180005806.db2.gz BEWSHMPTOUAMMA-SJORKVTESA-N 2 1 274.408 2.059 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+](CC(C)C)C1CC1 ZINC000090566541 180005874 /nfs/dbraw/zinc/00/58/74/180005874.db2.gz KKLPARBRTHKVPW-ZFWWWQNUSA-N 2 1 254.418 2.121 10 0 CEAEMP Cc1ncsc1C[N@H+](C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000104449433 186005764 /nfs/dbraw/zinc/00/57/64/186005764.db2.gz WGMOSQNMNAQHCT-NEPJUHHUSA-N 2 1 253.415 2.401 10 0 CEAEMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000104449433 186005765 /nfs/dbraw/zinc/00/57/65/186005765.db2.gz WGMOSQNMNAQHCT-NEPJUHHUSA-N 2 1 253.415 2.401 10 0 CEAEMP CC1(C)CCC[N@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958701 180074924 /nfs/dbraw/zinc/07/49/24/180074924.db2.gz KSFRCJGLMNBAOC-UHFFFAOYSA-N 2 1 253.415 2.266 10 0 CEAEMP CC1(C)CCC[N@@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958701 180074926 /nfs/dbraw/zinc/07/49/26/180074926.db2.gz KSFRCJGLMNBAOC-UHFFFAOYSA-N 2 1 253.415 2.266 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958508 180075035 /nfs/dbraw/zinc/07/50/35/180075035.db2.gz ZYWUFAQSPKOQED-WDEREUQCSA-N 2 1 253.415 2.265 10 0 CEAEMP Nc1ccsc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000090960069 180075479 /nfs/dbraw/zinc/07/54/79/180075479.db2.gz XAKMVVWEWHSIIZ-UHFFFAOYSA-N 2 1 251.399 2.047 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017522 180087307 /nfs/dbraw/zinc/08/73/07/180087307.db2.gz HKPHPZXKNYNPOB-CYBMUJFWSA-N 2 1 272.396 2.383 10 0 CEAEMP CCCC1CC[NH+]([C@H](CN)CC(=O)NC(C)(C)C)CC1 ZINC000091321533 180134309 /nfs/dbraw/zinc/13/43/09/180134309.db2.gz AWKNDBFWTNIOPB-AWEZNQCLSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[N@H+]1CCCC[C@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275496 180118753 /nfs/dbraw/zinc/11/87/53/180118753.db2.gz CONOKKMHLFTANR-IUODEOHRSA-N 2 1 262.401 2.340 10 0 CEAEMP C[N@H+](CC[C@H]([NH3+])c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489218 180168536 /nfs/dbraw/zinc/16/85/36/180168536.db2.gz GXFKBYURZGUCOK-KWCHVYNWSA-N 2 1 282.815 2.433 10 0 CEAEMP C[N@@H+](CC[C@H]([NH3+])c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489218 180168538 /nfs/dbraw/zinc/16/85/38/180168538.db2.gz GXFKBYURZGUCOK-KWCHVYNWSA-N 2 1 282.815 2.433 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1cc[nH+]c(N)c1 ZINC000091572950 180196644 /nfs/dbraw/zinc/19/66/44/180196644.db2.gz UDXUWTCETQAENF-ZFWWWQNUSA-N 2 1 265.401 2.078 10 0 CEAEMP CCC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)N(C)C ZINC000091571797 180196701 /nfs/dbraw/zinc/19/67/01/180196701.db2.gz HXEBXYUBJYJXQB-HZPDHXFCSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCCC1 ZINC000091609681 180205229 /nfs/dbraw/zinc/20/52/29/180205229.db2.gz XSKMDPSOOPTRCT-SJORKVTESA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1cccnc1N)C1([NH+](C)C)CCCCC1 ZINC000091647808 180215156 /nfs/dbraw/zinc/21/51/56/180215156.db2.gz ICMSYNYCQWLAGX-HNNXBMFYSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1cc[nH+]c(N)c1 ZINC000091716753 180232654 /nfs/dbraw/zinc/23/26/54/180232654.db2.gz VHPQSDZHJKEVGF-OAHLLOKOSA-N 3 1 278.444 2.306 10 0 CEAEMP C[NH2+][C@H](C1CCCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721153 180239070 /nfs/dbraw/zinc/23/90/70/180239070.db2.gz OQPUYDRUVXFLHJ-QLFBSQMISA-N 2 1 252.402 2.018 10 0 CEAEMP C[NH2+][C@H](C1CCCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721153 180239072 /nfs/dbraw/zinc/23/90/72/180239072.db2.gz OQPUYDRUVXFLHJ-QLFBSQMISA-N 2 1 252.402 2.018 10 0 CEAEMP C[NH2+][C@@H]1CCCc2sc([C@H]3C[N@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722540 180241121 /nfs/dbraw/zinc/24/11/21/180241121.db2.gz HWZCTRHRJPKFKX-IJLUTSLNSA-N 2 1 293.436 2.276 10 0 CEAEMP CCC[N@@H+](C[C@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000091851705 180272642 /nfs/dbraw/zinc/27/26/42/180272642.db2.gz VCLXVIQOJCYGAL-WLYUNCDWSA-N 2 1 254.418 2.395 10 0 CEAEMP CCC[N@@H+]([C@@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091851804 180272953 /nfs/dbraw/zinc/27/29/53/180272953.db2.gz OLNKWGDWJJBVCO-GRTSSRMGSA-N 2 1 264.417 2.463 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091848044 180271366 /nfs/dbraw/zinc/27/13/66/180271366.db2.gz DRBDOENFMSDSIZ-NRXISQOPSA-N 2 1 260.381 2.192 10 0 CEAEMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091850657 180271833 /nfs/dbraw/zinc/27/18/33/180271833.db2.gz JMTISHKWBYMKBB-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C1CCC([NH3+])CC1 ZINC000091850657 180271835 /nfs/dbraw/zinc/27/18/35/180271835.db2.gz JMTISHKWBYMKBB-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C1CCC([NH3+])CC1 ZINC000091850657 180271836 /nfs/dbraw/zinc/27/18/36/180271836.db2.gz JMTISHKWBYMKBB-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[N@H+](CC[C@@H]1CCCCN1C)C1CCC([NH3+])CC1 ZINC000091850657 180271838 /nfs/dbraw/zinc/27/18/38/180271838.db2.gz JMTISHKWBYMKBB-PCKAHOCUSA-N 2 1 267.461 2.453 10 0 CEAEMP CC[N@@H+](CC[C@@H]1CCCCN1C)C1CCC([NH3+])CC1 ZINC000091850657 180271840 /nfs/dbraw/zinc/27/18/40/180271840.db2.gz JMTISHKWBYMKBB-PCKAHOCUSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CCn2cccn2)CC1 ZINC000091870041 180276978 /nfs/dbraw/zinc/27/69/78/180276978.db2.gz GMTZNJKIFNDELM-UHFFFAOYSA-N 2 1 264.417 2.126 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000091870030 180277468 /nfs/dbraw/zinc/27/74/68/180277468.db2.gz DQMBQGWTOMOMKZ-CVSAEHQPSA-N 2 1 254.418 2.142 10 0 CEAEMP CC[N@H+]1CCO[C@@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092060238 180314830 /nfs/dbraw/zinc/31/48/30/180314830.db2.gz KBOSHVHRCOUQNO-OAHLLOKOSA-N 2 1 279.428 2.097 10 0 CEAEMP CC(C)[NH2+]CCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003712 180304471 /nfs/dbraw/zinc/30/44/71/180304471.db2.gz KJWKRVPYTTWJOT-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP Cc1ccsc1C[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004143 180304734 /nfs/dbraw/zinc/30/47/34/180304734.db2.gz SZGHSSPXKCZINA-CABCVRRESA-N 2 1 293.480 2.315 10 0 CEAEMP CC(C)[NH2+]Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003368 180304828 /nfs/dbraw/zinc/30/48/28/180304828.db2.gz TYKSJBBDNVVZCH-CVEARBPZSA-N 2 1 288.439 2.253 10 0 CEAEMP CCC[NH2+][C@](C)(CO)CCCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090277 180322408 /nfs/dbraw/zinc/32/24/08/180322408.db2.gz YHRDUXSZFAWONK-XHSDSOJGSA-N 2 1 270.461 2.495 10 0 CEAEMP C[C@H](C[N@@H+](C)C[C@@H]1Cc2ccccc2S1)C(N)=[NH2+] ZINC000092262298 180354116 /nfs/dbraw/zinc/35/41/16/180354116.db2.gz URCLPVDCMKINGJ-PWSUYJOCSA-N 2 1 263.410 2.207 10 0 CEAEMP C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298026 180358668 /nfs/dbraw/zinc/35/86/68/180358668.db2.gz MYSUTQPVHLZFSI-QLFBSQMISA-N 2 1 274.408 2.483 10 0 CEAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@H]1COc2ccccc21 ZINC000092298829 180358935 /nfs/dbraw/zinc/35/89/35/180358935.db2.gz YBZDAMGAPXHJLY-AWEZNQCLSA-N 2 1 262.397 2.469 10 0 CEAEMP CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCC[N@H+]2C)s1 ZINC000092625402 180417998 /nfs/dbraw/zinc/41/79/98/180417998.db2.gz DJRFGMBDVXZKOO-GXTWGEPZSA-N 2 1 281.469 2.336 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2C[C@@H]1CCC[N@@H+](C)C1 ZINC000110629943 186308074 /nfs/dbraw/zinc/30/80/74/186308074.db2.gz UCPFKJSVXOABTO-SNVBAGLBSA-N 2 1 292.358 2.108 10 0 CEAEMP C[N@H+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1(C)C ZINC000110921135 186332131 /nfs/dbraw/zinc/33/21/31/186332131.db2.gz GTCVPRMOIGZDTF-AWEZNQCLSA-N 2 1 281.831 2.366 10 0 CEAEMP CC[C@@H]1CN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000110694768 186313465 /nfs/dbraw/zinc/31/34/65/186313465.db2.gz AXBMNLJSBYIWIA-IUODEOHRSA-N 2 1 290.411 2.264 10 0 CEAEMP CC(C)Oc1cccc([C@H](C[NH3+])N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000110707922 186313601 /nfs/dbraw/zinc/31/36/01/186313601.db2.gz POAVAYWIGLJENQ-YOEHRIQHSA-N 2 1 291.439 2.110 10 0 CEAEMP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704962 186313750 /nfs/dbraw/zinc/31/37/50/186313750.db2.gz GDNGTGDCOLBCII-STQMWFEESA-N 2 1 281.469 2.471 10 0 CEAEMP CC[C@H]1CN([C@@H](CC[NH3+])c2ccccc2)CC[N@H+]1C ZINC000110706037 186314967 /nfs/dbraw/zinc/31/49/67/186314967.db2.gz NPSAMOYHPKRBPY-HOTGVXAUSA-N 2 1 261.413 2.103 10 0 CEAEMP CC[C@H]1CN(C[C@@](C)(CC)C[NH2+]C2CC2)CC[N@H+]1C ZINC000110746536 186319322 /nfs/dbraw/zinc/31/93/22/186319322.db2.gz ZBMJZYSPPATTKU-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1CN(C[C@@](C)(C[NH2+]C)c2ccccc2)CC[N@H+]1C ZINC000110746454 186319499 /nfs/dbraw/zinc/31/94/99/186319499.db2.gz HYBJXWSHWVGYRR-ZWKOTPCHSA-N 2 1 289.467 2.190 10 0 CEAEMP C[N@H+]1CCN(CC2(C[NH2+]C3CC3)CCCC2)CC1(C)C ZINC000110747159 186319899 /nfs/dbraw/zinc/31/98/99/186319899.db2.gz CHSOPSVCJWKFMG-UHFFFAOYSA-N 2 1 279.472 2.325 10 0 CEAEMP CCC[NH2+]C[C@](C)(CC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747264 186320075 /nfs/dbraw/zinc/32/00/75/186320075.db2.gz XXDZXIZSKKTLJP-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP C[C@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CC[N@H+]1C ZINC000110751487 186320413 /nfs/dbraw/zinc/32/04/13/186320413.db2.gz GMHWLJNPINIZFN-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCN1C ZINC000110751487 186320415 /nfs/dbraw/zinc/32/04/15/186320415.db2.gz GMHWLJNPINIZFN-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCN1C ZINC000110751487 186320417 /nfs/dbraw/zinc/32/04/17/186320417.db2.gz GMHWLJNPINIZFN-AWEZNQCLSA-N 2 1 273.424 2.075 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110746823 186320870 /nfs/dbraw/zinc/32/08/70/186320870.db2.gz SMOUGKHKCCYQBY-BZUAXINKSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110746823 186320872 /nfs/dbraw/zinc/32/08/72/186320872.db2.gz SMOUGKHKCCYQBY-BZUAXINKSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110746823 186320873 /nfs/dbraw/zinc/32/08/73/186320873.db2.gz SMOUGKHKCCYQBY-BZUAXINKSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C)CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000110753311 186322202 /nfs/dbraw/zinc/32/22/02/186322202.db2.gz CQWAMXQAQUFILZ-KBPBESRZSA-N 2 1 255.450 2.179 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOc1ccc(F)cc1C[NH3+] ZINC000111028553 186345893 /nfs/dbraw/zinc/34/58/93/186345893.db2.gz KVSMCZJIJAAZMR-CYBMUJFWSA-N 2 1 252.333 2.148 10 0 CEAEMP CC[C@H](C[NH2+]CC(C)C)[N@@H+](C)CC1CCOCC1 ZINC000111175839 186364737 /nfs/dbraw/zinc/36/47/37/186364737.db2.gz MHSFCVMANRJUED-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP C[N@@H+](CCC[NH2+]C1CCCC1)CC1CCOCC1 ZINC000111176937 186365518 /nfs/dbraw/zinc/36/55/18/186365518.db2.gz KPOYVWXALYZBQO-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000111175703 186365934 /nfs/dbraw/zinc/36/59/34/186365934.db2.gz QCPUXJXVXUKSMD-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172685 186365969 /nfs/dbraw/zinc/36/59/69/186365969.db2.gz MZIXGOHHNFXBMX-CABCVRRESA-N 2 1 254.418 2.123 10 0 CEAEMP COCC[N@@H+](C[C@@]1(C[NH2+]CC(C)C)CCCOC1)C1CC1 ZINC000111327248 186398569 /nfs/dbraw/zinc/39/85/69/186398569.db2.gz IACCAVWUYMNDED-KRWDZBQOSA-N 2 1 298.471 2.140 10 0 CEAEMP CC(C)[NH2+]C[C@]1(C[N@H+]2CCCSCC2)CCCOC1 ZINC000111328478 186399716 /nfs/dbraw/zinc/39/97/16/186399716.db2.gz KJPKUHNBGUXQAF-HNNXBMFYSA-N 2 1 286.485 2.220 10 0 CEAEMP CO[C@H]1C[N@@H+](CCC(C)(C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630369557 351714252 /nfs/dbraw/zinc/71/42/52/351714252.db2.gz WJHCKBUZBGMYIT-UKRRQHHQSA-N 2 1 254.418 2.251 10 0 CEAEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000122839373 187054729 /nfs/dbraw/zinc/05/47/29/187054729.db2.gz GBCQGJALHPNIDC-HNNXBMFYSA-N 2 1 287.411 2.325 10 0 CEAEMP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)ccc1O ZINC000211474384 539827078 /nfs/dbraw/zinc/82/70/78/539827078.db2.gz VLNWWACFCVPASP-AWEZNQCLSA-N 2 1 278.396 2.174 10 0 CEAEMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)ccc1O ZINC000211474384 539827081 /nfs/dbraw/zinc/82/70/81/539827081.db2.gz VLNWWACFCVPASP-AWEZNQCLSA-N 2 1 278.396 2.174 10 0 CEAEMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)ccc1O ZINC000211474384 539827085 /nfs/dbraw/zinc/82/70/85/539827085.db2.gz VLNWWACFCVPASP-AWEZNQCLSA-N 2 1 278.396 2.174 10 0 CEAEMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)ccc1O ZINC000211474384 539827087 /nfs/dbraw/zinc/82/70/87/539827087.db2.gz VLNWWACFCVPASP-AWEZNQCLSA-N 2 1 278.396 2.174 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000252806971 540008935 /nfs/dbraw/zinc/00/89/35/540008935.db2.gz HYSKUNUHGWWSTR-PBHICJAKSA-N 2 1 285.435 2.001 10 0 CEAEMP NC(=O)c1c[nH+]c2ccccc2c1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038051120 283389176 /nfs/dbraw/zinc/38/91/76/283389176.db2.gz DWWYOAFWAAXQFI-OCCSQVGLSA-N 2 1 284.363 2.016 10 0 CEAEMP O[C@H](C[NH2+][C@H]1CCc2ccccc21)C[NH+]1CCCCC1 ZINC000151268058 366634837 /nfs/dbraw/zinc/63/48/37/366634837.db2.gz XEWQHMFVPSDGGS-WBVHZDCISA-N 2 1 274.408 2.110 10 0 CEAEMP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638447 363836064 /nfs/dbraw/zinc/83/60/64/363836064.db2.gz KCLLUAVSWAULCP-ZNMIVQPWSA-N 2 1 266.429 2.264 10 0 CEAEMP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638447 363836061 /nfs/dbraw/zinc/83/60/61/363836061.db2.gz KCLLUAVSWAULCP-ZNMIVQPWSA-N 2 1 266.429 2.264 10 0 CEAEMP C[N@@H+](Cc1ccc(Br)nc1)C[C@@H]1CCC[NH2+]C1 ZINC000095071146 364331275 /nfs/dbraw/zinc/33/12/75/364331275.db2.gz XWTUELHWHSYXHB-LLVKDONJSA-N 2 1 298.228 2.276 10 0 CEAEMP C[N@H+](Cc1ccc(Br)nc1)C[C@@H]1CCC[NH2+]C1 ZINC000095071146 364331282 /nfs/dbraw/zinc/33/12/82/364331282.db2.gz XWTUELHWHSYXHB-LLVKDONJSA-N 2 1 298.228 2.276 10 0 CEAEMP C[C@@H]([NH3+])C[C@@H](C)Nc1cc[nH+]cc1Br ZINC000160032012 366967295 /nfs/dbraw/zinc/96/72/95/366967295.db2.gz DREKJORIAFYMOH-HTQZYQBOSA-N 2 1 258.163 2.382 10 0 CEAEMP Cc1cc(C)cc(OCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843666 367586176 /nfs/dbraw/zinc/58/61/76/367586176.db2.gz RIOZBCJQKNCGAH-LSDHHAIUSA-N 2 1 262.397 2.209 10 0 CEAEMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000358259120 370977469 /nfs/dbraw/zinc/97/74/69/370977469.db2.gz UIZDSTFWNIHYRX-FMKPAKJESA-N 2 1 268.445 2.248 10 0 CEAEMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000358259120 370977473 /nfs/dbraw/zinc/97/74/73/370977473.db2.gz UIZDSTFWNIHYRX-FMKPAKJESA-N 2 1 268.445 2.248 10 0 CEAEMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000248622553 371224886 /nfs/dbraw/zinc/22/48/86/371224886.db2.gz NPCCWJUTKHIROV-NFAWXSAZSA-N 2 1 271.368 2.317 10 0 CEAEMP C[C@H](c1cnccn1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000248622553 371224890 /nfs/dbraw/zinc/22/48/90/371224890.db2.gz NPCCWJUTKHIROV-NFAWXSAZSA-N 2 1 271.368 2.317 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]12 ZINC000261607313 371674624 /nfs/dbraw/zinc/67/46/24/371674624.db2.gz RRCBDNXCLZXDLL-YESZJQIVSA-N 2 1 256.393 2.344 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]12 ZINC000261607312 371675611 /nfs/dbraw/zinc/67/56/11/371675611.db2.gz RRCBDNXCLZXDLL-IXDOHACOSA-N 2 1 256.393 2.344 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545738 371641389 /nfs/dbraw/zinc/64/13/89/371641389.db2.gz KHJLJPIPOCLPJY-MSOLQXFVSA-N 2 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545738 371641394 /nfs/dbraw/zinc/64/13/94/371641394.db2.gz KHJLJPIPOCLPJY-MSOLQXFVSA-N 3 1 287.451 2.240 10 0 CEAEMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545738 371641401 /nfs/dbraw/zinc/64/14/01/371641401.db2.gz KHJLJPIPOCLPJY-MSOLQXFVSA-N 3 1 287.451 2.240 10 0 CEAEMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261992556 371792946 /nfs/dbraw/zinc/79/29/46/371792946.db2.gz SWZISMBYKYLIJE-KURKYZTESA-N 2 1 288.435 2.284 10 0 CEAEMP C[C@]1(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039511 371808655 /nfs/dbraw/zinc/80/86/55/371808655.db2.gz OZDDWCYYIAWCKK-BBRMVZONSA-N 2 1 290.411 2.126 10 0 CEAEMP C[C@]1(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039511 371808662 /nfs/dbraw/zinc/80/86/62/371808662.db2.gz OZDDWCYYIAWCKK-BBRMVZONSA-N 2 1 290.411 2.126 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262051223 371813682 /nfs/dbraw/zinc/81/36/82/371813682.db2.gz ZPFYIJJYUWTAAT-OAGGEKHMSA-N 2 1 278.371 2.072 10 0 CEAEMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456967 373128413 /nfs/dbraw/zinc/12/84/13/373128413.db2.gz KXMUMPRFORGTFT-JYJNAYRXSA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456967 373128420 /nfs/dbraw/zinc/12/84/20/373128420.db2.gz KXMUMPRFORGTFT-JYJNAYRXSA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456967 373128424 /nfs/dbraw/zinc/12/84/24/373128424.db2.gz KXMUMPRFORGTFT-JYJNAYRXSA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@@H]1C[N@H+]([C@H]2CCc3ccccc3C2)C[C@@]1(C)C[NH3+] ZINC000388553628 375293264 /nfs/dbraw/zinc/29/32/64/375293264.db2.gz WQWILFUKFIPSMH-XOKHGSTOSA-N 2 1 258.409 2.461 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000289305999 197290995 /nfs/dbraw/zinc/29/09/95/197290995.db2.gz DJHLNOSUGWBOJZ-ZFWWWQNUSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289305999 197290996 /nfs/dbraw/zinc/29/09/96/197290996.db2.gz DJHLNOSUGWBOJZ-ZFWWWQNUSA-N 2 1 262.397 2.101 10 0 CEAEMP CN(C)c1[nH+]cccc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451985 184677564 /nfs/dbraw/zinc/67/75/64/184677564.db2.gz FZWNJESYHMFXJW-HZSPNIEDSA-N 2 1 274.412 2.480 10 0 CEAEMP [NH3+]C[C@@]1(O)CCC[C@H]1CC[N@H+]1CCCc2ccccc2C1 ZINC000093626813 184698267 /nfs/dbraw/zinc/69/82/67/184698267.db2.gz MFSGVRVLCXSRIQ-ROUUACIJSA-N 2 1 288.435 2.315 10 0 CEAEMP C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093068389 135079043 /nfs/dbraw/zinc/07/90/43/135079043.db2.gz PXRSSNRSZKEQBV-KBPBESRZSA-N 2 1 279.403 2.192 10 0 CEAEMP [NH3+][C@@H]1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000093224395 135079953 /nfs/dbraw/zinc/07/99/53/135079953.db2.gz LPNKYLFOKXLETA-KGLIPLIRSA-N 2 1 277.387 2.218 10 0 CEAEMP CC[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246218245 394511913 /nfs/dbraw/zinc/51/19/13/394511913.db2.gz LBBPPFBSUQMDCR-KBPBESRZSA-N 2 1 256.434 2.057 10 0 CEAEMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261794320 394607615 /nfs/dbraw/zinc/60/76/15/394607615.db2.gz GIQADEPUMOIGKV-CQSZACIVSA-N 2 1 274.408 2.095 10 0 CEAEMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cnc21 ZINC000262106282 394613712 /nfs/dbraw/zinc/61/37/12/394613712.db2.gz WARKERJHXJBSDM-KRWDZBQOSA-N 2 1 299.422 2.198 10 0 CEAEMP CC(C)n1ncc2cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cnc21 ZINC000262106282 394613717 /nfs/dbraw/zinc/61/37/17/394613717.db2.gz WARKERJHXJBSDM-KRWDZBQOSA-N 2 1 299.422 2.198 10 0 CEAEMP Cc1[nH+]ccn1CCCC[NH+]1[C@H](C)COC[C@H]1C ZINC000162014337 395069452 /nfs/dbraw/zinc/06/94/52/395069452.db2.gz KYGSDIHMBUEUIG-CHWSQXEVSA-N 2 1 251.374 2.081 10 0 CEAEMP Fc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398350120 395234189 /nfs/dbraw/zinc/23/41/89/395234189.db2.gz JCCQUAREGZJLPW-SECBINFHSA-N 2 1 287.176 2.287 10 0 CEAEMP [NH3+][C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000307019031 400337681 /nfs/dbraw/zinc/33/76/81/400337681.db2.gz RPYQUPNCZJVRGR-XNHLSEOASA-N 2 1 285.435 2.215 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)C[C@@H]12 ZINC000394502016 400549820 /nfs/dbraw/zinc/54/98/20/400549820.db2.gz RCESKRBSDBLXHU-YVECIDJPSA-N 2 1 258.356 2.481 10 0 CEAEMP CSc1ccc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)cc1 ZINC000020523755 171236660 /nfs/dbraw/zinc/23/66/60/171236660.db2.gz JKTKWTSAJLOUFR-OAHLLOKOSA-N 2 1 279.453 2.046 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022214155 171375159 /nfs/dbraw/zinc/37/51/59/171375159.db2.gz XIZPWGDQOPXSHA-MJBXVCDLSA-N 2 1 289.423 2.450 10 0 CEAEMP C[N@@H+](CC(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000022214878 171375522 /nfs/dbraw/zinc/37/55/22/171375522.db2.gz HULQCSCFSPJLCH-UHFFFAOYSA-N 2 1 275.396 2.348 10 0 CEAEMP [NH3+]C1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000037325913 173126663 /nfs/dbraw/zinc/12/66/63/173126663.db2.gz HBPHSUKGFDWWGT-QGZVFWFLSA-N 2 1 273.424 2.074 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040622549 174356039 /nfs/dbraw/zinc/35/60/39/174356039.db2.gz IBKRBCNHYOZGPP-LSDHHAIUSA-N 3 1 267.461 2.037 10 0 CEAEMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671168 174369059 /nfs/dbraw/zinc/36/90/59/174369059.db2.gz XXYRNOHGOPFGBK-SFHVURJKSA-N 2 1 289.467 2.235 10 0 CEAEMP CC(C)CC[C@@](C)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392225 174706729 /nfs/dbraw/zinc/70/67/29/174706729.db2.gz WPUUBFZMPAEDMO-INIZCTEOSA-N 2 1 269.477 2.414 10 0 CEAEMP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000043818241 175112912 /nfs/dbraw/zinc/11/29/12/175112912.db2.gz CRUHXEXWLMSRTL-SJORKVTESA-N 2 1 275.440 2.363 10 0 CEAEMP CCOC1CC[NH+]([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000043906913 175122772 /nfs/dbraw/zinc/12/27/72/175122772.db2.gz ZSYZNJLOVUBNRS-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCO[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2[NH2+]C)C1 ZINC000043971182 175131685 /nfs/dbraw/zinc/13/16/85/175131685.db2.gz XZBGQAXXABQKSA-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCCO[C@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2[NH2+]C)C1 ZINC000043971182 175131686 /nfs/dbraw/zinc/13/16/86/175131686.db2.gz XZBGQAXXABQKSA-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073258 175302410 /nfs/dbraw/zinc/30/24/10/175302410.db2.gz ZRNNDKIDIJSTHT-ARFHVFGLSA-N 2 1 266.429 2.408 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045172122 175321904 /nfs/dbraw/zinc/32/19/04/175321904.db2.gz BXYRLEODUXWIOC-WFASDCNBSA-N 2 1 278.444 2.418 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045172122 175321905 /nfs/dbraw/zinc/32/19/05/175321905.db2.gz BXYRLEODUXWIOC-WFASDCNBSA-N 2 1 278.444 2.418 10 0 CEAEMP CC[N@@H+](CC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045224176 175332109 /nfs/dbraw/zinc/33/21/09/175332109.db2.gz VJDGYSKIORPGCN-INIZCTEOSA-N 2 1 281.444 2.027 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045372303 175364835 /nfs/dbraw/zinc/36/48/35/175364835.db2.gz PTTVTDKNHCNETF-HNNXBMFYSA-N 2 1 269.433 2.014 10 0 CEAEMP CCC[NH+](CCC)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045378595 175367742 /nfs/dbraw/zinc/36/77/42/175367742.db2.gz CBKTWIWCWYQIPX-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](CC)C(C)C)[NH2+]C ZINC000045383644 175370669 /nfs/dbraw/zinc/37/06/69/175370669.db2.gz XCZFJCORFYHHAG-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C(C)C)[NH2+]C ZINC000045383644 175370671 /nfs/dbraw/zinc/37/06/71/175370671.db2.gz XCZFJCORFYHHAG-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045385917 175371751 /nfs/dbraw/zinc/37/17/51/175371751.db2.gz AXTHJHOUBYJMGC-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CCCCC[N@H+](C)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045388111 175373907 /nfs/dbraw/zinc/37/39/07/175373907.db2.gz KHEMVJROSTZEIA-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]C)C(=O)OC ZINC000045388111 175373909 /nfs/dbraw/zinc/37/39/09/175373909.db2.gz KHEMVJROSTZEIA-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000045392826 175375454 /nfs/dbraw/zinc/37/54/54/175375454.db2.gz HVDRUEBOYUOLFL-SWLSCSKDSA-N 2 1 270.417 2.168 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1CC[NH3+] ZINC000070542691 175977930 /nfs/dbraw/zinc/97/79/30/175977930.db2.gz GFJJXPOOXNHKON-XJKSGUPXSA-N 2 1 262.397 2.187 10 0 CEAEMP CCC[C@H](C[NH3+])N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000070940870 176014384 /nfs/dbraw/zinc/01/43/84/176014384.db2.gz PNXCARDSSKYEMW-MRXNPFEDSA-N 2 1 279.403 2.071 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169823 176050339 /nfs/dbraw/zinc/05/03/39/176050339.db2.gz AYCBJHZYBMVMCN-DZGCQCFKSA-N 2 1 262.397 2.168 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170256 176050850 /nfs/dbraw/zinc/05/08/50/176050850.db2.gz NVZNMNUFZHZLFO-CQSZACIVSA-N 2 1 274.408 2.441 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188047 176061779 /nfs/dbraw/zinc/06/17/79/176061779.db2.gz ZMLHFCYJBUIDGH-BZPMIXESSA-N 2 1 267.442 2.020 10 0 CEAEMP CCc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000071188365 176063080 /nfs/dbraw/zinc/06/30/80/176063080.db2.gz UCPMWAWXWQIMKD-OCCSQVGLSA-N 2 1 281.469 2.194 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000071190609 176066813 /nfs/dbraw/zinc/06/68/13/176066813.db2.gz BBHFIYPOVCJNDJ-FPCVCCKLSA-N 2 1 282.472 2.446 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000071190609 176066815 /nfs/dbraw/zinc/06/68/15/176066815.db2.gz BBHFIYPOVCJNDJ-FPCVCCKLSA-N 2 1 282.472 2.446 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000071190609 176066816 /nfs/dbraw/zinc/06/68/16/176066816.db2.gz BBHFIYPOVCJNDJ-FPCVCCKLSA-N 2 1 282.472 2.446 10 0 CEAEMP CC(C)[C@H]1CC[C@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190576 176067278 /nfs/dbraw/zinc/06/72/78/176067278.db2.gz DRGJHKJCSCSYOW-QXSJWSMHSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190576 176067280 /nfs/dbraw/zinc/06/72/80/176067280.db2.gz DRGJHKJCSCSYOW-QXSJWSMHSA-N 2 1 268.445 2.056 10 0 CEAEMP CC(C)[C@H]1CC[C@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190576 176067282 /nfs/dbraw/zinc/06/72/82/176067282.db2.gz DRGJHKJCSCSYOW-QXSJWSMHSA-N 2 1 268.445 2.056 10 0 CEAEMP COc1ccc([C@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190643 176068015 /nfs/dbraw/zinc/06/80/15/176068015.db2.gz PLAVFWITHWRGIC-JJRVBVJISA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190643 176068017 /nfs/dbraw/zinc/06/80/17/176068017.db2.gz PLAVFWITHWRGIC-JJRVBVJISA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190643 176068018 /nfs/dbraw/zinc/06/80/18/176068018.db2.gz PLAVFWITHWRGIC-JJRVBVJISA-N 2 1 292.423 2.001 10 0 CEAEMP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC000071191258 176069312 /nfs/dbraw/zinc/06/93/12/176069312.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 2 1 293.430 2.360 10 0 CEAEMP CC[C@H]1CCC(=O)[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191201 176070548 /nfs/dbraw/zinc/07/05/48/176070548.db2.gz HPQCUHCRTOFYJN-RRFJBIMHSA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@H]1CCC(=O)[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191201 176070550 /nfs/dbraw/zinc/07/05/50/176070550.db2.gz HPQCUHCRTOFYJN-RRFJBIMHSA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@H]1CCC(=O)[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071191201 176070552 /nfs/dbraw/zinc/07/05/52/176070552.db2.gz HPQCUHCRTOFYJN-RRFJBIMHSA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@H]1CCC(=O)[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071191201 176070554 /nfs/dbraw/zinc/07/05/54/176070554.db2.gz HPQCUHCRTOFYJN-RRFJBIMHSA-N 2 1 266.429 2.265 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1cccc(C[NH2+]C(C)(C)C)n1 ZINC000071191782 176071139 /nfs/dbraw/zinc/07/11/39/176071139.db2.gz VMXLTDKMZCUQPE-CQSZACIVSA-N 2 1 290.455 2.358 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191958 176071795 /nfs/dbraw/zinc/07/17/95/176071795.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 2 1 279.428 2.161 10 0 CEAEMP CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191971 176072236 /nfs/dbraw/zinc/07/22/36/176072236.db2.gz OLFNMOWRJDAZSZ-CABCVRRESA-N 2 1 269.477 2.283 10 0 CEAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000071191863 176072316 /nfs/dbraw/zinc/07/23/16/176072316.db2.gz PNZCAGIPOFRKJQ-OAHLLOKOSA-N 3 1 269.477 2.428 10 0 CEAEMP C[NH+](CCCCC[NH2+]C(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000071191863 176072318 /nfs/dbraw/zinc/07/23/18/176072318.db2.gz PNZCAGIPOFRKJQ-OAHLLOKOSA-N 3 1 269.477 2.428 10 0 CEAEMP C[NH+](CCCCC[NH2+]C(C)(C)C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191863 176072319 /nfs/dbraw/zinc/07/23/19/176072319.db2.gz PNZCAGIPOFRKJQ-OAHLLOKOSA-N 3 1 269.477 2.428 10 0 CEAEMP CN1CC[C@H](C[N@H+](C)CCCCC[NH2+]C(C)(C)C)C1 ZINC000071191863 176072320 /nfs/dbraw/zinc/07/23/20/176072320.db2.gz PNZCAGIPOFRKJQ-OAHLLOKOSA-N 2 1 269.477 2.428 10 0 CEAEMP CN1CC[C@H](C[N@@H+](C)CCCCC[NH2+]C(C)(C)C)C1 ZINC000071191863 176072322 /nfs/dbraw/zinc/07/23/22/176072322.db2.gz PNZCAGIPOFRKJQ-OAHLLOKOSA-N 2 1 269.477 2.428 10 0 CEAEMP Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192041 176074092 /nfs/dbraw/zinc/07/40/92/176074092.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 2 1 291.439 2.224 10 0 CEAEMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000071198303 176077376 /nfs/dbraw/zinc/07/73/76/176077376.db2.gz NLFJTNCILWHZFK-GJZGRUSLSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000071198303 176077378 /nfs/dbraw/zinc/07/73/78/176077378.db2.gz NLFJTNCILWHZFK-GJZGRUSLSA-N 3 1 255.450 2.181 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1cc(C)cc(C)c1 ZINC000071224373 176088280 /nfs/dbraw/zinc/08/82/80/176088280.db2.gz LHBQZPAWVVQCMO-UHFFFAOYSA-N 2 1 250.386 2.101 10 0 CEAEMP COCC[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])[C@@H](C)C1CC1 ZINC000071267911 176101520 /nfs/dbraw/zinc/10/15/20/176101520.db2.gz VEUKBGKZHKKNLP-NSHDSACASA-N 2 1 293.386 2.357 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000071290110 176110214 /nfs/dbraw/zinc/11/02/14/176110214.db2.gz DOMOVHPRTLVTGO-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cnn3ccccc13)C2 ZINC000071373164 176138179 /nfs/dbraw/zinc/13/81/79/176138179.db2.gz UBXZILGYNKZPJA-VHRNVKJDSA-N 2 1 284.407 2.297 10 0 CEAEMP C[N@@H+](CCNCC[C@H]1CCCC[NH+]1C)C1CCCC1 ZINC000071377260 176142087 /nfs/dbraw/zinc/14/20/87/176142087.db2.gz MZDNALZJDOHCBZ-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH+](CCNCC[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC000071377260 176142089 /nfs/dbraw/zinc/14/20/89/176142089.db2.gz MZDNALZJDOHCBZ-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH+](CCNCC[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000071377260 176142090 /nfs/dbraw/zinc/14/20/90/176142090.db2.gz MZDNALZJDOHCBZ-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859027 260220417 /nfs/dbraw/zinc/22/04/17/260220417.db2.gz PDGCXWOUPDNNON-FUHWJXTLSA-N 2 1 289.467 2.486 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859027 260220418 /nfs/dbraw/zinc/22/04/18/260220418.db2.gz PDGCXWOUPDNNON-FUHWJXTLSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859027 260220419 /nfs/dbraw/zinc/22/04/19/260220419.db2.gz PDGCXWOUPDNNON-FUHWJXTLSA-N 3 1 289.467 2.486 10 0 CEAEMP C[C@H]([NH2+]CCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859027 260220420 /nfs/dbraw/zinc/22/04/20/260220420.db2.gz PDGCXWOUPDNNON-FUHWJXTLSA-N 2 1 289.467 2.486 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400767032 278284343 /nfs/dbraw/zinc/28/43/43/278284343.db2.gz ZIFSOCWJOPTZAH-ZOBUZTSGSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400767032 278284344 /nfs/dbraw/zinc/28/43/44/278284344.db2.gz ZIFSOCWJOPTZAH-ZOBUZTSGSA-N 2 1 275.440 2.095 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251431694 279133824 /nfs/dbraw/zinc/13/38/24/279133824.db2.gz SCRXJASFXNLERZ-OAGGEKHMSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251431694 279133827 /nfs/dbraw/zinc/13/38/27/279133827.db2.gz SCRXJASFXNLERZ-OAGGEKHMSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251431694 279133829 /nfs/dbraw/zinc/13/38/29/279133829.db2.gz SCRXJASFXNLERZ-OAGGEKHMSA-N 2 1 267.461 2.179 10 0 CEAEMP CCC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245729497 280258709 /nfs/dbraw/zinc/25/87/09/280258709.db2.gz YILRSVIEIFJHRT-CVEARBPZSA-N 2 1 297.487 2.345 10 0 CEAEMP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249248999 280389590 /nfs/dbraw/zinc/38/95/90/280389590.db2.gz BSCBMAFMAABVDO-WBVHZDCISA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249248999 280389592 /nfs/dbraw/zinc/38/95/92/280389592.db2.gz BSCBMAFMAABVDO-WBVHZDCISA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249248999 280389594 /nfs/dbraw/zinc/38/95/94/280389594.db2.gz BSCBMAFMAABVDO-WBVHZDCISA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249248999 280389595 /nfs/dbraw/zinc/38/95/95/280389595.db2.gz BSCBMAFMAABVDO-WBVHZDCISA-N 2 1 291.439 2.118 10 0 CEAEMP CCC[NH2+]CC[C@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503419 519919592 /nfs/dbraw/zinc/91/95/92/519919592.db2.gz RBYVVUANWGLKLP-HNNXBMFYSA-N 2 1 257.466 2.284 10 0 CEAEMP CCC[NH2+]CC[C@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503419 519919595 /nfs/dbraw/zinc/91/95/95/519919595.db2.gz RBYVVUANWGLKLP-HNNXBMFYSA-N 2 1 257.466 2.284 10 0 CEAEMP CCC[NH2+][C@H](C[N@H+](C)CC1CCOCC1)C1CC1 ZINC000069075851 520081129 /nfs/dbraw/zinc/08/11/29/520081129.db2.gz FGMMPEGKWCVISQ-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@H](C[N@@H+](C)CC1CCOCC1)C1CC1 ZINC000069075851 520081136 /nfs/dbraw/zinc/08/11/36/520081136.db2.gz FGMMPEGKWCVISQ-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647805 520113442 /nfs/dbraw/zinc/11/34/42/520113442.db2.gz IJHPVTPRJFDTSO-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647805 520113447 /nfs/dbraw/zinc/11/34/47/520113447.db2.gz IJHPVTPRJFDTSO-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[N@H+](Cc1ccccc1)C[C@H](C[NH3+])OCC ZINC000062739587 521687337 /nfs/dbraw/zinc/68/73/37/521687337.db2.gz YGRASCCYZSDMPQ-HNNXBMFYSA-N 2 1 250.386 2.262 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCCCC2)O1 ZINC000052346815 522058210 /nfs/dbraw/zinc/05/82/10/522058210.db2.gz KOLHIUHAQCKLEN-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP C(C[C@@H]1CCC[NH2+]1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052764404 518396690 /nfs/dbraw/zinc/39/66/90/518396690.db2.gz UXLCDYPHQZKJRY-INIZCTEOSA-N 2 1 279.472 2.469 10 0 CEAEMP CC(C)C1CCC(C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000054556974 519561526 /nfs/dbraw/zinc/56/15/26/519561526.db2.gz SUBQWXSPLNSCBT-UHFFFAOYSA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180444 519719664 /nfs/dbraw/zinc/71/96/64/519719664.db2.gz XZVMMEILCPNUQM-AWEZNQCLSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)[NH2+]C[C@H](C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062036488 519724430 /nfs/dbraw/zinc/72/44/30/519724430.db2.gz ALBAEXZUDGXHLL-INIZCTEOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC(C)CN1CC[NH+](CCCCC[NH2+]C(C)C)CC1 ZINC000055082956 519725311 /nfs/dbraw/zinc/72/53/11/519725311.db2.gz YCWBRTJISKRSFV-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)N[C@@](C)(C[C@H](C)[N@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647926 519736375 /nfs/dbraw/zinc/73/63/75/519736375.db2.gz CDQJGKXOJLBCSY-DZKIICNBSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647926 519736377 /nfs/dbraw/zinc/73/63/77/519736377.db2.gz CDQJGKXOJLBCSY-DZKIICNBSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647926 519736378 /nfs/dbraw/zinc/73/63/78/519736378.db2.gz CDQJGKXOJLBCSY-DZKIICNBSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)[C@@H](C[NH3+])O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702298 519794247 /nfs/dbraw/zinc/79/42/47/519794247.db2.gz FLLBEYRJSHPHCG-HZPDHXFCSA-N 2 1 262.397 2.261 10 0 CEAEMP CCCC1CC[NH+]([C@H](C)C[C@](C)([NH2+]CC)C(N)=O)CC1 ZINC000068641790 519903502 /nfs/dbraw/zinc/90/35/02/519903502.db2.gz BGUGFVJGBPOTEM-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674927 519922274 /nfs/dbraw/zinc/92/22/74/519922274.db2.gz SFPWRSFCNTVVQB-AWEZNQCLSA-N 2 1 276.380 2.237 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674927 519922278 /nfs/dbraw/zinc/92/22/78/519922278.db2.gz SFPWRSFCNTVVQB-AWEZNQCLSA-N 2 1 276.380 2.237 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)[C@H](C)COC)o1 ZINC000052511503 519948065 /nfs/dbraw/zinc/94/80/65/519948065.db2.gz LLUKOGFNQDSEJX-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+]Cc1cc(C[NH+]2CCSCC2)oc1C ZINC000052425539 519990857 /nfs/dbraw/zinc/99/08/57/519990857.db2.gz HJMAPOOIJBTREU-UHFFFAOYSA-N 2 1 254.399 2.246 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](C)CCO ZINC000054560061 520024883 /nfs/dbraw/zinc/02/48/83/520024883.db2.gz GZNPGYFUATVMSO-BZUAXINKSA-N 2 1 270.461 2.351 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C)(CC)CC1)C(N)=O ZINC000068645149 520144846 /nfs/dbraw/zinc/14/48/46/520144846.db2.gz IPBMXPGBHPYZPB-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCCC[N@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)C(C)C ZINC000062463172 520175221 /nfs/dbraw/zinc/17/52/21/520175221.db2.gz DVGJVVFMQJOIHR-AWEZNQCLSA-N 2 1 271.449 2.129 10 0 CEAEMP CCCCC[N@@H+](CC[C@H]([NH2+]C(C)C)C(N)=O)C(C)C ZINC000062463172 520175230 /nfs/dbraw/zinc/17/52/30/520175230.db2.gz DVGJVVFMQJOIHR-AWEZNQCLSA-N 2 1 271.449 2.129 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC000054560657 520218435 /nfs/dbraw/zinc/21/84/35/520218435.db2.gz TWVMCQIOBJVZPR-FPCVCCKLSA-N 2 1 270.461 2.349 10 0 CEAEMP CCCC[C@@](CC)(C[NH3+])N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000069380853 521121352 /nfs/dbraw/zinc/12/13/52/521121352.db2.gz RLADSAXDBBFTQW-CABCVRRESA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052510958 521228348 /nfs/dbraw/zinc/22/83/48/521228348.db2.gz HZPRAVHGNABOGM-ZFWWWQNUSA-N 2 1 254.418 2.408 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000061654610 521840201 /nfs/dbraw/zinc/84/02/01/521840201.db2.gz SLOQWIQHFYYIEC-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000061654610 521840211 /nfs/dbraw/zinc/84/02/11/521840211.db2.gz SLOQWIQHFYYIEC-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP COCC[C@H]([NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000052810543 521951165 /nfs/dbraw/zinc/95/11/65/521951165.db2.gz YIRYAOJRYHUULH-HNNXBMFYSA-N 2 1 250.386 2.261 10 0 CEAEMP COCC[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000052810543 521951173 /nfs/dbraw/zinc/95/11/73/521951173.db2.gz YIRYAOJRYHUULH-HNNXBMFYSA-N 2 1 250.386 2.261 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517758 522093960 /nfs/dbraw/zinc/09/39/60/522093960.db2.gz DNCVMDNBJBTHCN-OWCLPIDISA-N 2 1 266.429 2.408 10 0 CEAEMP C[NH2+]Cc1nc(C[N@H+](CC(C)C)C2CC2)cs1 ZINC000052515513 522150765 /nfs/dbraw/zinc/15/07/65/522150765.db2.gz POSRWJCMGOLZEF-UHFFFAOYSA-N 2 1 253.415 2.483 10 0 CEAEMP C[NH2+]Cc1nc(C[N@@H+](CC(C)C)C2CC2)cs1 ZINC000052515513 522150770 /nfs/dbraw/zinc/15/07/70/522150770.db2.gz POSRWJCMGOLZEF-UHFFFAOYSA-N 2 1 253.415 2.483 10 0 CEAEMP CC[C@H](C[NH2+]C(C)(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515237 522189916 /nfs/dbraw/zinc/18/99/16/522189916.db2.gz MCBCJWORNOOYSZ-OAHLLOKOSA-N 3 1 269.477 2.427 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1ccoc1C[NH2+]C(C)C ZINC000052511570 522220624 /nfs/dbraw/zinc/22/06/24/522220624.db2.gz WEVJOIAHGLOITN-GFCCVEGCSA-N 2 1 254.374 2.244 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1C[C@H]1CC[N@H+](C)C1 ZINC000052853038 522487366 /nfs/dbraw/zinc/48/73/66/522487366.db2.gz XMDXTKKUIXMOME-NSHDSACASA-N 2 1 258.369 2.133 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1C[C@H]1CC[N@@H+](C)C1 ZINC000052853038 522487376 /nfs/dbraw/zinc/48/73/76/522487376.db2.gz XMDXTKKUIXMOME-NSHDSACASA-N 2 1 258.369 2.133 10 0 CEAEMP C[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CCCC1 ZINC000052181350 522591326 /nfs/dbraw/zinc/59/13/26/522591326.db2.gz CASVIPXLIOFQSV-UHFFFAOYSA-N 2 1 266.429 2.410 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1occc1C[NH2+]CC(C)C ZINC000052511457 522595332 /nfs/dbraw/zinc/59/53/32/522595332.db2.gz UERIWHQLSIPCSE-ZDUSSCGKSA-N 2 1 268.401 2.492 10 0 CEAEMP C[N@H+](CCC[NH2+]C[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000068879273 522774002 /nfs/dbraw/zinc/77/40/02/522774002.db2.gz XFJZGVVDGGWXJZ-GFCCVEGCSA-N 2 1 282.350 2.154 10 0 CEAEMP C[N@@H+](CCC[NH2+]C[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000068879273 522774008 /nfs/dbraw/zinc/77/40/08/522774008.db2.gz XFJZGVVDGGWXJZ-GFCCVEGCSA-N 2 1 282.350 2.154 10 0 CEAEMP CC[C@@H]1CCC[N@H+](Cc2csc(C[NH2+]C)n2)C1 ZINC000052479577 523252490 /nfs/dbraw/zinc/25/24/90/523252490.db2.gz GKYZWMWYZGVPJE-LLVKDONJSA-N 2 1 253.415 2.485 10 0 CEAEMP CC[C@@H]1CCC[N@@H+](Cc2csc(C[NH2+]C)n2)C1 ZINC000052479577 523252497 /nfs/dbraw/zinc/25/24/97/523252497.db2.gz GKYZWMWYZGVPJE-LLVKDONJSA-N 2 1 253.415 2.485 10 0 CEAEMP CN1CCC([N@H+](C)[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015139 523624928 /nfs/dbraw/zinc/62/49/28/523624928.db2.gz WBOKBKRPCQMEHZ-INIZCTEOSA-N 2 1 261.413 2.103 10 0 CEAEMP CN1CCC([N@@H+](C)[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015139 523624940 /nfs/dbraw/zinc/62/49/40/523624940.db2.gz WBOKBKRPCQMEHZ-INIZCTEOSA-N 2 1 261.413 2.103 10 0 CEAEMP COCC[NH+](CCOC)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052571401 523719237 /nfs/dbraw/zinc/71/92/37/523719237.db2.gz IXKLPCZHADODDG-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP COCC[N@@H+](C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+])C1CC1 ZINC000054560267 523732145 /nfs/dbraw/zinc/73/21/45/523732145.db2.gz HZTCORGSGQNYER-DZKIICNBSA-N 2 1 268.445 2.497 10 0 CEAEMP COCC[N@@H+](Cc1cc(C)c(C[NH3+])o1)[C@@H](C)C1CC1 ZINC000052545385 523740994 /nfs/dbraw/zinc/74/09/94/523740994.db2.gz QBADOKMQNQPCBI-LBPRGKRZSA-N 2 1 266.385 2.294 10 0 CEAEMP C[N@H+]1CCCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC1 ZINC000069374305 523808604 /nfs/dbraw/zinc/80/86/04/523808604.db2.gz FQDPMXOHSVBDOX-UHFFFAOYSA-N 2 1 293.377 2.074 10 0 CEAEMP C[N@H+]1CCCN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC1 ZINC000052424290 523808953 /nfs/dbraw/zinc/80/89/53/523808953.db2.gz ZDRAOMZMUBRSJW-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[NH+]1Cc2ccccc2C1 ZINC000050912338 523816286 /nfs/dbraw/zinc/81/62/86/523816286.db2.gz JZKZQWYDAGPBLG-INIZCTEOSA-N 2 1 276.380 2.063 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOCCCCC[NH2+]C1CC1 ZINC000052673580 523822179 /nfs/dbraw/zinc/82/21/79/523822179.db2.gz WTFGSOOGNJEMKC-OAHLLOKOSA-N 2 1 254.418 2.410 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052382664 524992975 /nfs/dbraw/zinc/99/29/75/524992975.db2.gz IVTLDNRIBRFCKF-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052382664 524992988 /nfs/dbraw/zinc/99/29/88/524992988.db2.gz IVTLDNRIBRFCKF-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP Cc1cc(N)c[nH+]c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062052248 525040025 /nfs/dbraw/zinc/04/00/25/525040025.db2.gz QUHDDJZRWLNPHU-UHFFFAOYSA-N 2 1 274.412 2.284 10 0 CEAEMP COc1ccc([C@@H]([NH3+])[C@H](C)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000053244925 525191836 /nfs/dbraw/zinc/19/18/36/525191836.db2.gz GLVLOLRLXYTBPV-LXZKKBNFSA-N 2 1 291.439 2.110 10 0 CEAEMP C[C@@](CCCC[N@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000069516645 525739924 /nfs/dbraw/zinc/73/99/24/525739924.db2.gz CYNWIVSPTMSWBE-KRWDZBQOSA-N 2 1 295.471 2.275 10 0 CEAEMP C[C@H](c1cccs1)[N@@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052182439 526154217 /nfs/dbraw/zinc/15/42/17/526154217.db2.gz QAYAEYDULQHLQH-GFCCVEGCSA-N 2 1 268.426 2.496 10 0 CEAEMP Cc1oc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1C[NH3+] ZINC000052573112 526770770 /nfs/dbraw/zinc/77/07/70/526770770.db2.gz NLYNRUUFKMTBMV-GJZGRUSLSA-N 2 1 264.369 2.190 10 0 CEAEMP Cc1oc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1C[NH3+] ZINC000052573112 526770772 /nfs/dbraw/zinc/77/07/72/526770772.db2.gz NLYNRUUFKMTBMV-GJZGRUSLSA-N 2 1 264.369 2.190 10 0 CEAEMP NC(=[NH2+])C[C@H](c1ccccc1)[N@H+]1CCCSCC1 ZINC000055023203 526817521 /nfs/dbraw/zinc/81/75/21/526817521.db2.gz GABDYJDQRJAFFD-CYBMUJFWSA-N 2 1 263.410 2.493 10 0 CEAEMP Cc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)sc1[C@@H](C)[NH3+] ZINC000054896315 526952228 /nfs/dbraw/zinc/95/22/28/526952228.db2.gz JVLBYUQEYFTRMV-MWLCHTKSSA-N 2 1 268.430 2.002 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052182058 527163193 /nfs/dbraw/zinc/16/31/93/527163193.db2.gz WZPUXGSETODDDY-INIZCTEOSA-N 2 1 274.408 2.231 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000052182056 527163463 /nfs/dbraw/zinc/16/34/63/527163463.db2.gz WZPUXGSETODDDY-MRXNPFEDSA-N 2 1 274.408 2.231 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CCC[C@H]2CCCO)CCCCC1 ZINC000052763362 527164131 /nfs/dbraw/zinc/16/41/31/527164131.db2.gz NZTZCRMLASWKPS-AWEZNQCLSA-N 2 1 254.418 2.133 10 0 CEAEMP [NH3+]Cc1occc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418210 527268301 /nfs/dbraw/zinc/26/83/01/527268301.db2.gz NBLXXYCPCVPRTN-UHFFFAOYSA-N 2 1 289.354 2.200 10 0 CEAEMP NNc1[nH+]cccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052718688 527288407 /nfs/dbraw/zinc/28/84/07/527288407.db2.gz LSBKQLNSWSWEIX-AWEZNQCLSA-N 2 1 268.364 2.357 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052576197 527449303 /nfs/dbraw/zinc/44/93/03/527449303.db2.gz XUGAFPVISGMWQJ-CHWSQXEVSA-N 2 1 251.374 2.127 10 0 CEAEMP CC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309930646 628165028 /nfs/dbraw/zinc/16/50/28/628165028.db2.gz VVVAGVNQLOJLNC-ZJPYXAASSA-N 2 1 288.435 2.258 10 0 CEAEMP CC1(C)CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398953703 628766596 /nfs/dbraw/zinc/76/65/96/628766596.db2.gz AQZFYFHFPNKUHV-AWEZNQCLSA-N 2 1 254.418 2.002 10 0 CEAEMP CN(C)c1nc(NCC[NH2+]C2CCCCCC2)cc[nH+]1 ZINC000133541660 652648747 /nfs/dbraw/zinc/64/87/47/652648747.db2.gz AGPYGAYCDXOWGA-UHFFFAOYSA-N 2 1 277.416 2.267 10 0 CEAEMP CCOC[C@H](C)n1c[nH+]cc1C1(C)CC[NH2+]CC1 ZINC000097019307 185153168 /nfs/dbraw/zinc/15/31/68/185153168.db2.gz UOFUMGAZOSDXDL-LBPRGKRZSA-N 2 1 251.374 2.122 10 0 CEAEMP C[NH+](C)CCn1c2ccccc2c2c1CC[N@@H+](C)C2 ZINC000003600656 343352644 /nfs/dbraw/zinc/35/26/44/343352644.db2.gz RIYIVPIUBSNDGF-UHFFFAOYSA-N 2 1 257.381 2.191 10 0 CEAEMP C[NH+](C)CCn1c2ccccc2c2c1CC[N@H+](C)C2 ZINC000003600656 343352645 /nfs/dbraw/zinc/35/26/45/343352645.db2.gz RIYIVPIUBSNDGF-UHFFFAOYSA-N 2 1 257.381 2.191 10 0 CEAEMP C[C@@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000306571322 344714410 /nfs/dbraw/zinc/71/44/10/344714410.db2.gz FXJGVDUICZTVFH-KYHPRHEASA-N 2 1 287.451 2.332 10 0 CEAEMP [NH3+]Cc1cc(Br)ccc1C[NH+]1CCC1 ZINC000306702863 344716640 /nfs/dbraw/zinc/71/66/40/344716640.db2.gz HYPAKNOMQGLHFI-UHFFFAOYSA-N 2 1 255.159 2.114 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]12 ZINC000381839656 344825196 /nfs/dbraw/zinc/82/51/96/344825196.db2.gz JSQVPIKDTDGGRV-DAXOMENPSA-N 2 1 267.376 2.404 10 0 CEAEMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301822 179010666 /nfs/dbraw/zinc/01/06/66/179010666.db2.gz MHIVMMBNZBKVID-BBRMVZONSA-N 2 1 268.445 2.234 10 0 CEAEMP CC(C)(C)NC(=O)C[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403819 179053239 /nfs/dbraw/zinc/05/32/39/179053239.db2.gz RHTVLDDARLUPCA-HNNXBMFYSA-N 2 1 295.471 2.145 10 0 CEAEMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000085398044 179050266 /nfs/dbraw/zinc/05/02/66/179050266.db2.gz ZVTDNDFXTFWFCM-MJBXVCDLSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)[C@@H](C)CC[NH2+]1 ZINC000085618239 179103898 /nfs/dbraw/zinc/10/38/98/179103898.db2.gz PWPQWOCMGKYIGU-SOUVJXGZSA-N 2 1 254.418 2.264 10 0 CEAEMP C([C@@H]1CCCO1)[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615147 179104513 /nfs/dbraw/zinc/10/45/13/179104513.db2.gz RKCCQPYBAHILQR-HOTGVXAUSA-N 2 1 266.429 2.410 10 0 CEAEMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085675775 179112298 /nfs/dbraw/zinc/11/22/98/179112298.db2.gz VGYKFAKHERRGLH-XQLPTFJDSA-N 2 1 266.429 2.121 10 0 CEAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C12CCCC2 ZINC000085679940 179113145 /nfs/dbraw/zinc/11/31/45/179113145.db2.gz IHHQJRGRZPFNTB-RRFJBIMHSA-N 2 1 266.429 2.266 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085636420 179109064 /nfs/dbraw/zinc/10/90/64/179109064.db2.gz RQVHFSGPDBXBLP-BARDWOONSA-N 2 1 266.429 2.120 10 0 CEAEMP CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086173679 179245007 /nfs/dbraw/zinc/24/50/07/179245007.db2.gz OQJFGPMQNNCZFT-IAGOWNOFSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CC1CC[NH+](CC)CC1 ZINC000086173679 179245008 /nfs/dbraw/zinc/24/50/08/179245008.db2.gz OQJFGPMQNNCZFT-IAGOWNOFSA-N 2 1 281.488 2.427 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000086145843 179239229 /nfs/dbraw/zinc/23/92/29/179239229.db2.gz ASCQKZYBJUHQSK-SJORKVTESA-N 2 1 273.424 2.117 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223170 179251413 /nfs/dbraw/zinc/25/14/13/179251413.db2.gz HZQHXSJMIQOMLJ-ZACQAIPSSA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223172 179252427 /nfs/dbraw/zinc/25/24/27/179252427.db2.gz JLGOWXVRPQLKJI-BZUAXINKSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@]1(C)CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223931 179253185 /nfs/dbraw/zinc/25/31/85/179253185.db2.gz PDLDUTANPPSWFT-PMPSAXMXSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259629 179259135 /nfs/dbraw/zinc/25/91/35/179259135.db2.gz GMIXWBXCYXNFQK-FVQBIDKESA-N 2 1 265.445 2.076 10 0 CEAEMP C[N@H+]1CCC[C@H](N2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288942 179264135 /nfs/dbraw/zinc/26/41/35/179264135.db2.gz XJXCSLWXIISUNK-IRXDYDNUSA-N 2 1 273.424 2.117 10 0 CEAEMP CC[C@H](C)[C@@H]1CN([C@@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086289412 179264158 /nfs/dbraw/zinc/26/41/58/179264158.db2.gz JZKGDSOYSJTQFV-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[N@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287247 179264236 /nfs/dbraw/zinc/26/42/36/179264236.db2.gz ZQWGASQIWQKSMT-HNNXBMFYSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@H]1C[N@@H+](CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287247 179264237 /nfs/dbraw/zinc/26/42/37/179264237.db2.gz ZQWGASQIWQKSMT-HNNXBMFYSA-N 2 1 250.361 2.442 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288751 179264509 /nfs/dbraw/zinc/26/45/09/179264509.db2.gz NZLZNLGVNODNNV-ZBFHGGJFSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291379 179265365 /nfs/dbraw/zinc/26/53/65/179265365.db2.gz GPZOAFLJEJZJTM-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP C[N@H+]1CCC[C@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291553 179266018 /nfs/dbraw/zinc/26/60/18/179266018.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 2 1 279.472 2.326 10 0 CEAEMP CCC1(CC)CN(C[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000086291731 179266428 /nfs/dbraw/zinc/26/64/28/179266428.db2.gz SCLJCMJCELPXNU-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@@]1(C)C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297916 179269214 /nfs/dbraw/zinc/26/92/14/179269214.db2.gz ZJPQAAURTYYOQI-ZDUSSCGKSA-N 2 1 253.415 2.150 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297916 179269215 /nfs/dbraw/zinc/26/92/15/179269215.db2.gz ZJPQAAURTYYOQI-ZDUSSCGKSA-N 2 1 253.415 2.150 10 0 CEAEMP COC[C@@H](C(C)C)[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000086701772 179321684 /nfs/dbraw/zinc/32/16/84/179321684.db2.gz RHRHDZJINWUPLW-GJZGRUSLSA-N 2 1 256.434 2.225 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835835 179349263 /nfs/dbraw/zinc/34/92/63/179349263.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000086835835 179349265 /nfs/dbraw/zinc/34/92/65/179349265.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000086835835 179349267 /nfs/dbraw/zinc/34/92/67/179349267.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2CC)CC1 ZINC000086835835 179349270 /nfs/dbraw/zinc/34/92/70/179349270.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2CC)CC1 ZINC000086835835 179349272 /nfs/dbraw/zinc/34/92/72/179349272.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH+](C)Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817297 179345106 /nfs/dbraw/zinc/34/51/06/179345106.db2.gz IOBOMMMEDQPXNX-KRWDZBQOSA-N 3 1 275.440 2.322 10 0 CEAEMP C[NH+](C)Cc1ccccc1CN[C@H]1CCC[N@H+](C)CC1 ZINC000086817297 179345108 /nfs/dbraw/zinc/34/51/08/179345108.db2.gz IOBOMMMEDQPXNX-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP C[NH+](C)Cc1ccccc1CN[C@H]1CCC[N@@H+](C)CC1 ZINC000086817297 179345110 /nfs/dbraw/zinc/34/51/10/179345110.db2.gz IOBOMMMEDQPXNX-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CCC(CC)[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817435 179345204 /nfs/dbraw/zinc/34/52/04/179345204.db2.gz AAABTIGNWLUIFL-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2CC)CC1 ZINC000086847389 179356722 /nfs/dbraw/zinc/35/67/22/179356722.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+]2CCC[C@@H]2CC)CC1 ZINC000086847389 179356723 /nfs/dbraw/zinc/35/67/23/179356723.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CN)([NH+]2CCC[C@@H]2CC)CC1 ZINC000086847389 179356725 /nfs/dbraw/zinc/35/67/25/179356725.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+]2CCC[C@@H]2CC)CC1 ZINC000086847389 179356727 /nfs/dbraw/zinc/35/67/27/179356727.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@H+]2CCC[C@@H]2CC)CC1 ZINC000086847389 179356729 /nfs/dbraw/zinc/35/67/29/179356729.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 2 1 267.461 2.454 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842808 179353263 /nfs/dbraw/zinc/35/32/63/179353263.db2.gz NDOMMMGITFXIQI-JKSUJKDBSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842808 179353264 /nfs/dbraw/zinc/35/32/64/179353264.db2.gz NDOMMMGITFXIQI-JKSUJKDBSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842808 179353266 /nfs/dbraw/zinc/35/32/66/179353266.db2.gz NDOMMMGITFXIQI-JKSUJKDBSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842890 179353559 /nfs/dbraw/zinc/35/35/59/179353559.db2.gz RSXBFVPUYUKWRK-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@@H+]1CCC[C@@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842890 179353560 /nfs/dbraw/zinc/35/35/60/179353560.db2.gz RSXBFVPUYUKWRK-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842890 179353561 /nfs/dbraw/zinc/35/35/61/179353561.db2.gz RSXBFVPUYUKWRK-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccc2)CC1 ZINC000086846530 179354986 /nfs/dbraw/zinc/35/49/86/179354986.db2.gz IXPGVFNZQMGBFS-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)CC)CC1 ZINC000086846847 179355019 /nfs/dbraw/zinc/35/50/19/179355019.db2.gz WHZJNOQTNCCNHA-GJZGRUSLSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846738 179355528 /nfs/dbraw/zinc/35/55/28/179355528.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846738 179355529 /nfs/dbraw/zinc/35/55/29/179355529.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846738 179355530 /nfs/dbraw/zinc/35/55/30/179355530.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846738 179355532 /nfs/dbraw/zinc/35/55/32/179355532.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846738 179355533 /nfs/dbraw/zinc/35/55/33/179355533.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846187 179355677 /nfs/dbraw/zinc/35/56/77/179355677.db2.gz OPJDMAAKSSQRCG-GJZGRUSLSA-N 2 1 253.434 2.064 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCSC[C@@H]2C)CC1 ZINC000086848873 179358227 /nfs/dbraw/zinc/35/82/27/179358227.db2.gz WLHBJPDPMIYHNF-LSDHHAIUSA-N 2 1 285.501 2.016 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)C(C)(C)CC)CC1 ZINC000086848846 179358604 /nfs/dbraw/zinc/35/86/04/179358604.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](C)C(C)(C)CC)CC1 ZINC000086848846 179358605 /nfs/dbraw/zinc/35/86/05/179358605.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](C)C(C)(C)CC)CC1 ZINC000086848846 179358607 /nfs/dbraw/zinc/35/86/07/179358607.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+](C)C(C)(C)CC)CC1 ZINC000086848846 179358610 /nfs/dbraw/zinc/35/86/10/179358610.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](C)C(C)(C)CC)CC1 ZINC000086848846 179358612 /nfs/dbraw/zinc/35/86/12/179358612.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851145 179359093 /nfs/dbraw/zinc/35/90/93/179359093.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851145 179359095 /nfs/dbraw/zinc/35/90/95/179359095.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 3 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851145 179359096 /nfs/dbraw/zinc/35/90/96/179359096.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 3 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851145 179359097 /nfs/dbraw/zinc/35/90/97/179359097.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 3 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851145 179359098 /nfs/dbraw/zinc/35/90/98/179359098.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 3 1 253.434 2.064 10 0 CEAEMP CC[N@H+](Cc1cccs1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875224 179365504 /nfs/dbraw/zinc/36/55/04/179365504.db2.gz AJNVFGCCTJOCBD-CQSZACIVSA-N 2 1 268.426 2.468 10 0 CEAEMP CC[N@@H+](Cc1cccs1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875224 179365505 /nfs/dbraw/zinc/36/55/05/179365505.db2.gz AJNVFGCCTJOCBD-CQSZACIVSA-N 2 1 268.426 2.468 10 0 CEAEMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000087017733 179380786 /nfs/dbraw/zinc/38/07/86/179380786.db2.gz QZHDRGFSMYZDEL-KGLIPLIRSA-N 2 1 254.418 2.002 10 0 CEAEMP CC[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994891 179376226 /nfs/dbraw/zinc/37/62/26/179376226.db2.gz LMZNHDJRNZBURM-RISCZKNCSA-N 2 1 252.333 2.176 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994891 179376229 /nfs/dbraw/zinc/37/62/29/179376229.db2.gz LMZNHDJRNZBURM-RISCZKNCSA-N 2 1 252.333 2.176 10 0 CEAEMP CC[NH2+]C[C@@]1(C[NH+]2CCC(C(F)(F)F)CC2)CCOC1 ZINC000088436761 179601451 /nfs/dbraw/zinc/60/14/51/179601451.db2.gz WBNAMZGKLFEXLR-CYBMUJFWSA-N 2 1 294.361 2.277 10 0 CEAEMP C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400440245 233178394 /nfs/dbraw/zinc/17/83/94/233178394.db2.gz MFCTZYWUHDVTRK-RHSMWYFYSA-N 2 1 284.407 2.019 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355391 233176285 /nfs/dbraw/zinc/17/62/85/233176285.db2.gz OGJSLGPHCNVXEP-BURFUSLBSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355391 233176287 /nfs/dbraw/zinc/17/62/87/233176287.db2.gz OGJSLGPHCNVXEP-BURFUSLBSA-N 2 1 287.451 2.237 10 0 CEAEMP COCc1cc(C[NH+]2CCC(C[NH2+]C(C)(C)C)CC2)no1 ZINC000090255651 179940969 /nfs/dbraw/zinc/94/09/69/179940969.db2.gz ROURWWQAOOXNKY-UHFFFAOYSA-N 2 1 295.427 2.421 10 0 CEAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090894308 180056376 /nfs/dbraw/zinc/05/63/76/180056376.db2.gz LKQDEWNTZYQEKU-DOMZBBRYSA-N 2 1 278.371 2.190 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907915 180062025 /nfs/dbraw/zinc/06/20/25/180062025.db2.gz FJAOKDBVDOJLCW-IYBDPMFKSA-N 2 1 260.381 2.159 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907915 180062026 /nfs/dbraw/zinc/06/20/26/180062026.db2.gz FJAOKDBVDOJLCW-IYBDPMFKSA-N 2 1 260.381 2.159 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2ccc(CC[NH3+])c2)c1C ZINC000091004797 180083742 /nfs/dbraw/zinc/08/37/42/180083742.db2.gz UAHLURMSAJGYPT-UHFFFAOYSA-N 2 1 259.353 2.058 10 0 CEAEMP CC(C)n1cncc1C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091273111 180118036 /nfs/dbraw/zinc/11/80/36/180118036.db2.gz VORILYVSFNPKQI-TZMCWYRMSA-N 2 1 250.390 2.023 10 0 CEAEMP CC(C)n1cncc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091273111 180118037 /nfs/dbraw/zinc/11/80/37/180118037.db2.gz VORILYVSFNPKQI-TZMCWYRMSA-N 2 1 250.390 2.023 10 0 CEAEMP CC[N@H+]1CCCC[C@@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275497 180118864 /nfs/dbraw/zinc/11/88/64/180118864.db2.gz CONOKKMHLFTANR-SWLSCSKDSA-N 2 1 262.401 2.340 10 0 CEAEMP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)CC2CC(O)C2)C1 ZINC000091459762 180160637 /nfs/dbraw/zinc/16/06/37/180160637.db2.gz JFESIEKAFORONL-WEIUDFCLSA-N 2 1 268.445 2.233 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091489422 180169283 /nfs/dbraw/zinc/16/92/83/180169283.db2.gz ANYGYRIZINNXOM-WEIUDFCLSA-N 2 1 268.445 2.103 10 0 CEAEMP CCC[NH2+]C[C@@](C)(CC)C[N@@H+](C)CC1CC(O)C1 ZINC000091490738 180169850 /nfs/dbraw/zinc/16/98/50/180169850.db2.gz ZFFOQCHWUBQDJM-YMAMQOFZSA-N 2 1 256.434 2.105 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091394708 180146450 /nfs/dbraw/zinc/14/64/50/180146450.db2.gz ZOHKMOUUSGKBSN-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@H](C)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091394708 180146452 /nfs/dbraw/zinc/14/64/52/180146452.db2.gz ZOHKMOUUSGKBSN-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCOC)[C@@H](C)COC ZINC000091404227 180146912 /nfs/dbraw/zinc/14/69/12/180146912.db2.gz CXTTZYPDBGJDKW-GJZGRUSLSA-N 2 1 288.476 2.384 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCO)C(CC)CC ZINC000091404079 180147605 /nfs/dbraw/zinc/14/76/05/180147605.db2.gz QIVYTNDVRDZHQX-ZDUSSCGKSA-N 2 1 258.450 2.494 10 0 CEAEMP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCCC1 ZINC000091565233 180193378 /nfs/dbraw/zinc/19/33/78/180193378.db2.gz OHXCRNRDFANMAW-MRXNPFEDSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)N(C)C ZINC000091571796 180196417 /nfs/dbraw/zinc/19/64/17/180196417.db2.gz HXEBXYUBJYJXQB-JKSUJKDBSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1ccc[nH+]c1N ZINC000091573222 180196580 /nfs/dbraw/zinc/19/65/80/180196580.db2.gz CNDKRFHGYHGBOX-ZFWWWQNUSA-N 2 1 265.401 2.078 10 0 CEAEMP CCN(CC)[C@@](C)(CC)[C@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000091599128 180202732 /nfs/dbraw/zinc/20/27/32/180202732.db2.gz ATAHKMMZECLDBV-HOCLYGCPSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1cc[nH+]c(N)c1 ZINC000091615816 180207673 /nfs/dbraw/zinc/20/76/73/180207673.db2.gz UJPDVGNRAPUKEK-AWEZNQCLSA-N 2 1 278.444 2.434 10 0 CEAEMP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(CC)(CC)N(C)C ZINC000091614681 180208042 /nfs/dbraw/zinc/20/80/42/180208042.db2.gz ZXJAXDWOWKQWGG-HNNXBMFYSA-N 2 1 278.444 2.305 10 0 CEAEMP CCc1nn(CC)c(C[C@H]([NH3+])C(C)(C)[NH+](C)C)c1Cl ZINC000091528507 180180481 /nfs/dbraw/zinc/18/04/81/180180481.db2.gz MUTIVDPBUQXNBV-LBPRGKRZSA-N 2 1 286.851 2.329 10 0 CEAEMP C[NH2+][C@H](Cc1cccc(OC)c1)C(C)(C)[NH+](C)C ZINC000091528778 180180757 /nfs/dbraw/zinc/18/07/57/180180757.db2.gz ZJJHRZCXXBZOPH-CQSZACIVSA-N 2 1 250.386 2.166 10 0 CEAEMP CC(C)n1ccc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)n1 ZINC000091534144 180181637 /nfs/dbraw/zinc/18/16/37/180181637.db2.gz WPGRXIPIKYBJCS-CQSZACIVSA-N 2 1 264.417 2.208 10 0 CEAEMP CCC(CC)([C@H](O)c1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634666 180210789 /nfs/dbraw/zinc/21/07/89/180210789.db2.gz UHRSTCKVTZUGFG-CQSZACIVSA-N 2 1 263.385 2.352 10 0 CEAEMP CCn1cc(C[C@@H]([NH3+])C(CC)(CC)[NH+]2CCCC2)cn1 ZINC000091634802 180211368 /nfs/dbraw/zinc/21/13/68/180211368.db2.gz DVTAIMAFFLFMGG-OAHLLOKOSA-N 2 1 278.444 2.427 10 0 CEAEMP CCc1ccc(C[C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091720719 180236336 /nfs/dbraw/zinc/23/63/36/180236336.db2.gz NZWMZQIWOUTJAX-BYCMXARLSA-N 2 1 280.437 2.044 10 0 CEAEMP CCc1ccc(C[C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091720719 180236339 /nfs/dbraw/zinc/23/63/39/180236339.db2.gz NZWMZQIWOUTJAX-BYCMXARLSA-N 2 1 280.437 2.044 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(C)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721665 180237875 /nfs/dbraw/zinc/23/78/75/180237875.db2.gz SDRSOISBAQTORA-KURKYZTESA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](Cc1ccc(C)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721665 180237880 /nfs/dbraw/zinc/23/78/80/180237880.db2.gz SDRSOISBAQTORA-KURKYZTESA-N 2 1 288.435 2.379 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CN2CCC1CC2 ZINC000091851725 180272980 /nfs/dbraw/zinc/27/29/80/180272980.db2.gz XLAMLTYKYYSTMO-GPANFISMSA-N 2 1 265.445 2.063 10 0 CEAEMP CCC[N@@H+]([C@@H](C)C(=O)N(CC)CC)C1CCC([NH3+])CC1 ZINC000091852534 180273030 /nfs/dbraw/zinc/27/30/30/180273030.db2.gz WFZLKWRAKQCEFR-NFOMZHRRSA-N 2 1 283.460 2.225 10 0 CEAEMP C[N@@H+](CCC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091846329 180270648 /nfs/dbraw/zinc/27/06/48/180270648.db2.gz AFKREXALASOMKI-UHFFFAOYSA-N 2 1 281.444 2.027 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000091870437 180276860 /nfs/dbraw/zinc/27/68/60/180276860.db2.gz IVANZAFJGVSVNJ-YMAMQOFZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922719 180286934 /nfs/dbraw/zinc/28/69/34/180286934.db2.gz APJXZTRVICKPNR-OAHLLOKOSA-N 2 1 254.418 2.131 10 0 CEAEMP CC[C@@H]([NH3+])Cc1ccccc1OC[C@H]1C[N@H+](CC)CCO1 ZINC000092060634 180315219 /nfs/dbraw/zinc/31/52/19/180315219.db2.gz QBPRMWONHCROPC-HZPDHXFCSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@@H]([NH3+])Cc1ccccc1OC[C@H]1C[N@@H+](CC)CCO1 ZINC000092060634 180315221 /nfs/dbraw/zinc/31/52/21/180315221.db2.gz QBPRMWONHCROPC-HZPDHXFCSA-N 2 1 292.423 2.066 10 0 CEAEMP C[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000092003638 180304416 /nfs/dbraw/zinc/30/44/16/180304416.db2.gz ADKDGIVFMWDWDR-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092003638 180304418 /nfs/dbraw/zinc/30/44/18/180304418.db2.gz ADKDGIVFMWDWDR-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092003638 180304420 /nfs/dbraw/zinc/30/44/20/180304420.db2.gz ADKDGIVFMWDWDR-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP CCC[NH2+]Cc1csc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000092005045 180305765 /nfs/dbraw/zinc/30/57/65/180305765.db2.gz ZDAIDTRIIZWPNL-KGLIPLIRSA-N 2 1 294.468 2.316 10 0 CEAEMP CC[N@H+]1CCO[C@@H](Cn2cc(C[NH2+]C)c3ccccc32)C1 ZINC000092060172 180315716 /nfs/dbraw/zinc/31/57/16/180315716.db2.gz NMFOVMPIGFJWJN-OAHLLOKOSA-N 2 1 287.407 2.081 10 0 CEAEMP C[C@H]([NH3+])c1cccc(SC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000092080085 180318947 /nfs/dbraw/zinc/31/89/47/180318947.db2.gz VIYDFLDUBJJZJF-AAEUAGOBSA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@H]([NH3+])c1cccc(SC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000092080085 180318949 /nfs/dbraw/zinc/31/89/49/180318949.db2.gz VIYDFLDUBJJZJF-AAEUAGOBSA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@@H]1C[NH+](CC[NH2+]CCc2cccs2)C[C@H]1C ZINC000092089537 180321206 /nfs/dbraw/zinc/32/12/06/180321206.db2.gz RRCOOTFPYKKNBN-CHWSQXEVSA-N 2 1 252.427 2.468 10 0 CEAEMP C[C@@H]1C[NH+](CC[NH2+]CCc2ccsc2)C[C@H]1C ZINC000092089561 180321676 /nfs/dbraw/zinc/32/16/76/180321676.db2.gz XQLNEJLOGNSTOC-CHWSQXEVSA-N 2 1 252.427 2.468 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000092365852 180368814 /nfs/dbraw/zinc/36/88/14/180368814.db2.gz LXLXYXMTGGNZKY-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccnc2ccccc12 ZINC000092365852 180368816 /nfs/dbraw/zinc/36/88/16/180368816.db2.gz LXLXYXMTGGNZKY-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP CC[N@H+]1CC[C@H](CNC2=[NH+][C@@H](C(C)C)CS2)C1 ZINC000092402267 180377690 /nfs/dbraw/zinc/37/76/90/180377690.db2.gz JZJLSWNHLFXLIE-VXGBXAGGSA-N 2 1 255.431 2.045 10 0 CEAEMP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000092431237 180384116 /nfs/dbraw/zinc/38/41/16/180384116.db2.gz IOUCGOBPPLXJOU-ZBFHGGJFSA-N 2 1 259.397 2.354 10 0 CEAEMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000092431237 180384117 /nfs/dbraw/zinc/38/41/17/180384117.db2.gz IOUCGOBPPLXJOU-ZBFHGGJFSA-N 2 1 259.397 2.354 10 0 CEAEMP C[N@@H+](Cc1cc(Cl)ccn1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000092417350 180380842 /nfs/dbraw/zinc/38/08/42/180380842.db2.gz DNVMTALDCJHNCM-MFKMUULPSA-N 2 1 253.777 2.294 10 0 CEAEMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000107347642 186171072 /nfs/dbraw/zinc/17/10/72/186171072.db2.gz HVPBJHHUCMEGDG-MRXNPFEDSA-N 2 1 297.487 2.489 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000109545513 186261400 /nfs/dbraw/zinc/26/14/00/186261400.db2.gz ZQNMMEZHZWADPC-OAHLLOKOSA-N 2 1 252.402 2.186 10 0 CEAEMP C[C@@H]([NH3+])c1c(F)cccc1N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000109571568 186263855 /nfs/dbraw/zinc/26/38/55/186263855.db2.gz UDEYFNSSLJQUED-NEPJUHHUSA-N 2 1 265.376 2.376 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594780 186265139 /nfs/dbraw/zinc/26/51/39/186265139.db2.gz LDDVTODOITXNLH-CYBMUJFWSA-N 2 1 285.391 2.115 10 0 CEAEMP Cc1cccc([C@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704819 186313758 /nfs/dbraw/zinc/31/37/58/186313758.db2.gz YBNCGJMWYYCVIB-HOCLYGCPSA-N 2 1 275.440 2.409 10 0 CEAEMP CC(C)Oc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000110707730 186313868 /nfs/dbraw/zinc/31/38/68/186313868.db2.gz DJKFWWDJZNWUOQ-YOEHRIQHSA-N 2 1 291.439 2.110 10 0 CEAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704907 186314943 /nfs/dbraw/zinc/31/49/43/186314943.db2.gz WPZXZWVNKPMRGH-GDBMZVCRSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[N@H+]1CCN(C2(C[NH3+])CCCCCC2)C[C@@H]1C ZINC000110709464 186316160 /nfs/dbraw/zinc/31/61/60/186316160.db2.gz LRVWHNYIRQJRRF-AWEZNQCLSA-N 2 1 253.434 2.064 10 0 CEAEMP COc1ccc(C)cc1[C@@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716392 186316456 /nfs/dbraw/zinc/31/64/56/186316456.db2.gz GFIHNCOTJBSSSM-HNNXBMFYSA-N 2 1 291.439 2.029 10 0 CEAEMP COc1ccc([C@@H]([NH3+])[C@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716416 186316504 /nfs/dbraw/zinc/31/65/04/186316504.db2.gz PYIZHRHZGNQCAF-BBRMVZONSA-N 2 1 291.439 2.110 10 0 CEAEMP CCc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110712158 186316768 /nfs/dbraw/zinc/31/67/68/186316768.db2.gz ZLSVEINZCXKXMK-MRXNPFEDSA-N 2 1 275.440 2.275 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110751072 186322088 /nfs/dbraw/zinc/32/20/88/186322088.db2.gz BOLPNUCQPKGUOZ-LBPRGKRZSA-N 2 1 273.380 2.027 10 0 CEAEMP C[C@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@@H+]1C ZINC000110751072 186322090 /nfs/dbraw/zinc/32/20/90/186322090.db2.gz BOLPNUCQPKGUOZ-LBPRGKRZSA-N 2 1 273.380 2.027 10 0 CEAEMP C[C@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@H+]1C ZINC000110751072 186322092 /nfs/dbraw/zinc/32/20/92/186322092.db2.gz BOLPNUCQPKGUOZ-LBPRGKRZSA-N 2 1 273.380 2.027 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000111123050 186355383 /nfs/dbraw/zinc/35/53/83/186355383.db2.gz AIEDKHWIKAFCMU-MRXNPFEDSA-N 2 1 264.413 2.261 10 0 CEAEMP COc1ccc([C@@H](O)[C@@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143729 186358810 /nfs/dbraw/zinc/35/88/10/186358810.db2.gz QBRRSUIENLADNQ-CJNGLKHVSA-N 2 1 280.412 2.001 10 0 CEAEMP COc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143729 186358812 /nfs/dbraw/zinc/35/88/12/186358812.db2.gz QBRRSUIENLADNQ-CJNGLKHVSA-N 2 1 280.412 2.001 10 0 CEAEMP CC(C)C[NH2+]C[C@@]1(C[N@@H+](C)CC2CC2)CCCOC1 ZINC000111326072 186398619 /nfs/dbraw/zinc/39/86/19/186398619.db2.gz JOJZOJUESQFREF-MRXNPFEDSA-N 2 1 268.445 2.371 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000111328939 186399958 /nfs/dbraw/zinc/39/99/58/186399958.db2.gz JNXVOMHDJYNLSD-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP COc1c(C)c[nH+]c(CN(C)[C@H]2CCC[NH2+]CC2)c1C ZINC000231669122 540179946 /nfs/dbraw/zinc/17/99/46/540179946.db2.gz OMPZZDAUSBBNOD-AWEZNQCLSA-N 2 1 277.412 2.281 10 0 CEAEMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151338148 366640032 /nfs/dbraw/zinc/64/00/32/366640032.db2.gz SFYGSMQDYYJRFN-DOTOQJQBSA-N 2 1 276.424 2.492 10 0 CEAEMP COC(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000117337862 365103560 /nfs/dbraw/zinc/10/35/60/365103560.db2.gz VVGIDPLBEZZZAY-AWEZNQCLSA-N 2 1 291.395 2.077 10 0 CEAEMP COC(=O)CCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000117337862 365103563 /nfs/dbraw/zinc/10/35/63/365103563.db2.gz VVGIDPLBEZZZAY-AWEZNQCLSA-N 2 1 291.395 2.077 10 0 CEAEMP CCC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000336054997 365347282 /nfs/dbraw/zinc/34/72/82/365347282.db2.gz VZUORORFHSDFGA-KGLIPLIRSA-N 2 1 252.402 2.020 10 0 CEAEMP CCC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000336054997 365347289 /nfs/dbraw/zinc/34/72/89/365347289.db2.gz VZUORORFHSDFGA-KGLIPLIRSA-N 2 1 252.402 2.020 10 0 CEAEMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000275618302 193087421 /nfs/dbraw/zinc/08/74/21/193087421.db2.gz RMOMLJCMBQYOGL-CYBMUJFWSA-N 2 1 287.411 2.187 10 0 CEAEMP C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000583622092 367073376 /nfs/dbraw/zinc/07/33/76/367073376.db2.gz LDFFPGRKPHMCHM-AWEZNQCLSA-N 2 1 295.390 2.454 10 0 CEAEMP C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000583622092 367073382 /nfs/dbraw/zinc/07/33/82/367073382.db2.gz LDFFPGRKPHMCHM-AWEZNQCLSA-N 2 1 295.390 2.454 10 0 CEAEMP Cc1ccc(C)c(OCC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842901 367582591 /nfs/dbraw/zinc/58/25/91/367582591.db2.gz HEUCPXNIENTIGG-GJZGRUSLSA-N 2 1 262.397 2.209 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]12 ZINC000261601254 371672547 /nfs/dbraw/zinc/67/25/47/371672547.db2.gz BSCSHSJNURZPPY-HYVNUMGLSA-N 2 1 282.391 2.041 10 0 CEAEMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000261607352 371675012 /nfs/dbraw/zinc/67/50/12/371675012.db2.gz DCKGPSZENLFASX-AEGPPILISA-N 2 1 290.407 2.181 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3)C[C@H]12 ZINC000261556386 371646060 /nfs/dbraw/zinc/64/60/60/371646060.db2.gz BZTHVLUXVRWRGO-DDTOSNHZSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]12 ZINC000261556386 371646065 /nfs/dbraw/zinc/64/60/65/371646065.db2.gz BZTHVLUXVRWRGO-DDTOSNHZSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]12 ZINC000261584434 371663356 /nfs/dbraw/zinc/66/33/56/371663356.db2.gz SFORLBIIKMLYOC-COPLHBTASA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]12 ZINC000261584434 371663363 /nfs/dbraw/zinc/66/33/63/371663363.db2.gz SFORLBIIKMLYOC-COPLHBTASA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]12 ZINC000261721540 371710857 /nfs/dbraw/zinc/71/08/57/371710857.db2.gz KFYMQUMKPGFUSL-FVQBIDKESA-N 2 1 267.376 2.404 10 0 CEAEMP CCn1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC000261739978 371715726 /nfs/dbraw/zinc/71/57/26/371715726.db2.gz SBSVDLLNEFWAIU-AEGPPILISA-N 2 1 284.407 2.225 10 0 CEAEMP CCn1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC000261739978 371715732 /nfs/dbraw/zinc/71/57/32/371715732.db2.gz SBSVDLLNEFWAIU-AEGPPILISA-N 2 1 284.407 2.225 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000261792277 371734440 /nfs/dbraw/zinc/73/44/40/371734440.db2.gz GHFVTQIKRMWCOM-YDHLFZDLSA-N 2 1 278.371 2.394 10 0 CEAEMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261640516 371687597 /nfs/dbraw/zinc/68/75/97/371687597.db2.gz AGMAXEKCMVYKTL-TZMCWYRMSA-N 2 1 290.411 2.126 10 0 CEAEMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261640516 371687602 /nfs/dbraw/zinc/68/76/02/371687602.db2.gz AGMAXEKCMVYKTL-TZMCWYRMSA-N 2 1 290.411 2.126 10 0 CEAEMP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261848440 371749549 /nfs/dbraw/zinc/74/95/49/371749549.db2.gz AYZQXTKDRIRKKA-BZUAXINKSA-N 2 1 278.371 2.072 10 0 CEAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H](C)C1 ZINC000261927692 371772491 /nfs/dbraw/zinc/77/24/91/371772491.db2.gz LEHHLRIKAVTNIE-ZNMIVQPWSA-N 2 1 254.418 2.123 10 0 CEAEMP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)CC(C)(C)[NH3+] ZINC000261982309 371789767 /nfs/dbraw/zinc/78/97/67/371789767.db2.gz RLNWTGLNZGIEIU-STQMWFEESA-N 2 1 299.459 2.330 10 0 CEAEMP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)CC(C)(C)[NH3+] ZINC000261982309 371789777 /nfs/dbraw/zinc/78/97/77/371789777.db2.gz RLNWTGLNZGIEIU-STQMWFEESA-N 2 1 299.459 2.330 10 0 CEAEMP CC[N@@H+](CCO)CCNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000302228811 379337837 /nfs/dbraw/zinc/33/78/37/379337837.db2.gz VSYCQAPURTTYEG-UHFFFAOYSA-N 2 1 291.370 2.408 10 0 CEAEMP CN(CCC[NH3+])C(=O)CC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000094857873 184882959 /nfs/dbraw/zinc/88/29/59/184882959.db2.gz ZAMBWOSJTICXMF-UHFFFAOYSA-N 2 1 283.460 2.084 10 0 CEAEMP C[C@H]1[NH2+]CC[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957720 135077427 /nfs/dbraw/zinc/07/74/27/135077427.db2.gz LDDFOMIKJXNFFY-KGLIPLIRSA-N 2 1 293.842 2.460 10 0 CEAEMP C[C@H]1[NH2+]CC[C@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000092957678 135077621 /nfs/dbraw/zinc/07/76/21/135077621.db2.gz OGJWXEYKYOTKHH-KGLIPLIRSA-N 2 1 293.842 2.460 10 0 CEAEMP Cn1cc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)cn1 ZINC000383291585 395184818 /nfs/dbraw/zinc/18/48/18/395184818.db2.gz LFNZOTPBWHHOGS-MRXNPFEDSA-N 2 1 276.428 2.337 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)C[C@H]12 ZINC000394502013 400549848 /nfs/dbraw/zinc/54/98/48/400549848.db2.gz RCESKRBSDBLXHU-FVCCEPFGSA-N 2 1 258.356 2.481 10 0 CEAEMP CCn1cnnc1C1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000191786996 153189518 /nfs/dbraw/zinc/18/95/18/153189518.db2.gz OGKPNUSOKHYGRW-UHFFFAOYSA-N 2 1 293.459 2.209 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000193062909 153228459 /nfs/dbraw/zinc/22/84/59/153228459.db2.gz HZAQUTQAPXFUQX-HZPDHXFCSA-N 2 1 293.411 2.199 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000193062909 153228461 /nfs/dbraw/zinc/22/84/61/153228461.db2.gz HZAQUTQAPXFUQX-HZPDHXFCSA-N 2 1 293.411 2.199 10 0 CEAEMP COCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516304 153290655 /nfs/dbraw/zinc/29/06/55/153290655.db2.gz QKHPEYCNWKQVMP-AWEZNQCLSA-N 2 1 263.385 2.160 10 0 CEAEMP COCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516304 153290658 /nfs/dbraw/zinc/29/06/58/153290658.db2.gz QKHPEYCNWKQVMP-AWEZNQCLSA-N 2 1 263.385 2.160 10 0 CEAEMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000218921231 153300877 /nfs/dbraw/zinc/30/08/77/153300877.db2.gz SJWLTQUGRVXCIV-LSDHHAIUSA-N 2 1 295.471 2.275 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000178897617 165262838 /nfs/dbraw/zinc/26/28/38/165262838.db2.gz SBTDVPUSJAWUSO-CQSZACIVSA-N 2 1 266.433 2.163 10 0 CEAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@@H]1C ZINC000022152890 171360019 /nfs/dbraw/zinc/36/00/19/171360019.db2.gz ZYMOCJNIMHDLEL-STQMWFEESA-N 2 1 275.396 2.347 10 0 CEAEMP Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1C[NH3+] ZINC000022219505 171377087 /nfs/dbraw/zinc/37/70/87/171377087.db2.gz XLJNJAVEXKQOLK-UHFFFAOYSA-N 2 1 272.352 2.069 10 0 CEAEMP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000037209988 173031976 /nfs/dbraw/zinc/03/19/76/173031976.db2.gz WKJPIFAVUBCQDL-CVEARBPZSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000037209988 173031979 /nfs/dbraw/zinc/03/19/79/173031979.db2.gz WKJPIFAVUBCQDL-CVEARBPZSA-N 3 1 269.477 2.428 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000037209988 173031982 /nfs/dbraw/zinc/03/19/82/173031982.db2.gz WKJPIFAVUBCQDL-CVEARBPZSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000037215262 173035088 /nfs/dbraw/zinc/03/50/88/173035088.db2.gz KOKYLMHKABOYRT-OAHLLOKOSA-N 2 1 252.402 2.186 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037321293 173121900 /nfs/dbraw/zinc/12/19/00/173121900.db2.gz BPZAUSMCWRWQQH-HOTGVXAUSA-N 2 1 266.429 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)C1 ZINC000040672690 174370644 /nfs/dbraw/zinc/37/06/44/174370644.db2.gz YBXDWABRYNAJKV-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000040672690 174370647 /nfs/dbraw/zinc/37/06/47/174370647.db2.gz YBXDWABRYNAJKV-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000040672690 174370648 /nfs/dbraw/zinc/37/06/48/174370648.db2.gz YBXDWABRYNAJKV-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000040672690 174370649 /nfs/dbraw/zinc/37/06/49/174370649.db2.gz YBXDWABRYNAJKV-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([C@@H](C)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040672690 174370650 /nfs/dbraw/zinc/37/06/50/174370650.db2.gz YBXDWABRYNAJKV-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000040750308 174394808 /nfs/dbraw/zinc/39/48/08/174394808.db2.gz KBCPOQHKBUYOQA-ZXFUBFMLSA-N 2 1 282.391 2.326 10 0 CEAEMP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040750108 174395168 /nfs/dbraw/zinc/39/51/68/174395168.db2.gz NMVVBUFNUWZANR-YHWZYXNKSA-N 2 1 264.344 2.288 10 0 CEAEMP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040750108 174395170 /nfs/dbraw/zinc/39/51/70/174395170.db2.gz NMVVBUFNUWZANR-YHWZYXNKSA-N 2 1 264.344 2.288 10 0 CEAEMP Cc1cc2c(n1C[C@H]1CCC[N@H+](C)C1)CCC[C@@H]2[NH3+] ZINC000041733359 174620448 /nfs/dbraw/zinc/62/04/48/174620448.db2.gz VISXJEUJBBGZHY-ZFWWWQNUSA-N 2 1 261.413 2.474 10 0 CEAEMP COc1ccc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000042395226 174708427 /nfs/dbraw/zinc/70/84/27/174708427.db2.gz AMWJQCZVAQRTNR-UHFFFAOYSA-N 2 1 290.407 2.152 10 0 CEAEMP CC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000043818302 175112840 /nfs/dbraw/zinc/11/28/40/175112840.db2.gz IOGNDAVZLTZDQH-QGZVFWFLSA-N 2 1 275.440 2.283 10 0 CEAEMP CCOC1CC[NH+]([C@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906891 175122604 /nfs/dbraw/zinc/12/26/04/175122604.db2.gz ZZZWKXNVKUFMMP-SNPRPXQTSA-N 2 1 254.418 2.264 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000044808428 175256947 /nfs/dbraw/zinc/25/69/47/175256947.db2.gz AGSUPGFOOBWJBA-AWEZNQCLSA-N 2 1 283.460 2.132 10 0 CEAEMP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccc(C)cc1 ZINC000045043131 175294995 /nfs/dbraw/zinc/29/49/95/175294995.db2.gz VXVJKESOEKJMKT-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccc(C)cc1 ZINC000045043131 175294997 /nfs/dbraw/zinc/29/49/97/175294997.db2.gz VXVJKESOEKJMKT-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP CC(C)CCOCC[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000045109371 175309192 /nfs/dbraw/zinc/30/91/92/175309192.db2.gz CHXITXMEDYLILC-HUUCEWRRSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[C@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=[NH+]1 ZINC000045136105 175313355 /nfs/dbraw/zinc/31/33/55/175313355.db2.gz FSDHSVFNMKMBTR-RYUDHWBXSA-N 2 1 255.431 2.188 10 0 CEAEMP Cn1cc[nH+]c1CCNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000045136082 175313682 /nfs/dbraw/zinc/31/36/82/175313682.db2.gz GZRGNEHWLTWINH-ZDUSSCGKSA-N 2 1 286.404 2.396 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045171408 175320859 /nfs/dbraw/zinc/32/08/59/175320859.db2.gz ORKBGXVJKPDODB-FZMZJTMJSA-N 2 1 264.417 2.029 10 0 CEAEMP CCCC[N@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045368354 175362981 /nfs/dbraw/zinc/36/29/81/175362981.db2.gz MCIMJIAIYYDSLE-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045368354 175362982 /nfs/dbraw/zinc/36/29/82/175362982.db2.gz MCIMJIAIYYDSLE-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045370660 175364145 /nfs/dbraw/zinc/36/41/45/175364145.db2.gz OUNAAAOGTIWHFZ-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045370660 175364147 /nfs/dbraw/zinc/36/41/47/175364147.db2.gz OUNAAAOGTIWHFZ-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCC[N@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045370686 175364552 /nfs/dbraw/zinc/36/45/52/175364552.db2.gz KASKLAGFLAWMFP-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OC ZINC000045370686 175364553 /nfs/dbraw/zinc/36/45/53/175364553.db2.gz KASKLAGFLAWMFP-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375851 175366252 /nfs/dbraw/zinc/36/62/52/175366252.db2.gz VVDSGSIHNFSLEU-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[NH+](CC)CC)C(=O)OCC ZINC000045375846 175366630 /nfs/dbraw/zinc/36/66/30/175366630.db2.gz GVMMSIMDFPMJGH-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCC)C(=O)OC ZINC000045382367 175370897 /nfs/dbraw/zinc/37/08/97/175370897.db2.gz BQQROJSUWKEJCL-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCC)C(=O)OC ZINC000045382367 175370899 /nfs/dbraw/zinc/37/08/99/175370899.db2.gz BQQROJSUWKEJCL-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000045383206 175371555 /nfs/dbraw/zinc/37/15/55/175371555.db2.gz CDEKIZPEHGUFHV-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000045383206 175371557 /nfs/dbraw/zinc/37/15/57/175371557.db2.gz CDEKIZPEHGUFHV-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390664 175374283 /nfs/dbraw/zinc/37/42/83/175374283.db2.gz BZBYWEDNNUHFJL-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000070941101 176014626 /nfs/dbraw/zinc/01/46/26/176014626.db2.gz ISEDWODTYHSBCR-HZPDHXFCSA-N 2 1 290.407 2.004 10 0 CEAEMP CC[C@@H](CC[NH3+])[NH+]1CCN([C@H](C)c2ccccc2)CC1 ZINC000070988417 176018690 /nfs/dbraw/zinc/01/86/90/176018690.db2.gz HXOPOMRYCVBNAN-WBVHZDCISA-N 2 1 275.440 2.493 10 0 CEAEMP Cc1cc(C)cc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188332 176062692 /nfs/dbraw/zinc/06/26/92/176062692.db2.gz IHSPZFMBWSYYHK-NVXWUHKLSA-N 2 1 275.440 2.187 10 0 CEAEMP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188892 176063711 /nfs/dbraw/zinc/06/37/11/176063711.db2.gz QEEHYHXHMLUPEX-ZTFGCOKTSA-N 2 1 287.451 2.145 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000071189297 176064353 /nfs/dbraw/zinc/06/43/53/176064353.db2.gz UVFOIYLVRDKVNZ-JTQLQIEISA-N 2 1 280.803 2.012 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188978 176064692 /nfs/dbraw/zinc/06/46/92/176064692.db2.gz CCDFZBYFYFFLKO-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188978 176064693 /nfs/dbraw/zinc/06/46/93/176064693.db2.gz CCDFZBYFYFFLKO-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188978 176064694 /nfs/dbraw/zinc/06/46/94/176064694.db2.gz CCDFZBYFYFFLKO-GJZGRUSLSA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188978 176064695 /nfs/dbraw/zinc/06/46/95/176064695.db2.gz CCDFZBYFYFFLKO-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071188978 176064697 /nfs/dbraw/zinc/06/46/97/176064697.db2.gz CCDFZBYFYFFLKO-GJZGRUSLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191380 176070693 /nfs/dbraw/zinc/07/06/93/176070693.db2.gz YSZJRHVRDJCJBL-BRWVUGGUSA-N 2 1 281.488 2.428 10 0 CEAEMP CCC[C@@](C)(C[NH2+]CC)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191420 176070808 /nfs/dbraw/zinc/07/08/08/176070808.db2.gz SZLBMDOQSOATGM-CVEARBPZSA-N 2 1 269.477 2.286 10 0 CEAEMP CCC[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191957 176072403 /nfs/dbraw/zinc/07/24/03/176072403.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 2 1 279.428 2.163 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC000071213156 176084927 /nfs/dbraw/zinc/08/49/27/176084927.db2.gz GLOVOXCZNOHVEK-LBPRGKRZSA-N 2 1 253.415 2.273 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000071213156 176084928 /nfs/dbraw/zinc/08/49/28/176084928.db2.gz GLOVOXCZNOHVEK-LBPRGKRZSA-N 2 1 253.415 2.273 10 0 CEAEMP CCc1ccc(C[N@@H+](CCC[NH3+])CCOC)cc1 ZINC000071224540 176088544 /nfs/dbraw/zinc/08/85/44/176088544.db2.gz GFVTYGFJWJPJGC-UHFFFAOYSA-N 2 1 250.386 2.046 10 0 CEAEMP CCC[NH2+]CCCCCC[N@H+]1CCn2ccnc2C1 ZINC000071289925 176110185 /nfs/dbraw/zinc/11/01/85/176110185.db2.gz WMKZFUFTMNFSBP-UHFFFAOYSA-N 2 1 264.417 2.259 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC2(CCCCC2)[NH2+]C[C@H]1C ZINC000071359296 176137454 /nfs/dbraw/zinc/13/74/54/176137454.db2.gz XLVKYVDPCDCWMQ-CQSZACIVSA-N 2 1 276.428 2.188 10 0 CEAEMP [NH3+]CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390531498 262210311 /nfs/dbraw/zinc/21/03/11/262210311.db2.gz DXHUJALJXHWYOZ-ALOPSCKCSA-N 2 1 273.424 2.120 10 0 CEAEMP CCC[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187682645 270255652 /nfs/dbraw/zinc/25/56/52/270255652.db2.gz CUKVBWHLPLCGGI-UONOGXRCSA-N 2 1 256.434 2.200 10 0 CEAEMP CC1(C)C[N@@H+](CCCOCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000310683429 281235921 /nfs/dbraw/zinc/23/59/21/281235921.db2.gz SVZGMMQIMOSXSJ-JTQLQIEISA-N 2 1 268.323 2.015 10 0 CEAEMP CC[C@](C)(O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249398464 281291176 /nfs/dbraw/zinc/29/11/76/281291176.db2.gz SFMPEBMRKUWOLL-CABCVRRESA-N 2 1 254.418 2.098 10 0 CEAEMP CC(C)N[C@@](C)(C[C@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647855 519736526 /nfs/dbraw/zinc/73/65/26/519736526.db2.gz TXRZKQPRQQIICA-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647855 519736527 /nfs/dbraw/zinc/73/65/27/519736527.db2.gz TXRZKQPRQQIICA-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647855 519736528 /nfs/dbraw/zinc/73/65/28/519736528.db2.gz TXRZKQPRQQIICA-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CCOC)[C@@H](C)COC ZINC000052572401 519913432 /nfs/dbraw/zinc/91/34/32/519913432.db2.gz QMFSYLSASGHAAN-GJZGRUSLSA-N 2 1 274.449 2.138 10 0 CEAEMP CCC[NH2+]CC[C@@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503418 519918834 /nfs/dbraw/zinc/91/88/34/519918834.db2.gz RBYVVUANWGLKLP-OAHLLOKOSA-N 2 1 257.466 2.284 10 0 CEAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503418 519918836 /nfs/dbraw/zinc/91/88/36/519918836.db2.gz RBYVVUANWGLKLP-OAHLLOKOSA-N 2 1 257.466 2.284 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CC)[C@@H](C)COC)o1 ZINC000052504792 519995049 /nfs/dbraw/zinc/99/50/49/519995049.db2.gz RNWAOZREJWQSEP-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+]Cc1oc(C[N@@H+](CCOC)[C@H](C)COC)cc1C ZINC000052572470 520027230 /nfs/dbraw/zinc/02/72/30/520027230.db2.gz XOMDNMMZUXVERL-CQSZACIVSA-N 2 1 298.427 2.181 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636762 520044191 /nfs/dbraw/zinc/04/41/91/520044191.db2.gz CZKHFRUFZMFISR-DZKIICNBSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636762 520044201 /nfs/dbraw/zinc/04/42/01/520044201.db2.gz CZKHFRUFZMFISR-DZKIICNBSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648659 520045686 /nfs/dbraw/zinc/04/56/86/520045686.db2.gz LDHUWHZETFYFNS-DOMZBBRYSA-N 2 1 280.416 2.201 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068620992 520111105 /nfs/dbraw/zinc/11/11/05/520111105.db2.gz CBFBRUHMTQLBEQ-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068620992 520111114 /nfs/dbraw/zinc/11/11/14/520111114.db2.gz CBFBRUHMTQLBEQ-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635791 520237611 /nfs/dbraw/zinc/23/76/11/520237611.db2.gz RQTQPYZGSQNCMA-TTZDDIAXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635791 520237614 /nfs/dbraw/zinc/23/76/14/520237614.db2.gz RQTQPYZGSQNCMA-TTZDDIAXSA-N 2 1 283.460 2.129 10 0 CEAEMP CCCO[C@@H]1CCC[N@@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764494 520270652 /nfs/dbraw/zinc/27/06/52/520270652.db2.gz JVRGWNIOLZVUQN-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC(C)(C)[N@@H+](C)C[C@H](O)COc1ccc(C[NH3+])cc1 ZINC000069429407 521305105 /nfs/dbraw/zinc/30/51/05/521305105.db2.gz IPUPLAOEHQFACR-AWEZNQCLSA-N 2 1 280.412 2.005 10 0 CEAEMP CCCc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)sc1C[NH2+]C ZINC000054998309 521528410 /nfs/dbraw/zinc/52/84/10/521528410.db2.gz BXFSMHMYTMVNGE-GFCCVEGCSA-N 2 1 296.484 2.345 10 0 CEAEMP C[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443451 522030233 /nfs/dbraw/zinc/03/02/33/522030233.db2.gz VYEIBCXXHKYXEY-CYBMUJFWSA-N 2 1 281.831 2.318 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCCC[C@H](C)[NH2+]C)CC1 ZINC000055065107 522117797 /nfs/dbraw/zinc/11/77/97/522117797.db2.gz GZHUZHILKFJLOS-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP C[NH2+]Cc1coc(C[N@@H+](CCOC)[C@@H](C)C2CC2)c1 ZINC000052545399 522149902 /nfs/dbraw/zinc/14/99/02/522149902.db2.gz NDPXHPMLCQYOHV-LBPRGKRZSA-N 2 1 266.385 2.246 10 0 CEAEMP C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400412322 533810766 /nfs/dbraw/zinc/81/07/66/533810766.db2.gz UKNDUZSHAZJHDC-DOTOQJQBSA-N 2 1 287.451 2.239 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069311265 518761740 /nfs/dbraw/zinc/76/17/40/518761740.db2.gz NZKQQMDFCZFRDS-CYBMUJFWSA-N 2 1 254.418 2.266 10 0 CEAEMP CC(C)C[N@H+](CCN(C)C)C[C@H](C)C[NH2+]C(C)C ZINC000052503298 519716109 /nfs/dbraw/zinc/71/61/09/519716109.db2.gz ANMCZYPZXLKANA-OAHLLOKOSA-N 2 1 257.466 2.140 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)C[C@H](C)C[NH2+]C(C)C ZINC000052503298 519716110 /nfs/dbraw/zinc/71/61/10/519716110.db2.gz ANMCZYPZXLKANA-OAHLLOKOSA-N 2 1 257.466 2.140 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CCc2ccncc2)O1 ZINC000052483154 519723485 /nfs/dbraw/zinc/72/34/85/519723485.db2.gz BMFHVEZWPGTORS-IRXDYDNUSA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CCCC2)O1 ZINC000052444970 519723754 /nfs/dbraw/zinc/72/37/54/519723754.db2.gz OSHVQUBZHNSITG-LSDHHAIUSA-N 2 1 254.418 2.406 10 0 CEAEMP CC(C)C[NH2+]Cc1ccc(CN2CCC[N@@H+](C)CC2)o1 ZINC000052424199 519747090 /nfs/dbraw/zinc/74/70/90/519747090.db2.gz UFAGYWUNVFBZIC-UHFFFAOYSA-N 2 1 279.428 2.163 10 0 CEAEMP CC(C)C[NH2+]Cc1nc(CN2CCC[N@@H+](C)CC2)cs1 ZINC000052424069 519748300 /nfs/dbraw/zinc/74/83/00/519748300.db2.gz HNHYLBPTCBDMFF-UHFFFAOYSA-N 2 1 296.484 2.026 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@H+]1CC ZINC000054603229 519908524 /nfs/dbraw/zinc/90/85/24/519908524.db2.gz WCNYIGGRORFZDS-HMQMGEFJSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763377 519908557 /nfs/dbraw/zinc/90/85/57/519908557.db2.gz OOFRBKWMOQAREP-CQSZACIVSA-N 2 1 256.434 2.249 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628532 519910545 /nfs/dbraw/zinc/91/05/45/519910545.db2.gz SRKSVUGPJBITJY-ZKXZWOTCSA-N 2 1 252.402 2.159 10 0 CEAEMP CCC[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000048784506 519913029 /nfs/dbraw/zinc/91/30/29/519913029.db2.gz HTBLJYIOWPYIPI-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCCC2)O1 ZINC000052444966 519924488 /nfs/dbraw/zinc/92/44/88/519924488.db2.gz JCXGEUGLKKIBIT-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2C)O1 ZINC000052379023 519938538 /nfs/dbraw/zinc/93/85/38/519938538.db2.gz OLJZCHXBBOXSPP-RRFJBIMHSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476101 519956494 /nfs/dbraw/zinc/95/64/94/519956494.db2.gz GHBAUJOIQFSOBJ-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@@H]1C ZINC000052476101 519956496 /nfs/dbraw/zinc/95/64/96/519956496.db2.gz GHBAUJOIQFSOBJ-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1C ZINC000052475890 519956665 /nfs/dbraw/zinc/95/66/65/519956665.db2.gz BXNAIENQGGASCA-HNNXBMFYSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+]Cc1ccccc1OCC[N@H+]1CCOC[C@@H]1C ZINC000052475890 519956671 /nfs/dbraw/zinc/95/66/71/519956671.db2.gz BXNAIENQGGASCA-HNNXBMFYSA-N 2 1 292.423 2.286 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)COC)oc1C ZINC000052511468 519986733 /nfs/dbraw/zinc/98/67/33/519986733.db2.gz JEONLJRIPZMZTF-LLVKDONJSA-N 2 1 254.374 2.164 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](C)[C@@H](C)COC)cc1 ZINC000052511659 519999483 /nfs/dbraw/zinc/99/94/83/519999483.db2.gz GXZHEXCUKMSGCC-AWEZNQCLSA-N 2 1 280.412 2.142 10 0 CEAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)[C@H](C)COC)c1 ZINC000052511641 520007222 /nfs/dbraw/zinc/00/72/22/520007222.db2.gz LMQNEHMPYAKEKB-CQSZACIVSA-N 2 1 280.412 2.142 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@H+]1CCCSCC1 ZINC000052371057 520030728 /nfs/dbraw/zinc/03/07/28/520030728.db2.gz PUHQIQDKSCGAJP-UHFFFAOYSA-N 2 1 254.399 2.328 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632894 520113817 /nfs/dbraw/zinc/11/38/17/520113817.db2.gz TVKIBCLOWNEVTK-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632894 520113821 /nfs/dbraw/zinc/11/38/21/520113821.db2.gz TVKIBCLOWNEVTK-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637872 520113842 /nfs/dbraw/zinc/11/38/42/520113842.db2.gz RSVNYLXKPSASMJ-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637872 520113848 /nfs/dbraw/zinc/11/38/48/520113848.db2.gz RSVNYLXKPSASMJ-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@H](C)c1sc(N2CCC[N@@H+](C)CC2)nc1C ZINC000054899079 520182548 /nfs/dbraw/zinc/18/25/48/520182548.db2.gz QVIPZZXOFVHSAF-LLVKDONJSA-N 2 1 282.457 2.264 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648122 520236551 /nfs/dbraw/zinc/23/65/51/520236551.db2.gz BZUDOFCBFNNCQD-HLLBOEOZSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648122 520236555 /nfs/dbraw/zinc/23/65/55/520236555.db2.gz BZUDOFCBFNNCQD-HLLBOEOZSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[N@@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182544 521226662 /nfs/dbraw/zinc/22/66/62/521226662.db2.gz VWZHOFYDAZQDPH-INIZCTEOSA-N 2 1 298.471 2.282 10 0 CEAEMP CC[N@@H+](C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052452242 521273910 /nfs/dbraw/zinc/27/39/10/521273910.db2.gz SXWFHEYXQVECFI-ZIAGYGMSSA-N 2 1 254.418 2.406 10 0 CEAEMP CCCc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)sc1C[NH2+]C ZINC000054998310 521529767 /nfs/dbraw/zinc/52/97/67/521529767.db2.gz BXFSMHMYTMVNGE-LBPRGKRZSA-N 2 1 296.484 2.345 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+]CC23CCCC3)c1C ZINC000068696281 521812792 /nfs/dbraw/zinc/81/27/92/521812792.db2.gz NSXKOYXVNBNKLF-UHFFFAOYSA-N 2 1 289.423 2.425 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2ccnc2C[NH2+]C2CC2)c1C ZINC000051015005 521814543 /nfs/dbraw/zinc/81/45/43/521814543.db2.gz OCKPOZRJXXSANH-UHFFFAOYSA-N 2 1 286.379 2.204 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1cccnc1 ZINC000054602171 521952988 /nfs/dbraw/zinc/95/29/88/521952988.db2.gz QDXIKLSIKLHNBJ-MQVJKMGUSA-N 2 1 259.397 2.229 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2cccc(OC)c2)CCOCC1 ZINC000052198196 521965051 /nfs/dbraw/zinc/96/50/51/521965051.db2.gz ZNWWZYRGRPTVFD-UHFFFAOYSA-N 2 1 292.423 2.143 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482370 522062604 /nfs/dbraw/zinc/06/26/04/522062604.db2.gz BGUQYOPTEXMASA-XUWVNRHRSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[C@H](C[NH2+]C1CC1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545298 522191585 /nfs/dbraw/zinc/19/15/85/522191585.db2.gz RPBDXMLWMQVHRI-SWLSCSKDSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@H](C[NH2+]C1CC1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545298 522191594 /nfs/dbraw/zinc/19/15/94/522191594.db2.gz RPBDXMLWMQVHRI-SWLSCSKDSA-N 2 1 254.418 2.264 10 0 CEAEMP CCc1[nH+]ccn1-c1c(F)cc(C[NH2+]C)cc1F ZINC000062719743 522579858 /nfs/dbraw/zinc/57/98/58/522579858.db2.gz WNRVZKUFMSPIDO-UHFFFAOYSA-N 2 1 251.280 2.432 10 0 CEAEMP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1cscn1 ZINC000050953893 522787342 /nfs/dbraw/zinc/78/73/42/522787342.db2.gz YTLPELUNYYUXEO-LBPRGKRZSA-N 2 1 253.415 2.497 10 0 CEAEMP C[N@@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1cscn1 ZINC000050953893 522787352 /nfs/dbraw/zinc/78/73/52/522787352.db2.gz YTLPELUNYYUXEO-LBPRGKRZSA-N 2 1 253.415 2.497 10 0 CEAEMP CC[C@@]1(C)C[NH2+][C@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068704262 523719413 /nfs/dbraw/zinc/71/94/13/523719413.db2.gz MZGHTGZUUHLOPT-HOTGVXAUSA-N 2 1 278.444 2.290 10 0 CEAEMP COCC[N@@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1)[C@@H](C)C1CC1 ZINC000052545451 523733415 /nfs/dbraw/zinc/73/34/15/523733415.db2.gz FJKSFGCEXCKLHM-BHYGNILZSA-N 2 1 298.471 2.279 10 0 CEAEMP COCC[N@H+](Cc1cc(C[NH3+])c(C)o1)CC(C)C ZINC000052508540 523740290 /nfs/dbraw/zinc/74/02/90/523740290.db2.gz FQEBBIUAYNACSD-UHFFFAOYSA-N 2 1 254.374 2.151 10 0 CEAEMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658201 524389780 /nfs/dbraw/zinc/38/97/80/524389780.db2.gz VNLXPQYMPGFEJD-YPMHNXCESA-N 2 1 260.385 2.376 10 0 CEAEMP Cc1ccc(C[N@@H+](C)Cc2cc[nH+]c(NN)c2)cc1 ZINC000052724662 524395845 /nfs/dbraw/zinc/39/58/45/524395845.db2.gz ANESLCOFZWPIOF-UHFFFAOYSA-N 2 1 256.353 2.308 10 0 CEAEMP Cc1ccc(C[N@H+](C)Cc2cc[nH+]c(NN)c2)cc1 ZINC000052724662 524395852 /nfs/dbraw/zinc/39/58/52/524395852.db2.gz ANESLCOFZWPIOF-UHFFFAOYSA-N 2 1 256.353 2.308 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)CCc1ccncc1 ZINC000052483125 524458477 /nfs/dbraw/zinc/45/84/77/524458477.db2.gz RYZMAFNNLURYNJ-AWEZNQCLSA-N 2 1 261.413 2.477 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC2)CCO1 ZINC000052382739 525017518 /nfs/dbraw/zinc/01/75/18/525017518.db2.gz VYYWAXALUDGQMO-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC2)CCO1 ZINC000052382739 525017523 /nfs/dbraw/zinc/01/75/23/525017523.db2.gz VYYWAXALUDGQMO-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP Cc1oc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1C[NH3+] ZINC000052543475 526772861 /nfs/dbraw/zinc/77/28/61/526772861.db2.gz IXTAOXNPIRGILK-JTQLQIEISA-N 2 1 252.358 2.046 10 0 CEAEMP Cc1oc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1C[NH3+] ZINC000052543475 526772868 /nfs/dbraw/zinc/77/28/68/526772868.db2.gz IXTAOXNPIRGILK-JTQLQIEISA-N 2 1 252.358 2.046 10 0 CEAEMP NC(=[NH2+])C[C@@H](c1ccccc1)[N@H+]1CCCSCC1 ZINC000055023204 526816222 /nfs/dbraw/zinc/81/62/22/526816222.db2.gz GABDYJDQRJAFFD-ZDUSSCGKSA-N 2 1 263.410 2.493 10 0 CEAEMP NC(=[NH2+])c1ncccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000061658390 526826065 /nfs/dbraw/zinc/82/60/65/526826065.db2.gz NKXYQJMINMZZHQ-AWEZNQCLSA-N 2 1 280.375 2.355 10 0 CEAEMP Cc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)sc1C[NH2+]C(C)C ZINC000054998288 526952429 /nfs/dbraw/zinc/95/24/29/526952429.db2.gz GPQHWANVFGQQCC-ZDUSSCGKSA-N 2 1 296.484 2.480 10 0 CEAEMP [NH3+]C[C@H]1CCCCC[C@@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758170 527230193 /nfs/dbraw/zinc/23/01/93/527230193.db2.gz KKXNLLPZCNZCDX-KFWWJZLASA-N 2 1 254.418 2.131 10 0 CEAEMP FC(F)(F)COCCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049564877 527669701 /nfs/dbraw/zinc/66/97/01/527669701.db2.gz KNEOVGOKDHNALW-NEPJUHHUSA-N 2 1 280.334 2.172 10 0 CEAEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@](C)(O)CC ZINC000191490185 528861873 /nfs/dbraw/zinc/86/18/73/528861873.db2.gz FMMMJUXQEHNBQQ-HNNXBMFYSA-N 2 1 267.417 2.319 10 0 CEAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@](C)(O)CC ZINC000191490185 528861877 /nfs/dbraw/zinc/86/18/77/528861877.db2.gz FMMMJUXQEHNBQQ-HNNXBMFYSA-N 2 1 267.417 2.319 10 0 CEAEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@](C)(O)CC ZINC000191490166 528862871 /nfs/dbraw/zinc/86/28/71/528862871.db2.gz FMMMJUXQEHNBQQ-OAHLLOKOSA-N 2 1 267.417 2.319 10 0 CEAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@](C)(O)CC ZINC000191490166 528862873 /nfs/dbraw/zinc/86/28/73/528862873.db2.gz FMMMJUXQEHNBQQ-OAHLLOKOSA-N 2 1 267.417 2.319 10 0 CEAEMP Cc1nn(C)c2sc([C@@H]3CC[C@@H]([NH3+])[C@H](C)[NH2+]3)cc12 ZINC000757216552 574513398 /nfs/dbraw/zinc/51/33/98/574513398.db2.gz QIASVOUDHOVFTF-GDPRMGEGSA-N 2 1 264.398 2.084 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261972837 624027617 /nfs/dbraw/zinc/02/76/17/624027617.db2.gz QSXPWYNIPFNFOO-BRWVUGGUSA-N 2 1 274.408 2.242 10 0 CEAEMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262011596 629435842 /nfs/dbraw/zinc/43/58/42/629435842.db2.gz VPMZDPPLVPKRSD-GVDBMIGSSA-N 2 1 274.408 2.242 10 0 CEAEMP Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+](C)C)nn1C ZINC000096081871 185091233 /nfs/dbraw/zinc/09/12/33/185091233.db2.gz KHPZCKPIJHODEJ-ZMSDIMECSA-N 2 1 290.455 2.138 10 0 CEAEMP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328622634 344755794 /nfs/dbraw/zinc/75/57/94/344755794.db2.gz BKJDGFAUVSXEIU-ZFWWWQNUSA-N 2 1 277.412 2.240 10 0 CEAEMP C[C@@H](C[C@](C)(O)C[NH3+])[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300943 179010423 /nfs/dbraw/zinc/01/04/23/179010423.db2.gz DJNFVFPUQHEXLC-CFVMTHIKSA-N 2 1 254.418 2.129 10 0 CEAEMP C[C@H]([N@H+](C)C[C@@](O)(C[NH3+])c1ccccc1)C(C)(C)C ZINC000085300704 179010649 /nfs/dbraw/zinc/01/06/49/179010649.db2.gz LESWKKDJTKZQQT-BBRMVZONSA-N 2 1 264.413 2.199 10 0 CEAEMP C[C@H]([N@@H+](C)C[C@@](O)(C[NH3+])c1ccccc1)C(C)(C)C ZINC000085300704 179010650 /nfs/dbraw/zinc/01/06/50/179010650.db2.gz LESWKKDJTKZQQT-BBRMVZONSA-N 2 1 264.413 2.199 10 0 CEAEMP CC[C@@H]1CCCC[N@@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085300046 179010363 /nfs/dbraw/zinc/01/03/63/179010363.db2.gz AMAKNHUCQVUPIU-CVEARBPZSA-N 2 1 262.397 2.097 10 0 CEAEMP CC[C@@H]1CCCC[N@H+]1C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085300046 179010366 /nfs/dbraw/zinc/01/03/66/179010366.db2.gz AMAKNHUCQVUPIU-CVEARBPZSA-N 2 1 262.397 2.097 10 0 CEAEMP C([C@@H]1CCOC1)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403764 179053180 /nfs/dbraw/zinc/05/31/80/179053180.db2.gz RPPCONIYAVCDRC-GOEBONIOSA-N 2 1 266.429 2.267 10 0 CEAEMP CCC[C@H]1C[NH2+][C@H](CC)CN1CCn1cc[nH+]c1C ZINC000085472659 179077033 /nfs/dbraw/zinc/07/70/33/179077033.db2.gz ZZKZQVDRYQARBI-CABCVRRESA-N 2 1 264.417 2.044 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085510338 179086063 /nfs/dbraw/zinc/08/60/63/179086063.db2.gz LSTCYUHNPPGNTL-HOTGVXAUSA-N 2 1 276.428 2.044 10 0 CEAEMP CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085523440 179088393 /nfs/dbraw/zinc/08/83/93/179088393.db2.gz XWTZZHQBEYXSOP-JKSUJKDBSA-N 2 1 276.428 2.044 10 0 CEAEMP C[C@@H]([NH3+])c1nc(C[NH2+]CCC(F)(F)F)cs1 ZINC000085550432 179093107 /nfs/dbraw/zinc/09/31/07/179093107.db2.gz BWIFZKWGHHRQGJ-ZCFIWIBFSA-N 2 1 253.293 2.205 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624042 179106554 /nfs/dbraw/zinc/10/65/54/179106554.db2.gz JQGYMJGSTJVUIK-GJZGRUSLSA-N 2 1 278.444 2.372 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1Cc1cnn(C)c1 ZINC000085624766 179106909 /nfs/dbraw/zinc/10/69/09/179106909.db2.gz WZWXVVWBWCFGCJ-TZMCWYRMSA-N 2 1 264.417 2.019 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1Cc1cnn(C)c1 ZINC000085624766 179106910 /nfs/dbraw/zinc/10/69/10/179106910.db2.gz WZWXVVWBWCFGCJ-TZMCWYRMSA-N 2 1 264.417 2.019 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085621712 179105357 /nfs/dbraw/zinc/10/53/57/179105357.db2.gz JNAYIITYWVYDIN-JKSUJKDBSA-N 2 1 278.444 2.372 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1CCn1cccn1 ZINC000085621011 179106004 /nfs/dbraw/zinc/10/60/04/179106004.db2.gz NQXUJFQEJKPVOM-OAHLLOKOSA-N 2 1 276.428 2.270 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171854 179242752 /nfs/dbraw/zinc/24/27/52/179242752.db2.gz JQFLXVCVTCLRTR-HZMVEIRTSA-N 2 1 281.488 2.283 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086173671 179244780 /nfs/dbraw/zinc/24/47/80/179244780.db2.gz PXNABJGOBWOLQW-IRXDYDNUSA-N 2 1 281.488 2.283 10 0 CEAEMP CC[C@]1(C)CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223092 179251208 /nfs/dbraw/zinc/25/12/08/179251208.db2.gz LPEHEFJTTRYPEH-OWCLPIDISA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259360 179258228 /nfs/dbraw/zinc/25/82/28/179258228.db2.gz FQCVELWVUCJEQU-KKUMJFAQSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CC(C)(C)NC[C@@H]2C(C)C)CC1 ZINC000086259153 179258465 /nfs/dbraw/zinc/25/84/65/179258465.db2.gz XPKTXAUSHTVDFB-MRXNPFEDSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)(C)[C@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288767 179264888 /nfs/dbraw/zinc/26/48/88/179264888.db2.gz VJZNWRQLKGOBMB-OAHLLOKOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291445 179265799 /nfs/dbraw/zinc/26/57/99/179265799.db2.gz UQYFZTYSPAZUER-INIZCTEOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)C[C@H]1CN(CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291445 179265800 /nfs/dbraw/zinc/26/58/00/179265800.db2.gz UQYFZTYSPAZUER-INIZCTEOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292972 179266111 /nfs/dbraw/zinc/26/61/11/179266111.db2.gz VFWWJQAFVIRVKE-IKGGRYGDSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292991 179266979 /nfs/dbraw/zinc/26/69/79/179266979.db2.gz AITWLCAIYVXLJG-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@]1(C2CC2)C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297920 179268902 /nfs/dbraw/zinc/26/89/02/179268902.db2.gz PFYLXWQWYRHQDE-CQSZACIVSA-N 2 1 265.426 2.150 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297920 179268904 /nfs/dbraw/zinc/26/89/04/179268904.db2.gz PFYLXWQWYRHQDE-CQSZACIVSA-N 2 1 265.426 2.150 10 0 CEAEMP C[N@H+]1CCC[C@](CN)([NH+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348281 /nfs/dbraw/zinc/34/82/81/179348281.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 2 1 279.472 2.454 10 0 CEAEMP C[NH+]1CCC[C@](CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348284 /nfs/dbraw/zinc/34/82/84/179348284.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 2 1 279.472 2.454 10 0 CEAEMP C[NH+]1CCC[C@](CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348285 /nfs/dbraw/zinc/34/82/85/179348285.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 2 1 279.472 2.454 10 0 CEAEMP C[N@@H+]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348287 /nfs/dbraw/zinc/34/82/87/179348287.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 2 1 279.472 2.454 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348289 /nfs/dbraw/zinc/34/82/89/179348289.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 2 1 279.472 2.454 10 0 CEAEMP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086819123 179348836 /nfs/dbraw/zinc/34/88/36/179348836.db2.gz JUVQARXZOUCVGJ-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086819123 179348837 /nfs/dbraw/zinc/34/88/37/179348837.db2.gz JUVQARXZOUCVGJ-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357275 /nfs/dbraw/zinc/35/72/75/179357275.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357276 /nfs/dbraw/zinc/35/72/76/179357276.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357277 /nfs/dbraw/zinc/35/72/77/179357277.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357279 /nfs/dbraw/zinc/35/72/79/179357279.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357280 /nfs/dbraw/zinc/35/72/80/179357280.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 2 1 255.450 2.166 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CCOC)[C@@H](C)CC)CC1 ZINC000086848103 179357295 /nfs/dbraw/zinc/35/72/95/179357295.db2.gz SYSGWHGXYPNQRM-IRXDYDNUSA-N 2 1 299.503 2.327 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000086836003 179349851 /nfs/dbraw/zinc/34/98/51/179349851.db2.gz JXGPJNKEBRHLNE-INIZCTEOSA-N 2 1 289.423 2.010 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000086836544 179351664 /nfs/dbraw/zinc/35/16/64/179351664.db2.gz NVHPRNGJWNTICZ-HUUCEWRRSA-N 2 1 290.407 2.290 10 0 CEAEMP CC(C)[C@@H](CN[C@@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836662 179351678 /nfs/dbraw/zinc/35/16/78/179351678.db2.gz BCPHVCUNPDVSDE-HZPDHXFCSA-N 2 1 269.477 2.425 10 0 CEAEMP CCC[NH+]1CCC(N[C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086836815 179351731 /nfs/dbraw/zinc/35/17/31/179351731.db2.gz QDOAMDAWERVTIW-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086836815 179351732 /nfs/dbraw/zinc/35/17/32/179351732.db2.gz QDOAMDAWERVTIW-OAHLLOKOSA-N 3 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086836815 179351735 /nfs/dbraw/zinc/35/17/35/179351735.db2.gz QDOAMDAWERVTIW-OAHLLOKOSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836927 179351813 /nfs/dbraw/zinc/35/18/13/179351813.db2.gz TVCAOPSKCVHSJS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)N(C)C)CC1 ZINC000086836927 179351814 /nfs/dbraw/zinc/35/18/14/179351814.db2.gz TVCAOPSKCVHSJS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)N(C)C)CC1 ZINC000086836927 179351817 /nfs/dbraw/zinc/35/18/17/179351817.db2.gz TVCAOPSKCVHSJS-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836929 179351915 /nfs/dbraw/zinc/35/19/15/179351915.db2.gz TVCAOPSKCVHSJS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)N(C)C)CC1 ZINC000086836929 179351916 /nfs/dbraw/zinc/35/19/16/179351916.db2.gz TVCAOPSKCVHSJS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)N(C)C)CC1 ZINC000086836929 179351919 /nfs/dbraw/zinc/35/19/19/179351919.db2.gz TVCAOPSKCVHSJS-HZPDHXFCSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836786 179351959 /nfs/dbraw/zinc/35/19/59/179351959.db2.gz FNDDCJYUUPBNFV-CQSZACIVSA-N 2 1 263.385 2.054 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836786 179351963 /nfs/dbraw/zinc/35/19/63/179351963.db2.gz FNDDCJYUUPBNFV-CQSZACIVSA-N 2 1 263.385 2.054 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843389 179353536 /nfs/dbraw/zinc/35/35/36/179353536.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843389 179353537 /nfs/dbraw/zinc/35/35/37/179353537.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843389 179353538 /nfs/dbraw/zinc/35/35/38/179353538.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843389 179353540 /nfs/dbraw/zinc/35/35/40/179353540.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843389 179353541 /nfs/dbraw/zinc/35/35/41/179353541.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843389 179353543 /nfs/dbraw/zinc/35/35/43/179353543.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843389 179353544 /nfs/dbraw/zinc/35/35/44/179353544.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCCCN(C)[C@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846555 179354397 /nfs/dbraw/zinc/35/43/97/179354397.db2.gz XRCMRXVHUFTDRO-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CCCN(CC)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846753 179354656 /nfs/dbraw/zinc/35/46/56/179354656.db2.gz WTGRZXSKZCKVBH-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCCN(CC)[C@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846762 179354770 /nfs/dbraw/zinc/35/47/70/179354770.db2.gz KVFUSTYSEPNYRV-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851249 179359804 /nfs/dbraw/zinc/35/98/04/179359804.db2.gz GNBVOIXOCYNIMY-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851249 179359806 /nfs/dbraw/zinc/35/98/06/179359806.db2.gz GNBVOIXOCYNIMY-CVEARBPZSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851249 179359808 /nfs/dbraw/zinc/35/98/08/179359808.db2.gz GNBVOIXOCYNIMY-CVEARBPZSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851249 179359810 /nfs/dbraw/zinc/35/98/10/179359810.db2.gz GNBVOIXOCYNIMY-CVEARBPZSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851249 179359812 /nfs/dbraw/zinc/35/98/12/179359812.db2.gz GNBVOIXOCYNIMY-CVEARBPZSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000086910566 179367344 /nfs/dbraw/zinc/36/73/44/179367344.db2.gz UFVSHQNKMRSUEL-HOTGVXAUSA-N 2 1 267.461 2.312 10 0 CEAEMP CC(C)[C@@H]1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950408 179368842 /nfs/dbraw/zinc/36/88/42/179368842.db2.gz DMDVTWTUACRDFH-IAGOWNOFSA-N 2 1 281.488 2.428 10 0 CEAEMP CC1CCC(O)(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000087062330 179389570 /nfs/dbraw/zinc/38/95/70/179389570.db2.gz FSYIHGQKUVACIW-PCKAHOCUSA-N 2 1 268.445 2.392 10 0 CEAEMP C[NH2+][C@H](CSC1CCCC1)Cc1cc[nH+]c(N)c1 ZINC000087144702 179397125 /nfs/dbraw/zinc/39/71/25/179397125.db2.gz DUIABBMNPNDKOH-LBPRGKRZSA-N 2 1 265.426 2.470 10 0 CEAEMP C[C@H]([NH2+]Cc1ccccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000400485050 233178971 /nfs/dbraw/zinc/17/89/71/233178971.db2.gz XCVLLRCCJAJPMG-QWRGUYRKSA-N 2 1 270.323 2.376 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1cccc(OC)c1 ZINC000090566335 180005559 /nfs/dbraw/zinc/00/55/59/180005559.db2.gz TUTOQDSEZLGBFF-WBVHZDCISA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1cccc(OC)c1 ZINC000090566335 180005560 /nfs/dbraw/zinc/00/55/60/180005560.db2.gz TUTOQDSEZLGBFF-WBVHZDCISA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCc2sccc2C1 ZINC000090565981 180005662 /nfs/dbraw/zinc/00/56/62/180005662.db2.gz KNNRRQPQPIUVFN-UONOGXRCSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCc2sccc2C1 ZINC000090565981 180005664 /nfs/dbraw/zinc/00/56/64/180005664.db2.gz KNNRRQPQPIUVFN-UONOGXRCSA-N 2 1 280.437 2.121 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000090566872 180006894 /nfs/dbraw/zinc/00/68/94/180006894.db2.gz JIPPIQXTLXRTNW-QZTJIDSGSA-N 2 1 288.435 2.449 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)s1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606791 180011248 /nfs/dbraw/zinc/01/12/48/180011248.db2.gz QPCIBYAHATZJQX-CMPLNLGQSA-N 2 1 274.817 2.197 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)s1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606791 180011249 /nfs/dbraw/zinc/01/12/49/180011249.db2.gz QPCIBYAHATZJQX-CMPLNLGQSA-N 2 1 274.817 2.197 10 0 CEAEMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693682 180026060 /nfs/dbraw/zinc/02/60/60/180026060.db2.gz MZTSNJKAXMHROR-RRFJBIMHSA-N 2 1 295.471 2.144 10 0 CEAEMP C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873626 180049954 /nfs/dbraw/zinc/04/99/54/180049954.db2.gz IDKYLMQMDFMWFS-KBMXLJTQSA-N 2 1 274.408 2.310 10 0 CEAEMP [NH3+]C[C@@H]1CCC[N@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275390 180118953 /nfs/dbraw/zinc/11/89/53/180118953.db2.gz DQEJMWQMGAOISC-NHYWBVRUSA-N 2 1 260.385 2.092 10 0 CEAEMP [NH3+]C[C@@H]1CCC[N@@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275390 180118955 /nfs/dbraw/zinc/11/89/55/180118955.db2.gz DQEJMWQMGAOISC-NHYWBVRUSA-N 2 1 260.385 2.092 10 0 CEAEMP FC(F)(F)C1CC[NH+](CC[C@H]2CSCC[NH2+]2)CC1 ZINC000091292369 180123612 /nfs/dbraw/zinc/12/36/12/180123612.db2.gz BEEXVFOYYPIEMF-NSHDSACASA-N 2 1 282.375 2.356 10 0 CEAEMP C[NH2+][C@@H](C)C(C)(C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000091404839 180147367 /nfs/dbraw/zinc/14/73/67/180147367.db2.gz FJRPYZWSAIPLGI-HNNXBMFYSA-N 2 1 281.488 2.428 10 0 CEAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCCCC1 ZINC000091568309 180195133 /nfs/dbraw/zinc/19/51/33/180195133.db2.gz QTBLCNMDSMQBAQ-INIZCTEOSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@](C)(CC)[NH+](C)C ZINC000091570974 180195606 /nfs/dbraw/zinc/19/56/06/180195606.db2.gz ZTTPRWIYUFAGNK-HOCLYGCPSA-N 2 1 295.475 2.185 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@@](C)(CC)[NH+](C)C ZINC000091571372 180196687 /nfs/dbraw/zinc/19/66/87/180196687.db2.gz OFTOORVXQSAZHK-JKSUJKDBSA-N 2 1 280.460 2.233 10 0 CEAEMP CC[C@](C)([C@H]([NH3+])Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604449 180202952 /nfs/dbraw/zinc/20/29/52/180202952.db2.gz UQPORGAQIQSKES-GDBMZVCRSA-N 2 1 293.459 2.068 10 0 CEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527931 180179861 /nfs/dbraw/zinc/17/98/61/180179861.db2.gz NEIZRWVATRNGNE-GDBMZVCRSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCC1 ZINC000091535720 180182180 /nfs/dbraw/zinc/18/21/80/180182180.db2.gz AQLQOYVZLSRROI-OAHLLOKOSA-N 2 1 276.428 2.059 10 0 CEAEMP CC[NH2+][C@H](Cc1cccnc1N)C1([NH+](C)C)CCCCC1 ZINC000091647809 180215559 /nfs/dbraw/zinc/21/55/59/180215559.db2.gz ICMSYNYCQWLAGX-OAHLLOKOSA-N 2 1 290.455 2.449 10 0 CEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652576 180216847 /nfs/dbraw/zinc/21/68/47/180216847.db2.gz UKOXKACAUGUAMP-FRFSOERESA-N 2 1 290.455 2.305 10 0 CEAEMP [NH3+][C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720806 180236421 /nfs/dbraw/zinc/23/64/21/180236421.db2.gz ZNZWZHFEVDJQEP-HZSPNIEDSA-N 2 1 266.772 2.203 10 0 CEAEMP [NH3+][C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720806 180236423 /nfs/dbraw/zinc/23/64/23/180236423.db2.gz ZNZWZHFEVDJQEP-HZSPNIEDSA-N 2 1 266.772 2.203 10 0 CEAEMP CC[NH2+][C@H](Cc1ccsc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721793 180240499 /nfs/dbraw/zinc/24/04/99/180240499.db2.gz ITIOPNRZRALDPU-KFWWJZLASA-N 2 1 280.437 2.132 10 0 CEAEMP CC[NH2+][C@H](Cc1ccsc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721793 180240502 /nfs/dbraw/zinc/24/05/02/180240502.db2.gz ITIOPNRZRALDPU-KFWWJZLASA-N 2 1 280.437 2.132 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC000091851601 180272621 /nfs/dbraw/zinc/27/26/21/180272621.db2.gz SCBQCYZMHRZNDQ-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@H+](C)CC1 ZINC000091851601 180272622 /nfs/dbraw/zinc/27/26/22/180272622.db2.gz SCBQCYZMHRZNDQ-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC000091851601 180272624 /nfs/dbraw/zinc/27/26/24/180272624.db2.gz SCBQCYZMHRZNDQ-PCKAHOCUSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCCN(C)CC1 ZINC000091851601 180272626 /nfs/dbraw/zinc/27/26/26/180272626.db2.gz SCBQCYZMHRZNDQ-PCKAHOCUSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCCN(C)CC1 ZINC000091851601 180272627 /nfs/dbraw/zinc/27/26/27/180272627.db2.gz SCBQCYZMHRZNDQ-PCKAHOCUSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[N@@H+](CCN1CCCCC1)C1CCC([NH3+])CC1 ZINC000091852238 180272787 /nfs/dbraw/zinc/27/27/87/180272787.db2.gz SFZSWAFUGYFDKJ-UHFFFAOYSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+](C[C@H]1CN(C(C)C)CCO1)C1CCC([NH3+])CC1 ZINC000091852498 180273156 /nfs/dbraw/zinc/27/31/56/180273156.db2.gz CQOTXYWZYXXKIA-OFLPRAFFSA-N 2 1 297.487 2.078 10 0 CEAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091846391 180270429 /nfs/dbraw/zinc/27/04/29/180270429.db2.gz SBHSKPRLGFCVCP-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C1CCC([NH3+])CC1 ZINC000091846391 180270431 /nfs/dbraw/zinc/27/04/31/180270431.db2.gz SBHSKPRLGFCVCP-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C1CCC([NH3+])CC1 ZINC000091846391 180270433 /nfs/dbraw/zinc/27/04/33/180270433.db2.gz SBHSKPRLGFCVCP-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CN1CCCC[C@@H]1CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846391 180270434 /nfs/dbraw/zinc/27/04/34/180270434.db2.gz SBHSKPRLGFCVCP-SHARSMKWSA-N 2 1 253.434 2.063 10 0 CEAEMP CN1CCCC[C@@H]1CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846391 180270437 /nfs/dbraw/zinc/27/04/37/180270437.db2.gz SBHSKPRLGFCVCP-SHARSMKWSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@@H+]([C@H](C)C(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091851075 180271918 /nfs/dbraw/zinc/27/19/18/180271918.db2.gz ILYWGNWJANBHAS-VQCLRJIVSA-N 2 1 295.471 2.416 10 0 CEAEMP CC[N@@H+](Cc1occc1C(=O)OC)C1CCC([NH3+])CC1 ZINC000091850898 180271963 /nfs/dbraw/zinc/27/19/63/180271963.db2.gz LTTRORFATYXMMC-UHFFFAOYSA-N 2 1 280.368 2.158 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)N[C@H](C)CC)CC1 ZINC000091870103 180277159 /nfs/dbraw/zinc/27/71/59/180277159.db2.gz MUENMPUMKKULIO-WLYUNCDWSA-N 2 1 283.460 2.144 10 0 CEAEMP CC[N@H+]1CCC[C@](O)(C2(C[NH3+])CCCCC2)CC1 ZINC000091922504 180286864 /nfs/dbraw/zinc/28/68/64/180286864.db2.gz CVYCMQIXDBBCGY-OAHLLOKOSA-N 2 1 254.418 2.133 10 0 CEAEMP CC[C@H]([NH2+]C)c1ccccc1OC[C@@H]1C[N@H+](CC)CCO1 ZINC000092051105 180312143 /nfs/dbraw/zinc/31/21/43/180312143.db2.gz RSYKFIJXLQYAJP-HOCLYGCPSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[C@H]([NH2+]C)c1ccccc1OC[C@@H]1C[N@@H+](CC)CCO1 ZINC000092051105 180312145 /nfs/dbraw/zinc/31/21/45/180312145.db2.gz RSYKFIJXLQYAJP-HOCLYGCPSA-N 2 1 292.423 2.457 10 0 CEAEMP CC[N@H+]1CCO[C@H](Cn2ccc3c2cccc3C[NH2+]C)C1 ZINC000092060161 180315046 /nfs/dbraw/zinc/31/50/46/180315046.db2.gz WRKZHKCCXQONKE-HNNXBMFYSA-N 2 1 287.407 2.081 10 0 CEAEMP Cc1cc(CC[NH3+])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092005029 180305116 /nfs/dbraw/zinc/30/51/16/180305116.db2.gz HAKHIUJENIFURU-CVEARBPZSA-N 2 1 273.424 2.169 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307382 180360296 /nfs/dbraw/zinc/36/02/96/180360296.db2.gz JFRBROXOLDJESK-GDBMZVCRSA-N 2 1 274.408 2.483 10 0 CEAEMP c1ccc(SCC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000092260460 180354225 /nfs/dbraw/zinc/35/42/25/180354225.db2.gz TZJIGMSQXCXGHL-HUUCEWRRSA-N 2 1 292.448 2.232 10 0 CEAEMP c1ccc(SCC[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000092260460 180354227 /nfs/dbraw/zinc/35/42/27/180354227.db2.gz TZJIGMSQXCXGHL-HUUCEWRRSA-N 2 1 292.448 2.232 10 0 CEAEMP C[N@@H+](C[C@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267646 180355678 /nfs/dbraw/zinc/35/56/78/180355678.db2.gz GRSICLNMTXAPBM-CQSZACIVSA-N 2 1 262.422 2.387 10 0 CEAEMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300442 180358403 /nfs/dbraw/zinc/35/84/03/180358403.db2.gz IFNOLZONIXLSMA-UONOGXRCSA-N 2 1 260.381 2.094 10 0 CEAEMP CC[C@H](C)[N@H+](CCOC)Cc1cc(NC)cc[nH+]1 ZINC000092418758 180381275 /nfs/dbraw/zinc/38/12/75/180381275.db2.gz STRHBFYZCKKSQN-LBPRGKRZSA-N 2 1 251.374 2.370 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(NC)cc[nH+]1 ZINC000092418758 180381276 /nfs/dbraw/zinc/38/12/76/180381276.db2.gz STRHBFYZCKKSQN-LBPRGKRZSA-N 2 1 251.374 2.370 10 0 CEAEMP C[N@@H+](Cc1cccc2c1NCC2)C[C@H]1CC[NH+](C)C1 ZINC000130557037 365967783 /nfs/dbraw/zinc/96/77/83/365967783.db2.gz LJCUXCSNIYUWJM-ZDUSSCGKSA-N 2 1 259.397 2.038 10 0 CEAEMP C[N@H+](Cc1cccc2c1NCC2)C[C@H]1CC[NH+](C)C1 ZINC000130557037 365967787 /nfs/dbraw/zinc/96/77/87/365967787.db2.gz LJCUXCSNIYUWJM-ZDUSSCGKSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1cccc2c1NCC2)C[C@H]1CC[N@H+](C)C1 ZINC000130557037 365967793 /nfs/dbraw/zinc/96/77/93/365967793.db2.gz LJCUXCSNIYUWJM-ZDUSSCGKSA-N 2 1 259.397 2.038 10 0 CEAEMP C[NH+](Cc1cccc2c1NCC2)C[C@H]1CC[N@@H+](C)C1 ZINC000130557037 365967798 /nfs/dbraw/zinc/96/77/98/365967798.db2.gz LJCUXCSNIYUWJM-ZDUSSCGKSA-N 2 1 259.397 2.038 10 0 CEAEMP CCN(CC)[C@H]1CC[N@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000110370622 186294760 /nfs/dbraw/zinc/29/47/60/186294760.db2.gz SDWVAGPRPIDFIV-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCN(CC)[C@H]1CC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000110370622 186294761 /nfs/dbraw/zinc/29/47/61/186294761.db2.gz SDWVAGPRPIDFIV-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703855 186314382 /nfs/dbraw/zinc/31/43/82/186314382.db2.gz ULQJZAMFGCNDJX-UMVBOHGHSA-N 2 1 265.401 2.002 10 0 CEAEMP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110704829 186314406 /nfs/dbraw/zinc/31/44/06/186314406.db2.gz FSUOXBWSMGEOLH-JSGCOSHPSA-N 2 1 281.469 2.471 10 0 CEAEMP CCC[NH2+][C@H](CC)[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717314 186315346 /nfs/dbraw/zinc/31/53/46/186315346.db2.gz LOPSNTGOPZMZNJ-ZIAGYGMSSA-N 2 1 255.450 2.179 10 0 CEAEMP C[N@H+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1(C)C ZINC000110716511 186316423 /nfs/dbraw/zinc/31/64/23/186316423.db2.gz AICFXUJJPYGMPF-UONOGXRCSA-N 2 1 253.434 2.063 10 0 CEAEMP CCOc1ccc([C@H](C[NH3+])N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000110709663 186316667 /nfs/dbraw/zinc/31/66/67/186316667.db2.gz UAINQTICMOEVCR-YOEHRIQHSA-N 2 1 291.439 2.111 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000110724121 186317753 /nfs/dbraw/zinc/31/77/53/186317753.db2.gz JDHHXOCODJQZCI-AWEZNQCLSA-N 2 1 283.460 2.084 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000110724121 186317755 /nfs/dbraw/zinc/31/77/55/186317755.db2.gz JDHHXOCODJQZCI-AWEZNQCLSA-N 2 1 283.460 2.084 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110746820 186319508 /nfs/dbraw/zinc/31/95/08/186319508.db2.gz SMOUGKHKCCYQBY-XHSDSOJGSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110746820 186319510 /nfs/dbraw/zinc/31/95/10/186319510.db2.gz SMOUGKHKCCYQBY-XHSDSOJGSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110746820 186319511 /nfs/dbraw/zinc/31/95/11/186319511.db2.gz SMOUGKHKCCYQBY-XHSDSOJGSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[N@H+]1CCN(c2nc(C)c([C@@H](C)[NH2+]C)s2)C[C@@H]1C ZINC000110758463 186321195 /nfs/dbraw/zinc/32/11/95/186321195.db2.gz SFONFJJPTGGWPW-WDEREUQCSA-N 2 1 282.457 2.262 10 0 CEAEMP C[C@@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@@H+]1C ZINC000110760001 186322451 /nfs/dbraw/zinc/32/24/51/186322451.db2.gz MCTPDLUAOZRNMJ-SNVBAGLBSA-N 2 1 282.457 2.040 10 0 CEAEMP C[C@@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@H+]1C ZINC000110760001 186322452 /nfs/dbraw/zinc/32/24/52/186322452.db2.gz MCTPDLUAOZRNMJ-SNVBAGLBSA-N 2 1 282.457 2.040 10 0 CEAEMP CCOCC[N@@H+](CC)CC[C@@H]([NH3+])c1ccccc1 ZINC000111122884 186354392 /nfs/dbraw/zinc/35/43/92/186354392.db2.gz IKLHEHMDCSIVEE-OAHLLOKOSA-N 2 1 250.386 2.435 10 0 CEAEMP Cc1ccc([C@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000111143907 186359138 /nfs/dbraw/zinc/35/91/38/186359138.db2.gz JSGOCTGDWMTZPX-MRXNPFEDSA-N 2 1 264.413 2.220 10 0 CEAEMP Cc1ccc([C@H](O)C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000111143907 186359139 /nfs/dbraw/zinc/35/91/39/186359139.db2.gz JSGOCTGDWMTZPX-MRXNPFEDSA-N 2 1 264.413 2.220 10 0 CEAEMP C[N@@H+](CC[C@H]([NH3+])c1ccccc1)C[C@@H]1CCCOC1 ZINC000111172174 186365032 /nfs/dbraw/zinc/36/50/32/186365032.db2.gz VPEYLLDJACROOV-HOCLYGCPSA-N 2 1 262.397 2.435 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@@H]2CCCOC2)CCOCC1 ZINC000111172143 186365285 /nfs/dbraw/zinc/36/52/85/186365285.db2.gz YXQYUVPKOJGAEI-INIZCTEOSA-N 2 1 298.471 2.140 10 0 CEAEMP C[N@@H+](CCC[NH2+]C1CCCC1)C[C@H]1CCCOC1 ZINC000111176475 186365563 /nfs/dbraw/zinc/36/55/63/186365563.db2.gz POOAYKFIFWHDEE-CQSZACIVSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@H+]2CCC[C@@H]2C)CCCOC1 ZINC000111323363 186396569 /nfs/dbraw/zinc/39/65/69/186396569.db2.gz FGMYCRPBGZVBMF-GJZGRUSLSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326441 186398042 /nfs/dbraw/zinc/39/80/42/186398042.db2.gz UQURAKKYOURJCQ-DLBZAZTESA-N 2 1 298.471 2.284 10 0 CEAEMP CC[N@@H+](C[C@@]1(C[NH2+]C)CCCOC1)C1CCCC1 ZINC000111325298 186398274 /nfs/dbraw/zinc/39/82/74/186398274.db2.gz OUTROUPNFIBMRK-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccc(C)cc2)CCCOC1 ZINC000111324504 186398395 /nfs/dbraw/zinc/39/83/95/186398395.db2.gz WOMKGBLKEVGYIH-KRWDZBQOSA-N 2 1 276.424 2.443 10 0 CEAEMP [NH3+]C[C@@]1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCOC1 ZINC000111325855 186398658 /nfs/dbraw/zinc/39/86/58/186398658.db2.gz HDLPKFLTSNAPDA-ARFHVFGLSA-N 2 1 266.429 2.254 10 0 CEAEMP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccc(F)cc2)CCCOC1 ZINC000111328764 186399654 /nfs/dbraw/zinc/39/96/54/186399654.db2.gz NZWPGDHISKGMRI-INIZCTEOSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccc(F)cc2)CCCOC1 ZINC000111328764 186399655 /nfs/dbraw/zinc/39/96/55/186399655.db2.gz NZWPGDHISKGMRI-INIZCTEOSA-N 2 1 280.387 2.274 10 0 CEAEMP Cc1cccc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)[nH+]1 ZINC000630527119 351773278 /nfs/dbraw/zinc/77/32/78/351773278.db2.gz HUGHAXKUSJUSBK-GHMZBOCLSA-N 2 1 273.302 2.354 10 0 CEAEMP Cc1cccc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)[nH+]1 ZINC000630527121 351773429 /nfs/dbraw/zinc/77/34/29/351773429.db2.gz HUGHAXKUSJUSBK-QWRGUYRKSA-N 2 1 273.302 2.354 10 0 CEAEMP Cc1cccc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)[nH+]1 ZINC000630527120 351773451 /nfs/dbraw/zinc/77/34/51/351773451.db2.gz HUGHAXKUSJUSBK-MNOVXSKESA-N 2 1 273.302 2.354 10 0 CEAEMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151337964 366640193 /nfs/dbraw/zinc/64/01/93/366640193.db2.gz SFYGSMQDYYJRFN-WBVHZDCISA-N 2 1 276.424 2.492 10 0 CEAEMP CCc1cc(NCc2ccc(C[NH3+])cc2)nc(C)[nH+]1 ZINC000088759961 363921197 /nfs/dbraw/zinc/92/11/97/363921197.db2.gz RIZNHYWKTBQICO-UHFFFAOYSA-N 2 1 256.353 2.418 10 0 CEAEMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813039 364109494 /nfs/dbraw/zinc/10/94/94/364109494.db2.gz BWIHZTLOGKCUMK-HNNXBMFYSA-N 2 1 299.422 2.366 10 0 CEAEMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813039 364109498 /nfs/dbraw/zinc/10/94/98/364109498.db2.gz BWIHZTLOGKCUMK-HNNXBMFYSA-N 2 1 299.422 2.366 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000631839228 367579493 /nfs/dbraw/zinc/57/94/93/367579493.db2.gz CCXJLSBKJLWIIE-JSGCOSHPSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000631839228 367579496 /nfs/dbraw/zinc/57/94/96/367579496.db2.gz CCXJLSBKJLWIIE-JSGCOSHPSA-N 2 1 271.364 2.368 10 0 CEAEMP Cc1ccc(C)c(OCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631842903 367584454 /nfs/dbraw/zinc/58/44/54/367584454.db2.gz HEUCPXNIENTIGG-LSDHHAIUSA-N 2 1 262.397 2.209 10 0 CEAEMP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631843193 367585800 /nfs/dbraw/zinc/58/58/00/367585800.db2.gz KDZOZLPHZKITGN-RYUDHWBXSA-N 2 1 268.788 2.245 10 0 CEAEMP CCOC(=O)[C@@H](CC)N1CC[C@H](CNc2ccccn2)C1 ZINC000173779044 367942991 /nfs/dbraw/zinc/94/29/91/367942991.db2.gz AAGSHQIDJUBZII-ZIAGYGMSSA-N 2 1 291.395 2.157 10 0 CEAEMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000173778820 367943697 /nfs/dbraw/zinc/94/36/97/367943697.db2.gz IOAPRLJPKBDOEH-AWEZNQCLSA-N 2 1 291.395 2.157 10 0 CEAEMP CC(=O)c1ccccc1OCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669223 370486185 /nfs/dbraw/zinc/48/61/85/370486185.db2.gz NENXLTGFVKLOKQ-OAHLLOKOSA-N 2 1 290.407 2.342 10 0 CEAEMP CC(=O)c1ccccc1OCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669223 370486188 /nfs/dbraw/zinc/48/61/88/370486188.db2.gz NENXLTGFVKLOKQ-OAHLLOKOSA-N 2 1 290.407 2.342 10 0 CEAEMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261588179 371665321 /nfs/dbraw/zinc/66/53/21/371665321.db2.gz KAWQKENHNMRJPA-IMJJTQAJSA-N 2 1 260.381 2.254 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]12 ZINC000261601255 371673524 /nfs/dbraw/zinc/67/35/24/371673524.db2.gz BSCSHSJNURZPPY-USXIJHARSA-N 2 1 282.391 2.041 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]12 ZINC000261857975 371753057 /nfs/dbraw/zinc/75/30/57/371753057.db2.gz XOOCAYBPABTXKP-NILFDRSVSA-N 2 1 292.810 2.444 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]12 ZINC000261857975 371753063 /nfs/dbraw/zinc/75/30/63/371753063.db2.gz XOOCAYBPABTXKP-NILFDRSVSA-N 2 1 292.810 2.444 10 0 CEAEMP Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261896790 371764635 /nfs/dbraw/zinc/76/46/35/371764635.db2.gz HGAGNEGVCWHQGN-BFHYXJOUSA-N 2 1 280.437 2.303 10 0 CEAEMP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261971523 371786516 /nfs/dbraw/zinc/78/65/16/371786516.db2.gz QPXZSIZSCQVZNL-MJBXVCDLSA-N 2 1 254.418 2.169 10 0 CEAEMP C(CC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261987318 371789166 /nfs/dbraw/zinc/78/91/66/371789166.db2.gz SIGNFRJPWBWRNE-ARFHVFGLSA-N 2 1 266.429 2.313 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]12 ZINC000261986724 371790303 /nfs/dbraw/zinc/79/03/03/371790303.db2.gz RYGFGUBYGZFCND-LERXQTSPSA-N 2 1 288.420 2.307 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]CCn2cc[nH+]c2C)c1C ZINC000312730562 376727490 /nfs/dbraw/zinc/72/74/90/376727490.db2.gz JDMZIWCFIJGAGX-NSHDSACASA-N 2 1 275.400 2.376 10 0 CEAEMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345232 197305324 /nfs/dbraw/zinc/30/53/24/197305324.db2.gz JXQCRCLSWQFZKE-SUMWQHHRSA-N 2 1 276.424 2.355 10 0 CEAEMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289345232 197305326 /nfs/dbraw/zinc/30/53/26/197305326.db2.gz JXQCRCLSWQFZKE-SUMWQHHRSA-N 2 1 276.424 2.355 10 0 CEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCOC2(CCCC2)C1 ZINC000094384669 184792348 /nfs/dbraw/zinc/79/23/48/184792348.db2.gz KEYNUPHCKKKTBT-KLHDSHLOSA-N 2 1 278.440 2.408 10 0 CEAEMP C[C@]1(C[NH2+][C@@]2(C[NH3+])CCCCC2(C)C)CCCO1 ZINC000094799959 184867811 /nfs/dbraw/zinc/86/78/11/184867811.db2.gz FUCXWIPVLBRGBM-HUUCEWRRSA-N 2 1 254.418 2.443 10 0 CEAEMP CCC[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2F)CC1 ZINC000087535427 135050824 /nfs/dbraw/zinc/05/08/24/135050824.db2.gz GCYBIVNPMURGLP-CQSZACIVSA-N 2 1 279.403 2.323 10 0 CEAEMP NC(=[NH2+])c1cc(Cl)ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439599 135087774 /nfs/dbraw/zinc/08/77/74/135087774.db2.gz JBYHRQVXBGCVLX-GFCCVEGCSA-N 2 1 292.814 2.299 10 0 CEAEMP C[C@H]1CCN(C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000306791381 394517859 /nfs/dbraw/zinc/51/78/59/394517859.db2.gz XNEOXBOWOWJSRU-INIZCTEOSA-N 2 1 287.451 2.335 10 0 CEAEMP Cc1cccc([C@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000394063406 395203815 /nfs/dbraw/zinc/20/38/15/395203815.db2.gz RCEOXQCWTVLBKJ-BBRMVZONSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)c1 ZINC000394063406 395203820 /nfs/dbraw/zinc/20/38/20/395203820.db2.gz RCEOXQCWTVLBKJ-BBRMVZONSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000394063406 395203823 /nfs/dbraw/zinc/20/38/23/395203823.db2.gz RCEOXQCWTVLBKJ-BBRMVZONSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000394063406 395203830 /nfs/dbraw/zinc/20/38/30/395203830.db2.gz RCEOXQCWTVLBKJ-BBRMVZONSA-N 2 1 262.397 2.101 10 0 CEAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000263118156 154020679 /nfs/dbraw/zinc/02/06/79/154020679.db2.gz ASZXETSAWATWSX-ROUUACIJSA-N 2 1 282.387 2.024 10 0 CEAEMP C[C@H]([NH3+])C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000159900761 162319601 /nfs/dbraw/zinc/31/96/01/162319601.db2.gz PORAWTJLIPHOBM-VIFPVBQESA-N 2 1 284.201 2.408 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000020260527 171117074 /nfs/dbraw/zinc/11/70/74/171117074.db2.gz LFZWFZJYTMTLHW-GOEBONIOSA-N 2 1 261.413 2.021 10 0 CEAEMP CCN(CC)C(=O)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020367503 171165872 /nfs/dbraw/zinc/16/58/72/171165872.db2.gz XLPIEPCPHBJCSK-LSDHHAIUSA-N 2 1 283.460 2.097 10 0 CEAEMP CCN(CC)C(=O)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020367503 171165873 /nfs/dbraw/zinc/16/58/73/171165873.db2.gz XLPIEPCPHBJCSK-LSDHHAIUSA-N 2 1 283.460 2.097 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022170814 171368301 /nfs/dbraw/zinc/36/83/01/171368301.db2.gz CFOPUBWCCUUCPY-OKILXGFUSA-N 2 1 289.423 2.452 10 0 CEAEMP Oc1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000036852362 172749708 /nfs/dbraw/zinc/74/97/08/172749708.db2.gz TWVWQRAPAAHGBP-OAHLLOKOSA-N 2 1 260.381 2.455 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])Cc1ccc(OC)c(OC)c1 ZINC000037299536 173103946 /nfs/dbraw/zinc/10/39/46/173103946.db2.gz QDSFIAXCIITQDS-UHFFFAOYSA-N 2 1 266.385 2.265 10 0 CEAEMP CCCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043224 174049622 /nfs/dbraw/zinc/04/96/22/174049622.db2.gz BQAGNTVHVKUTRV-GOEBONIOSA-N 2 1 295.471 2.288 10 0 CEAEMP CCCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043224 174049624 /nfs/dbraw/zinc/04/96/24/174049624.db2.gz BQAGNTVHVKUTRV-GOEBONIOSA-N 2 1 295.471 2.288 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)[NH+](C)C)C1 ZINC000038087975 174100750 /nfs/dbraw/zinc/10/07/50/174100750.db2.gz PSHNZWSETHQJSN-KFWWJZLASA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)N(C)C)C1 ZINC000038087975 174100752 /nfs/dbraw/zinc/10/07/52/174100752.db2.gz PSHNZWSETHQJSN-KFWWJZLASA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)N(C)C)C1 ZINC000038087975 174100753 /nfs/dbraw/zinc/10/07/53/174100753.db2.gz PSHNZWSETHQJSN-KFWWJZLASA-N 2 1 255.450 2.037 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000040592211 174347487 /nfs/dbraw/zinc/34/74/87/174347487.db2.gz BGHMOHLPJNRJTH-UKRRQHHQSA-N 2 1 260.381 2.442 10 0 CEAEMP CCC[NH2+][C@H](C)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000043817815 175113428 /nfs/dbraw/zinc/11/34/28/175113428.db2.gz WBVTTYISKSLREI-NVXWUHKLSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@H]1[NH+]1CCC(CC)CC1)OCCO2 ZINC000043913472 175124463 /nfs/dbraw/zinc/12/44/63/175124463.db2.gz HJVROMHOPHOJFJ-HZPDHXFCSA-N 2 1 296.455 2.382 10 0 CEAEMP CCCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135065 175312469 /nfs/dbraw/zinc/31/24/69/175312469.db2.gz WLKYMAHIXZXSOA-GJZGRUSLSA-N 2 1 283.460 2.001 10 0 CEAEMP CCCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045135065 175312470 /nfs/dbraw/zinc/31/24/70/175312470.db2.gz WLKYMAHIXZXSOA-GJZGRUSLSA-N 2 1 283.460 2.001 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280620 175350329 /nfs/dbraw/zinc/35/03/29/175350329.db2.gz MVQLTBZTRXEOIF-ZBCRRDGASA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280620 175350330 /nfs/dbraw/zinc/35/03/30/175350330.db2.gz MVQLTBZTRXEOIF-ZBCRRDGASA-N 2 1 283.460 2.131 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH3+])C(=O)OC)C1CCCCC1 ZINC000045372384 175364646 /nfs/dbraw/zinc/36/46/46/175364646.db2.gz CXURPXDDXVZIPJ-HNNXBMFYSA-N 2 1 270.417 2.312 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373501 175364675 /nfs/dbraw/zinc/36/46/75/175364675.db2.gz IGOAURDEEHOMBE-GUTXKFCHSA-N 2 1 270.417 2.025 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373501 175364676 /nfs/dbraw/zinc/36/46/76/175364676.db2.gz IGOAURDEEHOMBE-GUTXKFCHSA-N 2 1 270.417 2.025 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[NH+]1CCCCCC1 ZINC000045377433 175366826 /nfs/dbraw/zinc/36/68/26/175366826.db2.gz YIMMKVMOXZOXCH-HNNXBMFYSA-N 2 1 270.417 2.313 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[NH+](C)C)C(=O)OCC ZINC000045380110 175369004 /nfs/dbraw/zinc/36/90/04/175369004.db2.gz WEJQAPUPBQFCMN-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[NH+](C)C)C(=O)OCC ZINC000045380108 175369094 /nfs/dbraw/zinc/36/90/94/175369094.db2.gz WEJQAPUPBQFCMN-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045381734 175369625 /nfs/dbraw/zinc/36/96/25/175369625.db2.gz GKZAVBOGBOPXBI-INIZCTEOSA-N 2 1 285.476 2.377 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](CC)C(C)C ZINC000045383625 175371495 /nfs/dbraw/zinc/37/14/95/175371495.db2.gz NYTYTDAGXIFASR-CQSZACIVSA-N 2 1 258.406 2.168 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH3+])C(=O)OCC ZINC000045388093 175373967 /nfs/dbraw/zinc/37/39/67/175373967.db2.gz OAZKHYFADIHTDH-AWEZNQCLSA-N 2 1 258.406 2.169 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391602 175374439 /nfs/dbraw/zinc/37/44/39/175374439.db2.gz WGWDJUSBWSHFDG-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391602 175374440 /nfs/dbraw/zinc/37/44/40/175374440.db2.gz WGWDJUSBWSHFDG-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)[C@@H](C)C(C)C ZINC000045392100 175375370 /nfs/dbraw/zinc/37/53/70/175375370.db2.gz FKWIVIALSYNITN-JSGCOSHPSA-N 2 1 258.406 2.023 10 0 CEAEMP CCCC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045421768 175380447 /nfs/dbraw/zinc/38/04/47/175380447.db2.gz ZKIPVYLBGLEKJP-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCCC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C1CC1 ZINC000045421768 175380449 /nfs/dbraw/zinc/38/04/49/175380449.db2.gz ZKIPVYLBGLEKJP-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000071124748 176034908 /nfs/dbraw/zinc/03/49/08/176034908.db2.gz FLYTVIGXTXNBTF-ZACQAIPSSA-N 2 1 279.472 2.454 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])([N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123786 176034987 /nfs/dbraw/zinc/03/49/87/176034987.db2.gz KRIPWZWFVRIPQK-KKUMJFAQSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCC[C@H]([N@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147382 176043622 /nfs/dbraw/zinc/04/36/22/176043622.db2.gz VPKLLSXEVTYIDO-CVEARBPZSA-N 2 1 267.461 2.312 10 0 CEAEMP CCCCCC[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148922 176044822 /nfs/dbraw/zinc/04/48/22/176044822.db2.gz QVOSJXITYFNUEV-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000071169806 176050494 /nfs/dbraw/zinc/05/04/94/176050494.db2.gz HLRSQXDGISWDAN-UKRRQHHQSA-N 2 1 262.397 2.297 10 0 CEAEMP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071187850 176061869 /nfs/dbraw/zinc/06/18/69/176061869.db2.gz YNCLQNRWGQGTSC-ZMSDIMECSA-N 2 1 275.440 2.267 10 0 CEAEMP Cc1cc(C)cc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188333 176062501 /nfs/dbraw/zinc/06/25/01/176062501.db2.gz IHSPZFMBWSYYHK-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000071188857 176063336 /nfs/dbraw/zinc/06/33/36/176063336.db2.gz OFNFCGNIVLKMDC-AEFFLSMTSA-N 2 1 289.467 2.447 10 0 CEAEMP CCC[C@H]([NH2+]C)[C@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188870 176063935 /nfs/dbraw/zinc/06/39/35/176063935.db2.gz PXVQIFMVLGKBSH-ILXRZTDVSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+][C@@H](CC)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189032 176065022 /nfs/dbraw/zinc/06/50/22/176065022.db2.gz XJVYHMZVWPYBHQ-KFWWJZLASA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191319 176069937 /nfs/dbraw/zinc/06/99/37/176069937.db2.gz INVKYCJNFPLHOU-HZMVEIRTSA-N 2 1 281.488 2.284 10 0 CEAEMP CC(C)C[NH2+]Cc1cccnc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191656 176070116 /nfs/dbraw/zinc/07/01/16/176070116.db2.gz QDTPDLVEGNISPB-OAHLLOKOSA-N 2 1 290.455 2.215 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1nc(C[NH3+])cc2ccccc21 ZINC000071191773 176071132 /nfs/dbraw/zinc/07/11/32/176071132.db2.gz LNAXSYNNPOOZIY-CYBMUJFWSA-N 2 1 284.407 2.081 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191859 176072541 /nfs/dbraw/zinc/07/25/41/176072541.db2.gz UMZWYLSQHZJYNF-OAHLLOKOSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191859 176072542 /nfs/dbraw/zinc/07/25/42/176072542.db2.gz UMZWYLSQHZJYNF-OAHLLOKOSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191859 176072543 /nfs/dbraw/zinc/07/25/43/176072543.db2.gz UMZWYLSQHZJYNF-OAHLLOKOSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+](C)C[C@H]1CCN(C)C1 ZINC000071191859 176072544 /nfs/dbraw/zinc/07/25/44/176072544.db2.gz UMZWYLSQHZJYNF-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000071191859 176072545 /nfs/dbraw/zinc/07/25/45/176072545.db2.gz UMZWYLSQHZJYNF-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192421 176073584 /nfs/dbraw/zinc/07/35/84/176073584.db2.gz OIUNCPRVIIYHOA-XHSDSOJGSA-N 2 1 267.461 2.038 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCN1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198133 176077149 /nfs/dbraw/zinc/07/71/49/176077149.db2.gz HPYVOWBTGSAYPM-ZBFHGGJFSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[NH2+][C@H]1CCCN(C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000071200520 176077586 /nfs/dbraw/zinc/07/75/86/176077586.db2.gz IZBVKUUMDZGUMK-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000071263552 176096571 /nfs/dbraw/zinc/09/65/71/176096571.db2.gz UWOXPRCJLFVEGM-JKSUJKDBSA-N 2 1 278.371 2.428 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000071263552 176096573 /nfs/dbraw/zinc/09/65/73/176096573.db2.gz UWOXPRCJLFVEGM-JKSUJKDBSA-N 2 1 278.371 2.428 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000071293930 176111851 /nfs/dbraw/zinc/11/18/51/176111851.db2.gz DDQQOMYWMWJASS-AWEZNQCLSA-N 2 1 270.417 2.041 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]C[C@H](C3CC3)S2)C1 ZINC000071307849 176116179 /nfs/dbraw/zinc/11/61/79/176116179.db2.gz ZFPPNBQBNYAZEM-DGCLKSJQSA-N 2 1 267.442 2.188 10 0 CEAEMP CC[C@H](C)[C@H]1CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000071355745 176136589 /nfs/dbraw/zinc/13/65/89/176136589.db2.gz QSHALNGHVUVYJZ-DZGCQCFKSA-N 2 1 278.444 2.290 10 0 CEAEMP CCCC1(C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000071378489 176142891 /nfs/dbraw/zinc/14/28/91/176142891.db2.gz IEGFMSYIELHIFG-UHFFFAOYSA-N 2 1 295.471 2.147 10 0 CEAEMP [NH3+][C@@H](CCCN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000071401842 176153709 /nfs/dbraw/zinc/15/37/09/176153709.db2.gz GNHGFZDXOALMOW-KRWDZBQOSA-N 2 1 273.424 2.247 10 0 CEAEMP C[N@@H+](CCC[C@H]([NH3+])c1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000071402120 176154035 /nfs/dbraw/zinc/15/40/35/176154035.db2.gz NYJBOIHXJYSUFO-RDJZCZTQSA-N 3 1 275.440 2.350 10 0 CEAEMP C[NH+](CCC[C@H]([NH3+])c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071402120 176154036 /nfs/dbraw/zinc/15/40/36/176154036.db2.gz NYJBOIHXJYSUFO-RDJZCZTQSA-N 3 1 275.440 2.350 10 0 CEAEMP C[NH+](CCC[C@H]([NH3+])c1ccccc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071402120 176154037 /nfs/dbraw/zinc/15/40/37/176154037.db2.gz NYJBOIHXJYSUFO-RDJZCZTQSA-N 3 1 275.440 2.350 10 0 CEAEMP CN1CC[C@@H](C[N@H+](C)CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071402120 176154038 /nfs/dbraw/zinc/15/40/38/176154038.db2.gz NYJBOIHXJYSUFO-RDJZCZTQSA-N 2 1 275.440 2.350 10 0 CEAEMP CN1CC[C@@H](C[N@@H+](C)CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071402120 176154040 /nfs/dbraw/zinc/15/40/40/176154040.db2.gz NYJBOIHXJYSUFO-RDJZCZTQSA-N 2 1 275.440 2.350 10 0 CEAEMP CC/C=C/CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184522120 270243445 /nfs/dbraw/zinc/24/34/45/270243445.db2.gz SBSUCZWHZIBMJS-NFAHFFEMSA-N 2 1 268.445 2.367 10 0 CEAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400489610 277907621 /nfs/dbraw/zinc/90/76/21/277907621.db2.gz YTJLXDAORYWNIO-SRVKXCTJSA-N 2 1 266.360 2.483 10 0 CEAEMP CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249089656 280383394 /nfs/dbraw/zinc/38/33/94/280383394.db2.gz CUKVBWHLPLCGGI-KGLIPLIRSA-N 2 1 256.434 2.200 10 0 CEAEMP Fc1ccc(Br)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258995971 280528354 /nfs/dbraw/zinc/52/83/54/280528354.db2.gz WKAWRWSEHUXRFQ-VIFPVBQESA-N 2 1 287.176 2.287 10 0 CEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC[NH+]1CCCCC1 ZINC000245437984 281199625 /nfs/dbraw/zinc/19/96/25/281199625.db2.gz RVVBDSTYCHGDGB-HOTGVXAUSA-N 2 1 265.445 2.031 10 0 CEAEMP Cc1[nH+]c2ccccc2c(NC[C@H]2C[NH+]3CCN2CC3)c1C ZINC000302098758 282075441 /nfs/dbraw/zinc/07/54/41/282075441.db2.gz UDQHZHRNPWVZCM-HNNXBMFYSA-N 2 1 296.418 2.263 10 0 CEAEMP CC(C)[C@H](C[NH2+]C1CC1)OCC[C@@H]1CCC[N@H+]1C ZINC000052672825 519815909 /nfs/dbraw/zinc/81/59/09/519815909.db2.gz VDAMRJJPJXCHET-GJZGRUSLSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000053012069 519950453 /nfs/dbraw/zinc/95/04/53/519950453.db2.gz SPBISZULNNCHSP-ZDUSSCGKSA-N 2 1 250.361 2.300 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000053012069 519950462 /nfs/dbraw/zinc/95/04/62/519950462.db2.gz SPBISZULNNCHSP-ZDUSSCGKSA-N 2 1 250.361 2.300 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000068641356 520140093 /nfs/dbraw/zinc/14/00/93/520140093.db2.gz NSHJCGDUVBOJNH-DYVFJYSZSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[N@@H+](CCOC)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052542678 521135470 /nfs/dbraw/zinc/13/54/70/521135470.db2.gz AOUFAVKRTSJEKY-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[C@](C)(C[NH2+]C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763310 521267559 /nfs/dbraw/zinc/26/75/59/521267559.db2.gz MRVUCFNKLCWGLA-HUUCEWRRSA-N 2 1 256.434 2.249 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCOC(C)(C)C2)O1 ZINC000052481897 518763310 /nfs/dbraw/zinc/76/33/10/518763310.db2.gz URBUUPSRHAZLFI-ZIAGYGMSSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382662 519726898 /nfs/dbraw/zinc/72/68/98/519726898.db2.gz CMILCUPKLDWBAJ-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000052382662 519726900 /nfs/dbraw/zinc/72/69/00/519726900.db2.gz CMILCUPKLDWBAJ-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)CN1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000055077568 519728603 /nfs/dbraw/zinc/72/86/03/519728603.db2.gz CBBJEKZAXYQOER-HOTGVXAUSA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2C)O1 ZINC000052376106 519746399 /nfs/dbraw/zinc/74/63/99/519746399.db2.gz DBWDRJPZWSNEHR-ZNMIVQPWSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)C[C@@H](C)[N@@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052571930 519772608 /nfs/dbraw/zinc/77/26/08/519772608.db2.gz PNEWZMFRMPEGJS-CQSZACIVSA-N 2 1 281.448 2.143 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH+](C)CC1 ZINC000054629328 519907798 /nfs/dbraw/zinc/90/77/98/519907798.db2.gz ZBTPUOHFKIMKRL-ALOPSCKCSA-N 3 1 279.472 2.323 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)COCC ZINC000054602832 519909690 /nfs/dbraw/zinc/90/96/90/519909690.db2.gz JGZILRVRZZDPIT-AVOUXACISA-N 2 1 254.418 2.406 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181438 519911884 /nfs/dbraw/zinc/91/18/84/519911884.db2.gz ONJNPPQPNFQOGW-AWEZNQCLSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654636 519913508 /nfs/dbraw/zinc/91/35/08/519913508.db2.gz HEEUAOHSUJBHTB-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593704 519924915 /nfs/dbraw/zinc/92/49/15/519924915.db2.gz GLQBWLQZJNPZBS-KBPBESRZSA-N 2 1 251.374 2.047 10 0 CEAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372894 519943550 /nfs/dbraw/zinc/94/35/50/519943550.db2.gz BKBCAQVADPUVPW-CYBMUJFWSA-N 2 1 250.386 2.373 10 0 CEAEMP CC[NH2+]C[C@@H](CC)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052416941 519944962 /nfs/dbraw/zinc/94/49/62/519944962.db2.gz SJTDUCPXZDOSSI-IAGOWNOFSA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@@H+](C)C2)s1 ZINC000054905571 519962665 /nfs/dbraw/zinc/96/26/65/519962665.db2.gz YCXZBMDUWMECEB-LBPRGKRZSA-N 2 1 282.457 2.173 10 0 CEAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541574 519970310 /nfs/dbraw/zinc/97/03/10/519970310.db2.gz ABVIMJWBXLVALD-ZDUSSCGKSA-N 2 1 250.386 2.373 10 0 CEAEMP CCC[NH2+]Cc1sc(N2CC[NH+](CC)CC2)nc1C ZINC000054994817 519975472 /nfs/dbraw/zinc/97/54/72/519975472.db2.gz XDVGKVOFPZLQPL-UHFFFAOYSA-N 2 1 282.457 2.093 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+]1CCC(CC)(CC)CC1)C(N)=O ZINC000062956414 519998552 /nfs/dbraw/zinc/99/85/52/519998552.db2.gz WKRREEOSCKDDAV-AWEZNQCLSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[NH2+]Cc1sc(N2CC[NH+](C3CC3)CC2)nc1CC ZINC000055002256 520035108 /nfs/dbraw/zinc/03/51/08/520035108.db2.gz ZNUKOUYKWJBKTE-UHFFFAOYSA-N 2 1 294.468 2.099 10 0 CEAEMP CCC[NH2+][C@H](C)CCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643382 520061370 /nfs/dbraw/zinc/06/13/70/520061370.db2.gz VMAFYDQXRFNLFM-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+][C@H](CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000062525922 520070277 /nfs/dbraw/zinc/07/02/77/520070277.db2.gz SPQNFEHHAWMRGL-YMAMQOFZSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@H](CC[N@@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000062525922 520070284 /nfs/dbraw/zinc/07/02/84/520070284.db2.gz SPQNFEHHAWMRGL-YMAMQOFZSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@H](C[N@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069075831 520080884 /nfs/dbraw/zinc/08/08/84/520080884.db2.gz NWOWHVPETJKHDT-DZGCQCFKSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@H](C[N@@H+](C)C[C@@H]1CCCOC1)C1CC1 ZINC000069075831 520080893 /nfs/dbraw/zinc/08/08/93/520080893.db2.gz NWOWHVPETJKHDT-DZGCQCFKSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[NH2+][C@H](C)CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000061268943 520165478 /nfs/dbraw/zinc/16/54/78/520165478.db2.gz YCAPGLVLSVNXOL-OAHLLOKOSA-N 2 1 291.439 2.013 10 0 CEAEMP CCCC[N@@H+](CCN1CCC[NH2+]CC1)[C@@H](C)CC ZINC000061275528 520508067 /nfs/dbraw/zinc/50/80/67/520508067.db2.gz JMGCEHBBUIQTIJ-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049182918 520738196 /nfs/dbraw/zinc/73/81/96/520738196.db2.gz TUYOIMVSOPTYKJ-QWHCGFSZSA-N 2 1 270.442 2.410 10 0 CEAEMP CC[N@@H+](Cc1cccc(C[NH2+]C)c1)[C@H](C)COC ZINC000052504740 521340077 /nfs/dbraw/zinc/34/00/77/521340077.db2.gz POFGTDAVUDQZPS-CYBMUJFWSA-N 2 1 250.386 2.263 10 0 CEAEMP CCC(CC)C[N@@H+](CC)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052540681 521520186 /nfs/dbraw/zinc/52/01/86/521520186.db2.gz NYQSIMYQZRZLEB-UHFFFAOYSA-N 2 1 293.459 2.288 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150107 521650592 /nfs/dbraw/zinc/65/05/92/521650592.db2.gz WPGJYKOHHMZZFL-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150107 521650594 /nfs/dbraw/zinc/65/05/94/521650594.db2.gz WPGJYKOHHMZZFL-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150107 521650599 /nfs/dbraw/zinc/65/05/99/521650599.db2.gz WPGJYKOHHMZZFL-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+]CC1(C[N@H+](C)Cc2ccccc2OC)CCOCC1 ZINC000052183085 521964903 /nfs/dbraw/zinc/96/49/03/521964903.db2.gz GRGPRHCWYUWGDF-UHFFFAOYSA-N 2 1 292.423 2.143 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccccc2OC)CCOCC1 ZINC000052183085 521964908 /nfs/dbraw/zinc/96/49/08/521964908.db2.gz GRGPRHCWYUWGDF-UHFFFAOYSA-N 2 1 292.423 2.143 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000052181015 521972440 /nfs/dbraw/zinc/97/24/40/521972440.db2.gz JJLGWCJHDNDZOY-UHFFFAOYSA-N 2 1 274.408 2.061 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CCCCCC2)O1 ZINC000052482116 522094182 /nfs/dbraw/zinc/09/41/82/522094182.db2.gz SAHHBMMCNGEABS-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573224 522108515 /nfs/dbraw/zinc/10/85/15/522108515.db2.gz AAPKNQJPLMVALH-HOTGVXAUSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573224 522108518 /nfs/dbraw/zinc/10/85/18/522108518.db2.gz AAPKNQJPLMVALH-HOTGVXAUSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1ccoc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417306 522142843 /nfs/dbraw/zinc/14/28/43/522142843.db2.gz BBRSBFNDMVFSKH-UHFFFAOYSA-N 2 1 285.391 2.321 10 0 CEAEMP C[NH2+]Cc1coc(C[N@@H+](CCN(C)C)CC(C)C)c1 ZINC000052503356 522148316 /nfs/dbraw/zinc/14/83/16/522148316.db2.gz YSUSPIHYGGPBHU-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP C[NH2+]Cc1coc(C[N@H+](CCN(C)C)CC(C)C)c1 ZINC000052503356 522148311 /nfs/dbraw/zinc/14/83/11/522148311.db2.gz YSUSPIHYGGPBHU-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP C[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648201 522419776 /nfs/dbraw/zinc/41/97/76/522419776.db2.gz PQVGRCANEKQHBI-ZQIUZPCESA-N 2 1 297.487 2.377 10 0 CEAEMP C[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648201 522419786 /nfs/dbraw/zinc/41/97/86/522419786.db2.gz PQVGRCANEKQHBI-ZQIUZPCESA-N 2 1 297.487 2.377 10 0 CEAEMP CC[C@@H](C[NH2+]C)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702404 522545636 /nfs/dbraw/zinc/54/56/36/522545636.db2.gz FLTNIKMIJKXCOU-HOTGVXAUSA-N 2 1 262.397 2.276 10 0 CEAEMP COCCC[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000062035511 523228557 /nfs/dbraw/zinc/22/85/57/523228557.db2.gz IXJSHOCCBASZGT-ILXRZTDVSA-N 2 1 256.434 2.354 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401740 523344282 /nfs/dbraw/zinc/34/42/82/523344282.db2.gz HPMKCPZTHYFORT-OAHLLOKOSA-N 2 1 294.370 2.202 10 0 CEAEMP COCC[N@@H+](C)CCn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000061380815 523618437 /nfs/dbraw/zinc/61/84/37/523618437.db2.gz KERRCHYEYKVBMN-AWEZNQCLSA-N 2 1 279.428 2.039 10 0 CEAEMP COCC[N@@H+](Cc1ccoc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052572353 523770415 /nfs/dbraw/zinc/77/04/15/523770415.db2.gz QRZJVIHLSQOSLM-CYBMUJFWSA-N 2 1 296.411 2.015 10 0 CEAEMP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125549 524204852 /nfs/dbraw/zinc/20/48/52/524204852.db2.gz JOKPHYFNVRZQMH-YHUYYLMFSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H](C[NH+]1CCCC1)[NH2+]CCCOCC(F)(F)F ZINC000049312457 524592143 /nfs/dbraw/zinc/59/21/43/524592143.db2.gz AZABGZLGARUWIW-NSHDSACASA-N 2 1 268.323 2.029 10 0 CEAEMP C[C@@H](c1cccs1)[N@H+](C)Cc1cc(C[NH3+])no1 ZINC000052506779 526144117 /nfs/dbraw/zinc/14/41/17/526144117.db2.gz HLQBUHZNCIOYAQ-VIFPVBQESA-N 2 1 251.355 2.388 10 0 CEAEMP C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(C[NH3+])no1 ZINC000052506779 526144125 /nfs/dbraw/zinc/14/41/25/526144125.db2.gz HLQBUHZNCIOYAQ-VIFPVBQESA-N 2 1 251.355 2.388 10 0 CEAEMP NC(=[NH2+])c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)ccn1 ZINC000068761260 526819153 /nfs/dbraw/zinc/81/91/53/526819153.db2.gz NFXRYHSXWKVMEE-UONOGXRCSA-N 2 1 272.396 2.378 10 0 CEAEMP [NH3+]Cc1sc2ccccc2c1C[NH+]1CCOCC1 ZINC000052377834 527268971 /nfs/dbraw/zinc/26/89/71/527268971.db2.gz NRONGWONNYPKSB-UHFFFAOYSA-N 2 1 262.378 2.192 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553162 623374601 /nfs/dbraw/zinc/37/46/01/623374601.db2.gz SESSNRWAFOAXPJ-WDSOQIARSA-N 2 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553162 623374616 /nfs/dbraw/zinc/37/46/16/623374616.db2.gz SESSNRWAFOAXPJ-WDSOQIARSA-N 3 1 299.462 2.239 10 0 CEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553162 623374625 /nfs/dbraw/zinc/37/46/25/623374625.db2.gz SESSNRWAFOAXPJ-WDSOQIARSA-N 3 1 299.462 2.239 10 0 CEAEMP CC/C=C(/C)C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000229785280 639720010 /nfs/dbraw/zinc/72/00/10/639720010.db2.gz UERRTPYFPMBVNY-XXUROBRHSA-N 2 1 293.455 2.052 10 0 CEAEMP c1coc([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000133567446 652665051 /nfs/dbraw/zinc/66/50/51/652665051.db2.gz NPRMFHVLQUQJMT-GJZGRUSLSA-N 2 1 277.412 2.148 10 0 CEAEMP C[C@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399178795 539263905 /nfs/dbraw/zinc/26/39/05/539263905.db2.gz KSTXQPHMMIAZTE-DZGCQCFKSA-N 2 1 254.418 2.002 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000679577854 539330746 /nfs/dbraw/zinc/33/07/46/539330746.db2.gz WGZKVTWBDTZCTL-HOTGVXAUSA-N 2 1 266.429 2.002 10 0 CEAEMP C[N@@H+](Cc1ccc(CO)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328652640 344757939 /nfs/dbraw/zinc/75/79/39/344757939.db2.gz WOBKIFCJZJIBNZ-INIZCTEOSA-N 2 1 285.391 2.070 10 0 CEAEMP C[N@H+](Cc1ccc(CO)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328652640 344757942 /nfs/dbraw/zinc/75/79/42/344757942.db2.gz WOBKIFCJZJIBNZ-INIZCTEOSA-N 2 1 285.391 2.070 10 0 CEAEMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)C1(C)C ZINC000085380407 179045771 /nfs/dbraw/zinc/04/57/71/179045771.db2.gz VCZOOTQPBAUGQQ-MJBXVCDLSA-N 2 1 256.434 2.366 10 0 CEAEMP COCCC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403709 179053354 /nfs/dbraw/zinc/05/33/54/179053354.db2.gz WCQJHBSOHRPHGF-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000085494598 179081757 /nfs/dbraw/zinc/08/17/57/179081757.db2.gz QGXFETNARZRIGE-CABCVRRESA-N 2 1 264.417 2.044 10 0 CEAEMP CC[C@@]1(C)C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000085471204 179076661 /nfs/dbraw/zinc/07/66/61/179076661.db2.gz DMMVUYYRNVBJJO-HNNXBMFYSA-N 2 1 264.417 2.044 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626604 179106666 /nfs/dbraw/zinc/10/66/66/179106666.db2.gz RBUAJFVMVWFMNX-QEJZJMRPSA-N 2 1 252.402 2.018 10 0 CEAEMP Cc1nccn1CC[N@@H+]1C[C@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621888 179105431 /nfs/dbraw/zinc/10/54/31/179105431.db2.gz YJNGXFGGIFMZNH-HOCLYGCPSA-N 2 1 278.444 2.290 10 0 CEAEMP CCCO[C@H]1CCC[N@H+]([C@@](CC)(CN)C2CC2)C1 ZINC000086120433 179234926 /nfs/dbraw/zinc/23/49/26/179234926.db2.gz PGLVEFLRXLCQOV-GJZGRUSLSA-N 2 1 254.418 2.395 10 0 CEAEMP CCCO[C@H]1CCC[N@H+]([C@@](CC)(C[NH3+])C2CC2)C1 ZINC000086120433 179234929 /nfs/dbraw/zinc/23/49/29/179234929.db2.gz PGLVEFLRXLCQOV-GJZGRUSLSA-N 2 1 254.418 2.395 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086146567 179238708 /nfs/dbraw/zinc/23/87/08/179238708.db2.gz YWEIMYMTVOOWJV-WMZOPIPTSA-N 2 1 287.451 2.363 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086146530 179238298 /nfs/dbraw/zinc/23/82/98/179238298.db2.gz BRTGOLDAYQMNII-MRXNPFEDSA-N 2 1 279.472 2.325 10 0 CEAEMP CC(C)[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C)[C@H](C(C)C)C[NH2+]1 ZINC000086173759 179244788 /nfs/dbraw/zinc/24/47/88/179244788.db2.gz CPGBFYFSCGXKOI-ULQDDVLXSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000086145727 179239260 /nfs/dbraw/zinc/23/92/60/179239260.db2.gz KGAZNWSCDHYSPJ-GOSISDBHSA-N 2 1 287.451 2.365 10 0 CEAEMP CC[NH+]1CCC(CN2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000086145727 179239263 /nfs/dbraw/zinc/23/92/63/179239263.db2.gz KGAZNWSCDHYSPJ-GOSISDBHSA-N 2 1 287.451 2.365 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225420 179252916 /nfs/dbraw/zinc/25/29/16/179252916.db2.gz GZKWTPSKMUPNGJ-HZPDHXFCSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225398 179253003 /nfs/dbraw/zinc/25/30/03/179253003.db2.gz MRSMMEGWSYUMEU-HOTGVXAUSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[C@H]1CN[C@@H](C2CC2)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086259160 179257888 /nfs/dbraw/zinc/25/78/88/179257888.db2.gz FJDUOXKXZZCJMJ-DLBZAZTESA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CC1CC[NH+](CC)CC1 ZINC000086259160 179257891 /nfs/dbraw/zinc/25/78/91/179257891.db2.gz FJDUOXKXZZCJMJ-DLBZAZTESA-N 2 1 279.472 2.181 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259224 179258588 /nfs/dbraw/zinc/25/85/88/179258588.db2.gz OLRRCYQUADKSIX-HYVNUMGLSA-N 2 1 279.472 2.037 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086291430 179265422 /nfs/dbraw/zinc/26/54/22/179265422.db2.gz OMTUTZQLRKPGDN-UHFFFAOYSA-N 3 1 279.472 2.326 10 0 CEAEMP CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261127 179260522 /nfs/dbraw/zinc/26/05/22/179260522.db2.gz NFFLNLIJHADBFD-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1CCCC[NH+](C)C ZINC000086261127 179260523 /nfs/dbraw/zinc/26/05/23/179260523.db2.gz NFFLNLIJHADBFD-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP COC[C@@H](C)[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086269642 179262242 /nfs/dbraw/zinc/26/22/42/179262242.db2.gz MWXSBNLVXHMONW-HIFRSBDPSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC1(CC)C[N@H+]([C@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287125 179264345 /nfs/dbraw/zinc/26/43/45/179264345.db2.gz RXFYWTXRWGXGSR-KGLIPLIRSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259076 179256775 /nfs/dbraw/zinc/25/67/75/179256775.db2.gz NQPQAPLILGUWNL-CVEARBPZSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086259076 179256777 /nfs/dbraw/zinc/25/67/77/179256777.db2.gz NQPQAPLILGUWNL-CVEARBPZSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@H](CC(C)C)C2)CC1 ZINC000086291493 179266420 /nfs/dbraw/zinc/26/64/20/179266420.db2.gz GYOIIMWWNGSTKD-QGZVFWFLSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@H](CC(C)C)C2)CC1 ZINC000086291493 179266422 /nfs/dbraw/zinc/26/64/22/179266422.db2.gz GYOIIMWWNGSTKD-QGZVFWFLSA-N 2 1 281.488 2.428 10 0 CEAEMP CC(C)[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293899 179267497 /nfs/dbraw/zinc/26/74/97/179267497.db2.gz AXJHDYMHGQFXAV-HOTGVXAUSA-N 2 1 274.408 2.310 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293899 179267498 /nfs/dbraw/zinc/26/74/98/179267498.db2.gz AXJHDYMHGQFXAV-HOTGVXAUSA-N 2 1 274.408 2.310 10 0 CEAEMP CC[C@H]1C[N@H+](CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298078 179269235 /nfs/dbraw/zinc/26/92/35/179269235.db2.gz NYFJQXLMMQSOBW-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[C@H]1C[N@@H+](CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298078 179269236 /nfs/dbraw/zinc/26/92/36/179269236.db2.gz NYFJQXLMMQSOBW-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP C[N@@H+](CCc1cccs1)Cc1cc[nH+]c(NN)c1 ZINC000086441615 179293069 /nfs/dbraw/zinc/29/30/69/179293069.db2.gz BQZLBFAYKVOBGQ-UHFFFAOYSA-N 2 1 262.382 2.103 10 0 CEAEMP C[C@@H]1CN([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000086466759 179297212 /nfs/dbraw/zinc/29/72/12/179297212.db2.gz UIDHHIIIXGQROD-SOLBZPMBSA-N 2 1 287.451 2.333 10 0 CEAEMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000086585496 179309821 /nfs/dbraw/zinc/30/98/21/179309821.db2.gz AHOHCJPLEOPUTR-GFCCVEGCSA-N 2 1 268.788 2.390 10 0 CEAEMP C[C@H](CNC1=[NH+]C[C@H](C)CS1)[NH+]1CCCCC1 ZINC000086633176 179314886 /nfs/dbraw/zinc/31/48/86/179314886.db2.gz MQTVXRKQYOXNHN-NWDGAFQWSA-N 2 1 255.431 2.189 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086817225 179344861 /nfs/dbraw/zinc/34/48/61/179344861.db2.gz GRZHGVURSRMQLL-AWEZNQCLSA-N 2 1 276.380 2.032 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847597 179356281 /nfs/dbraw/zinc/35/62/81/179356281.db2.gz BWZQKYBEZPHIJM-MRXNPFEDSA-N 2 1 279.428 2.305 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848500 179356387 /nfs/dbraw/zinc/35/63/87/179356387.db2.gz CKRPTXCUZPLFNX-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840342 179351592 /nfs/dbraw/zinc/35/15/92/179351592.db2.gz FQRDGFUMUBDEGL-HNNXBMFYSA-N 2 1 279.472 2.467 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840342 179351593 /nfs/dbraw/zinc/35/15/93/179351593.db2.gz FQRDGFUMUBDEGL-HNNXBMFYSA-N 2 1 279.472 2.467 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840342 179351594 /nfs/dbraw/zinc/35/15/94/179351594.db2.gz FQRDGFUMUBDEGL-HNNXBMFYSA-N 2 1 279.472 2.467 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843447 179353855 /nfs/dbraw/zinc/35/38/55/179353855.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843447 179353856 /nfs/dbraw/zinc/35/38/56/179353856.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086843447 179353858 /nfs/dbraw/zinc/35/38/58/179353858.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086843447 179353860 /nfs/dbraw/zinc/35/38/60/179353860.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086843447 179353861 /nfs/dbraw/zinc/35/38/61/179353861.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 2 1 265.445 2.077 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845188 179354584 /nfs/dbraw/zinc/35/45/84/179354584.db2.gz VAUPCHZIWCOFTD-LBPRGKRZSA-N 2 1 282.350 2.419 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868234 179360898 /nfs/dbraw/zinc/36/08/98/179360898.db2.gz YRUNYKAQJAZGOX-HNNXBMFYSA-N 2 1 254.418 2.144 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086867743 179361000 /nfs/dbraw/zinc/36/10/00/179361000.db2.gz XZNKHZJOFZTOBQ-GJZGRUSLSA-N 2 1 254.418 2.144 10 0 CEAEMP CC(=O)Nc1cccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616600250 348530165 /nfs/dbraw/zinc/53/01/65/348530165.db2.gz BAJDMBCARLMREA-CQSZACIVSA-N 2 1 275.396 2.173 10 0 CEAEMP CC(=O)Nc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616600250 348530169 /nfs/dbraw/zinc/53/01/69/348530169.db2.gz BAJDMBCARLMREA-CQSZACIVSA-N 2 1 275.396 2.173 10 0 CEAEMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753363 233181403 /nfs/dbraw/zinc/18/14/03/233181403.db2.gz WGVJDUNCFSRJLO-SZMVWBNQSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753363 233181404 /nfs/dbraw/zinc/18/14/04/233181404.db2.gz WGVJDUNCFSRJLO-SZMVWBNQSA-N 2 1 287.451 2.239 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000090566077 180006034 /nfs/dbraw/zinc/00/60/34/180006034.db2.gz VAHJOHBGKIIGNW-IRXDYDNUSA-N 2 1 276.424 2.441 10 0 CEAEMP C[C@]1(C[N@H+](Cc2ccsc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606765 180011375 /nfs/dbraw/zinc/01/13/75/180011375.db2.gz SACSYGVDKDDZCM-KBPBESRZSA-N 2 1 266.410 2.076 10 0 CEAEMP C[C@]1(C[N@@H+](Cc2ccsc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606765 180011377 /nfs/dbraw/zinc/01/13/77/180011377.db2.gz SACSYGVDKDDZCM-KBPBESRZSA-N 2 1 266.410 2.076 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694533 180026184 /nfs/dbraw/zinc/02/61/84/180026184.db2.gz XBUIKRUFSKTOEF-SQWLQELKSA-N 2 1 295.471 2.144 10 0 CEAEMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000090773159 180037960 /nfs/dbraw/zinc/03/79/60/180037960.db2.gz JPPGLVQJZLPJQS-HZPDHXFCSA-N 2 1 297.487 2.343 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[N@H+](CCC[NH3+])C(C)C)O2 ZINC000090896977 180057044 /nfs/dbraw/zinc/05/70/44/180057044.db2.gz LNZIEPNBPOBYAM-HNNXBMFYSA-N 2 1 262.397 2.358 10 0 CEAEMP [NH3+]C1CC[NH+](C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900026 180059156 /nfs/dbraw/zinc/05/91/56/180059156.db2.gz ZEECPTUVBWRXNR-ZDUSSCGKSA-N 2 1 266.772 2.067 10 0 CEAEMP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958812 180075266 /nfs/dbraw/zinc/07/52/66/180075266.db2.gz DMBPZBSTJMFWHH-GHMZBOCLSA-N 2 1 253.415 2.265 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000090960504 180075495 /nfs/dbraw/zinc/07/54/95/180075495.db2.gz JNOQTSMGAPBOPW-GFCCVEGCSA-N 2 1 281.425 2.138 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000090960504 180075496 /nfs/dbraw/zinc/07/54/96/180075496.db2.gz JNOQTSMGAPBOPW-GFCCVEGCSA-N 2 1 281.425 2.138 10 0 CEAEMP CCn1c[nH+]cc1Cn1cc(C[NH3+])c2ccccc21 ZINC000090995075 180082686 /nfs/dbraw/zinc/08/26/86/180082686.db2.gz UPGZCTXFBHLXEJ-UHFFFAOYSA-N 2 1 254.337 2.365 10 0 CEAEMP C[NH2+]Cc1cccn1Cc1[nH+]cc(C)c(OC)c1C ZINC000090995689 180082934 /nfs/dbraw/zinc/08/29/34/180082934.db2.gz ZCQKPMHKSKPURT-UHFFFAOYSA-N 2 1 259.353 2.276 10 0 CEAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019732 180087885 /nfs/dbraw/zinc/08/78/85/180087885.db2.gz DUTBIGTUQHOLAZ-VXGBXAGGSA-N 2 1 258.369 2.122 10 0 CEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019759 180088090 /nfs/dbraw/zinc/08/80/90/180088090.db2.gz AIXBXWJPZJSOMR-NEPJUHHUSA-N 2 1 258.369 2.122 10 0 CEAEMP C[N@H+](Cc1ccc2ccccc2n1)CC1CC([NH3+])C1 ZINC000091477728 180165933 /nfs/dbraw/zinc/16/59/33/180165933.db2.gz WZLZLKONVUKUGZ-UHFFFAOYSA-N 2 1 255.365 2.404 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091499444 180173852 /nfs/dbraw/zinc/17/38/52/180173852.db2.gz YJKYDWIGCQDHNH-UHFFFAOYSA-N 2 1 282.472 2.495 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000091405126 180147247 /nfs/dbraw/zinc/14/72/47/180147247.db2.gz MXSVLKOZIMILKM-ZDUSSCGKSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000091405065 180147492 /nfs/dbraw/zinc/14/74/92/180147492.db2.gz FRFMGCUARKASDX-LSDHHAIUSA-N 2 1 269.477 2.284 10 0 CEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCCCC1 ZINC000091568147 180194904 /nfs/dbraw/zinc/19/49/04/180194904.db2.gz CALJTIMCOSPZNM-OAHLLOKOSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@H](Cc1ncnn1CCC)[C@](C)(CC)[NH+](C)C ZINC000091572203 180196363 /nfs/dbraw/zinc/19/63/63/180196363.db2.gz QGLHIAVRJJSVIB-ZBFHGGJFSA-N 2 1 295.475 2.329 10 0 CEAEMP CC[C@@](C)([C@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609747 180205976 /nfs/dbraw/zinc/20/59/76/180205976.db2.gz LHRNBRIKZZXRPL-RDJZCZTQSA-N 2 1 290.455 2.449 10 0 CEAEMP CCCN(c1cc[nH+]c(N(C)C)n1)C1CCC([NH3+])CC1 ZINC000091852780 180272741 /nfs/dbraw/zinc/27/27/41/180272741.db2.gz KXLWWROBPUVZIB-UHFFFAOYSA-N 2 1 277.416 2.029 10 0 CEAEMP CCC[N@@H+](Cc1nccn1CC)C1CCC([NH3+])CC1 ZINC000091852627 180272770 /nfs/dbraw/zinc/27/27/70/180272770.db2.gz ITMYXOCQXXZMNQ-UHFFFAOYSA-N 2 1 264.417 2.385 10 0 CEAEMP CCC[N@@H+](C[C@@H](C)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852399 180273174 /nfs/dbraw/zinc/27/31/74/180273174.db2.gz DASXJJCJZZAXNH-IYXRBSQSSA-N 2 1 270.417 2.168 10 0 CEAEMP CC[C@@H]([NH3+])c1ccn(C[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000091816428 180261706 /nfs/dbraw/zinc/26/17/06/180261706.db2.gz NMHRGXUJUSDFCY-HUUCEWRRSA-N 2 1 265.401 2.007 10 0 CEAEMP CC[C@H]([NH3+])c1ccn(C[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000091816429 180262099 /nfs/dbraw/zinc/26/20/99/180262099.db2.gz NMHRGXUJUSDFCY-GJZGRUSLSA-N 2 1 265.401 2.007 10 0 CEAEMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091844003 180269128 /nfs/dbraw/zinc/26/91/28/180269128.db2.gz LAYPZJAHGSFMDH-WUCCLRPBSA-N 2 1 254.418 2.392 10 0 CEAEMP Cc1ccc(F)cc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847191 180270391 /nfs/dbraw/zinc/27/03/91/180270391.db2.gz HCVVVHRLWAOSHW-UHFFFAOYSA-N 2 1 293.386 2.274 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H]2COc3cc(O)ccc32)CC1 ZINC000091870945 180277183 /nfs/dbraw/zinc/27/71/83/180277183.db2.gz UYGWCGPPTWUGOF-QOZQQMKHSA-N 2 1 276.380 2.288 10 0 CEAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870684 180277333 /nfs/dbraw/zinc/27/73/33/180277333.db2.gz FEGSERYYOIPNBV-IYXRBSQSSA-N 2 1 283.460 2.142 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CCCOCC(F)(F)F)CC1 ZINC000091870481 180277559 /nfs/dbraw/zinc/27/75/59/180277559.db2.gz WORGLMUKOYKGGS-UHFFFAOYSA-N 2 1 282.350 2.418 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922723 180286901 /nfs/dbraw/zinc/28/69/01/180286901.db2.gz APJXZTRVICKPNR-HNNXBMFYSA-N 2 1 254.418 2.131 10 0 CEAEMP CC[NH2+]Cc1cccc2c1ccn2C[C@@H]1C[N@@H+](C)CCO1 ZINC000092060165 180315148 /nfs/dbraw/zinc/31/51/48/180315148.db2.gz RPTKSDOIWTZKDP-HNNXBMFYSA-N 2 1 287.407 2.081 10 0 CEAEMP C[NH2+]C1(CCN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000092005507 180305584 /nfs/dbraw/zinc/30/55/84/180305584.db2.gz QYZBKGVTDLPMBW-CVEARBPZSA-N 2 1 279.472 2.467 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300545 180358442 /nfs/dbraw/zinc/35/84/42/180358442.db2.gz UMEQQQYGCFNRTD-LSDHHAIUSA-N 2 1 274.408 2.483 10 0 CEAEMP Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000092328422 180362687 /nfs/dbraw/zinc/36/26/87/180362687.db2.gz LCEBSIPDPWGTGY-MFKMUULPSA-N 2 1 251.374 2.426 10 0 CEAEMP Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000092328422 180362689 /nfs/dbraw/zinc/36/26/89/180362689.db2.gz LCEBSIPDPWGTGY-MFKMUULPSA-N 2 1 251.374 2.426 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC2=[NH+][C@@H](C(C)C)CS2)C1 ZINC000092402330 180377373 /nfs/dbraw/zinc/37/73/73/180377373.db2.gz YUJFFHPFXLEFAJ-VXGBXAGGSA-N 2 1 255.431 2.188 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685174 186268971 /nfs/dbraw/zinc/26/89/71/186268971.db2.gz ZSIYNJVHMMKYCT-GBJTYRQASA-N 2 1 282.428 2.168 10 0 CEAEMP C(C[C@@H]1CCC[NH2+]C1)C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000110371289 186294665 /nfs/dbraw/zinc/29/46/65/186294665.db2.gz AQJLOTMRBDPUEP-DLBZAZTESA-N 2 1 279.472 2.326 10 0 CEAEMP C(C[C@@H]1CCC[NH2+]C1)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110371289 186294666 /nfs/dbraw/zinc/29/46/66/186294666.db2.gz AQJLOTMRBDPUEP-DLBZAZTESA-N 2 1 279.472 2.326 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1C[NH3+] ZINC000110459597 186296875 /nfs/dbraw/zinc/29/68/75/186296875.db2.gz IOFFOPVWDWDOGK-NSHDSACASA-N 2 1 267.804 2.187 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705205 186315040 /nfs/dbraw/zinc/31/50/40/186315040.db2.gz YQDXANILDQAXLV-IUODEOHRSA-N 2 1 279.403 2.240 10 0 CEAEMP COc1ccc([C@@H](C)[NH3+])cc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716951 186315419 /nfs/dbraw/zinc/31/54/19/186315419.db2.gz AEVBDDHLAKYACG-CYBMUJFWSA-N 2 1 291.439 2.241 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717341 186315454 /nfs/dbraw/zinc/31/54/54/186315454.db2.gz JCRKTGOWYGNBMN-LSDHHAIUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)CC[C@@](C)(C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711974 186316245 /nfs/dbraw/zinc/31/62/45/186316245.db2.gz WQQLLVVPASEGCT-HNNXBMFYSA-N 2 1 255.450 2.166 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CC[N@H+]1C ZINC000110710276 186316760 /nfs/dbraw/zinc/31/67/60/186316760.db2.gz KKBVZETZPRBUNP-XIRDDKMYSA-N 2 1 275.440 2.143 10 0 CEAEMP CC[C@@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CC[N@H+]1C ZINC000110722305 186318240 /nfs/dbraw/zinc/31/82/40/186318240.db2.gz VDBLWUKSICUDKZ-CABCVRRESA-N 2 1 274.412 2.080 10 0 CEAEMP CC[C@H]1CN(CC[NH2+]CCCC(C)C)CC[N@H+]1C ZINC000110757485 186321745 /nfs/dbraw/zinc/32/17/45/186321745.db2.gz QRHYMDIBKAURDH-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP COc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111156247 186361763 /nfs/dbraw/zinc/36/17/63/186361763.db2.gz MBRFBOXSRHTNRD-SUMWQHHRSA-N 2 1 292.423 2.442 10 0 CEAEMP COc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111156247 186361764 /nfs/dbraw/zinc/36/17/64/186361764.db2.gz MBRFBOXSRHTNRD-SUMWQHHRSA-N 2 1 292.423 2.442 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160599 186362553 /nfs/dbraw/zinc/36/25/53/186362553.db2.gz FAJKZQIXTNLWJM-RRFJBIMHSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160599 186362554 /nfs/dbraw/zinc/36/25/54/186362554.db2.gz FAJKZQIXTNLWJM-RRFJBIMHSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[N@@H+](C[C@@]1(C[NH2+]CC)CCCOC1)C1CC1 ZINC000111324926 186398577 /nfs/dbraw/zinc/39/85/77/186398577.db2.gz DPKMHYWGDLUEBJ-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[N@@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324936 186398748 /nfs/dbraw/zinc/39/87/48/186398748.db2.gz XDCFJVVQHFCSFA-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cccc(C)c2)C[C@@H]1C ZINC000111237341 186373215 /nfs/dbraw/zinc/37/32/15/186373215.db2.gz RCOZYUWGMZRFDU-HOCLYGCPSA-N 2 1 261.413 2.021 10 0 CEAEMP CO[C@H]1C[N@H+](CCCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364366 351712985 /nfs/dbraw/zinc/71/29/85/351712985.db2.gz UZVQLTMRCARUCM-CVEARBPZSA-N 2 1 262.397 2.057 10 0 CEAEMP CO[C@H]1C[N@@H+](CCCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364366 351712987 /nfs/dbraw/zinc/71/29/87/351712987.db2.gz UZVQLTMRCARUCM-CVEARBPZSA-N 2 1 262.397 2.057 10 0 CEAEMP CO[C@@H]1C[N@H+](CCCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364369 351713556 /nfs/dbraw/zinc/71/35/56/351713556.db2.gz UZVQLTMRCARUCM-JKSUJKDBSA-N 2 1 262.397 2.057 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364369 351713558 /nfs/dbraw/zinc/71/35/58/351713558.db2.gz UZVQLTMRCARUCM-JKSUJKDBSA-N 2 1 262.397 2.057 10 0 CEAEMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151313526 366638870 /nfs/dbraw/zinc/63/88/70/366638870.db2.gz VHCVHXAGSKMRCS-HZPDHXFCSA-N 2 1 276.424 2.492 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000177133447 189031505 /nfs/dbraw/zinc/03/15/05/189031505.db2.gz LNVQPTFSTBCBFP-CABCVRRESA-N 2 1 291.439 2.167 10 0 CEAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]cc3Br)C[C@H]21 ZINC000229262760 283588121 /nfs/dbraw/zinc/58/81/21/283588121.db2.gz DTCZMJTZOZWVJY-HOSYDEDBSA-N 2 1 296.212 2.408 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000092813345 364110640 /nfs/dbraw/zinc/11/06/40/364110640.db2.gz FXOZTPSHIPPRMZ-HNNXBMFYSA-N 2 1 287.407 2.471 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000092813345 364110642 /nfs/dbraw/zinc/11/06/42/364110642.db2.gz FXOZTPSHIPPRMZ-HNNXBMFYSA-N 2 1 287.407 2.471 10 0 CEAEMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(Br)c1 ZINC000095072268 364332334 /nfs/dbraw/zinc/33/23/34/364332334.db2.gz QDBBYYBANVQLMT-QWRGUYRKSA-N 2 1 284.201 2.204 10 0 CEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000175054902 368093707 /nfs/dbraw/zinc/09/37/07/368093707.db2.gz RVVBDSTYCHGDGB-HZPDHXFCSA-N 2 1 265.445 2.031 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000246341882 370947613 /nfs/dbraw/zinc/94/76/13/370947613.db2.gz LNVQPTFSTBCBFP-HUUCEWRRSA-N 2 1 291.439 2.167 10 0 CEAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccccn2)C1 ZINC000190483491 369627708 /nfs/dbraw/zinc/62/77/08/369627708.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 2 1 296.418 2.431 10 0 CEAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000190483491 369627711 /nfs/dbraw/zinc/62/77/11/369627711.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 2 1 296.418 2.431 10 0 CEAEMP CN(C)CCC[NH+]1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000219254077 370221237 /nfs/dbraw/zinc/22/12/37/370221237.db2.gz ATYMCAUVEHAAGE-UHFFFAOYSA-N 2 1 289.467 2.222 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231670190 370487136 /nfs/dbraw/zinc/48/71/36/370487136.db2.gz IXWOIHFAIPYBNF-CYBMUJFWSA-N 2 1 293.386 2.228 10 0 CEAEMP CCCCOC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248650255 371230306 /nfs/dbraw/zinc/23/03/06/371230306.db2.gz LXDMCDGOSQYJHO-IAGOWNOFSA-N 2 1 298.471 2.114 10 0 CEAEMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261590909 371667272 /nfs/dbraw/zinc/66/72/72/371667272.db2.gz LSJRUEXVVVLBGM-NWANDNLSSA-N 2 1 260.381 2.173 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@H]12 ZINC000261743653 371717521 /nfs/dbraw/zinc/71/75/21/371717521.db2.gz MGNQVTSCIAADGG-KGYLQXTDSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@H]12 ZINC000261743653 371717525 /nfs/dbraw/zinc/71/75/25/371717525.db2.gz MGNQVTSCIAADGG-KGYLQXTDSA-N 2 1 282.334 2.457 10 0 CEAEMP CC(C)[C@H](c1ccccc1)N(C)Cc1noc(C[NH3+])n1 ZINC000261661238 371696005 /nfs/dbraw/zinc/69/60/05/371696005.db2.gz GYVPNJZEZQKNOD-OAHLLOKOSA-N 2 1 274.368 2.357 10 0 CEAEMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261992557 371791809 /nfs/dbraw/zinc/79/18/09/371791809.db2.gz SWZISMBYKYLIJE-KZNAEPCWSA-N 2 1 288.435 2.284 10 0 CEAEMP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261882701 371760775 /nfs/dbraw/zinc/76/07/75/371760775.db2.gz FNLIPDBSCRCKDT-ZNMIVQPWSA-N 2 1 280.437 2.037 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccnn3-c3ccccc3)C[C@@H]12 ZINC000261821307 371742087 /nfs/dbraw/zinc/74/20/87/371742087.db2.gz IKVMPMFLYWFRIL-IAOVAPTHSA-N 2 1 282.391 2.041 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@@H]12 ZINC000261821307 371742091 /nfs/dbraw/zinc/74/20/91/371742091.db2.gz IKVMPMFLYWFRIL-IAOVAPTHSA-N 2 1 282.391 2.041 10 0 CEAEMP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094459675 184804233 /nfs/dbraw/zinc/80/42/33/184804233.db2.gz KNYIANHCDLDORX-BPQIPLTHSA-N 2 1 285.435 2.042 10 0 CEAEMP CC[N@H+](Cc1ccc(O)c(OC)c1)CC1CC[NH2+]CC1 ZINC000094011342 184750310 /nfs/dbraw/zinc/75/03/10/184750310.db2.gz BOMXCHHTAQURHB-UHFFFAOYSA-N 2 1 278.396 2.222 10 0 CEAEMP CC(C)[N@@H+](CC[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000094025998 184751883 /nfs/dbraw/zinc/75/18/83/184751883.db2.gz XTSXDVWVFUPTKX-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@]1(C[NH2+][C@]2(C[NH3+])CCCCC2(C)C)CCCO1 ZINC000094799956 184867982 /nfs/dbraw/zinc/86/79/82/184867982.db2.gz FUCXWIPVLBRGBM-GJZGRUSLSA-N 2 1 254.418 2.443 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1 ZINC000094444590 135088537 /nfs/dbraw/zinc/08/85/37/135088537.db2.gz LTIYQZSKTVJUQE-WMLDXEAASA-N 2 1 273.424 2.251 10 0 CEAEMP CO[C@H](C)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000182183469 395237612 /nfs/dbraw/zinc/23/76/12/395237612.db2.gz QGBOSHYIJFGFOQ-KGLIPLIRSA-N 2 1 263.385 2.159 10 0 CEAEMP CO[C@H](C)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000182183469 395237615 /nfs/dbraw/zinc/23/76/15/395237615.db2.gz QGBOSHYIJFGFOQ-KGLIPLIRSA-N 2 1 263.385 2.159 10 0 CEAEMP c1ccc2c(c1)cc[nH+]c2NC[C@H]1C[NH2+]CCCO1 ZINC000389799566 400538442 /nfs/dbraw/zinc/53/84/42/400538442.db2.gz JWKHAQCAHBLWJF-CYBMUJFWSA-N 2 1 257.337 2.025 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)[C@H](C)CC)C12CCOCC2 ZINC000249031061 286386333 /nfs/dbraw/zinc/38/63/33/286386333.db2.gz SLZBXNYFYQNUDG-OWCLPIDISA-N 2 1 298.471 2.281 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)[C@H](C)CC)C12CCOCC2 ZINC000249031061 286386334 /nfs/dbraw/zinc/38/63/34/286386334.db2.gz SLZBXNYFYQNUDG-OWCLPIDISA-N 2 1 298.471 2.281 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000180122641 165297260 /nfs/dbraw/zinc/29/72/60/165297260.db2.gz OIFPVUJAKHUTJJ-GFCCVEGCSA-N 2 1 262.382 2.313 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000180122641 165297261 /nfs/dbraw/zinc/29/72/61/165297261.db2.gz OIFPVUJAKHUTJJ-GFCCVEGCSA-N 2 1 262.382 2.313 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])[C@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000020260531 171117282 /nfs/dbraw/zinc/11/72/82/171117282.db2.gz LFZWFZJYTMTLHW-HOCLYGCPSA-N 2 1 261.413 2.021 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC000040593425 174347496 /nfs/dbraw/zinc/34/74/96/174347496.db2.gz JIGIEJYFNAUOBE-HNNXBMFYSA-N 2 1 290.407 2.279 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC000040593425 174347497 /nfs/dbraw/zinc/34/74/97/174347497.db2.gz JIGIEJYFNAUOBE-HNNXBMFYSA-N 2 1 290.407 2.279 10 0 CEAEMP C[N@@H+]1CCC[C@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000040715774 174382638 /nfs/dbraw/zinc/38/26/38/174382638.db2.gz DEGPAPMAOCBLBA-NSHDSACASA-N 2 1 256.353 2.323 10 0 CEAEMP C[N@H+]1CCC[C@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000040715774 174382639 /nfs/dbraw/zinc/38/26/39/174382639.db2.gz DEGPAPMAOCBLBA-NSHDSACASA-N 2 1 256.353 2.323 10 0 CEAEMP C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000040717010 174384170 /nfs/dbraw/zinc/38/41/70/174384170.db2.gz YSGSXQMYODZMRA-CYBMUJFWSA-N 2 1 275.396 2.206 10 0 CEAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1nccn1C ZINC000040769341 174399339 /nfs/dbraw/zinc/39/93/39/174399339.db2.gz JURFRIGGNOCUNC-FKEKPDDDSA-N 2 1 290.455 2.061 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1nccn1C ZINC000040769341 174399340 /nfs/dbraw/zinc/39/93/40/174399340.db2.gz JURFRIGGNOCUNC-FKEKPDDDSA-N 2 1 290.455 2.061 10 0 CEAEMP CC(C)C[N@@H+](C[C@@H](O)COc1ccc(C[NH3+])cc1)C1CC1 ZINC000042554616 174792016 /nfs/dbraw/zinc/79/20/16/174792016.db2.gz LLWOPGXHFWIDHT-MRXNPFEDSA-N 2 1 292.423 2.005 10 0 CEAEMP c1cn(CCC[NH2+][C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000043325029 175007248 /nfs/dbraw/zinc/00/72/48/175007248.db2.gz NBWHECLTWIOJPT-HNNXBMFYSA-N 2 1 257.381 2.373 10 0 CEAEMP CCCCC[N@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043889332 175117836 /nfs/dbraw/zinc/11/78/36/175117836.db2.gz JOGLNMORHFMIBT-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CCCCC[N@@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043889332 175117837 /nfs/dbraw/zinc/11/78/37/175117837.db2.gz JOGLNMORHFMIBT-LSDHHAIUSA-N 2 1 284.444 2.382 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900039 175121881 /nfs/dbraw/zinc/12/18/81/175121881.db2.gz QJIISSCGMZMPJZ-FZKCQIBNSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900039 175121882 /nfs/dbraw/zinc/12/18/82/175121882.db2.gz QJIISSCGMZMPJZ-FZKCQIBNSA-N 2 1 266.429 2.266 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903812 175122374 /nfs/dbraw/zinc/12/23/74/175122374.db2.gz HBSDFTPGKDHSLH-SOUVJXGZSA-N 2 1 282.428 2.135 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@H+](CC)CC(CC)CC)C(N)=O ZINC000045277855 175348022 /nfs/dbraw/zinc/34/80/22/175348022.db2.gz VSESBIAVOBLPME-MRXNPFEDSA-N 2 1 285.476 2.378 10 0 CEAEMP CCC[NH2+][C@](C)(CC[N@@H+](CC)CC(CC)CC)C(N)=O ZINC000045277855 175348023 /nfs/dbraw/zinc/34/80/23/175348023.db2.gz VSESBIAVOBLPME-MRXNPFEDSA-N 2 1 285.476 2.378 10 0 CEAEMP CC[NH2+][C@@](C)(CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281155 175351675 /nfs/dbraw/zinc/35/16/75/175351675.db2.gz DYTVMWBIKATOFB-XUJLQICISA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281155 175351676 /nfs/dbraw/zinc/35/16/76/175351676.db2.gz DYTVMWBIKATOFB-XUJLQICISA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[NH+](CC)CC)C(=O)OCC ZINC000045375844 175366206 /nfs/dbraw/zinc/36/62/06/175366206.db2.gz GVMMSIMDFPMJGH-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(N)=O ZINC000045379167 175368378 /nfs/dbraw/zinc/36/83/78/175368378.db2.gz XOMWARGQGMYNPD-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)CC(C)C ZINC000045380832 175370466 /nfs/dbraw/zinc/37/04/66/175370466.db2.gz BLEDUQVYGBKOBD-AWEZNQCLSA-N 2 1 258.406 2.025 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045383719 175370907 /nfs/dbraw/zinc/37/09/07/175370907.db2.gz WMTQOTDOEAQLFA-HNNXBMFYSA-N 2 1 271.449 2.129 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384864 175371683 /nfs/dbraw/zinc/37/16/83/175371683.db2.gz CURIYLLYLUIAHD-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384864 175371685 /nfs/dbraw/zinc/37/16/85/175371685.db2.gz CURIYLLYLUIAHD-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC000070359228 175888723 /nfs/dbraw/zinc/88/87/23/175888723.db2.gz STGHYPYAJOMDLE-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000071124752 176034953 /nfs/dbraw/zinc/03/49/53/176034953.db2.gz FLYTVIGXTXNBTF-BBWFWOEESA-N 2 1 279.472 2.454 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+](CCOC)C2CC2)C1 ZINC000071123982 176035419 /nfs/dbraw/zinc/03/54/19/176035419.db2.gz HWJPUQGDPCVPBB-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000071141908 176040097 /nfs/dbraw/zinc/04/00/97/176040097.db2.gz CXJIRMIYHMSOOM-NWDGAFQWSA-N 2 1 262.353 2.018 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000071141908 176040099 /nfs/dbraw/zinc/04/00/99/176040099.db2.gz CXJIRMIYHMSOOM-NWDGAFQWSA-N 2 1 262.353 2.018 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CCc2ccc(O)cc2)C1 ZINC000071141942 176040125 /nfs/dbraw/zinc/04/01/25/176040125.db2.gz WDSFHQFVRIGGBC-DZGCQCFKSA-N 2 1 262.397 2.255 10 0 CEAEMP C[C@H]1CCC[C@@H]([N@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147425 176043254 /nfs/dbraw/zinc/04/32/54/176043254.db2.gz MALFUXHMXQYHQQ-JKSUJKDBSA-N 2 1 267.461 2.312 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC000071148756 176044782 /nfs/dbraw/zinc/04/47/82/176044782.db2.gz XZZPEBJXMBBRSS-UHFFFAOYSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[C@H]1CCC[C@H]([N@@H+](CCOC)CCC(N)=[NH2+])C1 ZINC000071149876 176045315 /nfs/dbraw/zinc/04/53/15/176045315.db2.gz KCLXJUHSDJZLQS-STQMWFEESA-N 2 1 255.406 2.230 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188077 176061944 /nfs/dbraw/zinc/06/19/44/176061944.db2.gz DRDSOOVJWFFGEJ-XJKCOSOUSA-N 2 1 279.403 2.098 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188912 176063408 /nfs/dbraw/zinc/06/34/08/176063408.db2.gz VEKYICADVUSPIG-JJXSEGSLSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1CC(C)(C)C[C@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188585 176063924 /nfs/dbraw/zinc/06/39/24/176063924.db2.gz WNXOOXYZJWDQHR-ZMSDIMECSA-N 2 1 281.488 2.414 10 0 CEAEMP COc1ccc([C@@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190641 176068418 /nfs/dbraw/zinc/06/84/18/176068418.db2.gz PLAVFWITHWRGIC-VBQJREDUSA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190641 176068420 /nfs/dbraw/zinc/06/84/20/176068420.db2.gz PLAVFWITHWRGIC-VBQJREDUSA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190641 176068421 /nfs/dbraw/zinc/06/84/21/176068421.db2.gz PLAVFWITHWRGIC-VBQJREDUSA-N 2 1 292.423 2.001 10 0 CEAEMP CC(C)C[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000071191670 176072083 /nfs/dbraw/zinc/07/20/83/176072083.db2.gz PTJLJLTXPCYDPR-MRXNPFEDSA-N 2 1 290.455 2.215 10 0 CEAEMP C[C@H](CNc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192183 176073048 /nfs/dbraw/zinc/07/30/48/176073048.db2.gz OASFJAVELCVBDM-HUUCEWRRSA-N 2 1 261.413 2.371 10 0 CEAEMP C[C@H](CNc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192183 176073049 /nfs/dbraw/zinc/07/30/49/176073049.db2.gz OASFJAVELCVBDM-HUUCEWRRSA-N 2 1 261.413 2.371 10 0 CEAEMP C[C@H](CNc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192183 176073050 /nfs/dbraw/zinc/07/30/50/176073050.db2.gz OASFJAVELCVBDM-HUUCEWRRSA-N 2 1 261.413 2.371 10 0 CEAEMP CN(CC[NH2+]C1CCCCCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192277 176073581 /nfs/dbraw/zinc/07/35/81/176073581.db2.gz LAXJQYIYPUVUOT-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+][C@H]1CCCN(CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000071198158 176077061 /nfs/dbraw/zinc/07/70/61/176077061.db2.gz XJBPBQUAZAFAGS-KRWDZBQOSA-N 2 1 275.440 2.192 10 0 CEAEMP Cc1ncsc1C[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000071213594 176085120 /nfs/dbraw/zinc/08/51/20/176085120.db2.gz GWWSLLRXZKZFSF-YOGCLGLASA-N 2 1 251.399 2.296 10 0 CEAEMP Cc1ncsc1C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000071213594 176085122 /nfs/dbraw/zinc/08/51/22/176085122.db2.gz GWWSLLRXZKZFSF-YOGCLGLASA-N 2 1 251.399 2.296 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250546 176095083 /nfs/dbraw/zinc/09/50/83/176095083.db2.gz AKGBGQSFIGVNTO-ABAIWWIYSA-N 2 1 266.360 2.284 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250546 176095084 /nfs/dbraw/zinc/09/50/84/176095084.db2.gz AKGBGQSFIGVNTO-ABAIWWIYSA-N 2 1 266.360 2.284 10 0 CEAEMP CCN1CCC([N@H+](C)Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263516 176096512 /nfs/dbraw/zinc/09/65/12/176096512.db2.gz UITCOKRARRNWKD-UHFFFAOYSA-N 2 1 279.403 2.201 10 0 CEAEMP CCN1CCC([N@@H+](C)Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263516 176096514 /nfs/dbraw/zinc/09/65/14/176096514.db2.gz UITCOKRARRNWKD-UHFFFAOYSA-N 2 1 279.403 2.201 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)Cc1ccc(F)cc1C[NH3+] ZINC000071263538 176096532 /nfs/dbraw/zinc/09/65/32/176096532.db2.gz GEMQOHBNMYIZMS-UHFFFAOYSA-N 2 1 281.419 2.304 10 0 CEAEMP CC(C)CN(CC[NH+](C)C)Cc1ccc(F)cc1C[NH3+] ZINC000071263538 176096533 /nfs/dbraw/zinc/09/65/33/176096533.db2.gz GEMQOHBNMYIZMS-UHFFFAOYSA-N 2 1 281.419 2.304 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000071263601 176096568 /nfs/dbraw/zinc/09/65/68/176096568.db2.gz QNXWJLYYADFPIZ-UHFFFAOYSA-N 2 1 288.366 2.279 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C[NH3+])CC(C)(C)O1 ZINC000071263566 176096602 /nfs/dbraw/zinc/09/66/02/176096602.db2.gz PJSXULFSKSMIGJ-LLVKDONJSA-N 2 1 266.360 2.284 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C[NH3+])CC(C)(C)O1 ZINC000071263566 176096604 /nfs/dbraw/zinc/09/66/04/176096604.db2.gz PJSXULFSKSMIGJ-LLVKDONJSA-N 2 1 266.360 2.284 10 0 CEAEMP C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267602 176100971 /nfs/dbraw/zinc/10/09/71/176100971.db2.gz BMSDHWXLKVCLAT-UHFFFAOYSA-N 2 1 286.354 2.179 10 0 CEAEMP CCOC(=O)CCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000071297826 176112472 /nfs/dbraw/zinc/11/24/72/176112472.db2.gz PMEDHKODPJJQTN-UONOGXRCSA-N 2 1 270.417 2.169 10 0 CEAEMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000071344220 176131165 /nfs/dbraw/zinc/13/11/65/176131165.db2.gz PGIKQMYDZATRFY-OAHLLOKOSA-N 2 1 261.413 2.458 10 0 CEAEMP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000071344220 176131167 /nfs/dbraw/zinc/13/11/67/176131167.db2.gz PGIKQMYDZATRFY-OAHLLOKOSA-N 2 1 261.413 2.458 10 0 CEAEMP CC[C@@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345622 176132154 /nfs/dbraw/zinc/13/21/54/176132154.db2.gz DUKNPDOFRNBWKH-HZPDHXFCSA-N 2 1 276.428 2.044 10 0 CEAEMP CC(C)n1c(C[NH3+])nnc1SCC[C@H]1CCCC[N@H+]1C ZINC000071374449 176140023 /nfs/dbraw/zinc/14/00/23/176140023.db2.gz CIBUIJJEYTVJMR-GFCCVEGCSA-N 2 1 297.472 2.284 10 0 CEAEMP [NH3+][C@H](CCC[N@@H+]1CCn2ccnc2C1)c1ccccc1 ZINC000071402087 176154130 /nfs/dbraw/zinc/15/41/30/176154130.db2.gz RKCPKTUCQQQHLC-OAHLLOKOSA-N 2 1 270.380 2.179 10 0 CEAEMP [NH3+][C@H](CCC[N@H+]1CCn2ccnc2C1)c1ccccc1 ZINC000071402087 176154132 /nfs/dbraw/zinc/15/41/32/176154132.db2.gz RKCPKTUCQQQHLC-OAHLLOKOSA-N 2 1 270.380 2.179 10 0 CEAEMP Cc1nc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)sc1C ZINC000072150558 176326270 /nfs/dbraw/zinc/32/62/70/176326270.db2.gz VLRCIJAKBMEGMI-HNNXBMFYSA-N 2 1 297.468 2.039 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211816412 260354873 /nfs/dbraw/zinc/35/48/73/260354873.db2.gz JYOLUBWUAHUSHS-GOSISDBHSA-N 2 1 287.451 2.248 10 0 CEAEMP CC(C)(C)OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151142280 277215688 /nfs/dbraw/zinc/21/56/88/277215688.db2.gz GTWIVWFVWIMDBV-HOTGVXAUSA-N 2 1 298.471 2.113 10 0 CEAEMP CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261961562 277337868 /nfs/dbraw/zinc/33/78/68/277337868.db2.gz PPWVGXYCHKIEFN-RBSFLKMASA-N 2 1 266.429 2.169 10 0 CEAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]cc3Br)C[C@H]21 ZINC000229262746 303462373 /nfs/dbraw/zinc/46/23/73/303462373.db2.gz DTCZMJTZOZWVJY-CKYFFXLPSA-N 2 1 296.212 2.408 10 0 CEAEMP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515160 519722489 /nfs/dbraw/zinc/72/24/89/519722489.db2.gz CLDLSLDEYBFEFI-INIZCTEOSA-N 3 1 269.477 2.283 10 0 CEAEMP CC(C)[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@@H+](C)C2)s1 ZINC000054905574 519728292 /nfs/dbraw/zinc/72/82/92/519728292.db2.gz DULWJPLHPKNVJR-LBPRGKRZSA-N 2 1 282.457 2.172 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1ccccc1F ZINC000062740901 520306591 /nfs/dbraw/zinc/30/65/91/520306591.db2.gz DNMWJEMPKSAJGT-CYBMUJFWSA-N 2 1 254.349 2.011 10 0 CEAEMP CC[N@H+](Cc1cc(C[NH3+])oc1C)Cc1ccncc1 ZINC000052514992 521289834 /nfs/dbraw/zinc/28/98/34/521289834.db2.gz BFZUTBCVUOPARZ-UHFFFAOYSA-N 2 1 259.353 2.464 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH3+])oc1C)Cc1ccncc1 ZINC000052514992 521289845 /nfs/dbraw/zinc/28/98/45/521289845.db2.gz BFZUTBCVUOPARZ-UHFFFAOYSA-N 2 1 259.353 2.464 10 0 CEAEMP C1C[NH2+][C@@H]([C@@H]2CCC[N@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590655 518580087 /nfs/dbraw/zinc/58/00/87/518580087.db2.gz KVAOPPYOWDZIGK-MGPQQGTHSA-N 2 1 254.443 2.346 10 0 CEAEMP CC(C)[N@@H+]1CC[C@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853832 519688810 /nfs/dbraw/zinc/68/88/10/519688810.db2.gz LKIZJXRUACWZPW-LBPRGKRZSA-N 2 1 258.369 2.349 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853832 519688812 /nfs/dbraw/zinc/68/88/12/519688812.db2.gz LKIZJXRUACWZPW-LBPRGKRZSA-N 2 1 258.369 2.349 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)CCc2ccccn2)O1 ZINC000052423978 519723596 /nfs/dbraw/zinc/72/35/96/519723596.db2.gz AZTUILDTVROBRO-IRXDYDNUSA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[NH+]1CCN(C2CC2)CC1 ZINC000052371420 519727748 /nfs/dbraw/zinc/72/77/48/519727748.db2.gz DUINUFCFQLDBDR-UHFFFAOYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068648007 519736678 /nfs/dbraw/zinc/73/66/78/519736678.db2.gz DFUMHUYGNMPDJP-DYVFJYSZSA-N 2 1 295.471 2.129 10 0 CEAEMP CC(C)N[C@@](C)(C[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630448 519736818 /nfs/dbraw/zinc/73/68/18/519736818.db2.gz VJKURLVBASLFST-XEZPLFJOSA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630448 519736819 /nfs/dbraw/zinc/73/68/19/519736819.db2.gz VJKURLVBASLFST-XEZPLFJOSA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630448 519736820 /nfs/dbraw/zinc/73/68/20/519736820.db2.gz VJKURLVBASLFST-XEZPLFJOSA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507667 519744825 /nfs/dbraw/zinc/74/48/25/519744825.db2.gz DJFNAIBBOZQNMP-ULQDDVLXSA-N 2 1 298.471 2.281 10 0 CEAEMP CCCC1CC[NH+]([C@@H](C)C[C@@](C)([NH2+]CC)C(N)=O)CC1 ZINC000068641792 519902559 /nfs/dbraw/zinc/90/25/59/519902559.db2.gz BGUGFVJGBPOTEM-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+](CC)C2CC2)CCOCC1 ZINC000052181254 519909747 /nfs/dbraw/zinc/90/97/47/519909747.db2.gz WUNOELKJYHYIJT-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711760 519910894 /nfs/dbraw/zinc/91/08/94/519910894.db2.gz NQMDKBDSFXGIED-CQSZACIVSA-N 2 1 254.418 2.003 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccncc1 ZINC000054628342 519911105 /nfs/dbraw/zinc/91/11/05/519911105.db2.gz UMYBHKNINLOQID-MQVJKMGUSA-N 2 1 259.397 2.229 10 0 CEAEMP CCC[NH2+]CCCCC[N@@H+](CCC)CCN(C)C ZINC000052544245 519912475 /nfs/dbraw/zinc/91/24/75/519912475.db2.gz XHFYKSIUNCNCMA-UHFFFAOYSA-N 2 1 257.466 2.430 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055074321 519919933 /nfs/dbraw/zinc/91/99/33/519919933.db2.gz UVTPABQZARKEDQ-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478883 519924265 /nfs/dbraw/zinc/92/42/65/519924265.db2.gz LECQDWQPDDPIQD-JKSUJKDBSA-N 2 1 277.412 2.061 10 0 CEAEMP CCC[NH2+]C[C@H](C)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545308 519931066 /nfs/dbraw/zinc/93/10/66/519931066.db2.gz PODXPSUUXGPNCQ-KBPBESRZSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+]C[C@]1(C[N@@H+](CC)CC2CC2)CCOC1 ZINC000069239878 519940899 /nfs/dbraw/zinc/94/08/99/519940899.db2.gz FMLXGHGIBCSKAG-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[NH2+]C[C@@H]1CCCC[N@@H+](C)[C@@H]1c1c(C)nn(C)c1C ZINC000070289955 519949355 /nfs/dbraw/zinc/94/93/55/519949355.db2.gz QIKOQXWXBCIZGG-HOCLYGCPSA-N 2 1 278.444 2.419 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000053011639 519951942 /nfs/dbraw/zinc/95/19/42/519951942.db2.gz NCPBDUKKWACSQU-HNNXBMFYSA-N 2 1 292.423 2.178 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2)O1 ZINC000052417528 519952014 /nfs/dbraw/zinc/95/20/14/519952014.db2.gz XVANIWHLFFYMTB-HOTGVXAUSA-N 2 1 262.397 2.276 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540364 519990665 /nfs/dbraw/zinc/99/06/65/519990665.db2.gz TVYOPQPTLIIRJS-JKSUJKDBSA-N 2 1 278.396 2.451 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540364 519990670 /nfs/dbraw/zinc/99/06/70/519990670.db2.gz TVYOPQPTLIIRJS-JKSUJKDBSA-N 2 1 278.396 2.451 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CCOC)C1CC1 ZINC000052542540 520006488 /nfs/dbraw/zinc/00/64/88/520006488.db2.gz HWEZKGJRMJAKNW-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476742 520009425 /nfs/dbraw/zinc/00/94/25/520009425.db2.gz RAXIKXOUYQFQPJ-UONOGXRCSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543482 520029960 /nfs/dbraw/zinc/02/99/60/520029960.db2.gz DVVVVSXMYYRYNP-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543482 520029967 /nfs/dbraw/zinc/02/99/67/520029967.db2.gz DVVVVSXMYYRYNP-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+][C@@H](CC[NH+]1CCC(O)CC1)c1ccccc1C ZINC000054015309 520088008 /nfs/dbraw/zinc/08/80/08/520088008.db2.gz BZTZKOGHVHZEMS-KRWDZBQOSA-N 2 1 276.424 2.492 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068647982 520114299 /nfs/dbraw/zinc/11/42/99/520114299.db2.gz JBDIKEAHAATLBT-SUMWQHHRSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632676 520139513 /nfs/dbraw/zinc/13/95/13/520139513.db2.gz BPFTUQYQVIQJTC-UNEWFSDZSA-N 2 1 295.471 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632676 520139517 /nfs/dbraw/zinc/13/95/17/520139517.db2.gz BPFTUQYQVIQJTC-UNEWFSDZSA-N 2 1 295.471 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637478 520142728 /nfs/dbraw/zinc/14/27/28/520142728.db2.gz WHLXKHOOGPHOIQ-HTHKGWQXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637478 520142740 /nfs/dbraw/zinc/14/27/40/520142740.db2.gz WHLXKHOOGPHOIQ-HTHKGWQXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[N@@H+](CCOC)Cc1c2ccccc2oc1C[NH3+] ZINC000052542686 521134825 /nfs/dbraw/zinc/13/48/25/521134825.db2.gz CNIKHGPIXPGPJG-UHFFFAOYSA-N 2 1 262.353 2.360 10 0 CEAEMP CC[N@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)CC1CC1 ZINC000069236840 521172642 /nfs/dbraw/zinc/17/26/42/521172642.db2.gz LGRPQVSGZYDLCO-UHFFFAOYSA-N 2 1 258.369 2.420 10 0 CEAEMP CC[N@@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)CC1CC1 ZINC000069236840 521172649 /nfs/dbraw/zinc/17/26/49/521172649.db2.gz LGRPQVSGZYDLCO-UHFFFAOYSA-N 2 1 258.369 2.420 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197546 521650456 /nfs/dbraw/zinc/65/04/56/521650456.db2.gz STCJJRUJZANUKC-PMPSAXMXSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197546 521650458 /nfs/dbraw/zinc/65/04/58/521650458.db2.gz STCJJRUJZANUKC-PMPSAXMXSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197546 521650461 /nfs/dbraw/zinc/65/04/61/521650461.db2.gz STCJJRUJZANUKC-PMPSAXMXSA-N 2 1 269.477 2.283 10 0 CEAEMP CCC[N@@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C(C)C ZINC000052450416 521674613 /nfs/dbraw/zinc/67/46/13/521674613.db2.gz LSRZTGORQSCOFW-UHFFFAOYSA-N 2 1 281.448 2.287 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@H]2CCSC2)c(C)o1 ZINC000052453617 522104160 /nfs/dbraw/zinc/10/41/60/522104160.db2.gz KGXFNGMIYGBZFR-LBPRGKRZSA-N 2 1 254.399 2.245 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)on1 ZINC000052546716 522105064 /nfs/dbraw/zinc/10/50/64/522105064.db2.gz VQNVFQFBYUSYMQ-SMDDNHRTSA-N 2 1 251.374 2.405 10 0 CEAEMP C[NH2+]Cc1coc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000052417327 522148449 /nfs/dbraw/zinc/14/84/49/522148449.db2.gz RHEVYKYLVWNZLI-UHFFFAOYSA-N 2 1 285.391 2.321 10 0 CEAEMP C[NH2+][C@@H](CC[N@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000054046677 522343364 /nfs/dbraw/zinc/34/33/64/522343364.db2.gz PLNVKUIHVORBNQ-KGLIPLIRSA-N 2 1 256.434 2.248 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+](CCO)C1CCCC1 ZINC000053875303 522377198 /nfs/dbraw/zinc/37/71/98/522377198.db2.gz VUBSBSQHHWOEDL-GDBMZVCRSA-N 2 1 268.445 2.392 10 0 CEAEMP CCc1[nH+]ccn1C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052593187 522586466 /nfs/dbraw/zinc/58/64/66/522586466.db2.gz SFPADKUFRBKTKD-CHWSQXEVSA-N 2 1 265.401 2.381 10 0 CEAEMP C[N@@H+](CCN1CCC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000061275216 522831461 /nfs/dbraw/zinc/83/14/61/522831461.db2.gz LXRVPKLRGGEUGE-UHFFFAOYSA-N 2 1 281.831 2.067 10 0 CEAEMP CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000061675033 523332665 /nfs/dbraw/zinc/33/26/65/523332665.db2.gz CJHMVOQBRHHAEN-CQSZACIVSA-N 2 1 276.380 2.379 10 0 CEAEMP CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000061675033 523332673 /nfs/dbraw/zinc/33/26/73/523332673.db2.gz CJHMVOQBRHHAEN-CQSZACIVSA-N 2 1 276.380 2.379 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197574 523350856 /nfs/dbraw/zinc/35/08/56/523350856.db2.gz BPDCJLWHLSGCLL-CVEARBPZSA-N 2 1 298.471 2.281 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197574 523350862 /nfs/dbraw/zinc/35/08/62/523350862.db2.gz BPDCJLWHLSGCLL-CVEARBPZSA-N 2 1 298.471 2.281 10 0 CEAEMP COCC[N@@H+](CC(C)C)C[C@H](C)C[NH2+]CC(C)C ZINC000052508469 523679007 /nfs/dbraw/zinc/67/90/07/523679007.db2.gz YJSGLIVAKOIYOR-OAHLLOKOSA-N 2 1 258.450 2.473 10 0 CEAEMP COCC[N@@H+](CCCCC[NH2+]CC(C)C)[C@H](C)COC ZINC000052572422 523693269 /nfs/dbraw/zinc/69/32/69/523693269.db2.gz HDFHNVVPBKLYHT-MRXNPFEDSA-N 2 1 288.476 2.386 10 0 CEAEMP C[NH+](C)CC1CC[NH+]([C@@H](CN)CCc2ccccc2)CC1 ZINC000061625006 524049680 /nfs/dbraw/zinc/04/96/80/524049680.db2.gz VGNGKTQDZHZESO-GOSISDBHSA-N 2 1 289.467 2.220 10 0 CEAEMP C[C@H](CCC[NH2+]C1CC1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507534 524143273 /nfs/dbraw/zinc/14/32/73/524143273.db2.gz NNZVULFRCJAPAN-HIFRSBDPSA-N 2 1 254.418 2.408 10 0 CEAEMP Cc1cccc(C[N@H+](C)Cc2cccnc2C[NH3+])c1 ZINC000061656665 524375492 /nfs/dbraw/zinc/37/54/92/524375492.db2.gz ILTIWOWTIZWERC-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP C[C@H]1C[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)CC(C)(C)O1 ZINC000052183161 524586278 /nfs/dbraw/zinc/58/62/78/524586278.db2.gz PNZOKCUMKUCQEO-AWEZNQCLSA-N 2 1 296.455 2.035 10 0 CEAEMP C[C@H]1C[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)CC(C)(C)O1 ZINC000052183161 524586283 /nfs/dbraw/zinc/58/62/83/524586283.db2.gz PNZOKCUMKUCQEO-AWEZNQCLSA-N 2 1 296.455 2.035 10 0 CEAEMP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[NH+]1CCCCCCC1 ZINC000068617424 524852454 /nfs/dbraw/zinc/85/24/54/524852454.db2.gz JFONVAIXRIMPIC-XJKSGUPXSA-N 2 1 281.444 2.027 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1C[C@H]1CCCC[N@H+]1C ZINC000052854196 527122675 /nfs/dbraw/zinc/12/26/75/527122675.db2.gz ADZMWLLNNSGEPV-CYBMUJFWSA-N 2 1 258.369 2.411 10 0 CEAEMP Cc1[nH+]c2cc(N)ccc2n1C[C@H]1CCCC[N@@H+]1C ZINC000052854196 527122682 /nfs/dbraw/zinc/12/26/82/527122682.db2.gz ADZMWLLNNSGEPV-CYBMUJFWSA-N 2 1 258.369 2.411 10 0 CEAEMP NNc1[nH+]cccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000062945335 527288302 /nfs/dbraw/zinc/28/83/02/527288302.db2.gz OMXVTWULMGMFHY-UHFFFAOYSA-N 2 1 268.364 2.316 10 0 CEAEMP NNc1[nH+]cccc1C[N@H+]1CCCc2ccccc2C1 ZINC000062945335 527288308 /nfs/dbraw/zinc/28/83/08/527288308.db2.gz OMXVTWULMGMFHY-UHFFFAOYSA-N 2 1 268.364 2.316 10 0 CEAEMP CC(C)[C@@H]1[NH2+][C@@]2(CCC[N@@H+](C)CC2)OCC1(C)C ZINC000757142704 574510332 /nfs/dbraw/zinc/51/03/32/574510332.db2.gz DGASPWYKVFWDAY-ZFWWWQNUSA-N 2 1 254.418 2.469 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757145947 574510384 /nfs/dbraw/zinc/51/03/84/574510384.db2.gz JHXBJMVGGICTIM-LBPRGKRZSA-N 2 1 252.402 2.412 10 0 CEAEMP Cn1cc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cn1 ZINC000311107979 627367171 /nfs/dbraw/zinc/36/71/71/627367171.db2.gz RCNPMJBINNXSMO-CQSZACIVSA-N 2 1 250.390 2.076 10 0 CEAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399245587 628787613 /nfs/dbraw/zinc/78/76/13/628787613.db2.gz JZUYOMDBPLFZGI-HYVNUMGLSA-N 2 1 282.472 2.494 10 0 CEAEMP c1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000123948656 539179733 /nfs/dbraw/zinc/17/97/33/539179733.db2.gz YAFJVZSSYLXNBE-ROUUACIJSA-N 2 1 286.419 2.476 10 0 CEAEMP CC(C)(C)OC(=O)c1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000725270904 539215333 /nfs/dbraw/zinc/21/53/33/539215333.db2.gz UYFYCCKTDJMKPO-KBPBESRZSA-N 2 1 276.380 2.046 10 0 CEAEMP [NH3+]CCC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000159907279 344456377 /nfs/dbraw/zinc/45/63/77/344456377.db2.gz XZRDZAGUHLFJOL-UHFFFAOYSA-N 2 1 284.201 2.409 10 0 CEAEMP CC[C@@](C)(C[NH3+])Nc1cc[nH+]cc1Br ZINC000160026627 344456890 /nfs/dbraw/zinc/45/68/90/344456890.db2.gz VAZWEEWLHXDBSW-JTQLQIEISA-N 2 1 258.163 2.383 10 0 CEAEMP c1ccc(SCCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000224228878 344543755 /nfs/dbraw/zinc/54/37/55/344543755.db2.gz SMJOHUSAVWCMNU-UHFFFAOYSA-N 2 1 250.411 2.464 10 0 CEAEMP c1ccc(SCCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000224228878 344543758 /nfs/dbraw/zinc/54/37/58/344543758.db2.gz SMJOHUSAVWCMNU-UHFFFAOYSA-N 2 1 250.411 2.464 10 0 CEAEMP Cc1cccnc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328623649 344756445 /nfs/dbraw/zinc/75/64/45/344756445.db2.gz CAMCKNROJIJVAB-CQSZACIVSA-N 2 1 270.380 2.281 10 0 CEAEMP Cc1cccnc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328623649 344756448 /nfs/dbraw/zinc/75/64/48/344756448.db2.gz CAMCKNROJIJVAB-CQSZACIVSA-N 2 1 270.380 2.281 10 0 CEAEMP C[N@@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054308279 362526279 /nfs/dbraw/zinc/52/62/79/362526279.db2.gz QXPOEHLDLIOVRI-HNNXBMFYSA-N 2 1 295.471 2.147 10 0 CEAEMP CC(C)C[C@H](C)[N@H+](C)C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085301397 179010327 /nfs/dbraw/zinc/01/03/27/179010327.db2.gz HAAJEMOSNDNNOX-HOCLYGCPSA-N 2 1 264.413 2.199 10 0 CEAEMP CC(C)C[C@H](C)[N@@H+](C)C[C@@](O)(C[NH3+])c1ccccc1 ZINC000085301397 179010329 /nfs/dbraw/zinc/01/03/29/179010329.db2.gz HAAJEMOSNDNNOX-HOCLYGCPSA-N 2 1 264.413 2.199 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000085494604 179082390 /nfs/dbraw/zinc/08/23/90/179082390.db2.gz QGXFETNARZRIGE-LSDHHAIUSA-N 2 1 264.417 2.044 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085611276 179103471 /nfs/dbraw/zinc/10/34/71/179103471.db2.gz YDMWZXSVLCCKIM-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617110 179104542 /nfs/dbraw/zinc/10/45/42/179104542.db2.gz IMHXMZSMKMFICC-GFCCVEGCSA-N 2 1 282.350 2.419 10 0 CEAEMP C[C@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085618879 179104651 /nfs/dbraw/zinc/10/46/51/179104651.db2.gz APFZFYCHXYRLII-JQHSSLGASA-N 2 1 288.435 2.461 10 0 CEAEMP C[N@@H+](CCCN[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153495 365830157 /nfs/dbraw/zinc/83/01/57/365830157.db2.gz XRUIJWWJIJXFSQ-OAHLLOKOSA-N 2 1 267.461 2.373 10 0 CEAEMP C[N@H+](CCC[NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153495 365830159 /nfs/dbraw/zinc/83/01/59/365830159.db2.gz XRUIJWWJIJXFSQ-OAHLLOKOSA-N 3 1 267.461 2.373 10 0 CEAEMP C[N@@H+](CCC[NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153495 365830167 /nfs/dbraw/zinc/83/01/67/365830167.db2.gz XRUIJWWJIJXFSQ-OAHLLOKOSA-N 3 1 267.461 2.373 10 0 CEAEMP CC[C@]1(C)CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146731 179240030 /nfs/dbraw/zinc/24/00/30/179240030.db2.gz WQANWYPQCWMFEV-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@]1(C)C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146731 179240032 /nfs/dbraw/zinc/24/00/32/179240032.db2.gz WQANWYPQCWMFEV-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146731 179240034 /nfs/dbraw/zinc/24/00/34/179240034.db2.gz WQANWYPQCWMFEV-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@]1(C)C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146731 179240037 /nfs/dbraw/zinc/24/00/37/179240037.db2.gz WQANWYPQCWMFEV-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@]1(C)C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146731 179240039 /nfs/dbraw/zinc/24/00/39/179240039.db2.gz WQANWYPQCWMFEV-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086171832 179242904 /nfs/dbraw/zinc/24/29/04/179242904.db2.gz FWMWFIMPVJNRRW-YVSFHVDLSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086173734 179244683 /nfs/dbraw/zinc/24/46/83/179244683.db2.gz SNJHGDNDPGEULX-JYJNAYRXSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(C)C)NC[C@@H]2C)CC1 ZINC000086173693 179244852 /nfs/dbraw/zinc/24/48/52/179244852.db2.gz JVEAOPOKGVOLFJ-GOEBONIOSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086173693 179244854 /nfs/dbraw/zinc/24/48/54/179244854.db2.gz JVEAOPOKGVOLFJ-GOEBONIOSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1CN(CCCC[N@@H+](C)C(C)C)[C@@H](C)C[NH2+]1 ZINC000086174326 179245918 /nfs/dbraw/zinc/24/59/18/179245918.db2.gz INZRINJNGBKPIA-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)[C@@H](C)CN1 ZINC000086174326 179245919 /nfs/dbraw/zinc/24/59/19/179245919.db2.gz INZRINJNGBKPIA-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)[C@@H](C)CN1 ZINC000086174326 179245922 /nfs/dbraw/zinc/24/59/22/179245922.db2.gz INZRINJNGBKPIA-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)[C@@H](C)CN1 ZINC000086174326 179245924 /nfs/dbraw/zinc/24/59/24/179245924.db2.gz INZRINJNGBKPIA-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)[C@@H](C)CN1 ZINC000086174326 179245926 /nfs/dbraw/zinc/24/59/26/179245926.db2.gz INZRINJNGBKPIA-HOTGVXAUSA-N 2 1 269.477 2.425 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223103 179250410 /nfs/dbraw/zinc/25/04/10/179250410.db2.gz OKKXXQPCBDAVJH-QLFBSQMISA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223013 179250455 /nfs/dbraw/zinc/25/04/55/179250455.db2.gz AWFHLZPDJFJBRU-PMPSAXMXSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223022 179250687 /nfs/dbraw/zinc/25/06/87/179250687.db2.gz BJRDWAXKBJZAIU-LSDHHAIUSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223014 179251161 /nfs/dbraw/zinc/25/11/61/179251161.db2.gz AWFHLZPDJFJBRU-BZUAXINKSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223120 179251874 /nfs/dbraw/zinc/25/18/74/179251874.db2.gz WYGSVBKYWMXQJS-BFYDXBDKSA-N 2 1 279.472 2.181 10 0 CEAEMP CCC1(CC)CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223166 179252104 /nfs/dbraw/zinc/25/21/04/179252104.db2.gz CQBDGRSKPSVKBM-CVEARBPZSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291438 179265433 /nfs/dbraw/zinc/26/54/33/179265433.db2.gz QSLSKMQMGJRCST-GDBMZVCRSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291438 179265434 /nfs/dbraw/zinc/26/54/34/179265434.db2.gz QSLSKMQMGJRCST-GDBMZVCRSA-N 2 1 267.461 2.038 10 0 CEAEMP C[C@@H]1CN[C@H](c2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086261031 179260453 /nfs/dbraw/zinc/26/04/53/179260453.db2.gz HVXLCQWBUPARNM-WBVHZDCISA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1CCCC[NH+](C)C ZINC000086261031 179260456 /nfs/dbraw/zinc/26/04/56/179260456.db2.gz HVXLCQWBUPARNM-WBVHZDCISA-N 2 1 275.440 2.363 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288175 179264313 /nfs/dbraw/zinc/26/43/13/179264313.db2.gz VZYSIVFLYFNYAO-GOEBONIOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288175 179264315 /nfs/dbraw/zinc/26/43/15/179264315.db2.gz VZYSIVFLYFNYAO-GOEBONIOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086289428 179264979 /nfs/dbraw/zinc/26/49/79/179264979.db2.gz XVIAUSSJDHVKEP-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293265 179266385 /nfs/dbraw/zinc/26/63/85/179266385.db2.gz IXAVOSWYHIJNAA-HUUCEWRRSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293265 179266387 /nfs/dbraw/zinc/26/63/87/179266387.db2.gz IXAVOSWYHIJNAA-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP CCOC[C@H](C)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292005 179266770 /nfs/dbraw/zinc/26/67/70/179266770.db2.gz XOXMKNRUIUHVQR-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP C[N@H+](CCc1cccs1)Cc1ccc[nH+]c1NN ZINC000086441619 179292644 /nfs/dbraw/zinc/29/26/44/179292644.db2.gz FVAPCXAPVVKYCD-UHFFFAOYSA-N 2 1 262.382 2.103 10 0 CEAEMP C[N@@H+](CCc1cccs1)Cc1ccc[nH+]c1NN ZINC000086441619 179292646 /nfs/dbraw/zinc/29/26/46/179292646.db2.gz FVAPCXAPVVKYCD-UHFFFAOYSA-N 2 1 262.382 2.103 10 0 CEAEMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000086585497 179309940 /nfs/dbraw/zinc/30/99/40/179309940.db2.gz AHOHCJPLEOPUTR-LBPRGKRZSA-N 2 1 268.788 2.390 10 0 CEAEMP CN(c1ccccc1F)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819528 179347973 /nfs/dbraw/zinc/34/79/73/179347973.db2.gz SLFWTBFOSQQGGH-OAHLLOKOSA-N 2 1 265.376 2.075 10 0 CEAEMP CN(Cc1ccccc1F)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819351 179348538 /nfs/dbraw/zinc/34/85/38/179348538.db2.gz DMJQZJWPQOGLBW-INIZCTEOSA-N 2 1 279.403 2.071 10 0 CEAEMP CC[N@H+]1CCC[C@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835001 179349738 /nfs/dbraw/zinc/34/97/38/179349738.db2.gz VXHPERBFWBCDBC-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835001 179349740 /nfs/dbraw/zinc/34/97/40/179349740.db2.gz VXHPERBFWBCDBC-AWEZNQCLSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835001 179349741 /nfs/dbraw/zinc/34/97/41/179349741.db2.gz VXHPERBFWBCDBC-AWEZNQCLSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086848171 179356600 /nfs/dbraw/zinc/35/66/00/179356600.db2.gz FBVWOHYYLMANJL-QGZVFWFLSA-N 2 1 291.439 2.447 10 0 CEAEMP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841955 179352584 /nfs/dbraw/zinc/35/25/84/179352584.db2.gz GIYKAADSBPLMLO-CQSZACIVSA-N 2 1 250.390 2.071 10 0 CEAEMP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841955 179352585 /nfs/dbraw/zinc/35/25/85/179352585.db2.gz GIYKAADSBPLMLO-CQSZACIVSA-N 2 1 250.390 2.071 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840504 179352609 /nfs/dbraw/zinc/35/26/09/179352609.db2.gz WFWLECVRFUAXRL-LSDHHAIUSA-N 2 1 264.417 2.124 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843392 179353018 /nfs/dbraw/zinc/35/30/18/179353018.db2.gz POJTVUJHWOAPGE-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843392 179353020 /nfs/dbraw/zinc/35/30/20/179353020.db2.gz POJTVUJHWOAPGE-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843392 179353021 /nfs/dbraw/zinc/35/30/21/179353021.db2.gz POJTVUJHWOAPGE-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000086843392 179353023 /nfs/dbraw/zinc/35/30/23/179353023.db2.gz POJTVUJHWOAPGE-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@H](NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000086843392 179353025 /nfs/dbraw/zinc/35/30/25/179353025.db2.gz POJTVUJHWOAPGE-HOTGVXAUSA-N 2 1 267.461 2.323 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843405 179353165 /nfs/dbraw/zinc/35/31/65/179353165.db2.gz FUXVNLKDPFAXSR-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843405 179353167 /nfs/dbraw/zinc/35/31/67/179353167.db2.gz FUXVNLKDPFAXSR-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843405 179353169 /nfs/dbraw/zinc/35/31/69/179353169.db2.gz FUXVNLKDPFAXSR-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000086843405 179353170 /nfs/dbraw/zinc/35/31/70/179353170.db2.gz FUXVNLKDPFAXSR-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000086843405 179353172 /nfs/dbraw/zinc/35/31/72/179353172.db2.gz FUXVNLKDPFAXSR-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842895 179353281 /nfs/dbraw/zinc/35/32/81/179353281.db2.gz TXARZUFEXHGWKK-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842895 179353282 /nfs/dbraw/zinc/35/32/82/179353282.db2.gz TXARZUFEXHGWKK-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842895 179353284 /nfs/dbraw/zinc/35/32/84/179353284.db2.gz TXARZUFEXHGWKK-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842886 179353603 /nfs/dbraw/zinc/35/36/03/179353603.db2.gz RSXBFVPUYUKWRK-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@@H+]1CCC[C@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842886 179353604 /nfs/dbraw/zinc/35/36/04/179353604.db2.gz RSXBFVPUYUKWRK-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842886 179353605 /nfs/dbraw/zinc/35/36/05/179353605.db2.gz RSXBFVPUYUKWRK-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000086846329 179354330 /nfs/dbraw/zinc/35/43/30/179354330.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CN)([NH+](C)C2CCCCC2)CC1 ZINC000086846329 179354331 /nfs/dbraw/zinc/35/43/31/179354331.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+]1CCC[C@@](CN)([NH+](C)C2CCCCC2)CC1 ZINC000086846329 179354333 /nfs/dbraw/zinc/35/43/33/179354333.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086846329 179354334 /nfs/dbraw/zinc/35/43/34/179354334.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086846329 179354336 /nfs/dbraw/zinc/35/43/36/179354336.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCCC(=O)OCC)CC1 ZINC000086845747 179355638 /nfs/dbraw/zinc/35/56/38/179355638.db2.gz PJHKRZOVWRMSON-CQSZACIVSA-N 2 1 270.417 2.184 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868243 179360828 /nfs/dbraw/zinc/36/08/28/179360828.db2.gz WWYYMBHIWNMFJN-OAHLLOKOSA-N 2 1 282.453 2.463 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868243 179360829 /nfs/dbraw/zinc/36/08/29/179360829.db2.gz WWYYMBHIWNMFJN-OAHLLOKOSA-N 2 1 282.453 2.463 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCCC(C)(C)C2)CC1 ZINC000086848887 179358016 /nfs/dbraw/zinc/35/80/16/179358016.db2.gz IGHBEORIHQRFML-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH2+][C@H](CCCOC)Cc1cc[nH+]c(N)c1 ZINC000086970760 179370770 /nfs/dbraw/zinc/37/07/70/179370770.db2.gz SGJHWAHEJGDAFS-CYBMUJFWSA-N 2 1 251.374 2.001 10 0 CEAEMP CCOc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000067674051 362915857 /nfs/dbraw/zinc/91/58/57/362915857.db2.gz VJTKSHKDMKGJJJ-ZDUSSCGKSA-N 2 1 274.408 2.355 10 0 CEAEMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414590 233178281 /nfs/dbraw/zinc/17/82/81/233178281.db2.gz VADMUNJMIUQYEA-UOVPBQLFSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414590 233178283 /nfs/dbraw/zinc/17/82/83/233178283.db2.gz VADMUNJMIUQYEA-UOVPBQLFSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753361 233181248 /nfs/dbraw/zinc/18/12/48/233181248.db2.gz WGVJDUNCFSRJLO-JQHSSLGASA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753361 233181251 /nfs/dbraw/zinc/18/12/51/233181251.db2.gz WGVJDUNCFSRJLO-JQHSSLGASA-N 2 1 287.451 2.239 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1C ZINC000090566294 180005622 /nfs/dbraw/zinc/00/56/22/180005622.db2.gz VLNSRHMWYOIWKJ-IAGOWNOFSA-N 2 1 276.424 2.441 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccoc1C ZINC000090566360 180006108 /nfs/dbraw/zinc/00/61/08/180006108.db2.gz FAAPKMQFOUCGIE-LSDHHAIUSA-N 2 1 266.385 2.034 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccoc1C ZINC000090566360 180006110 /nfs/dbraw/zinc/00/61/10/180006110.db2.gz FAAPKMQFOUCGIE-LSDHHAIUSA-N 2 1 266.385 2.034 10 0 CEAEMP C[N@@H+](CCCOCC(F)(F)F)CCC1CC[NH2+]CC1 ZINC000090694041 180026252 /nfs/dbraw/zinc/02/62/52/180026252.db2.gz CKFCMIBUXLQISD-UHFFFAOYSA-N 2 1 282.350 2.277 10 0 CEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893495 180054740 /nfs/dbraw/zinc/05/47/40/180054740.db2.gz YWUIXLVSZBVLQA-JMSVASOKSA-N 2 1 278.371 2.188 10 0 CEAEMP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897477 180057522 /nfs/dbraw/zinc/05/75/22/180057522.db2.gz RKUPLMGRVSBCJK-PBHICJAKSA-N 2 1 286.419 2.372 10 0 CEAEMP CC[N@@H+](C[C@H]1Cc2cc(C)ccc2O1)C1CC[NH2+]CC1 ZINC000090900040 180058963 /nfs/dbraw/zinc/05/89/63/180058963.db2.gz SBEHAPYMBZNSSL-MRXNPFEDSA-N 2 1 274.408 2.372 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+])O2 ZINC000090900311 180059217 /nfs/dbraw/zinc/05/92/17/180059217.db2.gz MVPBEQNNYFORNQ-FVQBIDKESA-N 2 1 274.408 2.358 10 0 CEAEMP [NH3+]Cc1c2ccccc2oc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907934 180061583 /nfs/dbraw/zinc/06/15/83/180061583.db2.gz DIRJBWBOQQUQPQ-TXEJJXNPSA-N 2 1 272.348 2.255 10 0 CEAEMP [NH3+]Cc1c2ccccc2oc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907934 180061587 /nfs/dbraw/zinc/06/15/87/180061587.db2.gz DIRJBWBOQQUQPQ-TXEJJXNPSA-N 2 1 272.348 2.255 10 0 CEAEMP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958813 180075462 /nfs/dbraw/zinc/07/54/62/180075462.db2.gz DMBPZBSTJMFWHH-WDEREUQCSA-N 2 1 253.415 2.265 10 0 CEAEMP CCCn1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000091012212 180086460 /nfs/dbraw/zinc/08/64/60/180086460.db2.gz PIWCZEXZFOLLLO-HNNXBMFYSA-N 2 1 261.413 2.472 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019563 180088042 /nfs/dbraw/zinc/08/80/42/180088042.db2.gz LUSGRWHVZLGFQK-FZMZJTMJSA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019563 180088044 /nfs/dbraw/zinc/08/80/44/180088044.db2.gz LUSGRWHVZLGFQK-FZMZJTMJSA-N 2 1 258.369 2.265 10 0 CEAEMP CC[NH2+]C[C@](C)(C[N@@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490347 180170292 /nfs/dbraw/zinc/17/02/92/180170292.db2.gz VZGGMGWFGJHFNK-VMWRSERWSA-N 2 1 290.451 2.257 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091499465 180173939 /nfs/dbraw/zinc/17/39/39/180173939.db2.gz HYNOZFBERFDQPV-GRAKBVBRSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[NH2+][C@H](CC[N@@H+](C)CC1CC(O)C1)C(C)(C)C ZINC000091499037 180173947 /nfs/dbraw/zinc/17/39/47/180173947.db2.gz DLZVCQAXIPOVAN-JXQTWKCFSA-N 2 1 256.434 2.103 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)C[N@H+]1CCCC[C@@H]1CCO ZINC000091402633 180147216 /nfs/dbraw/zinc/14/72/16/180147216.db2.gz VSVRGEWYQPGCMX-ZIAGYGMSSA-N 2 1 256.434 2.248 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCCOC)CCOC ZINC000091403769 180147459 /nfs/dbraw/zinc/14/74/59/180147459.db2.gz TUJYYDOAEGZVTO-HNNXBMFYSA-N 2 1 288.476 2.386 10 0 CEAEMP CCC[NH2+]CCCCC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000091430279 180152725 /nfs/dbraw/zinc/15/27/25/180152725.db2.gz QQICMDCCCOYOJU-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091430279 180152726 /nfs/dbraw/zinc/15/27/26/180152726.db2.gz QQICMDCCCOYOJU-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1ccc[nH+]c1N ZINC000091573223 180196428 /nfs/dbraw/zinc/19/64/28/180196428.db2.gz CNDKRFHGYHGBOX-DZGCQCFKSA-N 2 1 265.401 2.078 10 0 CEAEMP COc1cccc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1 ZINC000091534072 180181679 /nfs/dbraw/zinc/18/16/79/180181679.db2.gz VCARLHWRXVPJFN-OAHLLOKOSA-N 2 1 262.397 2.439 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)nn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091640992 180213589 /nfs/dbraw/zinc/21/35/89/180213589.db2.gz VLGNIJGYUREKNS-MRXNPFEDSA-N 2 1 290.455 2.268 10 0 CEAEMP Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CCC[C@H]([NH3+])CC3)[nH]c12 ZINC000091644626 180215055 /nfs/dbraw/zinc/21/50/55/180215055.db2.gz LECGQFVKSDGIFZ-AWEZNQCLSA-N 2 1 299.418 2.458 10 0 CEAEMP Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCC[C@H]([NH3+])CC3)[nH]c12 ZINC000091644626 180215056 /nfs/dbraw/zinc/21/50/56/180215056.db2.gz LECGQFVKSDGIFZ-AWEZNQCLSA-N 2 1 299.418 2.458 10 0 CEAEMP C[NH2+][C@H](CCc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721465 180237850 /nfs/dbraw/zinc/23/78/50/180237850.db2.gz YVOIXEWYALPBLX-ZACQAIPSSA-N 2 1 274.408 2.070 10 0 CEAEMP C[NH2+][C@H](CCc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721465 180237854 /nfs/dbraw/zinc/23/78/54/180237854.db2.gz YVOIXEWYALPBLX-ZACQAIPSSA-N 2 1 274.408 2.070 10 0 CEAEMP CC[NH2+][C@H](C1CCCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721745 180238451 /nfs/dbraw/zinc/23/84/51/180238451.db2.gz WNKOLWKVWOPPGZ-OWCLPIDISA-N 2 1 266.429 2.408 10 0 CEAEMP CC[NH2+][C@H](C1CCCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721745 180238452 /nfs/dbraw/zinc/23/84/52/180238452.db2.gz WNKOLWKVWOPPGZ-OWCLPIDISA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C1CCC([NH3+])CC1 ZINC000091852457 180272921 /nfs/dbraw/zinc/27/29/21/180272921.db2.gz ZTTVMFNVLZKBEQ-QQFBHYJXSA-N 2 1 295.471 2.227 10 0 CEAEMP CC[N@@H+](C[C@@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850740 180272035 /nfs/dbraw/zinc/27/20/35/180272035.db2.gz QKTSMQWDVSKLCT-OFLPRAFFSA-N 2 1 276.424 2.486 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCCN(C)CC1 ZINC000091849842 180272110 /nfs/dbraw/zinc/27/21/10/180272110.db2.gz UBMGGQKDSCGHPA-SHARSMKWSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC000091849842 180272112 /nfs/dbraw/zinc/27/21/12/180272112.db2.gz UBMGGQKDSCGHPA-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC000091849842 180272114 /nfs/dbraw/zinc/27/21/14/180272114.db2.gz UBMGGQKDSCGHPA-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC000091849842 180272116 /nfs/dbraw/zinc/27/21/16/180272116.db2.gz UBMGGQKDSCGHPA-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC000091849842 180272119 /nfs/dbraw/zinc/27/21/19/180272119.db2.gz UBMGGQKDSCGHPA-SHARSMKWSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCN(CC)CC)CC1 ZINC000091870253 180277298 /nfs/dbraw/zinc/27/72/98/180277298.db2.gz INNPVYPHTVIJAJ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+]C1CCC(N(C)CC[NH+](CC)CC)CC1 ZINC000091870253 180277299 /nfs/dbraw/zinc/27/72/99/180277299.db2.gz INNPVYPHTVIJAJ-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC1CCC(C[NH3+])([C@]2(O)CC[N@H+](C3CC3)C2)CC1 ZINC000091907331 180283753 /nfs/dbraw/zinc/28/37/53/180283753.db2.gz XITGXKTXSRSJGI-BCLQGDPASA-N 2 1 266.429 2.131 10 0 CEAEMP CCC[NH2+]Cc1ccoc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003844 180304872 /nfs/dbraw/zinc/30/48/72/180304872.db2.gz KNTRVHYFLLUEFR-CVEARBPZSA-N 2 1 291.439 2.448 10 0 CEAEMP CC(C)CCC[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004506 180304904 /nfs/dbraw/zinc/30/49/04/180304904.db2.gz OHBRBPNDFYNAFZ-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092082161 180319369 /nfs/dbraw/zinc/31/93/69/180319369.db2.gz YMJCCWNNVNZKDL-XQQFMLRXSA-N 2 1 275.396 2.060 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1C(N)=[NH2+] ZINC000092085692 180320619 /nfs/dbraw/zinc/32/06/19/180320619.db2.gz IDFXQGIENBWYBY-PHIMTYICSA-N 2 1 261.369 2.067 10 0 CEAEMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc(OC)cc1 ZINC000105935703 186093926 /nfs/dbraw/zinc/09/39/26/186093926.db2.gz YKDOOEUPNZBDRN-HNNXBMFYSA-N 2 1 262.397 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc(OC)cc1 ZINC000105935703 186093928 /nfs/dbraw/zinc/09/39/28/186093928.db2.gz YKDOOEUPNZBDRN-HNNXBMFYSA-N 2 1 262.397 2.312 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000092330931 180364617 /nfs/dbraw/zinc/36/46/17/180364617.db2.gz LUTRBXXWBABSCF-CQSZACIVSA-N 2 1 264.417 2.001 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000092330931 180364618 /nfs/dbraw/zinc/36/46/18/180364618.db2.gz LUTRBXXWBABSCF-CQSZACIVSA-N 2 1 264.417 2.001 10 0 CEAEMP CCC[NH2+][C@@H](CCC)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000092626885 180419447 /nfs/dbraw/zinc/41/94/47/180419447.db2.gz ZKTUZCAJXRKKQS-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCOC(=O)C[N@H+](C(C)C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685048 186269088 /nfs/dbraw/zinc/26/90/88/186269088.db2.gz FFCYTEFXAZNYMS-RRFJBIMHSA-N 2 1 284.444 2.414 10 0 CEAEMP CCOC(=O)C[N@@H+](C(C)C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685048 186269089 /nfs/dbraw/zinc/26/90/89/186269089.db2.gz FFCYTEFXAZNYMS-RRFJBIMHSA-N 2 1 284.444 2.414 10 0 CEAEMP CC[N@H+]1CC[C@H](Cn2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629656 186307459 /nfs/dbraw/zinc/30/74/59/186307459.db2.gz SYDFNHBPXXBVCX-JTQLQIEISA-N 2 1 292.358 2.108 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2C[C@H]1CCC[N@@H+](C)C1 ZINC000110629939 186307776 /nfs/dbraw/zinc/30/77/76/186307776.db2.gz UCPFKJSVXOABTO-JTQLQIEISA-N 2 1 292.358 2.108 10 0 CEAEMP C[N@@H+](CCOc1ccc(C(N)=[NH2+])cc1)CC1CCCC1 ZINC000110837396 186327969 /nfs/dbraw/zinc/32/79/69/186327969.db2.gz MWBGMHFNJZZUDV-UHFFFAOYSA-N 2 1 275.396 2.471 10 0 CEAEMP CC[NH2+]Cc1ccc(CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110921491 186332007 /nfs/dbraw/zinc/33/20/07/186332007.db2.gz KGTBVDMAMLBIPQ-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110921491 186332008 /nfs/dbraw/zinc/33/20/08/186332008.db2.gz KGTBVDMAMLBIPQ-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110921491 186332009 /nfs/dbraw/zinc/33/20/09/186332009.db2.gz KGTBVDMAMLBIPQ-UHFFFAOYSA-N 2 1 275.440 2.322 10 0 CEAEMP CCCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000110940347 186334474 /nfs/dbraw/zinc/33/44/74/186334474.db2.gz GQHBRDDPUWFKRH-XUWVNRHRSA-N 2 1 295.471 2.238 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N2CCC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000110977909 186339168 /nfs/dbraw/zinc/33/91/68/186339168.db2.gz KZZOIVDYJWLLHG-WBVHZDCISA-N 2 1 291.414 2.304 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccsc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705155 186314210 /nfs/dbraw/zinc/31/42/10/186314210.db2.gz XLUBEWODOHONKA-DGCLKSJQSA-N 2 1 267.442 2.162 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110702003 186314236 /nfs/dbraw/zinc/31/42/36/186314236.db2.gz CZFAZBHBTYAPJB-OPQQBVKSSA-N 2 1 287.860 2.426 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110702003 186314237 /nfs/dbraw/zinc/31/42/37/186314237.db2.gz CZFAZBHBTYAPJB-OPQQBVKSSA-N 2 1 287.860 2.426 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716410 186315459 /nfs/dbraw/zinc/31/54/59/186315459.db2.gz ITWLNTWQYGAOBM-GOEBONIOSA-N 2 1 275.440 2.409 10 0 CEAEMP Cc1cc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000110711670 186315771 /nfs/dbraw/zinc/31/57/71/186315771.db2.gz UNIOWTUPNOEMDN-HNNXBMFYSA-N 2 1 279.403 2.160 10 0 CEAEMP COc1ccc([C@H]([NH3+])[C@@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716425 186315838 /nfs/dbraw/zinc/31/58/38/186315838.db2.gz PYIZHRHZGNQCAF-CZUORRHYSA-N 2 1 291.439 2.110 10 0 CEAEMP CCc1ccc([C@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716290 186316331 /nfs/dbraw/zinc/31/63/31/186316331.db2.gz GGCWHQGWYLQAQR-MRXNPFEDSA-N 2 1 275.440 2.275 10 0 CEAEMP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110711448 186316439 /nfs/dbraw/zinc/31/64/39/186316439.db2.gz VZJAKANWMPFZMD-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP CC(C)[NH2+]CC1(CN2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000110744904 186319466 /nfs/dbraw/zinc/31/94/66/186319466.db2.gz CODNIOBZSRDGFG-HNNXBMFYSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@@H](CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110746901 186319859 /nfs/dbraw/zinc/31/98/59/186319859.db2.gz WUGOFPTUODGZEB-INIZCTEOSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH2+]CC(C)C)C(C)C)CC[N@H+]1C ZINC000110754193 186320286 /nfs/dbraw/zinc/32/02/86/186320286.db2.gz XWFCLIUTWVBDEH-CVEARBPZSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[NH2+]Cc1cccc(CN2CC[N@@H+](C)[C@@H](CC)C2)c1 ZINC000110753983 186320561 /nfs/dbraw/zinc/32/05/61/186320561.db2.gz DDIOZKSMPCZLME-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCN(C)[C@@H](CC)C2)c1 ZINC000110753983 186320562 /nfs/dbraw/zinc/32/05/62/186320562.db2.gz DDIOZKSMPCZLME-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCN(C)[C@@H](CC)C2)c1 ZINC000110753983 186320563 /nfs/dbraw/zinc/32/05/63/186320563.db2.gz DDIOZKSMPCZLME-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[C@H]1CN(c2ncc(C[NH2+]CC(C)C)s2)CC[N@H+]1C ZINC000110758640 186320708 /nfs/dbraw/zinc/32/07/08/186320708.db2.gz YICAQHLLRAKOJV-ZDUSSCGKSA-N 2 1 296.484 2.419 10 0 CEAEMP COCC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337042950 365997193 /nfs/dbraw/zinc/99/71/93/365997193.db2.gz COLKMNMBBJJHBG-IMJJTQAJSA-N 2 1 262.397 2.086 10 0 CEAEMP C[N@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)C[C@H]1CCCOC1 ZINC000111154008 186361260 /nfs/dbraw/zinc/36/12/60/186361260.db2.gz CNQFGOWHLZOGAI-GFCCVEGCSA-N 2 1 288.395 2.046 10 0 CEAEMP C[N@@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)C[C@H]1CCCOC1 ZINC000111154008 186361262 /nfs/dbraw/zinc/36/12/62/186361262.db2.gz CNQFGOWHLZOGAI-GFCCVEGCSA-N 2 1 288.395 2.046 10 0 CEAEMP CCOCC[N@@H+](CC)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000111117114 186355437 /nfs/dbraw/zinc/35/54/37/186355437.db2.gz PKNNAVNGAZLVAZ-RRFJBIMHSA-N 2 1 256.434 2.498 10 0 CEAEMP [NH3+]C[C@@]1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CCCOC1 ZINC000111325933 186398793 /nfs/dbraw/zinc/39/87/93/186398793.db2.gz AOCXIENKRSHOAY-IAGOWNOFSA-N 2 1 274.408 2.231 10 0 CEAEMP CC[N@@H+](C[C@@]1(C[NH2+]C(C)C)CCCOC1)C1CC1 ZINC000111324699 186398907 /nfs/dbraw/zinc/39/89/07/186398907.db2.gz CHPZXZLNFZBAJP-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H]1CCCN(c2cc[nH+]cc2Br)[C@H]1C[NH3+] ZINC000252835398 540008882 /nfs/dbraw/zinc/00/88/82/540008882.db2.gz UQRGNOCUEZNRJZ-SKDRFNHKSA-N 2 1 284.201 2.408 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]cc2Cl)CC1 ZINC000176922837 189014450 /nfs/dbraw/zinc/01/44/50/189014450.db2.gz CCMLFGPYKUANEO-LBPRGKRZSA-N 2 1 297.830 2.264 10 0 CEAEMP Cc1c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cnn1C ZINC000093649202 364208975 /nfs/dbraw/zinc/20/89/75/364208975.db2.gz XVPTZPLRYODTFR-ZDUSSCGKSA-N 2 1 264.417 2.083 10 0 CEAEMP Cc1c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cnn1C ZINC000093649202 364208977 /nfs/dbraw/zinc/20/89/77/364208977.db2.gz XVPTZPLRYODTFR-ZDUSSCGKSA-N 2 1 264.417 2.083 10 0 CEAEMP CCC[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[NH+](C)C ZINC000162402460 367157839 /nfs/dbraw/zinc/15/78/39/367157839.db2.gz YPBGFIUXEFAXQR-CQSZACIVSA-N 2 1 292.427 2.039 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631845035 367587278 /nfs/dbraw/zinc/58/72/78/367587278.db2.gz RQEINXBHOHZAGI-JQWIXIFHSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631845035 367587285 /nfs/dbraw/zinc/58/72/85/367587285.db2.gz RQEINXBHOHZAGI-JQWIXIFHSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@@H]1C[NH+](C/C=C/C[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000171691248 367594242 /nfs/dbraw/zinc/59/42/42/367594242.db2.gz VZNPWDBMPYRTAX-ISANGGDFSA-N 2 1 286.510 2.417 10 0 CEAEMP C[C@@H]1C[N@H+](C/C=C/C[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000171691248 367594248 /nfs/dbraw/zinc/59/42/48/367594248.db2.gz VZNPWDBMPYRTAX-ISANGGDFSA-N 2 1 286.510 2.417 10 0 CEAEMP C[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000171691248 367594256 /nfs/dbraw/zinc/59/42/56/367594256.db2.gz VZNPWDBMPYRTAX-ISANGGDFSA-N 2 1 286.510 2.417 10 0 CEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cnc2ccccn12 ZINC000180838118 368398952 /nfs/dbraw/zinc/39/89/52/368398952.db2.gz CQXZCCDIHOITSN-HUUCEWRRSA-N 2 1 284.407 2.393 10 0 CEAEMP COc1ccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231670881 189814383 /nfs/dbraw/zinc/81/43/83/189814383.db2.gz GKOCPINOMZKJQS-CQSZACIVSA-N 2 1 278.396 2.148 10 0 CEAEMP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246843222 371020107 /nfs/dbraw/zinc/02/01/07/371020107.db2.gz BTJREJMSSCJSHZ-GJZGRUSLSA-N 2 1 293.411 2.388 10 0 CEAEMP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246843222 371020112 /nfs/dbraw/zinc/02/01/12/371020112.db2.gz BTJREJMSSCJSHZ-GJZGRUSLSA-N 2 1 293.411 2.388 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000246876199 371024218 /nfs/dbraw/zinc/02/42/18/371024218.db2.gz DGKQEQCEWKPNPB-MSOLQXFVSA-N 2 1 299.418 2.260 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000246876199 371024225 /nfs/dbraw/zinc/02/42/25/371024225.db2.gz DGKQEQCEWKPNPB-MSOLQXFVSA-N 2 1 299.418 2.260 10 0 CEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248397525 371186000 /nfs/dbraw/zinc/18/60/00/371186000.db2.gz LWUGTRHGNRWOFI-WDEREUQCSA-N 2 1 291.317 2.006 10 0 CEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248397525 371186002 /nfs/dbraw/zinc/18/60/02/371186002.db2.gz LWUGTRHGNRWOFI-WDEREUQCSA-N 2 1 291.317 2.006 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1cnccn1 ZINC000248598352 371219677 /nfs/dbraw/zinc/21/96/77/371219677.db2.gz BEMPWMNGZFHLPV-TZMCWYRMSA-N 2 1 271.368 2.207 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1cnccn1 ZINC000248598352 371219681 /nfs/dbraw/zinc/21/96/81/371219681.db2.gz BEMPWMNGZFHLPV-TZMCWYRMSA-N 2 1 271.368 2.207 10 0 CEAEMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000248622555 371225091 /nfs/dbraw/zinc/22/50/91/371225091.db2.gz NPCCWJUTKHIROV-UMVBOHGHSA-N 2 1 271.368 2.317 10 0 CEAEMP C[C@H](c1cnccn1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000248622555 371225095 /nfs/dbraw/zinc/22/50/95/371225095.db2.gz NPCCWJUTKHIROV-UMVBOHGHSA-N 2 1 271.368 2.317 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792264 371734486 /nfs/dbraw/zinc/73/44/86/371734486.db2.gz GHECCHOIYBJQQP-SIXLDLHFSA-N 2 1 280.456 2.248 10 0 CEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261914407 371768157 /nfs/dbraw/zinc/76/81/57/371768157.db2.gz JMOKPTUGAWVVNG-ZACQAIPSSA-N 2 1 292.398 2.115 10 0 CEAEMP c1ccc(C[N@H+]2C[C@H]3CN(C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944841 371779158 /nfs/dbraw/zinc/77/91/58/371779158.db2.gz NDXRIDRRZUQXEH-GBESFXJTSA-N 2 1 299.462 2.050 10 0 CEAEMP CC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000261988624 371789851 /nfs/dbraw/zinc/78/98/51/371789851.db2.gz SCLJGRCZPWFGAU-INIZCTEOSA-N 2 1 290.407 2.437 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000262030418 371804120 /nfs/dbraw/zinc/80/41/20/371804120.db2.gz XLMRWFINGUEPLQ-RBSFLKMASA-N 2 1 280.437 2.303 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400514774 375372169 /nfs/dbraw/zinc/37/21/69/375372169.db2.gz MSNGGJAWHOBMSO-VYDXJSESSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400514774 375372173 /nfs/dbraw/zinc/37/21/73/375372173.db2.gz MSNGGJAWHOBMSO-VYDXJSESSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562960088 377037402 /nfs/dbraw/zinc/03/74/02/377037402.db2.gz AZJDRUXVZCRCJU-SOLBZPMBSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562960088 377037416 /nfs/dbraw/zinc/03/74/16/377037416.db2.gz AZJDRUXVZCRCJU-SOLBZPMBSA-N 2 1 289.467 2.485 10 0 CEAEMP C[NH2+][C@@H]1CCC[C@@H]1CCN1CC[NH+](C(C)(C)C)CC1 ZINC000093552521 184690510 /nfs/dbraw/zinc/69/05/10/184690510.db2.gz XWQUYXNIQSMZLW-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@@H]1C[C@@H](C)CC(C[NH3+])(N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000094438893 184798892 /nfs/dbraw/zinc/79/88/92/184798892.db2.gz PREWQQJMGPMWPH-BZUAXINKSA-N 2 1 279.472 2.310 10 0 CEAEMP Cc1cccc([C@H]([NH3+])CCN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000094465934 184806115 /nfs/dbraw/zinc/80/61/15/184806115.db2.gz NLPSVIPSELCKRQ-IAGOWNOFSA-N 2 1 273.424 2.165 10 0 CEAEMP CC[NH2+][C@@H](C)c1ccnc(N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000094999765 184912675 /nfs/dbraw/zinc/91/26/75/184912675.db2.gz LMIHQXOZZIUQGR-UONOGXRCSA-N 2 1 276.428 2.140 10 0 CEAEMP CC[NH2+]C[C@@H]1CCCN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000088760866 135057131 /nfs/dbraw/zinc/05/71/31/135057131.db2.gz IBQWGSPUYJHKNP-ZDUSSCGKSA-N 2 1 262.401 2.173 10 0 CEAEMP CCc1cc(N2CCC([C@@H](C)[NH2+]C)CC2)nc(C)[nH+]1 ZINC000088759720 135057174 /nfs/dbraw/zinc/05/71/74/135057174.db2.gz SJUWEQHOWKHEAD-LLVKDONJSA-N 2 1 262.401 2.172 10 0 CEAEMP CSC1(C[NH3+])CCN(c2cccc(C)[nH+]2)CC1 ZINC000091470763 135070599 /nfs/dbraw/zinc/07/05/99/135070599.db2.gz RZTYVZFTWVIXPA-UHFFFAOYSA-N 2 1 251.399 2.051 10 0 CEAEMP COCC[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000094272881 135086018 /nfs/dbraw/zinc/08/60/18/135086018.db2.gz VTXISBLXOACKKX-LBPRGKRZSA-N 2 1 283.803 2.187 10 0 CEAEMP Cc1cc(C)c(C[NH3+])c(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000094443291 135088740 /nfs/dbraw/zinc/08/87/40/135088740.db2.gz LEFXROYZHMAUCF-LSDHHAIUSA-N 2 1 288.439 2.220 10 0 CEAEMP FC(F)(F)C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262043118 394612386 /nfs/dbraw/zinc/61/23/86/394612386.db2.gz YQEWIFZMLJTUCV-GHMZBOCLSA-N 2 1 250.308 2.260 10 0 CEAEMP CC(C)[NH2+]CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381047268 395170722 /nfs/dbraw/zinc/17/07/22/395170722.db2.gz FZSJEQROZTYOSV-OAHLLOKOSA-N 2 1 291.439 2.011 10 0 CEAEMP CCC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC1 ZINC000399004329 400563036 /nfs/dbraw/zinc/56/30/36/400563036.db2.gz VZJACISKZRSHSP-OAHLLOKOSA-N 2 1 254.418 2.002 10 0 CEAEMP Cc1[nH+]cn([C@H](C[NH3+])C(F)(F)C(F)(F)F)c1C ZINC000616568483 400669003 /nfs/dbraw/zinc/66/90/03/400669003.db2.gz AVPPNMVPIXDYOP-SSDOTTSWSA-N 2 1 257.206 2.197 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc[nH+]cc1Br ZINC000163721108 297114612 /nfs/dbraw/zinc/11/46/12/297114612.db2.gz KUONELCCUBNFJO-DTWKUNHWSA-N 2 1 270.174 2.031 10 0 CEAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000191805009 153189678 /nfs/dbraw/zinc/18/96/78/153189678.db2.gz KNFSBKFLGCABRO-INIZCTEOSA-N 2 1 278.444 2.388 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000037215260 173035111 /nfs/dbraw/zinc/03/51/11/173035111.db2.gz KOKYLMHKABOYRT-HNNXBMFYSA-N 2 1 252.402 2.186 10 0 CEAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[NH+](CCOC)CCOC ZINC000037489451 173231642 /nfs/dbraw/zinc/23/16/42/173231642.db2.gz SFHITWSUUHLESJ-LSDHHAIUSA-N 2 1 274.449 2.125 10 0 CEAEMP CCCCCC[C@H](C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508118 174302848 /nfs/dbraw/zinc/30/28/48/174302848.db2.gz HIWSJLGNRVOWGK-JKSUJKDBSA-N 2 1 295.471 2.242 10 0 CEAEMP CC[C@@H](C)C[C@H](CC)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508123 174303141 /nfs/dbraw/zinc/30/31/41/174303141.db2.gz CNGGNLWSVBAXBO-OWCLPIDISA-N 2 1 295.471 2.097 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000040592210 174347724 /nfs/dbraw/zinc/34/77/24/174347724.db2.gz BGHMOHLPJNRJTH-DZGCQCFKSA-N 2 1 260.381 2.442 10 0 CEAEMP C[C@H]1CCC[C@](C[NH2+]C[C@@H]2CCOC2)([NH+](C)C)C1 ZINC000040668424 174367750 /nfs/dbraw/zinc/36/77/50/174367750.db2.gz PXMPOCPSOKPNNL-KKUMJFAQSA-N 2 1 254.418 2.123 10 0 CEAEMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040735927 174389115 /nfs/dbraw/zinc/38/91/15/174389115.db2.gz DLIUAWNSRRAUNC-UKRRQHHQSA-N 2 1 262.397 2.255 10 0 CEAEMP CCc1cc(NCc2ccccc2C[NH2+]C)nc(C)[nH+]1 ZINC000404537967 414787139 /nfs/dbraw/zinc/78/71/39/414787139.db2.gz DTNAIGFNCNYENO-UHFFFAOYSA-N 2 1 270.380 2.101 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000311758313 414859531 /nfs/dbraw/zinc/85/95/31/414859531.db2.gz VZFIBEUSZZFMLB-LSDHHAIUSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000311758313 414859536 /nfs/dbraw/zinc/85/95/36/414859536.db2.gz VZFIBEUSZZFMLB-LSDHHAIUSA-N 2 1 264.413 2.347 10 0 CEAEMP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1F ZINC000311694693 414861392 /nfs/dbraw/zinc/86/13/92/414861392.db2.gz SUJBSSFBPCMDIZ-CYZMBNFOSA-N 2 1 264.344 2.003 10 0 CEAEMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1F ZINC000311694693 414861396 /nfs/dbraw/zinc/86/13/96/414861396.db2.gz SUJBSSFBPCMDIZ-CYZMBNFOSA-N 2 1 264.344 2.003 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](CC)CC1 ZINC000043363783 175023977 /nfs/dbraw/zinc/02/39/77/175023977.db2.gz URGKFIYPMPKOBH-UKRRQHHQSA-N 2 1 265.401 2.004 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCCCC1)OCCO2 ZINC000043814529 175111631 /nfs/dbraw/zinc/11/16/31/175111631.db2.gz JHVWEHJUYPKKDC-LSDHHAIUSA-N 2 1 282.428 2.136 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)CC(C)C)OCCO2 ZINC000043887111 175117792 /nfs/dbraw/zinc/11/77/92/175117792.db2.gz PSUREDJIZWGWBO-HUUCEWRRSA-N 2 1 284.444 2.238 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)CC(C)C)OCCO2 ZINC000043887111 175117793 /nfs/dbraw/zinc/11/77/93/175117793.db2.gz PSUREDJIZWGWBO-HUUCEWRRSA-N 2 1 284.444 2.238 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043890152 175118275 /nfs/dbraw/zinc/11/82/75/175118275.db2.gz PWQSAJRWRPHXHY-QEJZJMRPSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890165 175118281 /nfs/dbraw/zinc/11/82/81/175118281.db2.gz WIVGINFARQVGLG-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CCN(C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135379 175312668 /nfs/dbraw/zinc/31/26/68/175312668.db2.gz QGPIGGJCLXBGMQ-ULQDDVLXSA-N 2 1 281.488 2.427 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CCC)C(=O)OCC ZINC000045382379 175371321 /nfs/dbraw/zinc/37/13/21/175371321.db2.gz HXXJUPADLCSQEG-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CCC)C(=O)OCC ZINC000045382379 175371323 /nfs/dbraw/zinc/37/13/23/175371323.db2.gz HXXJUPADLCSQEG-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CC)C(=O)OC ZINC000045382720 175371415 /nfs/dbraw/zinc/37/14/15/175371415.db2.gz MCRUBWQKMDOZLR-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CC)C(=O)OC ZINC000045382720 175371416 /nfs/dbraw/zinc/37/14/16/175371416.db2.gz MCRUBWQKMDOZLR-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383831 175371535 /nfs/dbraw/zinc/37/15/35/175371535.db2.gz PFVQNSZOPIDSNY-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383831 175371537 /nfs/dbraw/zinc/37/15/37/175371537.db2.gz PFVQNSZOPIDSNY-AWEZNQCLSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)C1CCCC1 ZINC000045384652 175372403 /nfs/dbraw/zinc/37/24/03/175372403.db2.gz UQBFWKCVRCMNGH-HNNXBMFYSA-N 2 1 270.417 2.312 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](CC)C1CC1)[NH2+]C ZINC000045386355 175373078 /nfs/dbraw/zinc/37/30/78/175373078.db2.gz BPJOLEVJCCGIJI-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)C1CC1)[NH2+]C ZINC000045386355 175373079 /nfs/dbraw/zinc/37/30/79/175373079.db2.gz BPJOLEVJCCGIJI-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCCC(C[NH3+])(CCC)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071188581 176063467 /nfs/dbraw/zinc/06/34/67/176063467.db2.gz VHCIWPXAYWXDNR-AWEZNQCLSA-N 2 1 255.450 2.168 10 0 CEAEMP CC(C)C[NH2+]CC(C)(C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191516 176069280 /nfs/dbraw/zinc/06/92/80/176069280.db2.gz HTBPSPQNHAPPDA-OAHLLOKOSA-N 2 1 269.477 2.142 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191307 176069903 /nfs/dbraw/zinc/06/99/03/176069903.db2.gz SGKOAYISVMIRBV-OAGGEKHMSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)[NH2+][C@@H]1CCCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071199888 176077176 /nfs/dbraw/zinc/07/71/76/176077176.db2.gz YYBQSXCNMQRPCQ-OAHLLOKOSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](CCCOC)CCOC ZINC000071289283 176110232 /nfs/dbraw/zinc/11/02/32/176110232.db2.gz BBBFNTYVRUDDKS-UHFFFAOYSA-N 2 1 274.449 2.141 10 0 CEAEMP C[NH2+]CCCCCC[N@@H+](CCN(C)C)CC(C)C ZINC000071288426 176110702 /nfs/dbraw/zinc/11/07/02/176110702.db2.gz HGHYYBWQXAVHCH-UHFFFAOYSA-N 2 1 257.466 2.286 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071351162 176134354 /nfs/dbraw/zinc/13/43/54/176134354.db2.gz ABSDEHQWMBARGP-IAGOWNOFSA-N 2 1 290.455 2.290 10 0 CEAEMP Cc1nocc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000662270683 415736145 /nfs/dbraw/zinc/73/61/45/415736145.db2.gz BXDKGEJCCNWPJK-ZBFHGGJFSA-N 2 1 271.364 2.157 10 0 CEAEMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519283 260104394 /nfs/dbraw/zinc/10/43/94/260104394.db2.gz XMGASPKTPBLSAF-RDBSUJKOSA-N 2 1 299.459 2.362 10 0 CEAEMP C[C@@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390673769 262237800 /nfs/dbraw/zinc/23/78/00/262237800.db2.gz SUBQTSUEHGNNQT-MIGBEJBISA-N 2 1 287.451 2.366 10 0 CEAEMP C[C@@H](C[NH3+])C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390673769 262237801 /nfs/dbraw/zinc/23/78/01/262237801.db2.gz SUBQTSUEHGNNQT-MIGBEJBISA-N 3 1 287.451 2.366 10 0 CEAEMP C[C@@H](C[NH3+])C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390673769 262237802 /nfs/dbraw/zinc/23/78/02/262237802.db2.gz SUBQTSUEHGNNQT-MIGBEJBISA-N 3 1 287.451 2.366 10 0 CEAEMP CC(C)CCO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178973868 277358278 /nfs/dbraw/zinc/35/82/78/277358278.db2.gz BUPHWKIHWPONRX-OAHLLOKOSA-N 2 1 254.418 2.123 10 0 CEAEMP COC(=O)c1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000226466323 280215293 /nfs/dbraw/zinc/21/52/93/280215293.db2.gz HIMNGGISYSQWQU-HNNXBMFYSA-N 2 1 276.380 2.047 10 0 CEAEMP [NH3+]C1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1 ZINC000333160189 303362520 /nfs/dbraw/zinc/36/25/20/303362520.db2.gz NTJZXOIRUCCUOV-GQGLESIBSA-N 3 1 291.414 2.131 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H](C)CC1)C(N)=O ZINC000068646946 519736831 /nfs/dbraw/zinc/73/68/31/519736831.db2.gz UBBMACHIXFFICA-YCPHGPKFSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCC[C@@H](C)CC1)C(N)=O ZINC000068646946 519736832 /nfs/dbraw/zinc/73/68/32/519736832.db2.gz UBBMACHIXFFICA-YCPHGPKFSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)CCC(C)C)CCOCC1 ZINC000052197840 519911469 /nfs/dbraw/zinc/91/14/69/519911469.db2.gz UZLLYOKVIPMDQX-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182187 519910714 /nfs/dbraw/zinc/91/07/14/519910714.db2.gz UZMIAGBZGNGTMJ-CQSZACIVSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CC)CC2CC2)CCOC1 ZINC000069239879 519928630 /nfs/dbraw/zinc/92/86/30/519928630.db2.gz FMLXGHGIBCSKAG-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)C1CCOCC1 ZINC000052481177 519972523 /nfs/dbraw/zinc/97/25/23/519972523.db2.gz CPXSNTBVXXWTEV-UHFFFAOYSA-N 2 1 266.385 2.390 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OC ZINC000069239519 520033628 /nfs/dbraw/zinc/03/36/28/520033628.db2.gz IEGRDISJTPFAJC-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)CC1CC1)C(=O)OC ZINC000069239519 520033637 /nfs/dbraw/zinc/03/36/37/520033637.db2.gz IEGRDISJTPFAJC-INIZCTEOSA-N 2 1 284.444 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068620985 520039051 /nfs/dbraw/zinc/03/90/51/520039051.db2.gz CBFBRUHMTQLBEQ-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068620985 520039065 /nfs/dbraw/zinc/03/90/65/520039065.db2.gz CBFBRUHMTQLBEQ-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[NH+]1CCC(C)(C)CC1 ZINC000061821833 521152628 /nfs/dbraw/zinc/15/26/28/521152628.db2.gz GDLZPAWAKIVEHW-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000050953899 518382717 /nfs/dbraw/zinc/38/27/17/518382717.db2.gz VMLFPPYCSHIOCV-HUUCEWRRSA-N 2 1 252.402 2.020 10 0 CEAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000050953904 518383680 /nfs/dbraw/zinc/38/36/80/518383680.db2.gz VMLFPPYCSHIOCV-CABCVRRESA-N 2 1 252.402 2.020 10 0 CEAEMP CC(C)C[N@@H+](CCC[C@@H]1CCC[NH2+]1)CCN(C)C ZINC000052764552 519715665 /nfs/dbraw/zinc/71/56/65/519715665.db2.gz ARLNKLMIFZWHPK-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[N@@H+](CCn1cc(C[NH2+]C(C)C)nn1)C(C)C ZINC000052572599 519717140 /nfs/dbraw/zinc/71/71/40/519717140.db2.gz ZSORZXVGXLVZEI-UHFFFAOYSA-N 2 1 281.448 2.143 10 0 CEAEMP CC(C)N[C@@](C)(C[C@H](C)[N@H+]1CCC[C@@H](C)CC1)C(N)=O ZINC000068646946 519736830 /nfs/dbraw/zinc/73/68/30/519736830.db2.gz UBBMACHIXFFICA-YCPHGPKFSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571936 519748053 /nfs/dbraw/zinc/74/80/53/519748053.db2.gz DGVWLMDFNHYUIT-OAHLLOKOSA-N 2 1 295.475 2.390 10 0 CEAEMP CC(C)[C@@H](C[NH+](C)C)NCC[C@H]1CCCC[N@H+]1C ZINC000052205967 519793552 /nfs/dbraw/zinc/79/35/52/519793552.db2.gz RIQSVBVMTPUGLX-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205967 519793553 /nfs/dbraw/zinc/79/35/53/519793553.db2.gz RIQSVBVMTPUGLX-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052205967 519793554 /nfs/dbraw/zinc/79/35/54/519793554.db2.gz RIQSVBVMTPUGLX-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@@H+](C)C1 ZINC000054628922 519908907 /nfs/dbraw/zinc/90/89/07/519908907.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 2 1 279.472 2.323 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCN(C)C1 ZINC000054628922 519908911 /nfs/dbraw/zinc/90/89/11/519908911.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 2 1 279.472 2.323 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC000054628922 519908915 /nfs/dbraw/zinc/90/89/15/519908915.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 2 1 279.472 2.323 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@H](OCC)C2)CCOCC1 ZINC000052198127 519910681 /nfs/dbraw/zinc/91/06/81/519910681.db2.gz HZVRLXDVFFWSCI-INIZCTEOSA-N 2 1 298.471 2.284 10 0 CEAEMP CCC[NH2+]CCCC[N@@H+](CCN(C)C)CC(C)C ZINC000052503255 519912609 /nfs/dbraw/zinc/91/26/09/519912609.db2.gz XLNFTSDNHVRGFY-UHFFFAOYSA-N 2 1 257.466 2.286 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180690 519912893 /nfs/dbraw/zinc/91/28/93/519912893.db2.gz KHBJBDPUOFUBGE-CQSZACIVSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+]2CCC[C@H]2CN(C)C)CCCC1 ZINC000061653475 519913252 /nfs/dbraw/zinc/91/32/52/519913252.db2.gz QNSOJLPFDCLIKH-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H]2CN(C)C)CCCC1 ZINC000061653475 519913256 /nfs/dbraw/zinc/91/32/56/519913256.db2.gz QNSOJLPFDCLIKH-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH2+]CCCCC[N@@H+](CCN(C)C)CC(C)C ZINC000052503377 519919215 /nfs/dbraw/zinc/91/92/15/519919215.db2.gz JBICIDMHOLHLHU-UHFFFAOYSA-N 2 1 257.466 2.286 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479259 519939057 /nfs/dbraw/zinc/93/90/57/519939057.db2.gz LEFSDNUQMBMQDH-NWANDNLSSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011835 519951028 /nfs/dbraw/zinc/95/10/28/519951028.db2.gz DKWXDPMJCKMJDX-AWEZNQCLSA-N 2 1 250.361 2.300 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2F)O1 ZINC000052541467 519952125 /nfs/dbraw/zinc/95/21/25/519952125.db2.gz BLWPUWHVKPVCEF-GJZGRUSLSA-N 2 1 280.387 2.415 10 0 CEAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504444 519958636 /nfs/dbraw/zinc/95/86/36/519958636.db2.gz MZVAYSZDRYTUNR-ZDUSSCGKSA-N 2 1 281.448 2.144 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000052541093 520007151 /nfs/dbraw/zinc/00/71/51/520007151.db2.gz XUWPZHSRTCRYLK-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+][C@@H](CC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000053932124 520088235 /nfs/dbraw/zinc/08/82/35/520088235.db2.gz RHCJJARPFDGAIT-INIZCTEOSA-N 2 1 262.397 2.184 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637673 520110382 /nfs/dbraw/zinc/11/03/82/520110382.db2.gz ZUMMPALWEWLADR-GDBMZVCRSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637673 520110386 /nfs/dbraw/zinc/11/03/86/520110386.db2.gz ZUMMPALWEWLADR-GDBMZVCRSA-N 2 1 285.476 2.375 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C(C)(C)CC)C(N)=O ZINC000069446565 520228104 /nfs/dbraw/zinc/22/81/04/520228104.db2.gz WUMKTFBMMAITTG-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052372313 520319811 /nfs/dbraw/zinc/31/98/11/520319811.db2.gz VESKINPBPNDMLD-CQSZACIVSA-N 2 1 266.385 2.308 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052198140 520528239 /nfs/dbraw/zinc/52/82/39/520528239.db2.gz GKXBVSYCCAYESW-INIZCTEOSA-N 2 1 296.455 2.036 10 0 CEAEMP CCC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068695581 520842933 /nfs/dbraw/zinc/84/29/33/520842933.db2.gz DWXRWQQJECNDJJ-HZPDHXFCSA-N 2 1 278.444 2.290 10 0 CEAEMP CCC[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052181426 521618613 /nfs/dbraw/zinc/61/86/13/521618613.db2.gz JCRZKJKHMOMTTO-UHFFFAOYSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815693 521717504 /nfs/dbraw/zinc/71/75/04/521717504.db2.gz KNDMZMVZUKLBEY-OAHLLOKOSA-N 2 1 262.397 2.387 10 0 CEAEMP CC[C@@H](C)C[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052454189 521971061 /nfs/dbraw/zinc/97/10/61/521971061.db2.gz WSTGYNPQYKXIEY-CQSZACIVSA-N 2 1 281.448 2.002 10 0 CEAEMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376268 522018996 /nfs/dbraw/zinc/01/89/96/522018996.db2.gz ZSXJNKLNIKPGBQ-HNNXBMFYSA-N 2 1 275.440 2.423 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000052543509 522122124 /nfs/dbraw/zinc/12/21/24/522122124.db2.gz JNMWLMWYVKQCGY-CQSZACIVSA-N 2 1 292.423 2.284 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCCSCC1 ZINC000052371174 522134421 /nfs/dbraw/zinc/13/44/21/522134421.db2.gz OLKSXDRSFSPAAQ-UHFFFAOYSA-N 2 1 250.411 2.345 10 0 CEAEMP C[NH2+]Cc1occc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417313 522164922 /nfs/dbraw/zinc/16/49/22/522164922.db2.gz NTTGKEFGFQWGRM-UHFFFAOYSA-N 2 1 285.391 2.321 10 0 CEAEMP CCc1[nH+]c2cc(N)ccc2n1C1CC[NH+](C)CC1 ZINC000052852564 522487516 /nfs/dbraw/zinc/48/75/16/522487516.db2.gz ROKBYZHSMNFWDP-UHFFFAOYSA-N 2 1 258.369 2.448 10 0 CEAEMP C[N@@H+](CC1CCCCC1)CC1(C[NH3+])CCOCC1 ZINC000052197920 522656244 /nfs/dbraw/zinc/65/62/44/522656244.db2.gz IITNDJPPCCVSTM-UHFFFAOYSA-N 2 1 254.418 2.254 10 0 CEAEMP C[N@@H+](CCc1ccncc1)Cc1cc(F)ccc1C[NH3+] ZINC000069401272 522977346 /nfs/dbraw/zinc/97/73/46/522977346.db2.gz RAEZUURJLBYCAS-UHFFFAOYSA-N 2 1 273.355 2.354 10 0 CEAEMP COCCC[N@@H+](CCOC)Cc1ccoc1C[NH2+]C(C)C ZINC000052543249 523256742 /nfs/dbraw/zinc/25/67/42/523256742.db2.gz ZJKBZCYLRVTWDZ-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP C[N@H+](Cc1cccc(F)c1)Cc1ccnc(C[NH3+])c1 ZINC000068749422 523310711 /nfs/dbraw/zinc/31/07/11/523310711.db2.gz KSMCFWYEUREVCM-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP C[N@@H+](Cc1cccc(F)c1)Cc1ccnc(C[NH3+])c1 ZINC000068749422 523310719 /nfs/dbraw/zinc/31/07/19/523310719.db2.gz KSMCFWYEUREVCM-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571292 523350658 /nfs/dbraw/zinc/35/06/58/523350658.db2.gz SOBJLPNAAOGTKZ-OLZOCXBDSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571292 523350662 /nfs/dbraw/zinc/35/06/62/523350662.db2.gz SOBJLPNAAOGTKZ-OLZOCXBDSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@](C)(CO)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000051293985 523464322 /nfs/dbraw/zinc/46/43/22/523464322.db2.gz MFKLQJOTPVMISW-INIZCTEOSA-N 2 1 268.445 2.345 10 0 CEAEMP CC[C@@]1(C)C[NH2+][C@@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068704266 523718496 /nfs/dbraw/zinc/71/84/96/523718496.db2.gz MZGHTGZUUHLOPT-CVEARBPZSA-N 2 1 278.444 2.290 10 0 CEAEMP COCC[N@@H+](C[C@@H](C)C[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545311 523729137 /nfs/dbraw/zinc/72/91/37/523729137.db2.gz KFCHDDWMYMOWCX-STQMWFEESA-N 2 1 254.418 2.121 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOc1cccc(Cl)c1C(N)=[NH2+] ZINC000052907603 523824059 /nfs/dbraw/zinc/82/40/59/523824059.db2.gz OYTAZXMXJIIQJT-SNVBAGLBSA-N 2 1 281.787 2.487 10 0 CEAEMP COc1ccc(C[N@@H+](C)Cc2ccoc2C[NH3+])cc1 ZINC000052541613 524005874 /nfs/dbraw/zinc/00/58/74/524005874.db2.gz MJMDHXIGHPLHIE-UHFFFAOYSA-N 2 1 260.337 2.379 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180699 524098731 /nfs/dbraw/zinc/09/87/31/524098731.db2.gz AUGKCSHAXLVDBX-CQSZACIVSA-N 2 1 266.429 2.410 10 0 CEAEMP C[C@H](CCC[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571670 524143364 /nfs/dbraw/zinc/14/33/64/524143364.db2.gz SMUHCJFLPHMJDK-CQSZACIVSA-N 2 1 267.461 2.323 10 0 CEAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553679 524476827 /nfs/dbraw/zinc/47/68/27/524476827.db2.gz UKKJRTPWPIPLEA-RYUDHWBXSA-N 2 1 291.395 2.008 10 0 CEAEMP C[C@H](Cc1ccco1)[NH2+]C[C@H]([NH3+])Cc1ccccc1 ZINC000049147231 524747712 /nfs/dbraw/zinc/74/77/12/524747712.db2.gz WOPQHZLLCQGFLF-UKRRQHHQSA-N 2 1 258.365 2.370 10 0 CEAEMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1C ZINC000052790278 524758271 /nfs/dbraw/zinc/75/82/71/524758271.db2.gz IUSGPRVJQPMVGX-AWEZNQCLSA-N 2 1 261.413 2.216 10 0 CEAEMP COc1ccc(OCC[N@@H+]2CCC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000062707722 524954555 /nfs/dbraw/zinc/95/45/55/524954555.db2.gz ICFGLAGSQQSWQU-QGZVFWFLSA-N 2 1 292.423 2.394 10 0 CEAEMP COc1ccc(OCC[N@H+]2CCC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000062707722 524954567 /nfs/dbraw/zinc/95/45/67/524954567.db2.gz ICFGLAGSQQSWQU-QGZVFWFLSA-N 2 1 292.423 2.394 10 0 CEAEMP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053206142 526097080 /nfs/dbraw/zinc/09/70/80/526097080.db2.gz UHYXLPFJKHGHPN-USXIJHARSA-N 2 1 275.440 2.143 10 0 CEAEMP C[C@@H](c1cccs1)[N@@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275477 526142513 /nfs/dbraw/zinc/14/25/13/526142513.db2.gz DASMLJPYVHEOKB-ZDUSSCGKSA-N 2 1 267.442 2.036 10 0 CEAEMP Cc1nc(N2CC[NH+](C)CC2)sc1C[NH2+]C(C)(C)C ZINC000054995364 526967251 /nfs/dbraw/zinc/96/72/51/526967251.db2.gz IXYDWSKUEMIUPR-UHFFFAOYSA-N 2 1 282.457 2.091 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cc(F)cc(F)c1 ZINC000054628556 527146832 /nfs/dbraw/zinc/14/68/32/527146832.db2.gz MPUDYPSHZATWRY-GOOCMWNKSA-N 2 1 266.335 2.461 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cc(F)cc(F)c1 ZINC000054628556 527146838 /nfs/dbraw/zinc/14/68/38/527146838.db2.gz MPUDYPSHZATWRY-GOOCMWNKSA-N 2 1 266.335 2.461 10 0 CEAEMP [NH3+]C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517647 527239492 /nfs/dbraw/zinc/23/94/92/527239492.db2.gz ZYPQQXKQOZDCEJ-QLFBSQMISA-N 2 1 252.402 2.147 10 0 CEAEMP CC[NH2+]Cc1cc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ccn1 ZINC000094443301 535478725 /nfs/dbraw/zinc/47/87/25/535478725.db2.gz SDAIFYAHFGANHX-WMLDXEAASA-N 2 1 288.439 2.254 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000124002250 623558148 /nfs/dbraw/zinc/55/81/48/623558148.db2.gz HYSKUNUHGWWSTR-WMLDXEAASA-N 2 1 285.435 2.001 10 0 CEAEMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399106774 628776308 /nfs/dbraw/zinc/77/63/08/628776308.db2.gz XYLYAPPKMALGMX-AWEZNQCLSA-N 2 1 276.424 2.356 10 0 CEAEMP C[N@@H+]([C@H]1C[C@@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264543 539212746 /nfs/dbraw/zinc/21/27/46/539212746.db2.gz URQOCWJRGDULTF-KGLIPLIRSA-N 2 1 252.402 2.147 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262336052 344654470 /nfs/dbraw/zinc/65/44/70/344654470.db2.gz ZEBGIMGNJSLKAE-OWCLPIDISA-N 2 1 295.471 2.275 10 0 CEAEMP C[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307399201 344722406 /nfs/dbraw/zinc/72/24/06/344722406.db2.gz VUIBAYGKFDAQJI-FZCLSBEQSA-N 2 1 287.451 2.461 10 0 CEAEMP c1ccc(C[N@H+]2CCCN([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500164 344713856 /nfs/dbraw/zinc/71/38/56/344713856.db2.gz MSLPODGGGOHCRJ-GOSISDBHSA-N 2 1 287.451 2.336 10 0 CEAEMP c1ccc(CN2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500164 344713861 /nfs/dbraw/zinc/71/38/61/344713861.db2.gz MSLPODGGGOHCRJ-GOSISDBHSA-N 2 1 287.451 2.336 10 0 CEAEMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000399191813 344856818 /nfs/dbraw/zinc/85/68/18/344856818.db2.gz QEYLJEIHHZCBMA-DZGCQCFKSA-N 2 1 254.418 2.002 10 0 CEAEMP C[C@H]1CC2(CC[N@@H+](CCC[NH+](C)C)C2)C[C@H](C)O1 ZINC000584640946 344972214 /nfs/dbraw/zinc/97/22/14/344972214.db2.gz WIKJZUNLRCPHQY-KBPBESRZSA-N 2 1 254.418 2.218 10 0 CEAEMP C[C@H]1CC[C@](C[NH3+])(N2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000084989647 178939899 /nfs/dbraw/zinc/93/98/99/178939899.db2.gz OLDHUJVGXKCPRU-ZOBUZTSGSA-N 2 1 281.488 2.414 10 0 CEAEMP Cc1nccn1CC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403841 179052961 /nfs/dbraw/zinc/05/29/61/179052961.db2.gz DJQLGZRAHUUESS-QGZVFWFLSA-N 2 1 290.455 2.436 10 0 CEAEMP C([C@@H]1CCCO1)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403683 179053119 /nfs/dbraw/zinc/05/31/19/179053119.db2.gz CKCYVIFQRJRPTO-JKSUJKDBSA-N 2 1 266.429 2.410 10 0 CEAEMP CCCNC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403666 179053300 /nfs/dbraw/zinc/05/33/00/179053300.db2.gz VQSDDIMRZXGJJJ-GDBMZVCRSA-N 2 1 295.471 2.145 10 0 CEAEMP CC[C@]1(C)C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000085471202 179076674 /nfs/dbraw/zinc/07/66/74/179076674.db2.gz DMMVUYYRNVBJJO-OAHLLOKOSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085528380 179091102 /nfs/dbraw/zinc/09/11/02/179091102.db2.gz LLNIPHUWXVEOOW-JKSUJKDBSA-N 2 1 276.428 2.044 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000085529667 179091681 /nfs/dbraw/zinc/09/16/81/179091681.db2.gz MCEVDSBLTHALHM-YOEHRIQHSA-N 2 1 290.455 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1CCCOCC(F)(F)F ZINC000085626723 179107190 /nfs/dbraw/zinc/10/71/90/179107190.db2.gz ONYIYUGTBSCRGM-YPMHNXCESA-N 2 1 294.361 2.418 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085608428 179101803 /nfs/dbraw/zinc/10/18/03/179101803.db2.gz ULBRYAHZIQYDKS-LBPRGKRZSA-N 2 1 282.350 2.275 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609433 179101844 /nfs/dbraw/zinc/10/18/44/179101844.db2.gz ULLRVVFDJUXDNO-ILXRZTDVSA-N 2 1 254.418 2.266 10 0 CEAEMP c1ccc2c(c1)CCO[C@@H]2C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616207 179103596 /nfs/dbraw/zinc/10/35/96/179103596.db2.gz ZUOLJMZKNQCALV-ZWKOTPCHSA-N 2 1 286.419 2.374 10 0 CEAEMP c1ccc2c(c1)CCO[C@@H]2C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616207 179103597 /nfs/dbraw/zinc/10/35/97/179103597.db2.gz ZUOLJMZKNQCALV-ZWKOTPCHSA-N 2 1 286.419 2.374 10 0 CEAEMP c1cnn(CC[N@@H+]2CCC[NH2+][C@@H](C3CCCCC3)C2)c1 ZINC000085615189 179103787 /nfs/dbraw/zinc/10/37/87/179103787.db2.gz KEXMFHCWNVCTOW-MRXNPFEDSA-N 2 1 276.428 2.127 10 0 CEAEMP c1cnn(CC[N@H+]2CCC[NH2+][C@@H](C3CCCCC3)C2)c1 ZINC000085615189 179103789 /nfs/dbraw/zinc/10/37/89/179103789.db2.gz KEXMFHCWNVCTOW-MRXNPFEDSA-N 2 1 276.428 2.127 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624332 179107439 /nfs/dbraw/zinc/10/74/39/179107439.db2.gz HVIDODIXTBRKFF-HZSPNIEDSA-N 2 1 254.418 2.264 10 0 CEAEMP Cc1nccn1CC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623231 179105907 /nfs/dbraw/zinc/10/59/07/179105907.db2.gz XCFDSGGPGNPPOM-CQSZACIVSA-N 2 1 276.428 2.188 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085971336 179206452 /nfs/dbraw/zinc/20/64/52/179206452.db2.gz JNXHIWCFRNGHBY-QXSJWSMHSA-N 2 1 268.445 2.248 10 0 CEAEMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1N1CC[NH2+]C2(CCCCC2)C1 ZINC000086144837 179237653 /nfs/dbraw/zinc/23/76/53/179237653.db2.gz UOSOMODBXGXTJV-HZPDHXFCSA-N 2 1 277.456 2.221 10 0 CEAEMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](c2ccccc2)CN1 ZINC000086173649 179243999 /nfs/dbraw/zinc/24/39/99/179243999.db2.gz FMUUUCIOKPHMEH-QAPCUYQASA-N 2 1 287.451 2.363 10 0 CEAEMP C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173649 179244000 /nfs/dbraw/zinc/24/40/00/179244000.db2.gz FMUUUCIOKPHMEH-QAPCUYQASA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145693 179239063 /nfs/dbraw/zinc/23/90/63/179239063.db2.gz OJXWZAMVKQJFNF-HOCLYGCPSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145693 179239064 /nfs/dbraw/zinc/23/90/64/179239064.db2.gz OJXWZAMVKQJFNF-HOCLYGCPSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146517 179239201 /nfs/dbraw/zinc/23/92/01/179239201.db2.gz YLYXUBSZBDWAIV-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225410 179253936 /nfs/dbraw/zinc/25/39/36/179253936.db2.gz UHJZKOZGAZMPMA-OAGGEKHMSA-N 2 1 267.461 2.323 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260732 179259979 /nfs/dbraw/zinc/25/99/79/179259979.db2.gz TXOHEJOTPDKCFQ-KBAYOESNSA-N 2 1 293.499 2.425 10 0 CEAEMP C[C@H]([C@@H]1CCCO1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287095 179264758 /nfs/dbraw/zinc/26/47/58/179264758.db2.gz BGLWGTDPGPQTDL-KGLIPLIRSA-N 2 1 252.402 2.162 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCCN[C@H](C(C)(C)C)C2)CC1 ZINC000086291460 179265643 /nfs/dbraw/zinc/26/56/43/179265643.db2.gz PNEONAYHTSYYAM-HNNXBMFYSA-N 2 1 267.461 2.038 10 0 CEAEMP C[NH+]1CCC(CN2CCC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086291460 179265647 /nfs/dbraw/zinc/26/56/47/179265647.db2.gz PNEONAYHTSYYAM-HNNXBMFYSA-N 2 1 267.461 2.038 10 0 CEAEMP CCC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293850 179268083 /nfs/dbraw/zinc/26/80/83/179268083.db2.gz RBMJTKYIAVYNDE-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP CCC[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293850 179268085 /nfs/dbraw/zinc/26/80/85/179268085.db2.gz RBMJTKYIAVYNDE-CVEARBPZSA-N 2 1 274.408 2.454 10 0 CEAEMP C[NH2+][C@H]1CCCc2sc(N(C)C[C@@H]3CC[N@@H+](C)C3)nc21 ZINC000086444119 179293933 /nfs/dbraw/zinc/29/39/33/179293933.db2.gz WKTOVOLSYZGNKH-NEPJUHHUSA-N 2 1 294.468 2.128 10 0 CEAEMP CN(c1ccccc1F)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819529 179347899 /nfs/dbraw/zinc/34/78/99/179347899.db2.gz SLFWTBFOSQQGGH-HNNXBMFYSA-N 2 1 265.376 2.075 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]CCCOCc2ccco2)CC1 ZINC000086817377 179345351 /nfs/dbraw/zinc/34/53/51/179345351.db2.gz HLTMMFVNJIREHJ-AWEZNQCLSA-N 2 1 266.385 2.260 10 0 CEAEMP COCc1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818623 179346678 /nfs/dbraw/zinc/34/66/78/179346678.db2.gz KEEQCNDREXQOER-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846184 179355736 /nfs/dbraw/zinc/35/57/36/179355736.db2.gz OPJDMAAKSSQRCG-LSDHHAIUSA-N 2 1 253.434 2.064 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848496 179356336 /nfs/dbraw/zinc/35/63/36/179356336.db2.gz CKRPTXCUZPLFNX-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848217 179357240 /nfs/dbraw/zinc/35/72/40/179357240.db2.gz KARYFSUSINTHAQ-HNNXBMFYSA-N 2 1 296.484 2.168 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847087 179357367 /nfs/dbraw/zinc/35/73/67/179357367.db2.gz ISFUYYPCWBKVQC-QGZVFWFLSA-N 2 1 290.455 2.105 10 0 CEAEMP C[NH2+]C[C@H]1CCCN([C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086850840 179357584 /nfs/dbraw/zinc/35/75/84/179357584.db2.gz IEADDQVDLBJPAM-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086850840 179357585 /nfs/dbraw/zinc/35/75/85/179357585.db2.gz IEADDQVDLBJPAM-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086850840 179357588 /nfs/dbraw/zinc/35/75/88/179357588.db2.gz IEADDQVDLBJPAM-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP C[NH2+]C[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086850840 179357590 /nfs/dbraw/zinc/35/75/90/179357590.db2.gz IEADDQVDLBJPAM-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP C[NH2+]C[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086850840 179357592 /nfs/dbraw/zinc/35/75/92/179357592.db2.gz IEADDQVDLBJPAM-HZPDHXFCSA-N 3 1 267.461 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836307 179352082 /nfs/dbraw/zinc/35/20/82/179352082.db2.gz ZYJWVCHGOIBTBY-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836307 179352085 /nfs/dbraw/zinc/35/20/85/179352085.db2.gz ZYJWVCHGOIBTBY-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)N(C)C)CC1 ZINC000086836307 179352087 /nfs/dbraw/zinc/35/20/87/179352087.db2.gz ZYJWVCHGOIBTBY-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843161 179352576 /nfs/dbraw/zinc/35/25/76/179352576.db2.gz ZUMYDPFNQZNYTG-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H](C)C2)CC1 ZINC000086846247 179354385 /nfs/dbraw/zinc/35/43/85/179354385.db2.gz YJJFXFFHBSSMBX-HZPDHXFCSA-N 2 1 267.461 2.310 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086867742 179361025 /nfs/dbraw/zinc/36/10/25/179361025.db2.gz XZNKHZJOFZTOBQ-LSDHHAIUSA-N 2 1 254.418 2.144 10 0 CEAEMP C[NH2+]C[C@H]1CCCCN1[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086850972 179358958 /nfs/dbraw/zinc/35/89/58/179358958.db2.gz BMJPAKDKBIXKBC-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP CC1(C)CCC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916922 179367954 /nfs/dbraw/zinc/36/79/54/179367954.db2.gz QZXLKVRGWVGDAR-GJZGRUSLSA-N 2 1 295.471 2.132 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016891 179380910 /nfs/dbraw/zinc/38/09/10/179380910.db2.gz JNHUNOVWTSWMHJ-HUUCEWRRSA-N 2 1 268.445 2.392 10 0 CEAEMP CC[C@@H](C)SC[C@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000087135884 179396644 /nfs/dbraw/zinc/39/66/44/179396644.db2.gz SNGNJQYZMHSWKZ-PWSUYJOCSA-N 2 1 253.415 2.326 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616600233 348530011 /nfs/dbraw/zinc/53/00/11/348530011.db2.gz APCIXOCJBLZTJO-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616600233 348530014 /nfs/dbraw/zinc/53/00/14/348530014.db2.gz APCIXOCJBLZTJO-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000090566331 180005495 /nfs/dbraw/zinc/00/54/95/180005495.db2.gz NWYMCAOGUZYXKF-WBVHZDCISA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](CCOC)C(CC)CC ZINC000090566570 180006244 /nfs/dbraw/zinc/00/62/44/180006244.db2.gz OHLXFIMDKJQNKN-GOEBONIOSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000090567247 180006812 /nfs/dbraw/zinc/00/68/12/180006812.db2.gz URDUYAOJVGLPIZ-WCQYABFASA-N 2 1 294.361 2.275 10 0 CEAEMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896641 180057458 /nfs/dbraw/zinc/05/74/58/180057458.db2.gz WJHLOEPSVUSKKG-INIZCTEOSA-N 2 1 292.398 2.451 10 0 CEAEMP CCCC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]CC1 ZINC000090908674 180062262 /nfs/dbraw/zinc/06/22/62/180062262.db2.gz SZCBUDAZXONVLH-OKILXGFUSA-N 2 1 252.402 2.020 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+]CCC[NH+]1CCCC1 ZINC000090959135 180075594 /nfs/dbraw/zinc/07/55/94/180075594.db2.gz UHLRLPPFRSYPPB-UHFFFAOYSA-N 2 1 281.425 2.282 10 0 CEAEMP CCC[C@H](C[NH3+])[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669376912 539758103 /nfs/dbraw/zinc/75/81/03/539758103.db2.gz BACVTAJZFUQJBN-IAGOWNOFSA-N 2 1 276.424 2.389 10 0 CEAEMP C[C@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC000091313971 180132936 /nfs/dbraw/zinc/13/29/36/180132936.db2.gz LGGYNANZIZRQFU-NWDGAFQWSA-N 2 1 266.410 2.046 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091433231 180153849 /nfs/dbraw/zinc/15/38/49/180153849.db2.gz PKNVGUWFZIPWAE-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091433231 180153851 /nfs/dbraw/zinc/15/38/51/180153851.db2.gz PKNVGUWFZIPWAE-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP C[N@@H+](CC1CC(O)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000091451681 180158604 /nfs/dbraw/zinc/15/86/04/180158604.db2.gz RTZKLCHSGJRDII-FSXGRMEGSA-N 2 1 282.472 2.479 10 0 CEAEMP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091498833 180173765 /nfs/dbraw/zinc/17/37/65/180173765.db2.gz CGNFCXIMUYEBBZ-GYTBAZASSA-N 2 1 282.472 2.494 10 0 CEAEMP CC[C@](C)(C[NH2+]C(C)(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091499469 180173790 /nfs/dbraw/zinc/17/37/90/180173790.db2.gz ZTDXMDKFESRLRU-ZBCRRDGASA-N 2 1 270.461 2.494 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(C)c1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607223 180203838 /nfs/dbraw/zinc/20/38/38/180203838.db2.gz AHMMOUVSAHXLAD-HOTGVXAUSA-N 2 1 278.444 2.205 10 0 CEAEMP CC[NH2+][C@H](Cc1ncnn1CC)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607582 180204017 /nfs/dbraw/zinc/20/40/17/180204017.db2.gz ITJHFITWVHKMQG-GDBMZVCRSA-N 2 1 293.459 2.083 10 0 CEAEMP CC[C@@](C)([C@H](Cc1cc[nH+]c(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609643 180205865 /nfs/dbraw/zinc/20/58/65/180205865.db2.gz HHGHCIRONNKFGQ-RDJZCZTQSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(CC)nn1CC)C(C)(C)[NH+](C)C ZINC000091529100 180180861 /nfs/dbraw/zinc/18/08/61/180180861.db2.gz DYIAFKPLGJGDFR-HNNXBMFYSA-N 2 1 280.460 2.326 10 0 CEAEMP CC[NH+](CC)CC[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000091716142 180232134 /nfs/dbraw/zinc/23/21/34/180232134.db2.gz VQDRPNHSRNMXDS-AWEZNQCLSA-N 2 1 278.396 2.450 10 0 CEAEMP Cc1cc(C)c(C[C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720571 180236108 /nfs/dbraw/zinc/23/61/08/180236108.db2.gz CUOIDXFBKBRMEI-BPQIPLTHSA-N 2 1 288.435 2.345 10 0 CEAEMP CCC[NH2+][C@H]([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000091722161 180240808 /nfs/dbraw/zinc/24/08/08/180240808.db2.gz WGFXBSIQLGWPNR-HZSPNIEDSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+][C@H]([C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000091722161 180240812 /nfs/dbraw/zinc/24/08/12/180240812.db2.gz WGFXBSIQLGWPNR-HZSPNIEDSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)C1CCN(CC)CC1 ZINC000091851709 180273015 /nfs/dbraw/zinc/27/30/15/180273015.db2.gz GUUMESMTFSXIDH-UHFFFAOYSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[N@H+](C1CCC([NH3+])CC1)C1CC[NH+](CC)CC1 ZINC000091851709 180273016 /nfs/dbraw/zinc/27/30/16/180273016.db2.gz GUUMESMTFSXIDH-UHFFFAOYSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)C1CC[NH+](CC)CC1 ZINC000091851709 180273018 /nfs/dbraw/zinc/27/30/18/180273018.db2.gz GUUMESMTFSXIDH-UHFFFAOYSA-N 3 1 267.461 2.453 10 0 CEAEMP CCN(CC)C(=O)CCC[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091850714 180271854 /nfs/dbraw/zinc/27/18/54/180271854.db2.gz YWBZHWVMSDZWCI-UHFFFAOYSA-N 2 1 283.460 2.227 10 0 CEAEMP CC[N@H+](Cc1noc(C(C)(C)C)n1)C1CCC([NH3+])CC1 ZINC000091850765 180272167 /nfs/dbraw/zinc/27/21/67/180272167.db2.gz AWMJCUMWUXLMHH-UHFFFAOYSA-N 2 1 280.416 2.459 10 0 CEAEMP CC[N@@H+](Cc1noc(C(C)(C)C)n1)C1CCC([NH3+])CC1 ZINC000091850765 180272170 /nfs/dbraw/zinc/27/21/70/180272170.db2.gz AWMJCUMWUXLMHH-UHFFFAOYSA-N 2 1 280.416 2.459 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000091871126 180276946 /nfs/dbraw/zinc/27/69/46/180276946.db2.gz QGDLFWHZXYKLDP-UHFFFAOYSA-N 2 1 278.396 2.363 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000091870595 180277179 /nfs/dbraw/zinc/27/71/79/180277179.db2.gz UTXXPMIZAXAWBX-UHFFFAOYSA-N 2 1 289.423 2.396 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)noc2C)CC1 ZINC000091871498 180277200 /nfs/dbraw/zinc/27/72/00/180277200.db2.gz UCNDZBNCGMOHBX-UHFFFAOYSA-N 2 1 251.374 2.254 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000091873143 180278148 /nfs/dbraw/zinc/27/81/48/180278148.db2.gz CZZJYXFKBPDSLE-UHFFFAOYSA-N 2 1 294.395 2.337 10 0 CEAEMP CC[N@H+]1CCC[C@](O)(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000091922556 180286837 /nfs/dbraw/zinc/28/68/37/180286837.db2.gz HKNJEWAUBWCUGR-UYSNPLJNSA-N 2 1 268.445 2.379 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2cc(C)ccc2[C@@H](C)[NH3+])C1 ZINC000092051360 180312783 /nfs/dbraw/zinc/31/27/83/180312783.db2.gz ZECCQYXKKPVWRR-ZIAGYGMSSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2cc(C)ccc2[C@@H](C)[NH3+])C1 ZINC000092051360 180312784 /nfs/dbraw/zinc/31/27/84/180312784.db2.gz ZECCQYXKKPVWRR-ZIAGYGMSSA-N 2 1 278.396 2.114 10 0 CEAEMP C[C@@H]1C[NH+](CCc2[nH]c3ccc(N)cc3[nH+]2)C[C@H]1C ZINC000092080486 180318148 /nfs/dbraw/zinc/31/81/48/180318148.db2.gz NHDNCVWVBFRGDJ-GHMZBOCLSA-N 2 1 258.369 2.275 10 0 CEAEMP C[C@H]1C[N@@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000092082184 180319386 /nfs/dbraw/zinc/31/93/86/180319386.db2.gz YGEIYPBZKIZGHA-OKILXGFUSA-N 2 1 289.423 2.452 10 0 CEAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092262339 180355017 /nfs/dbraw/zinc/35/50/17/180355017.db2.gz NQXDDBRPFHTRFJ-JQWIXIFHSA-N 2 1 263.410 2.350 10 0 CEAEMP CC(C)[N@H+](CC[NH3+])C[C@@H]1Cc2ccccc2S1 ZINC000092262957 180355129 /nfs/dbraw/zinc/35/51/29/180355129.db2.gz CUIUTMXWVRNSFO-ZDUSSCGKSA-N 2 1 250.411 2.373 10 0 CEAEMP CC(C)[N@@H+](CC[NH3+])C[C@@H]1Cc2ccccc2S1 ZINC000092262957 180355131 /nfs/dbraw/zinc/35/51/31/180355131.db2.gz CUIUTMXWVRNSFO-ZDUSSCGKSA-N 2 1 250.411 2.373 10 0 CEAEMP C[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3S2)CCC[NH2+]1 ZINC000092273073 180356367 /nfs/dbraw/zinc/35/63/67/180356367.db2.gz MJNMQTLIMPFZTE-JSGCOSHPSA-N 2 1 262.422 2.387 10 0 CEAEMP C[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3S2)CCC[NH2+]1 ZINC000092273073 180356369 /nfs/dbraw/zinc/35/63/69/180356369.db2.gz MJNMQTLIMPFZTE-JSGCOSHPSA-N 2 1 262.422 2.387 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302669 180359459 /nfs/dbraw/zinc/35/94/59/180359459.db2.gz WSHKLUWICLXPPS-ZIAGYGMSSA-N 2 1 260.381 2.094 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092326247 180362769 /nfs/dbraw/zinc/36/27/69/180362769.db2.gz PDMAKUCETIJENB-CQSZACIVSA-N 2 1 264.417 2.001 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092326247 180362771 /nfs/dbraw/zinc/36/27/71/180362771.db2.gz PDMAKUCETIJENB-CQSZACIVSA-N 2 1 264.417 2.001 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000092330927 180364473 /nfs/dbraw/zinc/36/44/73/180364473.db2.gz LUTRBXXWBABSCF-AWEZNQCLSA-N 2 1 264.417 2.001 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000092330927 180364475 /nfs/dbraw/zinc/36/44/75/180364475.db2.gz LUTRBXXWBABSCF-AWEZNQCLSA-N 2 1 264.417 2.001 10 0 CEAEMP C[C@@H](C[N@@H+](C)Cc1ccnc2ccccc12)C(N)=[NH2+] ZINC000092348142 180366893 /nfs/dbraw/zinc/36/68/93/180366893.db2.gz RRMFQPBPOOICFS-NSHDSACASA-N 2 1 256.353 2.239 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCOC1 ZINC000109550420 186261573 /nfs/dbraw/zinc/26/15/73/186261573.db2.gz GOWFPMTXKRWNAZ-JALIKCBVSA-N 2 1 252.402 2.160 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@@H+](CC2(CC)CC[NH2+]CC2)C1 ZINC000110370755 186294042 /nfs/dbraw/zinc/29/40/42/186294042.db2.gz IQBKUDBXRCFHQY-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH+](CC)[C@@H]1CCN(CC2(CC)CC[NH2+]CC2)C1 ZINC000110370755 186294044 /nfs/dbraw/zinc/29/40/44/186294044.db2.gz IQBKUDBXRCFHQY-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@H+](CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000110370820 186294750 /nfs/dbraw/zinc/29/47/50/186294750.db2.gz QBRHJAJNZLJMRP-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@@H+](CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000110370820 186294751 /nfs/dbraw/zinc/29/47/51/186294751.db2.gz QBRHJAJNZLJMRP-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@@H+](CC1CCCC1)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000110841817 186328615 /nfs/dbraw/zinc/32/86/15/186328615.db2.gz YFQFVGVCDILDFX-INIZCTEOSA-N 2 1 266.429 2.267 10 0 CEAEMP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110704827 186314177 /nfs/dbraw/zinc/31/41/77/186314177.db2.gz FSUOXBWSMGEOLH-GXTWGEPZSA-N 2 1 281.469 2.471 10 0 CEAEMP COc1ccccc1[C@H]([C@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705115 186314228 /nfs/dbraw/zinc/31/42/28/186314228.db2.gz XMHHMZWUWBYCGN-BBRMVZONSA-N 2 1 291.439 2.110 10 0 CEAEMP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704648 186315045 /nfs/dbraw/zinc/31/50/45/186315045.db2.gz GQMPDXLOUSKUNO-GOEBONIOSA-N 2 1 275.440 2.409 10 0 CEAEMP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711656 186315481 /nfs/dbraw/zinc/31/54/81/186315481.db2.gz ICOKAIXEGUKUTK-OAHLLOKOSA-N 2 1 279.403 2.160 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716404 186315608 /nfs/dbraw/zinc/31/56/08/186315608.db2.gz ITWLNTWQYGAOBM-GDBMZVCRSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC[N@H+]1C ZINC000110710111 186316301 /nfs/dbraw/zinc/31/63/01/186316301.db2.gz RXAGXXIJUPPLDH-HOTGVXAUSA-N 2 1 291.439 2.029 10 0 CEAEMP CC[NH2+]Cc1ccccc1CN1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110754505 186320331 /nfs/dbraw/zinc/32/03/31/186320331.db2.gz IXESQUUNHSCCBH-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1CCN(C)[C@@H](CC)C1 ZINC000110754505 186320333 /nfs/dbraw/zinc/32/03/33/186320333.db2.gz IXESQUUNHSCCBH-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCN(C)[C@@H](CC)C1 ZINC000110754505 186320335 /nfs/dbraw/zinc/32/03/35/186320335.db2.gz IXESQUUNHSCCBH-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc(N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110758778 186321925 /nfs/dbraw/zinc/32/19/25/186321925.db2.gz FKBQCSLUOXCMFN-UHFFFAOYSA-N 2 1 296.484 2.419 10 0 CEAEMP CCCCC[NH2+]C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757945 186322065 /nfs/dbraw/zinc/32/20/65/186322065.db2.gz FZJBOIYNFNXNPH-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCN1CC[N@H+]([C@@H](C)CCC[NH2+]C(C)C)C[C@@H]1C ZINC000110752474 186322100 /nfs/dbraw/zinc/32/21/00/186322100.db2.gz KSJPBQQWOAGENX-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC000110757382 186322226 /nfs/dbraw/zinc/32/22/26/186322226.db2.gz AEXKLMADURFCGZ-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)C[C@@H]1CCCOC1 ZINC000111154005 186359965 /nfs/dbraw/zinc/35/99/65/186359965.db2.gz CNQFGOWHLZOGAI-LBPRGKRZSA-N 2 1 288.395 2.046 10 0 CEAEMP C[N@@H+](CCc1[nH]c2ccc(N)cc2[nH+]1)C[C@@H]1CCCOC1 ZINC000111154005 186359967 /nfs/dbraw/zinc/35/99/67/186359967.db2.gz CNQFGOWHLZOGAI-LBPRGKRZSA-N 2 1 288.395 2.046 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174909 186364843 /nfs/dbraw/zinc/36/48/43/186364843.db2.gz HSOYGDAILDOYLD-ZDUSSCGKSA-N 2 1 266.385 2.248 10 0 CEAEMP CC[C@@]1(C[N@@H+](C)CC2CCOCC2)CCC[NH2+]C1 ZINC000111179320 186366846 /nfs/dbraw/zinc/36/68/46/186366846.db2.gz QXSORKVTOFXBFF-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccc(OC)cc2)CCCOC1 ZINC000111327236 186398801 /nfs/dbraw/zinc/39/88/01/186398801.db2.gz YAVHREAXCCJVKT-QGZVFWFLSA-N 2 1 292.423 2.143 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccc(OC)cc2)CCCOC1 ZINC000111327236 186398803 /nfs/dbraw/zinc/39/88/03/186398803.db2.gz YAVHREAXCCJVKT-QGZVFWFLSA-N 2 1 292.423 2.143 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)C[C@@H](C)CC)CCCOC1 ZINC000111324955 186399144 /nfs/dbraw/zinc/39/91/44/186399144.db2.gz DOEFDOWWUIXJGT-LSDHHAIUSA-N 2 1 256.434 2.371 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)CCC(C)C)CCCOC1 ZINC000111328317 186399546 /nfs/dbraw/zinc/39/95/46/186399546.db2.gz IKHRBRKPNHPSLN-OAHLLOKOSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)C[C@]1(C[NH2+]C)CCCOC1 ZINC000111328262 186399668 /nfs/dbraw/zinc/39/96/68/186399668.db2.gz XTHRVOGHNPLTBL-MRXNPFEDSA-N 2 1 286.460 2.140 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](CC2CC2)C(C)C)CCCOC1 ZINC000111328290 186399819 /nfs/dbraw/zinc/39/98/19/186399819.db2.gz XQBTWWKZVYMABM-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2c(O)cccc2C1 ZINC000027998583 361665069 /nfs/dbraw/zinc/66/50/69/361665069.db2.gz STZVDNIQZPXBQC-CQSZACIVSA-N 2 1 262.397 2.310 10 0 CEAEMP CC[N@H+]1CCC[C@@H](Nc2cc(N3CCCCC3)ncn2)C1 ZINC000112075891 364772452 /nfs/dbraw/zinc/77/24/52/364772452.db2.gz WAXKPEZZMGNLPC-CQSZACIVSA-N 2 1 289.427 2.363 10 0 CEAEMP CC[C@H](C)C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000120487167 365431211 /nfs/dbraw/zinc/43/12/11/365431211.db2.gz ZCNIJEMMIIVHRW-HNNXBMFYSA-N 2 1 278.444 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245428803 370818724 /nfs/dbraw/zinc/81/87/24/370818724.db2.gz JMLLLDRTXNURDW-XUWVNRHRSA-N 2 1 295.471 2.190 10 0 CEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245428803 370818730 /nfs/dbraw/zinc/81/87/30/370818730.db2.gz JMLLLDRTXNURDW-XUWVNRHRSA-N 2 1 295.471 2.190 10 0 CEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245428803 370818737 /nfs/dbraw/zinc/81/87/37/370818737.db2.gz JMLLLDRTXNURDW-XUWVNRHRSA-N 2 1 295.471 2.190 10 0 CEAEMP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000172646821 367792612 /nfs/dbraw/zinc/79/26/12/367792612.db2.gz CHENLEJJGDJIBT-VQHPVUNQSA-N 2 1 298.471 2.375 10 0 CEAEMP C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000231454245 370479612 /nfs/dbraw/zinc/47/96/12/370479612.db2.gz OVWDBGWOIIREDG-INIZCTEOSA-N 2 1 284.407 2.446 10 0 CEAEMP C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000231454245 370479615 /nfs/dbraw/zinc/47/96/15/370479615.db2.gz OVWDBGWOIIREDG-INIZCTEOSA-N 2 1 284.407 2.446 10 0 CEAEMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231460741 370480960 /nfs/dbraw/zinc/48/09/60/370480960.db2.gz KPPSZDOOOFDIBI-INIZCTEOSA-N 2 1 284.407 2.446 10 0 CEAEMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccccc2)CC[N@H+]1C ZINC000247970012 371151628 /nfs/dbraw/zinc/15/16/28/371151628.db2.gz IXNRRRANGGKUPG-HYVNUMGLSA-N 2 1 275.440 2.362 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@@H]12 ZINC000261556092 371645306 /nfs/dbraw/zinc/64/53/06/371645306.db2.gz BWFDJPDDIKCOQM-MRCXROJRSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]12 ZINC000261556092 371645313 /nfs/dbraw/zinc/64/53/13/371645313.db2.gz BWFDJPDDIKCOQM-MRCXROJRSA-N 2 1 252.308 2.134 10 0 CEAEMP CCc1nc(NC[C@@H]([NH3+])c2ccccc2)cc(C)[nH+]1 ZINC000261573466 371655438 /nfs/dbraw/zinc/65/54/38/371655438.db2.gz AQIBWGTVAJVHRW-CYBMUJFWSA-N 2 1 256.353 2.459 10 0 CEAEMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261960127 371786468 /nfs/dbraw/zinc/78/64/68/371786468.db2.gz PMUHKJYYFPTJSA-MCIONIFRSA-N 2 1 295.452 2.007 10 0 CEAEMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261960129 371786653 /nfs/dbraw/zinc/78/66/53/371786653.db2.gz PMUHKJYYFPTJSA-MJBXVCDLSA-N 2 1 295.452 2.007 10 0 CEAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C ZINC000262003783 371797247 /nfs/dbraw/zinc/79/72/47/371797247.db2.gz UKEYCQTYCHSDNV-KKUMJFAQSA-N 2 1 260.381 2.173 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000344320892 217147684 /nfs/dbraw/zinc/14/76/84/217147684.db2.gz IVNDLKBXSRFHHI-LBPRGKRZSA-N 2 1 276.428 2.432 10 0 CEAEMP CCC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000334256159 206265277 /nfs/dbraw/zinc/26/52/77/206265277.db2.gz MCDDRFLLSQQCPT-MRXNPFEDSA-N 2 1 266.429 2.269 10 0 CEAEMP Cc1nc(C)c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000328628050 376864089 /nfs/dbraw/zinc/86/40/89/376864089.db2.gz GWBJFKITYKQGBA-GFCCVEGCSA-N 2 1 276.409 2.309 10 0 CEAEMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000520793842 379504265 /nfs/dbraw/zinc/50/42/65/379504265.db2.gz LMRGSNMODHOYFS-NVXWUHKLSA-N 2 1 275.440 2.096 10 0 CEAEMP C[C@@H](C[NH2+]C1CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094467490 184806083 /nfs/dbraw/zinc/80/60/83/184806083.db2.gz OUAVJBZWWWGRRK-GOEBONIOSA-N 2 1 265.445 2.077 10 0 CEAEMP [NH3+]C1(CC[NH+]2CCN(c3ccccc3F)CC2)CCC1 ZINC000094295838 135086111 /nfs/dbraw/zinc/08/61/11/135086111.db2.gz JMLCPTOJXXKYHH-UHFFFAOYSA-N 2 1 277.387 2.219 10 0 CEAEMP C[NH2+]Cc1ccccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439994 135088019 /nfs/dbraw/zinc/08/80/19/135088019.db2.gz WRGFYQJYHUKNFA-OAHLLOKOSA-N 2 1 259.397 2.081 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccccc1CC[NH3+] ZINC000094444593 135088618 /nfs/dbraw/zinc/08/86/18/135088618.db2.gz TYBDXCPPGPJQLH-GDBMZVCRSA-N 2 1 273.424 2.251 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000312117226 394539337 /nfs/dbraw/zinc/53/93/37/394539337.db2.gz RCEOXQCWTVLBKJ-CJNGLKHVSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000312117226 394539342 /nfs/dbraw/zinc/53/93/42/394539342.db2.gz RCEOXQCWTVLBKJ-CJNGLKHVSA-N 2 1 262.397 2.101 10 0 CEAEMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449726 395253081 /nfs/dbraw/zinc/25/30/81/395253081.db2.gz OKLAYQCNADKQFT-LSDHHAIUSA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449726 395253085 /nfs/dbraw/zinc/25/30/85/395253085.db2.gz OKLAYQCNADKQFT-LSDHHAIUSA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449726 395253087 /nfs/dbraw/zinc/25/30/87/395253087.db2.gz OKLAYQCNADKQFT-LSDHHAIUSA-N 3 1 267.461 2.229 10 0 CEAEMP C[N@@H+](CCCNC(=O)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000037901317 400122249 /nfs/dbraw/zinc/12/22/49/400122249.db2.gz UDCWWAPLTSZEBD-UHFFFAOYSA-N 2 1 295.471 2.275 10 0 CEAEMP C[NH2+]CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000159895859 162318752 /nfs/dbraw/zinc/31/87/52/162318752.db2.gz OXQLZTLFYOKOBU-UHFFFAOYSA-N 2 1 284.201 2.280 10 0 CEAEMP CCc1nccn1[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178981002 165267664 /nfs/dbraw/zinc/26/76/64/165267664.db2.gz HLDSGQRSRUBJKL-HNNXBMFYSA-N 3 1 276.428 2.082 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152210 171359551 /nfs/dbraw/zinc/35/95/51/171359551.db2.gz TXESFCQRZQTXGH-ZDUSSCGKSA-N 2 1 275.396 2.348 10 0 CEAEMP CC1CC[NH+](CCc2[nH]c3ccc(N)cc3[nH+]2)CC1 ZINC000035659102 172335730 /nfs/dbraw/zinc/33/57/30/172335730.db2.gz UGORXYDDMLMKOC-UHFFFAOYSA-N 2 1 258.369 2.420 10 0 CEAEMP C[N@@H+](Cc1cc(C[NH3+])ccc1F)[C@@H]1CCSC1 ZINC000035725205 172379749 /nfs/dbraw/zinc/37/97/49/172379749.db2.gz PYJGQSNYEBNNRC-GFCCVEGCSA-N 2 1 254.374 2.222 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)NCC(C)(C)[NH+](C)C)C1 ZINC000037220645 173039214 /nfs/dbraw/zinc/03/92/14/173039214.db2.gz KHXZLXPDXNZXOP-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(C)(C)N(C)C)C1 ZINC000037220645 173039216 /nfs/dbraw/zinc/03/92/16/173039216.db2.gz KHXZLXPDXNZXOP-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(C)(C)N(C)C)C1 ZINC000037220645 173039218 /nfs/dbraw/zinc/03/92/18/173039218.db2.gz KHXZLXPDXNZXOP-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000040622524 174355683 /nfs/dbraw/zinc/35/56/83/174355683.db2.gz GUKQPVVDNLWYSL-DZGCQCFKSA-N 2 1 276.428 2.117 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000040622524 174355685 /nfs/dbraw/zinc/35/56/85/174355685.db2.gz GUKQPVVDNLWYSL-DZGCQCFKSA-N 2 1 276.428 2.117 10 0 CEAEMP C[NH+]1CCC([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000040625181 174356541 /nfs/dbraw/zinc/35/65/41/174356541.db2.gz PRGZOBGXDUXEGZ-UHFFFAOYSA-N 2 1 250.411 2.421 10 0 CEAEMP COc1ccc(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750270 174395342 /nfs/dbraw/zinc/39/53/42/174395342.db2.gz LSPJIBKEAAYCHE-GOOCMWNKSA-N 2 1 260.381 2.458 10 0 CEAEMP CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818310 175113132 /nfs/dbraw/zinc/11/31/32/175113132.db2.gz ZQCAMCNAHSJPHR-RDJZCZTQSA-N 2 1 275.440 2.363 10 0 CEAEMP CCCC[N@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043968094 175128923 /nfs/dbraw/zinc/12/89/23/175128923.db2.gz KTYVTJVHUXWVLD-LSDHHAIUSA-N 2 1 282.428 2.135 10 0 CEAEMP CCCC[N@@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043968094 175128925 /nfs/dbraw/zinc/12/89/25/175128925.db2.gz KTYVTJVHUXWVLD-LSDHHAIUSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[N@@H+](CCOC)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000043968586 175129802 /nfs/dbraw/zinc/12/98/02/175129802.db2.gz KCPDRMDUEDGXCG-ZDUSSCGKSA-N 2 1 280.412 2.444 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](Cn2c(N)[nH+]c3cc(F)ccc32)C1 ZINC000045136018 175313634 /nfs/dbraw/zinc/31/36/34/175313634.db2.gz CMWSQCZMOCZXMD-LLVKDONJSA-N 2 1 276.359 2.488 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000045172571 175321533 /nfs/dbraw/zinc/32/15/33/175321533.db2.gz MAEXBJMECXHDKF-GHMZBOCLSA-N 2 1 252.406 2.028 10 0 CEAEMP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045370670 175364405 /nfs/dbraw/zinc/36/44/05/175364405.db2.gz ZWKSUIRMVHKXDI-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045370670 175364407 /nfs/dbraw/zinc/36/44/07/175364407.db2.gz ZWKSUIRMVHKXDI-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1CCCC[C@@H]1C ZINC000045376064 175366431 /nfs/dbraw/zinc/36/64/31/175366431.db2.gz YENJWOFPLADLKV-ZFWWWQNUSA-N 2 1 270.417 2.312 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+]1CCCC[C@@H]1C ZINC000045376064 175366433 /nfs/dbraw/zinc/36/64/33/175366433.db2.gz YENJWOFPLADLKV-ZFWWWQNUSA-N 2 1 270.417 2.312 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381426 175369750 /nfs/dbraw/zinc/36/97/50/175369750.db2.gz PBHVPWPYCGPXEF-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381426 175369751 /nfs/dbraw/zinc/36/97/51/175369751.db2.gz PBHVPWPYCGPXEF-ZFWWWQNUSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCC)C(=O)OC ZINC000045382192 175370004 /nfs/dbraw/zinc/37/00/04/175370004.db2.gz CFBIFLIFPUSBBI-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCC)C(=O)OC ZINC000045382192 175370005 /nfs/dbraw/zinc/37/00/05/175370005.db2.gz CFBIFLIFPUSBBI-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383658 175371276 /nfs/dbraw/zinc/37/12/76/175371276.db2.gz CEAPJWCQJTYPRD-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383658 175371277 /nfs/dbraw/zinc/37/12/77/175371277.db2.gz CEAPJWCQJTYPRD-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386367 175372617 /nfs/dbraw/zinc/37/26/17/175372617.db2.gz IJJYFKWIMPIOMR-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OC ZINC000045386367 175372618 /nfs/dbraw/zinc/37/26/18/175372618.db2.gz IJJYFKWIMPIOMR-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)C[C@@H](C)CC ZINC000045388471 175374023 /nfs/dbraw/zinc/37/40/23/175374023.db2.gz LSQRKODXOGDZFO-ZFWWWQNUSA-N 2 1 272.433 2.415 10 0 CEAEMP CC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390596 175374319 /nfs/dbraw/zinc/37/43/19/175374319.db2.gz IOISODYAJSACEJ-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)OC)C1CCCC1 ZINC000045390596 175374320 /nfs/dbraw/zinc/37/43/20/175374320.db2.gz IOISODYAJSACEJ-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000070514170 175962939 /nfs/dbraw/zinc/96/29/39/175962939.db2.gz MJWQLCZTBZRYQL-JKSUJKDBSA-N 2 1 286.460 2.018 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCSc2ccccc21 ZINC000071148849 176044358 /nfs/dbraw/zinc/04/43/58/176044358.db2.gz MQQCAYDWXUNTFF-OAHLLOKOSA-N 2 1 291.464 2.061 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(CN)[N@@H+](CCOC)[C@@H](C)COC ZINC000071161955 176046318 /nfs/dbraw/zinc/04/63/18/176046318.db2.gz HYZQBFNCZDTOBG-ARFHVFGLSA-N 2 1 286.460 2.267 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000071161955 176046319 /nfs/dbraw/zinc/04/63/19/176046319.db2.gz HYZQBFNCZDTOBG-ARFHVFGLSA-N 2 1 286.460 2.267 10 0 CEAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071187911 176061719 /nfs/dbraw/zinc/06/17/19/176061719.db2.gz JQYAHXUVHKKJRQ-INMHGKMJSA-N 2 1 275.440 2.267 10 0 CEAEMP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071187849 176062090 /nfs/dbraw/zinc/06/20/90/176062090.db2.gz YNCLQNRWGQGTSC-INMHGKMJSA-N 2 1 275.440 2.267 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000071188453 176063066 /nfs/dbraw/zinc/06/30/66/176063066.db2.gz ILURUCSGTVNLHA-ABAIWWIYSA-N 2 1 299.821 2.362 10 0 CEAEMP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188890 176063340 /nfs/dbraw/zinc/06/33/40/176063340.db2.gz QEEHYHXHMLUPEX-FHLIZLRMSA-N 2 1 287.451 2.145 10 0 CEAEMP Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190634 176067525 /nfs/dbraw/zinc/06/75/25/176067525.db2.gz JCXQXWZLTWSLCL-INMHGKMJSA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190634 176067526 /nfs/dbraw/zinc/06/75/26/176067526.db2.gz JCXQXWZLTWSLCL-INMHGKMJSA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190634 176067527 /nfs/dbraw/zinc/06/75/27/176067527.db2.gz JCXQXWZLTWSLCL-INMHGKMJSA-N 2 1 276.424 2.300 10 0 CEAEMP CCCNc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cn1 ZINC000071191126 176068884 /nfs/dbraw/zinc/06/88/84/176068884.db2.gz PPZVRMHRNHMBOG-OAHLLOKOSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cn1 ZINC000071191126 176068885 /nfs/dbraw/zinc/06/88/85/176068885.db2.gz PPZVRMHRNHMBOG-OAHLLOKOSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000071191126 176068886 /nfs/dbraw/zinc/06/88/86/176068886.db2.gz PPZVRMHRNHMBOG-OAHLLOKOSA-N 2 1 276.428 2.287 10 0 CEAEMP CCCNc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000071191126 176068888 /nfs/dbraw/zinc/06/88/88/176068888.db2.gz PPZVRMHRNHMBOG-OAHLLOKOSA-N 2 1 276.428 2.287 10 0 CEAEMP CC[NH2+]CC1(CN(C)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191452 176069753 /nfs/dbraw/zinc/06/97/53/176069753.db2.gz VAIXUOILZOIQON-MRXNPFEDSA-N 2 1 281.488 2.430 10 0 CEAEMP CC(C)C[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191940 176072335 /nfs/dbraw/zinc/07/23/35/176072335.db2.gz JMMDIVPPJSNUHI-OAHLLOKOSA-N 2 1 293.455 2.409 10 0 CEAEMP CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192326 176073490 /nfs/dbraw/zinc/07/34/90/176073490.db2.gz ZRLFHCYMNOENSY-RBSFLKMASA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCCN1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198134 176077029 /nfs/dbraw/zinc/07/70/29/176077029.db2.gz HPYVOWBTGSAYPM-HOCLYGCPSA-N 2 1 265.445 2.077 10 0 CEAEMP CC(C)[NH2+][C@@H]1CCN(CCCC[N@@H+](C)C(C)C)C1 ZINC000071200753 176077531 /nfs/dbraw/zinc/07/75/31/176077531.db2.gz YYVJFUULBRVWHN-OAHLLOKOSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+]1CCCN(C)CC1 ZINC000071287544 176109627 /nfs/dbraw/zinc/10/96/27/176109627.db2.gz NXPGENJOGZPYKV-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCOC(=O)CCCCC[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000071293562 176111722 /nfs/dbraw/zinc/11/17/22/176111722.db2.gz LPSDOZZVHBQPKM-CQSZACIVSA-N 2 1 270.417 2.041 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C3CC3)S2)C1 ZINC000071307851 176116474 /nfs/dbraw/zinc/11/64/74/176116474.db2.gz ZFPPNBQBNYAZEM-WCQYABFASA-N 2 1 267.442 2.188 10 0 CEAEMP CCCn1c(C[NH3+])nnc1SCC[C@H]1CCCC[N@H+]1C ZINC000071375342 176140452 /nfs/dbraw/zinc/14/04/52/176140452.db2.gz PLAUIMWNJXXCHS-GFCCVEGCSA-N 2 1 297.472 2.113 10 0 CEAEMP C[NH2+]Cc1cc(C)ccc1OCCn1cc[nH+]c1C ZINC000071403474 176154997 /nfs/dbraw/zinc/15/49/97/176154997.db2.gz NXFKVFRGVWYTMJ-UHFFFAOYSA-N 2 1 259.353 2.298 10 0 CEAEMP CCOc1ccccc1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000071589120 176217379 /nfs/dbraw/zinc/21/73/79/176217379.db2.gz UDLQMMDIQNUHQT-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCOc1ccccc1CCC[N@H+]1CCC[NH2+]CC1 ZINC000071589120 176217380 /nfs/dbraw/zinc/21/73/80/176217380.db2.gz UDLQMMDIQNUHQT-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000390529755 262207131 /nfs/dbraw/zinc/20/71/31/262207131.db2.gz LGTCYUSRVDKRHX-ROUUACIJSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(CN2CCC[C@H]2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000390529755 262207132 /nfs/dbraw/zinc/20/71/32/262207132.db2.gz LGTCYUSRVDKRHX-ROUUACIJSA-N 2 1 287.451 2.383 10 0 CEAEMP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000398355817 280693274 /nfs/dbraw/zinc/69/32/74/280693274.db2.gz LNESCDVXNNJCOR-NSHDSACASA-N 2 1 283.213 2.457 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000268889956 274355159 /nfs/dbraw/zinc/35/51/59/274355159.db2.gz ABEFMKGWYKJISY-PVAVHDDUSA-N 2 1 274.408 2.276 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000268889956 274355160 /nfs/dbraw/zinc/35/51/60/274355160.db2.gz ABEFMKGWYKJISY-PVAVHDDUSA-N 2 1 274.408 2.276 10 0 CEAEMP CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000245663748 276268981 /nfs/dbraw/zinc/26/89/81/276268981.db2.gz IGPHWIWWAMIUNK-CABCVRRESA-N 2 1 283.460 2.097 10 0 CEAEMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCS1 ZINC000261998568 280158341 /nfs/dbraw/zinc/15/83/41/280158341.db2.gz UIHRVWWVRBFZCH-KBUPBQIOSA-N 2 1 284.469 2.019 10 0 CEAEMP CCC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245518781 280246939 /nfs/dbraw/zinc/24/69/39/280246939.db2.gz RZZXATWOLXFRFF-CABCVRRESA-N 2 1 297.487 2.343 10 0 CEAEMP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400707353 295182570 /nfs/dbraw/zinc/18/25/70/295182570.db2.gz LHYITHGBGGIEJL-FRRDWIJNSA-N 2 1 278.396 2.352 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000045700667 519617529 /nfs/dbraw/zinc/61/75/29/519617529.db2.gz ORAXJJHGWZGHRO-INIZCTEOSA-N 2 1 297.487 2.488 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711761 519720268 /nfs/dbraw/zinc/72/02/68/519720268.db2.gz OICJLWCRSTWHCH-AWEZNQCLSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCC[N@@H+](C)CC1 ZINC000052424055 519815853 /nfs/dbraw/zinc/81/58/53/519815853.db2.gz MIGRWSNJVLZKLY-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CCCOC)CCOC ZINC000052543279 519913283 /nfs/dbraw/zinc/91/32/83/519913283.db2.gz PAVBRNBSCVKUNX-HNNXBMFYSA-N 2 1 274.449 2.140 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000052382314 519953554 /nfs/dbraw/zinc/95/35/54/519953554.db2.gz XKGDXBOWWKQZDO-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000052382314 519953566 /nfs/dbraw/zinc/95/35/66/519953566.db2.gz XKGDXBOWWKQZDO-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@H](C)COC ZINC000052511442 519958027 /nfs/dbraw/zinc/95/80/27/519958027.db2.gz PDALUTCOJKULGD-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630334 520042578 /nfs/dbraw/zinc/04/25/78/520042578.db2.gz LORLQKBXZOZNHX-WWGRRREGSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630334 520042585 /nfs/dbraw/zinc/04/25/85/520042585.db2.gz LORLQKBXZOZNHX-WWGRRREGSA-N 2 1 285.476 2.375 10 0 CEAEMP CCC[NH2+][C@H](C)c1cnc(N2CC[NH+](CC)CC2)s1 ZINC000054899392 520066937 /nfs/dbraw/zinc/06/69/37/520066937.db2.gz OOHJVEBVXZKCOD-GFCCVEGCSA-N 2 1 282.457 2.346 10 0 CEAEMP CC[NH2+][C@H](C[N@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069074548 520196102 /nfs/dbraw/zinc/19/61/02/520196102.db2.gz PWBLPGOCECIZBB-SWLSCSKDSA-N 2 1 254.418 2.121 10 0 CEAEMP CC[NH2+][C@H](C[N@@H+](CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069074548 520196115 /nfs/dbraw/zinc/19/61/15/520196115.db2.gz PWBLPGOCECIZBB-SWLSCSKDSA-N 2 1 254.418 2.121 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653579 520218150 /nfs/dbraw/zinc/21/81/50/520218150.db2.gz VBNIXYSUMGVITD-VQHPVUNQSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653579 520218159 /nfs/dbraw/zinc/21/81/59/520218159.db2.gz VBNIXYSUMGVITD-VQHPVUNQSA-N 2 1 281.488 2.427 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1ccccc1C ZINC000062740899 520308062 /nfs/dbraw/zinc/30/80/62/520308062.db2.gz NSWKFDKLXIFUHB-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP CCC[N@@H+](CCN(C)C)Cc1cccc(C[NH2+]C)c1 ZINC000052544158 521657995 /nfs/dbraw/zinc/65/79/95/521657995.db2.gz NQPUTNLXTOUERZ-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CCCN(CC[NH+](C)C)Cc1cccc(C[NH2+]C)c1 ZINC000052544158 521657996 /nfs/dbraw/zinc/65/79/96/521657996.db2.gz NQPUTNLXTOUERZ-UHFFFAOYSA-N 2 1 263.429 2.180 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815694 521711076 /nfs/dbraw/zinc/71/10/76/521711076.db2.gz KNDMZMVZUKLBEY-HNNXBMFYSA-N 2 1 262.397 2.387 10 0 CEAEMP C(CC[N@H+]1CCO[C@H]2CCCC[C@@H]21)C[NH2+]C1CC1 ZINC000052573029 518382800 /nfs/dbraw/zinc/38/28/00/518382800.db2.gz GPKCXGAOXUPHDZ-GJZGRUSLSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCCSCC2)O1 ZINC000052371160 518763342 /nfs/dbraw/zinc/76/33/42/518763342.db2.gz FLJHXTGRXUWIAF-ZIAGYGMSSA-N 2 1 286.485 2.361 10 0 CEAEMP CC(C)C[N@@H+](CCCC1CC[NH2+]CC1)CCN(C)C ZINC000050953839 519715326 /nfs/dbraw/zinc/71/53/26/519715326.db2.gz UUYAKUCBZSDZCF-UHFFFAOYSA-N 2 1 269.477 2.286 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2CCCC[C@H]2CCO)CCOCC1 ZINC000052181058 519719654 /nfs/dbraw/zinc/71/96/54/519719654.db2.gz MJZIIKVOFVBLTP-INIZCTEOSA-N 2 1 298.471 2.018 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCC ZINC000054601298 519907739 /nfs/dbraw/zinc/90/77/39/519907739.db2.gz IGUJHJIJAQMBMQ-GOOCMWNKSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCC(O)CC1 ZINC000054601484 519909486 /nfs/dbraw/zinc/90/94/86/519909486.db2.gz JFAMZQAAMIANLT-OZEOOWDWSA-N 2 1 266.429 2.285 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](CC)CCOC)o1 ZINC000052542677 519948743 /nfs/dbraw/zinc/94/87/43/519948743.db2.gz RGMAKPURIYUVMR-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP CCC[NH2+]Cc1coc(C[N@@H+](CCOC)[C@@H](C)COC)c1 ZINC000052572390 519966488 /nfs/dbraw/zinc/96/64/88/519966488.db2.gz PWUOPLNSVQVUGN-AWEZNQCLSA-N 2 1 298.427 2.263 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940717 520023235 /nfs/dbraw/zinc/02/32/35/520023235.db2.gz WFQFDENOTHRZFD-OAGGEKHMSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@@H](C)COC)cc1C ZINC000052512030 520027807 /nfs/dbraw/zinc/02/78/07/520027807.db2.gz DEXXETLVJCAYRU-LBPRGKRZSA-N 2 1 254.374 2.164 10 0 CEAEMP CC1(C)C[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022937 520492487 /nfs/dbraw/zinc/49/24/87/520492487.db2.gz GTNKUMLDQOXUPF-ZDUSSCGKSA-N 2 1 261.369 2.165 10 0 CEAEMP CC1(C)C[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022937 520492493 /nfs/dbraw/zinc/49/24/93/520492493.db2.gz GTNKUMLDQOXUPF-ZDUSSCGKSA-N 2 1 261.369 2.165 10 0 CEAEMP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)CC1CC1 ZINC000069239454 521004560 /nfs/dbraw/zinc/00/45/60/521004560.db2.gz HQWKKPGVAVQVTK-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)CC1CC1 ZINC000069239454 521004572 /nfs/dbraw/zinc/00/45/72/521004572.db2.gz HQWKKPGVAVQVTK-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)CC1CC1)[NH2+]C ZINC000069239482 521145634 /nfs/dbraw/zinc/14/56/34/521145634.db2.gz COQKMENARGWGON-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)CC1CC1)[NH2+]C ZINC000069239482 521145642 /nfs/dbraw/zinc/14/56/42/521145642.db2.gz COQKMENARGWGON-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C[NH2+]CC(C)C)C[C@@H]1CCCO1 ZINC000052510635 521201896 /nfs/dbraw/zinc/20/18/96/521201896.db2.gz BYQUBRLEDCIZMP-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[N@@H+](C[C@H]1CCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182553 521269764 /nfs/dbraw/zinc/26/97/64/521269764.db2.gz CBTXYLPTSLTIGU-MRXNPFEDSA-N 2 1 296.455 2.036 10 0 CEAEMP CC[N@H+](Cc1ccccc1)Cc1cccnc1C(N)=[NH2+] ZINC000061657892 521370912 /nfs/dbraw/zinc/37/09/12/521370912.db2.gz SOZFXMVACJDFGI-UHFFFAOYSA-N 2 1 268.364 2.388 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)Cc1cccnc1C(N)=[NH2+] ZINC000061657892 521370920 /nfs/dbraw/zinc/37/09/20/521370920.db2.gz SOZFXMVACJDFGI-UHFFFAOYSA-N 2 1 268.364 2.388 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1ccnc(C[NH3+])c1 ZINC000068750246 521560231 /nfs/dbraw/zinc/56/02/31/521560231.db2.gz IZDZDVJGJDCJTJ-UHFFFAOYSA-N 2 1 265.401 2.177 10 0 CEAEMP CCC[N@@H+](CCCC1CC[NH2+]CC1)CCN(C)C ZINC000050954131 521651841 /nfs/dbraw/zinc/65/18/41/521651841.db2.gz QAQXUBBOUVQNIO-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCCOCC(F)(F)F ZINC000049312240 521658969 /nfs/dbraw/zinc/65/89/69/521658969.db2.gz GISJNCYFLVIIAE-NSHDSACASA-N 2 1 268.323 2.029 10 0 CEAEMP CC[N@H+]1CCC[C@H]1C[NH2+]CCCOCC(F)(F)F ZINC000049312240 521658972 /nfs/dbraw/zinc/65/89/72/521658972.db2.gz GISJNCYFLVIIAE-NSHDSACASA-N 2 1 268.323 2.029 10 0 CEAEMP CCC1(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000062847667 521666481 /nfs/dbraw/zinc/66/64/81/521666481.db2.gz IWNSICXHRQNBSZ-OAHLLOKOSA-N 2 1 295.471 2.147 10 0 CEAEMP CCN1CC[NH+](Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052422392 521687954 /nfs/dbraw/zinc/68/79/54/521687954.db2.gz UAMXHSPZNGUAQZ-UHFFFAOYSA-N 2 1 289.448 2.498 10 0 CEAEMP CCC1(CC)CC[NH+]([C@H](C)C[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000068645346 521688093 /nfs/dbraw/zinc/68/80/93/521688093.db2.gz XOQSLKVEGWBAQO-HIFRSBDPSA-N 2 1 283.460 2.131 10 0 CEAEMP COCC[C@H]([NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052810635 521951206 /nfs/dbraw/zinc/95/12/06/521951206.db2.gz SJUWBPJBKBLTOB-KRWDZBQOSA-N 2 1 276.424 2.305 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763344 521968652 /nfs/dbraw/zinc/96/86/52/521968652.db2.gz YUNZVHXHPAWTIY-AWEZNQCLSA-N 2 1 254.418 2.003 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccsc2)CCOCC1 ZINC000052181598 521970375 /nfs/dbraw/zinc/97/03/75/521970375.db2.gz WVNOOGJZZBQQLQ-UHFFFAOYSA-N 2 1 268.426 2.196 10 0 CEAEMP C[NH2+]CC1(C[N@H+](C)Cc2ccsc2)CCOCC1 ZINC000052181598 521970368 /nfs/dbraw/zinc/97/03/68/521970368.db2.gz WVNOOGJZZBQQLQ-UHFFFAOYSA-N 2 1 268.426 2.196 10 0 CEAEMP CC[C@@H](C)C[N@H+]1CCCN([C@@H](CC)CC[NH3+])CC1 ZINC000050424214 521988786 /nfs/dbraw/zinc/98/87/86/521988786.db2.gz CHZVYGKOEVRFKO-CABCVRRESA-N 2 1 255.450 2.168 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)CCc2ccncc2)c(C)o1 ZINC000052483158 522103099 /nfs/dbraw/zinc/10/30/99/522103099.db2.gz KJELIBSXMIUSGR-UHFFFAOYSA-N 2 1 273.380 2.377 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000052543583 522117585 /nfs/dbraw/zinc/11/75/85/522117585.db2.gz JQYKPCFGBRHFAR-CYBMUJFWSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[C@H](C[NH2+]C(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515228 522192146 /nfs/dbraw/zinc/19/21/46/522192146.db2.gz XAMVOHTXSIBHAG-OAHLLOKOSA-N 3 1 255.450 2.037 10 0 CEAEMP CC[C@H]([NH3+])c1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000054717189 522349693 /nfs/dbraw/zinc/34/96/93/522349693.db2.gz YKRCODTXNLARJF-ZDUSSCGKSA-N 2 1 274.368 2.362 10 0 CEAEMP Cn1cc(C[N@@H+](C)CCCC[NH2+]C(C)(C)C)cn1 ZINC000052570269 522733971 /nfs/dbraw/zinc/73/39/71/522733971.db2.gz REWPGALJBIJBMQ-UHFFFAOYSA-N 2 1 252.406 2.020 10 0 CEAEMP C[N@H+]([C@H](CC(N)=S)c1ccccc1)C1CC[NH+](C)CC1 ZINC000055024495 523627178 /nfs/dbraw/zinc/62/71/78/523627178.db2.gz LYSHZDZBVCYFRR-OAHLLOKOSA-N 2 1 291.464 2.430 10 0 CEAEMP C[N@@H+]([C@H](CC(N)=S)c1ccccc1)C1CC[NH+](C)CC1 ZINC000055024495 523627184 /nfs/dbraw/zinc/62/71/84/523627184.db2.gz LYSHZDZBVCYFRR-OAHLLOKOSA-N 2 1 291.464 2.430 10 0 CEAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810865 523810959 /nfs/dbraw/zinc/81/09/59/523810959.db2.gz UAKONFQAYDHUBT-AWEZNQCLSA-N 2 1 273.380 2.070 10 0 CEAEMP C[N@H+]1CCCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054968944 523813546 /nfs/dbraw/zinc/81/35/46/523813546.db2.gz SECHPNLHMHQHSM-UHFFFAOYSA-N 2 1 282.457 2.041 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052547326 523938869 /nfs/dbraw/zinc/93/88/69/523938869.db2.gz JXUINTKVWXTPLD-ZDUSSCGKSA-N 2 1 283.416 2.420 10 0 CEAEMP C[C@H](CCC[NH2+]C1CC1)OCC[C@H]1CCC[N@H+]1C ZINC000052673546 524142529 /nfs/dbraw/zinc/14/25/29/524142529.db2.gz PHENOPYGHUDDPT-UKRRQHHQSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCO3)CC[C@@H](C)[NH2+]1 ZINC000061675047 524512472 /nfs/dbraw/zinc/51/24/72/524512472.db2.gz RFCDMEGXNJJEME-CHWSQXEVSA-N 2 1 276.380 2.378 10 0 CEAEMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)CC[C@H](C)[NH2+]1 ZINC000061675045 524514019 /nfs/dbraw/zinc/51/40/19/524514019.db2.gz RFCDMEGXNJJEME-BETUJISGSA-N 2 1 276.380 2.378 10 0 CEAEMP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)CC[C@H](C)[NH2+]1 ZINC000061675045 524514026 /nfs/dbraw/zinc/51/40/26/524514026.db2.gz RFCDMEGXNJJEME-BETUJISGSA-N 2 1 276.380 2.378 10 0 CEAEMP C[C@H]1C[N@@H+](CCCCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000052543578 524588361 /nfs/dbraw/zinc/58/83/61/524588361.db2.gz HEJGQRMVVPHOLR-ZDUSSCGKSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@H]1COCC[N@@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000052475780 524724771 /nfs/dbraw/zinc/72/47/71/524724771.db2.gz KBEWVIGQJYJLRI-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H]1COCC[N@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000052475780 524724782 /nfs/dbraw/zinc/72/47/82/524724782.db2.gz KBEWVIGQJYJLRI-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H](Cc1ccco1)[NH2+]C[C@H]([NH3+])Cc1ccccc1 ZINC000049147230 524927732 /nfs/dbraw/zinc/92/77/32/524927732.db2.gz WOPQHZLLCQGFLF-DZGCQCFKSA-N 2 1 258.365 2.370 10 0 CEAEMP C[C@@H]1C[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C[C@H](C)O1 ZINC000055022327 525057207 /nfs/dbraw/zinc/05/72/07/525057207.db2.gz OZXYROSXVQAUIN-SCRDCRAPSA-N 2 1 261.369 2.163 10 0 CEAEMP C[C@@H]1C[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C[C@H](C)O1 ZINC000055022327 525057215 /nfs/dbraw/zinc/05/72/15/525057215.db2.gz OZXYROSXVQAUIN-SCRDCRAPSA-N 2 1 261.369 2.163 10 0 CEAEMP O[C@]12CCCC[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161612737 526322504 /nfs/dbraw/zinc/32/25/04/526322504.db2.gz DIGTZKNKIZILCP-SJORKVTESA-N 2 1 280.456 2.489 10 0 CEAEMP [NH3+]CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000055017726 527190611 /nfs/dbraw/zinc/19/06/11/527190611.db2.gz AMSZNBBBNSZFND-CVEARBPZSA-N 2 1 262.397 2.313 10 0 CEAEMP [NH3+]Cc1ncccc1C[N@@H+]1CCc2sccc2C1 ZINC000061656555 527266552 /nfs/dbraw/zinc/26/65/52/527266552.db2.gz DSCQRSLSKUXJSR-UHFFFAOYSA-N 2 1 259.378 2.160 10 0 CEAEMP [NH3+]Cc1ncccc1C[N@H+]1CCc2sccc2C1 ZINC000061656555 527266556 /nfs/dbraw/zinc/26/65/56/527266556.db2.gz DSCQRSLSKUXJSR-UHFFFAOYSA-N 2 1 259.378 2.160 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC[NH2+]C[C@]1(C)c1ccccc1 ZINC000068696571 527426686 /nfs/dbraw/zinc/42/66/86/527426686.db2.gz GDHSGUWNFROLBN-QGZVFWFLSA-N 2 1 284.407 2.012 10 0 CEAEMP C[N@@H+](Cc1cccc2c1NCCC2)C[C@@H]1CC[NH+](C)C1 ZINC000312738431 628494388 /nfs/dbraw/zinc/49/43/88/628494388.db2.gz UTWWIAPXPCTNIZ-CQSZACIVSA-N 2 1 273.424 2.428 10 0 CEAEMP C[N@H+](Cc1cccc2c1NCCC2)C[C@@H]1CC[NH+](C)C1 ZINC000312738431 628494392 /nfs/dbraw/zinc/49/43/92/628494392.db2.gz UTWWIAPXPCTNIZ-CQSZACIVSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1cccc2c1NCCC2)C[C@@H]1CC[N@H+](C)C1 ZINC000312738431 628494396 /nfs/dbraw/zinc/49/43/96/628494396.db2.gz UTWWIAPXPCTNIZ-CQSZACIVSA-N 2 1 273.424 2.428 10 0 CEAEMP C[NH+](Cc1cccc2c1NCCC2)C[C@@H]1CC[N@@H+](C)C1 ZINC000312738431 628494400 /nfs/dbraw/zinc/49/44/00/628494400.db2.gz UTWWIAPXPCTNIZ-CQSZACIVSA-N 2 1 273.424 2.428 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000399127901 628777239 /nfs/dbraw/zinc/77/72/39/628777239.db2.gz UIXRQRGFPZFSTE-QGZVFWFLSA-N 2 1 274.408 2.184 10 0 CEAEMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000113514398 644415372 /nfs/dbraw/zinc/41/53/72/644415372.db2.gz SAWGRKFEEUSCHZ-WFASDCNBSA-N 2 1 282.815 2.257 10 0 CEAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000113514398 644415377 /nfs/dbraw/zinc/41/53/77/644415377.db2.gz SAWGRKFEEUSCHZ-WFASDCNBSA-N 2 1 282.815 2.257 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133847621 652735328 /nfs/dbraw/zinc/73/53/28/652735328.db2.gz UTOCBQHCPAXJMO-MSOLQXFVSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133847621 652735333 /nfs/dbraw/zinc/73/53/33/652735333.db2.gz UTOCBQHCPAXJMO-MSOLQXFVSA-N 2 1 287.451 2.383 10 0 CEAEMP CC[NH+](CC)CCC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC000097009314 185151713 /nfs/dbraw/zinc/15/17/13/185151713.db2.gz UHFRNXGFGRNNHL-ZDUSSCGKSA-N 3 1 252.406 2.067 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261595555 539185471 /nfs/dbraw/zinc/18/54/71/539185471.db2.gz OGWXFPJXXIFMDJ-ZNMIVQPWSA-N 2 1 260.381 2.173 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700561 365764959 /nfs/dbraw/zinc/76/49/59/365764959.db2.gz DXSZODMUZRUEHA-KRWDZBQOSA-N 2 1 288.435 2.355 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700561 365764968 /nfs/dbraw/zinc/76/49/68/365764968.db2.gz DXSZODMUZRUEHA-KRWDZBQOSA-N 2 1 288.435 2.355 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700561 365764974 /nfs/dbraw/zinc/76/49/74/365764974.db2.gz DXSZODMUZRUEHA-KRWDZBQOSA-N 2 1 288.435 2.355 10 0 CEAEMP CCC[NH2+][C@H](CCOCC)CCc1[nH+]ccn1C ZINC000097451758 185607973 /nfs/dbraw/zinc/60/79/73/185607973.db2.gz ZMQLTXXVAAFSEZ-ZDUSSCGKSA-N 2 1 253.390 2.148 10 0 CEAEMP CCC1CCC([N@@H+](C)CCC[C@@](C)(O)C[NH3+])CC1 ZINC000085301591 179010263 /nfs/dbraw/zinc/01/02/63/179010263.db2.gz MCWTXJFMIHFONO-YMAMQOFZSA-N 2 1 256.434 2.377 10 0 CEAEMP CC(C)CO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1(C)C ZINC000085400651 179052043 /nfs/dbraw/zinc/05/20/43/179052043.db2.gz JONBWYBHFHGVQB-ZNMIVQPWSA-N 2 1 268.445 2.367 10 0 CEAEMP CC(C)c1nc2c(n1C[C@H]1CC[N@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572510 179097199 /nfs/dbraw/zinc/09/71/99/179097199.db2.gz JDHQRUBPJSVIGW-AWEZNQCLSA-N 2 1 290.455 2.383 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623751 179107325 /nfs/dbraw/zinc/10/73/25/179107325.db2.gz ULGMVSAUZLESPU-BPUTZDHNSA-N 2 1 266.429 2.408 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cccc3cccnc32)CCC[NH2+]1 ZINC000085610037 179101026 /nfs/dbraw/zinc/10/10/26/179101026.db2.gz RVCMQLKAKKXQNR-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCC[NH2+]1 ZINC000085610037 179101029 /nfs/dbraw/zinc/10/10/29/179101029.db2.gz RVCMQLKAKKXQNR-ZDUSSCGKSA-N 2 1 255.365 2.419 10 0 CEAEMP C(C1CCOCC1)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610588 179101617 /nfs/dbraw/zinc/10/16/17/179101617.db2.gz QKIVRTIDCHKREJ-UHFFFAOYSA-N 2 1 266.429 2.411 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CCC[NH2+]C(C)(C)C2)c1C ZINC000085611558 179102361 /nfs/dbraw/zinc/10/23/61/179102361.db2.gz ROGTVQUAZDWTMQ-UHFFFAOYSA-N 2 1 277.412 2.281 10 0 CEAEMP CCOCC[N@H+]1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085620774 179105497 /nfs/dbraw/zinc/10/54/97/179105497.db2.gz NJTGGCGECGTCQT-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1CCN[C@H](C(C)(C)C)C1 ZINC000086146736 179239958 /nfs/dbraw/zinc/23/99/58/179239958.db2.gz MZAJNPPQNOLNLI-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1CCN[C@H](C(C)(C)C)C1 ZINC000086146736 179239960 /nfs/dbraw/zinc/23/99/60/179239960.db2.gz MZAJNPPQNOLNLI-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1CCN[C@H](C(C)(C)C)C1 ZINC000086146736 179239962 /nfs/dbraw/zinc/23/99/62/179239962.db2.gz MZAJNPPQNOLNLI-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[N@H+](C)CCCCN1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000086146736 179239963 /nfs/dbraw/zinc/23/99/63/179239963.db2.gz MZAJNPPQNOLNLI-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000086146736 179239965 /nfs/dbraw/zinc/23/99/65/179239965.db2.gz MZAJNPPQNOLNLI-HNNXBMFYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086171816 179243567 /nfs/dbraw/zinc/24/35/67/179243567.db2.gz RYZZYLFADAFVNL-OWCLPIDISA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086171815 179243726 /nfs/dbraw/zinc/24/37/26/179243726.db2.gz RYZZYLFADAFVNL-BZUAXINKSA-N 2 1 267.461 2.037 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086145827 179238886 /nfs/dbraw/zinc/23/88/86/179238886.db2.gz LPQWWWAEMUEAFE-SJORKVTESA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223015 179250380 /nfs/dbraw/zinc/25/03/80/179250380.db2.gz AWFHLZPDJFJBRU-OWCLPIDISA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223174 179252468 /nfs/dbraw/zinc/25/24/68/179252468.db2.gz JLGOWXVRPQLKJI-OWCLPIDISA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223939 179253102 /nfs/dbraw/zinc/25/31/02/179253102.db2.gz FIARODJHDJJYLD-ZNMIVQPWSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223928 179253416 /nfs/dbraw/zinc/25/34/16/179253416.db2.gz RKFLLCXJWZUYFO-IKGGRYGDSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259254 179258807 /nfs/dbraw/zinc/25/88/07/179258807.db2.gz HYNWJZRMDACYCO-CVEARBPZSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]([C@H]1CCCO1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287096 179264657 /nfs/dbraw/zinc/26/46/57/179264657.db2.gz BGLWGTDPGPQTDL-UONOGXRCSA-N 2 1 252.402 2.162 10 0 CEAEMP C1CC1[N@H+]1CC[C@@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291906 179266923 /nfs/dbraw/zinc/26/69/23/179266923.db2.gz SSUKSICNPNMOFP-MRXNPFEDSA-N 2 1 277.456 2.221 10 0 CEAEMP c1ccc(C[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086297586 179267257 /nfs/dbraw/zinc/26/72/57/179267257.db2.gz JMKXAVCGVUUPCE-IAGOWNOFSA-N 2 1 274.408 2.072 10 0 CEAEMP c1ccc(C[C@@H]2C[N@H+]([C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086297586 179267260 /nfs/dbraw/zinc/26/72/60/179267260.db2.gz JMKXAVCGVUUPCE-IAGOWNOFSA-N 2 1 274.408 2.072 10 0 CEAEMP CC[C@]1(C)C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297913 179268502 /nfs/dbraw/zinc/26/85/02/179268502.db2.gz ZJPQAAURTYYOQI-CYBMUJFWSA-N 2 1 253.415 2.150 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297913 179268503 /nfs/dbraw/zinc/26/85/03/179268503.db2.gz ZJPQAAURTYYOQI-CYBMUJFWSA-N 2 1 253.415 2.150 10 0 CEAEMP CCC[C@H](COC)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086299572 179269076 /nfs/dbraw/zinc/26/90/76/179269076.db2.gz JYGSKEDWZPQRFN-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835471 179349714 /nfs/dbraw/zinc/34/97/14/179349714.db2.gz ZXQJGLDXFUGEEQ-NFOMZHRRSA-N 2 1 254.418 2.142 10 0 CEAEMP CC(C)C[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817431 179344821 /nfs/dbraw/zinc/34/48/21/179344821.db2.gz VLRHFEFXGQSLJQ-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)N(C)C ZINC000086817431 179344822 /nfs/dbraw/zinc/34/48/22/179344822.db2.gz VLRHFEFXGQSLJQ-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)N(C)C ZINC000086817431 179344823 /nfs/dbraw/zinc/34/48/23/179344823.db2.gz VLRHFEFXGQSLJQ-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817427 179345043 /nfs/dbraw/zinc/34/50/43/179345043.db2.gz ZFFULUFZEJUXAG-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NCC[NH+](CC)CC)CC1 ZINC000086835493 179349655 /nfs/dbraw/zinc/34/96/55/179349655.db2.gz SBUWSRCMFBRLNO-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846965 179356432 /nfs/dbraw/zinc/35/64/32/179356432.db2.gz NLJOORUQWZHPDJ-MRXNPFEDSA-N 2 1 279.428 2.303 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848649 179356744 /nfs/dbraw/zinc/35/67/44/179356744.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848649 179356747 /nfs/dbraw/zinc/35/67/47/179356747.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848649 179356749 /nfs/dbraw/zinc/35/67/49/179356749.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848649 179356751 /nfs/dbraw/zinc/35/67/51/179356751.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848649 179356752 /nfs/dbraw/zinc/35/67/52/179356752.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847610 179356978 /nfs/dbraw/zinc/35/69/78/179356978.db2.gz KUCRIFHMKPSLQX-INIZCTEOSA-N 2 1 279.428 2.223 10 0 CEAEMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086839890 179350901 /nfs/dbraw/zinc/35/09/01/179350901.db2.gz VWEXLMDQYPIPNS-CABCVRRESA-N 2 1 283.460 2.096 10 0 CEAEMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086839890 179350904 /nfs/dbraw/zinc/35/09/04/179350904.db2.gz VWEXLMDQYPIPNS-CABCVRRESA-N 2 1 283.460 2.096 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843731 179352449 /nfs/dbraw/zinc/35/24/49/179352449.db2.gz DYYAQKIZTXVSJY-HNNXBMFYSA-N 3 1 255.450 2.182 10 0 CEAEMP CCN1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086842306 179352969 /nfs/dbraw/zinc/35/29/69/179352969.db2.gz WBTBHNFSMSARNT-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086842306 179352970 /nfs/dbraw/zinc/35/29/70/179352970.db2.gz WBTBHNFSMSARNT-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086842306 179352972 /nfs/dbraw/zinc/35/29/72/179352972.db2.gz WBTBHNFSMSARNT-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086842306 179352973 /nfs/dbraw/zinc/35/29/73/179352973.db2.gz WBTBHNFSMSARNT-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086842306 179352976 /nfs/dbraw/zinc/35/29/76/179352976.db2.gz WBTBHNFSMSARNT-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842819 179353403 /nfs/dbraw/zinc/35/34/03/179353403.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842819 179353405 /nfs/dbraw/zinc/35/34/05/179353405.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000086842819 179353407 /nfs/dbraw/zinc/35/34/07/179353407.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840828 179353547 /nfs/dbraw/zinc/35/35/47/179353547.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840828 179353549 /nfs/dbraw/zinc/35/35/49/179353549.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840828 179353550 /nfs/dbraw/zinc/35/35/50/179353550.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840828 179353551 /nfs/dbraw/zinc/35/35/51/179353551.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 3 1 279.472 2.323 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840828 179353553 /nfs/dbraw/zinc/35/35/53/179353553.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 3 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086840828 179353555 /nfs/dbraw/zinc/35/35/55/179353555.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 3 1 279.472 2.323 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086840828 179353556 /nfs/dbraw/zinc/35/35/56/179353556.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 3 1 279.472 2.323 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC2CC[NH+](CC)CC2)CC1 ZINC000086842261 179353762 /nfs/dbraw/zinc/35/37/62/179353762.db2.gz SJAKQFLXSMEDLD-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(CC)CC2)CC1 ZINC000086842261 179353763 /nfs/dbraw/zinc/35/37/63/179353763.db2.gz SJAKQFLXSMEDLD-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C2CCN(CC)CC2)CC1 ZINC000086842261 179353766 /nfs/dbraw/zinc/35/37/66/179353766.db2.gz SJAKQFLXSMEDLD-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845063 179354355 /nfs/dbraw/zinc/35/43/55/179354355.db2.gz PECDTEZERZGLBR-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP Cc1ccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCOCC2)cc1 ZINC000086874867 179364745 /nfs/dbraw/zinc/36/47/45/179364745.db2.gz PAWOOMIGWHMPOL-INIZCTEOSA-N 2 1 262.397 2.325 10 0 CEAEMP Cc1ccc(C[N@H+](C)[C@@]2(C[NH3+])CCCOCC2)cc1 ZINC000086874867 179364746 /nfs/dbraw/zinc/36/47/46/179364746.db2.gz PAWOOMIGWHMPOL-INIZCTEOSA-N 2 1 262.397 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848955 179358666 /nfs/dbraw/zinc/35/86/66/179358666.db2.gz NVFSTXXYLBCYTH-MRXNPFEDSA-N 2 1 265.445 2.064 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])(N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000086891435 179366435 /nfs/dbraw/zinc/36/64/35/179366435.db2.gz LBSVYUQUJUJJHS-ZBFHGGJFSA-N 2 1 267.461 2.310 10 0 CEAEMP COc1ccc([C@H]2[C@H](C[NH3+])CCC[N@@H+]2C)cc1F ZINC000086994638 179376215 /nfs/dbraw/zinc/37/62/15/179376215.db2.gz VZFCSRQMYVSDNP-FZMZJTMJSA-N 2 1 252.333 2.176 10 0 CEAEMP COc1ccc([C@H]2[C@H](C[NH3+])CCC[N@H+]2C)cc1F ZINC000086994638 179376218 /nfs/dbraw/zinc/37/62/18/179376218.db2.gz VZFCSRQMYVSDNP-FZMZJTMJSA-N 2 1 252.333 2.176 10 0 CEAEMP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000087045141 179388005 /nfs/dbraw/zinc/38/80/05/179388005.db2.gz JTTCUVWSLGWFPA-FYRZTWFESA-N 2 1 268.445 2.248 10 0 CEAEMP C[NH2+][C@@H](CSCC(C)C)Cc1cc[nH+]c(N)c1 ZINC000087122982 179395883 /nfs/dbraw/zinc/39/58/83/179395883.db2.gz DXBWXWVMXJJZMM-GFCCVEGCSA-N 2 1 253.415 2.184 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400514773 233179439 /nfs/dbraw/zinc/17/94/39/233179439.db2.gz MSNGGJAWHOBMSO-INMHGKMJSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400514773 233179440 /nfs/dbraw/zinc/17/94/40/233179440.db2.gz MSNGGJAWHOBMSO-INMHGKMJSA-N 2 1 275.440 2.095 10 0 CEAEMP C[NH2+][C@@H]1CC[N@H+](CCOC2CCCCC2)[C@@H](C)C1 ZINC000104437960 186002150 /nfs/dbraw/zinc/00/21/50/186002150.db2.gz KBQPWKWTXDDUIZ-UONOGXRCSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@@H]1CC[N@@H+](CCOC2CCCCC2)[C@@H](C)C1 ZINC000104437960 186002152 /nfs/dbraw/zinc/00/21/52/186002152.db2.gz KBQPWKWTXDDUIZ-UONOGXRCSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693971 180026110 /nfs/dbraw/zinc/02/61/10/180026110.db2.gz CCPQTIWDNNMNQZ-SQWLQELKSA-N 2 1 295.471 2.144 10 0 CEAEMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693971 180026112 /nfs/dbraw/zinc/02/61/12/180026112.db2.gz CCPQTIWDNNMNQZ-SQWLQELKSA-N 2 1 295.471 2.144 10 0 CEAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000090874018 180050149 /nfs/dbraw/zinc/05/01/49/180050149.db2.gz UJITYALUOVVUGU-OAHLLOKOSA-N 2 1 262.397 2.297 10 0 CEAEMP CC[C@@](C)(C[NH3+])[N@H+](C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897018 180057023 /nfs/dbraw/zinc/05/70/23/180057023.db2.gz DXQDXXLXUMSILH-HOCLYGCPSA-N 2 1 262.397 2.358 10 0 CEAEMP CC[C@@](C)(C[NH3+])[N@@H+](C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897018 180057025 /nfs/dbraw/zinc/05/70/25/180057025.db2.gz DXQDXXLXUMSILH-HOCLYGCPSA-N 2 1 262.397 2.358 10 0 CEAEMP [NH3+][C@@H](CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090908652 180062246 /nfs/dbraw/zinc/06/22/46/180062246.db2.gz WLMLINYWSQIJGT-XHSDSOJGSA-N 2 1 260.381 2.330 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017524 180086996 /nfs/dbraw/zinc/08/69/96/180086996.db2.gz HKPHPZXKNYNPOB-ZDUSSCGKSA-N 2 1 272.396 2.383 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+](C)CC1CC(O)C1 ZINC000091499464 180173660 /nfs/dbraw/zinc/17/36/60/180173660.db2.gz HYNOZFBERFDQPV-BHDPWAOGSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[NH2+][C@@H](Cc1ncnn1CC)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607584 180204150 /nfs/dbraw/zinc/20/41/50/180204150.db2.gz ITJHFITWVHKMQG-GOEBONIOSA-N 2 1 293.459 2.083 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCC1 ZINC000091536121 180182562 /nfs/dbraw/zinc/18/25/62/180182562.db2.gz LRPVCPXNHYTBGT-HNNXBMFYSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@H](Cc1cnn(C)c1)C1([NH+](C)C)CCCC1 ZINC000091638312 180212108 /nfs/dbraw/zinc/21/21/08/180212108.db2.gz FZWXXIOOXNFDNP-OAHLLOKOSA-N 2 1 278.444 2.205 10 0 CEAEMP CC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C1CCC([NH3+])CC1 ZINC000091850638 180272470 /nfs/dbraw/zinc/27/24/70/180272470.db2.gz NFCZYDVZPPLSAK-NFOMZHRRSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C1CCC([NH3+])CC1 ZINC000091852557 180273128 /nfs/dbraw/zinc/27/31/28/180273128.db2.gz UVQLUFLWVIFCPO-NFOMZHRRSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[C@@H]([NH3+])c1ccn(C[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000091816430 180261790 /nfs/dbraw/zinc/26/17/90/180261790.db2.gz NMHRGXUJUSDFCY-LSDHHAIUSA-N 2 1 265.401 2.007 10 0 CEAEMP C[N@@H+]([C@@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091843752 180268826 /nfs/dbraw/zinc/26/88/26/180268826.db2.gz HOFHJGYEYRFIAK-QIMFLAQGSA-N 2 1 262.353 2.027 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844604 180269249 /nfs/dbraw/zinc/26/92/49/180269249.db2.gz FWCOIGQPNOONHE-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844604 180269252 /nfs/dbraw/zinc/26/92/52/180269252.db2.gz FWCOIGQPNOONHE-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[NH+]1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844604 180269254 /nfs/dbraw/zinc/26/92/54/180269254.db2.gz FWCOIGQPNOONHE-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CCN1CCC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844604 180269255 /nfs/dbraw/zinc/26/92/55/180269255.db2.gz FWCOIGQPNOONHE-SLTAFYQDSA-N 2 1 253.434 2.063 10 0 CEAEMP CCN1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844604 180269258 /nfs/dbraw/zinc/26/92/58/180269258.db2.gz FWCOIGQPNOONHE-SLTAFYQDSA-N 2 1 253.434 2.063 10 0 CEAEMP CCc1nn(C)c(C[N@H+](C)C2CCC([NH3+])CC2)c1Cl ZINC000091846797 180270593 /nfs/dbraw/zinc/27/05/93/180270593.db2.gz QZQRLNSDMAVHLI-UHFFFAOYSA-N 2 1 284.835 2.338 10 0 CEAEMP CCc1nn(C)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1Cl ZINC000091846797 180270595 /nfs/dbraw/zinc/27/05/95/180270595.db2.gz QZQRLNSDMAVHLI-UHFFFAOYSA-N 2 1 284.835 2.338 10 0 CEAEMP C[N@H+](Cc1noc(-c2ccsc2)n1)C1CCC([NH3+])CC1 ZINC000091847230 180271025 /nfs/dbraw/zinc/27/10/25/180271025.db2.gz UHDKWBHLHBNXJJ-UHFFFAOYSA-N 2 1 292.408 2.500 10 0 CEAEMP C[N@@H+](Cc1noc(-c2ccsc2)n1)C1CCC([NH3+])CC1 ZINC000091847230 180271027 /nfs/dbraw/zinc/27/10/27/180271027.db2.gz UHDKWBHLHBNXJJ-UHFFFAOYSA-N 2 1 292.408 2.500 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000091870676 180277055 /nfs/dbraw/zinc/27/70/55/180277055.db2.gz FSJWGNTYBLMJCG-GPANFISMSA-N 2 1 262.397 2.182 10 0 CEAEMP CCCn1cncc1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870965 180277413 /nfs/dbraw/zinc/27/74/13/180277413.db2.gz WXKIXBBCOKOMRI-UHFFFAOYSA-N 2 1 264.417 2.256 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC000091870337 180277518 /nfs/dbraw/zinc/27/75/18/180277518.db2.gz QJDXANDMXNOQPG-UHFFFAOYSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[C@H]([NH3+])c1ccccc1OC[C@H]1C[N@H+](CC)CCO1 ZINC000092050981 180311716 /nfs/dbraw/zinc/31/17/16/180311716.db2.gz VXPATPZEECWHQZ-HIFRSBDPSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@H]([NH3+])c1ccccc1OC[C@H]1C[N@@H+](CC)CCO1 ZINC000092050981 180311718 /nfs/dbraw/zinc/31/17/18/180311718.db2.gz VXPATPZEECWHQZ-HIFRSBDPSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2ccc(C)cc2[C@@H](C)[NH3+])C1 ZINC000092051180 180312543 /nfs/dbraw/zinc/31/25/43/180312543.db2.gz RLIOIKHTJPMQBB-KGLIPLIRSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2ccc(C)cc2[C@@H](C)[NH3+])C1 ZINC000092051180 180312545 /nfs/dbraw/zinc/31/25/45/180312545.db2.gz RLIOIKHTJPMQBB-KGLIPLIRSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2ccc(C)cc2[C@H](C)[NH3+])C1 ZINC000092051341 180312596 /nfs/dbraw/zinc/31/25/96/180312596.db2.gz RLIOIKHTJPMQBB-KBPBESRZSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2ccc(C)cc2[C@H](C)[NH3+])C1 ZINC000092051341 180312599 /nfs/dbraw/zinc/31/25/99/180312599.db2.gz RLIOIKHTJPMQBB-KBPBESRZSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[C@H]([NH3+])Cc1cccc(OC[C@@H]2C[N@H+](CC)CCO2)c1 ZINC000092060665 180315282 /nfs/dbraw/zinc/31/52/82/180315282.db2.gz YOOJVCRPVNRIDS-RDJZCZTQSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@H]([NH3+])Cc1cccc(OC[C@@H]2C[N@@H+](CC)CCO2)c1 ZINC000092060665 180315284 /nfs/dbraw/zinc/31/52/84/180315284.db2.gz YOOJVCRPVNRIDS-RDJZCZTQSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[N@@H+](Cc1nc(C)ccc1O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091996220 180301800 /nfs/dbraw/zinc/30/18/00/180301800.db2.gz WZXQEFYWAWIQQC-UKRRQHHQSA-N 2 1 277.412 2.435 10 0 CEAEMP C[C@H](CC(N)=[NH2+])[N@@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092262342 180354768 /nfs/dbraw/zinc/35/47/68/180354768.db2.gz NQXDDBRPFHTRFJ-PWSUYJOCSA-N 2 1 263.410 2.350 10 0 CEAEMP Cc1cc(NCc2ccc(C[NH3+])cc2F)nc(C)[nH+]1 ZINC000109540737 186260595 /nfs/dbraw/zinc/26/05/95/186260595.db2.gz XLOQCRAJZXIMGH-UHFFFAOYSA-N 2 1 260.316 2.303 10 0 CEAEMP CN(c1cc(CO)[nH+]c2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000109594728 186265203 /nfs/dbraw/zinc/26/52/03/186265203.db2.gz WQCCMSRLPNUQBC-CQSZACIVSA-N 2 1 285.391 2.258 10 0 CEAEMP CN(c1cc(CO)[nH+]c2ccccc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000109594728 186265204 /nfs/dbraw/zinc/26/52/04/186265204.db2.gz WQCCMSRLPNUQBC-CQSZACIVSA-N 2 1 285.391 2.258 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cc(C)cc(C)c2)C[C@@H]1C ZINC000110708590 186313837 /nfs/dbraw/zinc/31/38/37/186313837.db2.gz SNSCEKCHXWAKDC-RDJZCZTQSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110704202 186314122 /nfs/dbraw/zinc/31/41/22/186314122.db2.gz LNXFRXJHETXRIX-DAXOMENPSA-N 2 1 279.403 2.240 10 0 CEAEMP CCOc1ccccc1[C@@H]([NH3+])CN1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110715378 186315370 /nfs/dbraw/zinc/31/53/70/186315370.db2.gz CXHDHCOFYWTITF-HOCLYGCPSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[N@H+]1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])C[C@@H]1C ZINC000110714388 186315747 /nfs/dbraw/zinc/31/57/47/186315747.db2.gz FVXCMEIAYHWXPZ-QGTPRVQTSA-N 2 1 287.451 2.417 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(SC)cc2)CC[N@H+]1C ZINC000110711183 186315954 /nfs/dbraw/zinc/31/59/54/186315954.db2.gz DDSKHRLZKGKGOH-ZBFHGGJFSA-N 2 1 293.480 2.434 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2C)CC[N@H+]1C ZINC000110710126 186316216 /nfs/dbraw/zinc/31/62/16/186316216.db2.gz GQQZLPQTRJLBBA-ZBFHGGJFSA-N 2 1 279.403 2.160 10 0 CEAEMP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711659 186316240 /nfs/dbraw/zinc/31/62/40/186316240.db2.gz ICOKAIXEGUKUTK-HNNXBMFYSA-N 2 1 279.403 2.160 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2c3ccccc3sc2C[NH3+])CCN1C ZINC000110751015 186319784 /nfs/dbraw/zinc/31/97/84/186319784.db2.gz ORMGLHCIZDKNQG-LBPRGKRZSA-N 2 1 289.448 2.496 10 0 CEAEMP C[C@H]1CN(Cc2c3ccccc3sc2C[NH3+])CC[N@@H+]1C ZINC000110751015 186319785 /nfs/dbraw/zinc/31/97/85/186319785.db2.gz ORMGLHCIZDKNQG-LBPRGKRZSA-N 2 1 289.448 2.496 10 0 CEAEMP C[C@H]1CN(Cc2c3ccccc3sc2C[NH3+])CC[N@H+]1C ZINC000110751015 186319787 /nfs/dbraw/zinc/31/97/87/186319787.db2.gz ORMGLHCIZDKNQG-LBPRGKRZSA-N 2 1 289.448 2.496 10 0 CEAEMP CC[C@H]1C[N@H+]([C@@H](C)CCC[NH2+]CC(C)C)CCN1C ZINC000110753771 186319991 /nfs/dbraw/zinc/31/99/91/186319991.db2.gz ZVHLXTVIMFCOIR-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@H]1CN(Cc2csc(C[NH2+]C(C)(C)C)n2)CC[N@H+]1C ZINC000110751727 186320485 /nfs/dbraw/zinc/32/04/85/186320485.db2.gz WURSLYQLYDRLET-LBPRGKRZSA-N 2 1 296.484 2.167 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](CC)CCOCC ZINC000111123785 186355274 /nfs/dbraw/zinc/35/52/74/186355274.db2.gz YONUJHDWRXJDJI-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1cccc(C[NH2+]C)c1 ZINC000111123803 186355526 /nfs/dbraw/zinc/35/55/26/186355526.db2.gz CTNGAPJDPQRHOS-UHFFFAOYSA-N 2 1 250.386 2.264 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+]2CCc3sccc3C2)CCCOC1 ZINC000111323975 186396691 /nfs/dbraw/zinc/39/66/91/186396691.db2.gz JQJZWEFNECQJJQ-OAHLLOKOSA-N 2 1 280.437 2.122 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@H+]2CCc3sccc3C2)CCCOC1 ZINC000111323975 186396692 /nfs/dbraw/zinc/39/66/92/186396692.db2.gz JQJZWEFNECQJJQ-OAHLLOKOSA-N 2 1 280.437 2.122 10 0 CEAEMP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000111320788 186397059 /nfs/dbraw/zinc/39/70/59/186397059.db2.gz ZJXABNOBGHFFDR-HZPDHXFCSA-N 2 1 262.397 2.181 10 0 CEAEMP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000111320788 186397061 /nfs/dbraw/zinc/39/70/61/186397061.db2.gz ZJXABNOBGHFFDR-HZPDHXFCSA-N 2 1 262.397 2.181 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H]2C)CCCOC1 ZINC000111323367 186397746 /nfs/dbraw/zinc/39/77/46/186397746.db2.gz ULZXGQYRYAOPBR-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccc(C)cc2)CCCOC1 ZINC000111324501 186398882 /nfs/dbraw/zinc/39/88/82/186398882.db2.gz WOMKGBLKEVGYIH-QGZVFWFLSA-N 2 1 276.424 2.443 10 0 CEAEMP CCC(CC)[N@@H+](CCCOC1CC[NH2+]CC1)CCOC ZINC000111803576 186458982 /nfs/dbraw/zinc/45/89/82/186458982.db2.gz JNWZQOHPKXUUCU-UHFFFAOYSA-N 2 1 286.460 2.282 10 0 CEAEMP C[N@H+](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638450 363835599 /nfs/dbraw/zinc/83/55/99/363835599.db2.gz KCLLUAVSWAULCP-KKUMJFAQSA-N 2 1 266.429 2.264 10 0 CEAEMP C[N@@H+](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638450 363835605 /nfs/dbraw/zinc/83/56/05/363835605.db2.gz KCLLUAVSWAULCP-KKUMJFAQSA-N 2 1 266.429 2.264 10 0 CEAEMP CCc1c[nH+]c(N)nc1NCc1ccccc1C[NH+](C)C ZINC000095353400 364343970 /nfs/dbraw/zinc/34/39/70/364343970.db2.gz NIUQNSDOKBBSFP-UHFFFAOYSA-N 2 1 285.395 2.295 10 0 CEAEMP C[NH+](C)[C@@H]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000159181190 366884803 /nfs/dbraw/zinc/88/48/03/366884803.db2.gz OKWSCTRYKFTLLR-QGZVFWFLSA-N 2 1 293.430 2.284 10 0 CEAEMP CCC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180094191 368368432 /nfs/dbraw/zinc/36/84/32/368368432.db2.gz IDWATPKTEDZISZ-HUUCEWRRSA-N 2 1 270.461 2.447 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)O ZINC000634576583 368725788 /nfs/dbraw/zinc/72/57/88/368725788.db2.gz VIDMNOYCLXHQAW-GOEBONIOSA-N 2 1 276.424 2.115 10 0 CEAEMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231455345 370479081 /nfs/dbraw/zinc/47/90/81/370479081.db2.gz MBADGDLLCNOYGU-HNNXBMFYSA-N 2 1 276.380 2.047 10 0 CEAEMP C[C@@]1(C[NH3+])CCN(c2cc[nH+]cc2Br)C1 ZINC000235441248 370566022 /nfs/dbraw/zinc/56/60/22/370566022.db2.gz GMNSFADXHPGWLD-NSHDSACASA-N 2 1 270.174 2.019 10 0 CEAEMP Cc1cccc([C@@H]2CCCN2Cc2noc(C[NH3+])n2)c1 ZINC000261605779 371675548 /nfs/dbraw/zinc/67/55/48/371675548.db2.gz BDBYDALMICGVIM-ZDUSSCGKSA-N 2 1 272.352 2.174 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]12 ZINC000261698542 371704866 /nfs/dbraw/zinc/70/48/66/371704866.db2.gz NYHRRGXXALXIQS-HYVNUMGLSA-N 2 1 282.391 2.041 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]12 ZINC000261721544 371710459 /nfs/dbraw/zinc/71/04/59/371710459.db2.gz KFYMQUMKPGFUSL-VNQPRFMTSA-N 2 1 267.376 2.404 10 0 CEAEMP CCn1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC000261739981 371715616 /nfs/dbraw/zinc/71/56/16/371715616.db2.gz SBSVDLLNEFWAIU-CFVMTHIKSA-N 2 1 284.407 2.225 10 0 CEAEMP CCn1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC000261739981 371715623 /nfs/dbraw/zinc/71/56/23/371715623.db2.gz SBSVDLLNEFWAIU-CFVMTHIKSA-N 2 1 284.407 2.225 10 0 CEAEMP Cc1ccccc1[C@H]1CCCN1Cc1noc(C[NH3+])n1 ZINC000261689203 371701900 /nfs/dbraw/zinc/70/19/00/371701900.db2.gz IXZOZDSHHLLYAU-CYBMUJFWSA-N 2 1 272.352 2.174 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000262134022 371829291 /nfs/dbraw/zinc/82/92/91/371829291.db2.gz DFVLNZFUFCKDNW-SJORKVTESA-N 2 1 267.376 2.256 10 0 CEAEMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262006941 371797277 /nfs/dbraw/zinc/79/72/77/371797277.db2.gz VDZPDLVTHHUNIR-QCODTGAPSA-N 2 1 266.429 2.312 10 0 CEAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000262030422 371806409 /nfs/dbraw/zinc/80/64/09/371806409.db2.gz XLMRWFINGUEPLQ-ZNMIVQPWSA-N 2 1 280.437 2.303 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000563445929 377228086 /nfs/dbraw/zinc/22/80/86/377228086.db2.gz PSRHSVAXFMJQHB-GJZGRUSLSA-N 3 1 267.461 2.229 10 0 CEAEMP CO[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189696 395161865 /nfs/dbraw/zinc/16/18/65/395161865.db2.gz IHIAWLZKSJYLFI-HOTGVXAUSA-N 2 1 262.397 2.448 10 0 CEAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)[C@@H](C)CC)C12CCOCC2 ZINC000249031055 286281226 /nfs/dbraw/zinc/28/12/26/286281226.db2.gz SLZBXNYFYQNUDG-ARFHVFGLSA-N 2 1 298.471 2.281 10 0 CEAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)[C@@H](C)CC)C12CCOCC2 ZINC000249031055 286281229 /nfs/dbraw/zinc/28/12/29/286281229.db2.gz SLZBXNYFYQNUDG-ARFHVFGLSA-N 2 1 298.471 2.281 10 0 CEAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)[C@H](C)CC)C12CCOCC2 ZINC000249031057 286281415 /nfs/dbraw/zinc/28/14/15/286281415.db2.gz SLZBXNYFYQNUDG-BZUAXINKSA-N 2 1 298.471 2.281 10 0 CEAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)[C@H](C)CC)C12CCOCC2 ZINC000249031057 286281416 /nfs/dbraw/zinc/28/14/16/286281416.db2.gz SLZBXNYFYQNUDG-BZUAXINKSA-N 2 1 298.471 2.281 10 0 CEAEMP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000228496729 153364010 /nfs/dbraw/zinc/36/40/10/153364010.db2.gz XNWCMJLZKCQAGH-YESZJQIVSA-N 2 1 280.456 2.488 10 0 CEAEMP CCCN(c1cc[nH+]cc1Br)[C@@H]1CC[NH2+]C1 ZINC000159899712 162318896 /nfs/dbraw/zinc/31/88/96/162318896.db2.gz HMJFYDCOTLXIMF-SNVBAGLBSA-N 2 1 284.201 2.422 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000177024142 165186039 /nfs/dbraw/zinc/18/60/39/165186039.db2.gz WHZLLCWFNSVMDB-CVEARBPZSA-N 2 1 295.471 2.194 10 0 CEAEMP CCCCN(CC)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524105 171237455 /nfs/dbraw/zinc/23/74/55/171237455.db2.gz IUNVGEJJVAJYHI-YIONKMFJSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209991 173031674 /nfs/dbraw/zinc/03/16/74/173031674.db2.gz QZVWEXSRUGVTOC-HUUCEWRRSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037209991 173031675 /nfs/dbraw/zinc/03/16/75/173031675.db2.gz QZVWEXSRUGVTOC-HUUCEWRRSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209991 173031676 /nfs/dbraw/zinc/03/16/76/173031676.db2.gz QZVWEXSRUGVTOC-HUUCEWRRSA-N 3 1 255.450 2.038 10 0 CEAEMP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000037209989 173031926 /nfs/dbraw/zinc/03/19/26/173031926.db2.gz WKJPIFAVUBCQDL-HZPDHXFCSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000037209989 173031927 /nfs/dbraw/zinc/03/19/27/173031927.db2.gz WKJPIFAVUBCQDL-HZPDHXFCSA-N 3 1 269.477 2.428 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000037209989 173031930 /nfs/dbraw/zinc/03/19/30/173031930.db2.gz WKJPIFAVUBCQDL-HZPDHXFCSA-N 3 1 269.477 2.428 10 0 CEAEMP COC(=O)CCC[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669228 174368014 /nfs/dbraw/zinc/36/80/14/174368014.db2.gz DZQKXNUTBWKNDQ-HIFRSBDPSA-N 2 1 270.417 2.040 10 0 CEAEMP CCN(c1cc(C)[nH+]c(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748741 174394027 /nfs/dbraw/zinc/39/40/27/174394027.db2.gz ZFHRECXRZJOLQW-PBWFPOADSA-N 2 1 260.385 2.203 10 0 CEAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000050953914 414747980 /nfs/dbraw/zinc/74/79/80/414747980.db2.gz IEFXGTQNGPUAPD-HZPDHXFCSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[C@H]([NH3+])[C@H](N1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000043378322 175030471 /nfs/dbraw/zinc/03/04/71/175030471.db2.gz LDJMGDXAMDFNEF-QWRGUYRKSA-N 2 1 281.366 2.071 10 0 CEAEMP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818304 175112960 /nfs/dbraw/zinc/11/29/60/175112960.db2.gz ZQCAMCNAHSJPHR-NVXWUHKLSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000043818239 175113313 /nfs/dbraw/zinc/11/33/13/175113313.db2.gz CRUHXEXWLMSRTL-IRXDYDNUSA-N 2 1 275.440 2.363 10 0 CEAEMP CCC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000043818502 175113424 /nfs/dbraw/zinc/11/34/24/175113424.db2.gz AGKWGAYSWDSZDS-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)CCC)OCCO2 ZINC000043884808 175116415 /nfs/dbraw/zinc/11/64/15/175116415.db2.gz BOQNLWISDCUAJQ-CABCVRRESA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)CCC)OCCO2 ZINC000043884808 175116417 /nfs/dbraw/zinc/11/64/17/175116417.db2.gz BOQNLWISDCUAJQ-CABCVRRESA-N 2 1 284.444 2.382 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043914921 175124391 /nfs/dbraw/zinc/12/43/91/175124391.db2.gz UTTXYVNSXDODAI-LSDHHAIUSA-N 2 1 284.444 2.238 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043914921 175124393 /nfs/dbraw/zinc/12/43/93/175124393.db2.gz UTTXYVNSXDODAI-LSDHHAIUSA-N 2 1 284.444 2.238 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000044805814 175256634 /nfs/dbraw/zinc/25/66/34/175256634.db2.gz KHTHZCDTHPUUSW-AWEZNQCLSA-N 2 1 283.460 2.132 10 0 CEAEMP NCC1([N@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000045071046 175301074 /nfs/dbraw/zinc/30/10/74/175301074.db2.gz LOCFWORVGIMGCN-CQSZACIVSA-N 2 1 252.402 2.149 10 0 CEAEMP CCCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135064 175312781 /nfs/dbraw/zinc/31/27/81/175312781.db2.gz WLKYMAHIXZXSOA-CABCVRRESA-N 2 1 283.460 2.001 10 0 CEAEMP CCCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045135064 175312782 /nfs/dbraw/zinc/31/27/82/175312782.db2.gz WLKYMAHIXZXSOA-CABCVRRESA-N 2 1 283.460 2.001 10 0 CEAEMP CCC[NH2+]C1CCN(C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000045135355 175313014 /nfs/dbraw/zinc/31/30/14/175313014.db2.gz GJZOWKULQFVJAW-OAHLLOKOSA-N 2 1 267.461 2.181 10 0 CEAEMP CCCC[NH+](CCCC)CC[C@@](C)([NH2+]CC)C(N)=O ZINC000045263339 175337611 /nfs/dbraw/zinc/33/76/11/175337611.db2.gz YNYIQGLBRQSWSB-OAHLLOKOSA-N 2 1 271.449 2.132 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045370763 175364218 /nfs/dbraw/zinc/36/42/18/175364218.db2.gz CAFOQOVHUKBATP-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C)C(N)=O)C1CCCCC1 ZINC000045372320 175365139 /nfs/dbraw/zinc/36/51/39/175365139.db2.gz LPJKLVIBDQFXKS-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP COC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045377999 175367535 /nfs/dbraw/zinc/36/75/35/175367535.db2.gz KWYSBBWDAULYNX-OAHLLOKOSA-N 2 1 272.433 2.427 10 0 CEAEMP COC(=O)[C@@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045377999 175367537 /nfs/dbraw/zinc/36/75/37/175367537.db2.gz KWYSBBWDAULYNX-OAHLLOKOSA-N 2 1 272.433 2.427 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1CCc2ccccc2C1 ZINC000045378757 175368338 /nfs/dbraw/zinc/36/83/38/175368338.db2.gz LHTNFMKHPIHDPW-KRWDZBQOSA-N 2 1 290.407 2.105 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@H+]1CCc2ccccc2C1 ZINC000045378757 175368339 /nfs/dbraw/zinc/36/83/39/175368339.db2.gz LHTNFMKHPIHDPW-KRWDZBQOSA-N 2 1 290.407 2.105 10 0 CEAEMP C[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045379100 175368716 /nfs/dbraw/zinc/36/87/16/175368716.db2.gz QCUYFHPSRRKFCR-KRWDZBQOSA-N 2 1 295.471 2.417 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OC)CC(C)C ZINC000045381663 175369926 /nfs/dbraw/zinc/36/99/26/175369926.db2.gz WDUOHMQVLWIDGM-CQSZACIVSA-N 2 1 258.406 2.025 10 0 CEAEMP CCC[N@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045382359 175370945 /nfs/dbraw/zinc/37/09/45/175370945.db2.gz DMXWEDKHRVAPSK-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045382359 175370948 /nfs/dbraw/zinc/37/09/48/175370948.db2.gz DMXWEDKHRVAPSK-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383380 175371136 /nfs/dbraw/zinc/37/11/36/175371136.db2.gz LXZXYYMFGYYWRW-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383380 175371138 /nfs/dbraw/zinc/37/11/38/175371138.db2.gz LXZXYYMFGYYWRW-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CC(C)C[NH+](CC(C)C)C[C@](O)(C[NH3+])c1ccccc1 ZINC000070521404 175966490 /nfs/dbraw/zinc/96/64/90/175966490.db2.gz UEGNCKDOOCPMRF-QGZVFWFLSA-N 2 1 278.440 2.447 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000070941108 176014465 /nfs/dbraw/zinc/01/44/65/176014465.db2.gz BBFJUPCBRAPRSA-HZPDHXFCSA-N 2 1 290.407 2.147 10 0 CEAEMP CC[C@@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071124903 176034996 /nfs/dbraw/zinc/03/49/96/176034996.db2.gz VPJWFKMYOKBSKO-OAGGEKHMSA-N 2 1 267.461 2.168 10 0 CEAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071187910 176061176 /nfs/dbraw/zinc/06/11/76/176061176.db2.gz JQYAHXUVHKKJRQ-BFYDXBDKSA-N 2 1 275.440 2.267 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188051 176061381 /nfs/dbraw/zinc/06/13/81/176061381.db2.gz VVUILDJMKJJWFB-BZPMIXESSA-N 2 1 267.442 2.020 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187890 176061893 /nfs/dbraw/zinc/06/18/93/176061893.db2.gz RECVWYGWRZSUPG-SNPRPXQTSA-N 2 1 281.469 2.410 10 0 CEAEMP Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188356 176062610 /nfs/dbraw/zinc/06/26/10/176062610.db2.gz IEEMEGRUDWEBFS-CZUORRHYSA-N 2 1 279.403 2.017 10 0 CEAEMP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188898 176063446 /nfs/dbraw/zinc/06/34/46/176063446.db2.gz OEKZEAXZMKUDGY-WCXIOVBPSA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188893 176063816 /nfs/dbraw/zinc/06/38/16/176063816.db2.gz QEEHYHXHMLUPEX-OLMNPRSZSA-N 2 1 287.451 2.145 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189043 176064709 /nfs/dbraw/zinc/06/47/09/176064709.db2.gz QWZBNEVUBYEZBI-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC000071191263 176069290 /nfs/dbraw/zinc/06/92/90/176069290.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 2 1 293.430 2.360 10 0 CEAEMP CC[C@@H]1CC[C@H](O)[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191574 176069479 /nfs/dbraw/zinc/06/94/79/176069479.db2.gz LZCCWNBOTMBXQM-WCVJEAGWSA-N 2 1 268.445 2.057 10 0 CEAEMP CC[C@@H]1CC[C@H](O)[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071191574 176069480 /nfs/dbraw/zinc/06/94/80/176069480.db2.gz LZCCWNBOTMBXQM-WCVJEAGWSA-N 2 1 268.445 2.057 10 0 CEAEMP CC[C@@H]1CC[C@H](O)[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071191574 176069482 /nfs/dbraw/zinc/06/94/82/176069482.db2.gz LZCCWNBOTMBXQM-WCVJEAGWSA-N 2 1 268.445 2.057 10 0 CEAEMP CC(C)C[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@@H+](C)C2)nc1 ZINC000071191671 176072312 /nfs/dbraw/zinc/07/23/12/176072312.db2.gz PTJLJLTXPCYDPR-INIZCTEOSA-N 2 1 290.455 2.215 10 0 CEAEMP CCC(CC)[N@@H+](CCO)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267878 176101562 /nfs/dbraw/zinc/10/15/62/176101562.db2.gz UJISUNPJQFODGL-UHFFFAOYSA-N 2 1 281.375 2.093 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)CCN1CCCC1 ZINC000071290037 176110271 /nfs/dbraw/zinc/11/02/71/176110271.db2.gz QTQOHSOLNCVXSU-UHFFFAOYSA-N 2 1 255.450 2.184 10 0 CEAEMP CC[NH2+]CCCCCCN(C)CC[NH+]1CCCC1 ZINC000071290037 176110273 /nfs/dbraw/zinc/11/02/73/176110273.db2.gz QTQOHSOLNCVXSU-UHFFFAOYSA-N 2 1 255.450 2.184 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCCCC[NH2+]C2CC2)CCCO1 ZINC000071289844 176110670 /nfs/dbraw/zinc/11/06/70/176110670.db2.gz BNJVASYSUHHLOQ-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@@H+](C)C1CCCC1 ZINC000071379316 176143730 /nfs/dbraw/zinc/14/37/30/176143730.db2.gz FSVSOMJLWCQJSW-ZXFUBFMLSA-N 2 1 279.472 2.466 10 0 CEAEMP Brc1c[nH+]ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261593417 275377712 /nfs/dbraw/zinc/37/77/12/275377712.db2.gz WUKDELZQTXVSNA-MWLCHTKSSA-N 2 1 282.185 2.032 10 0 CEAEMP CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249393715 280395468 /nfs/dbraw/zinc/39/54/68/280395468.db2.gz RIYMBXMIWBPCFY-YCPHGPKFSA-N 2 1 268.445 2.390 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1C ZINC000401859243 289288993 /nfs/dbraw/zinc/28/89/93/289288993.db2.gz WYFYJXYVTNTRDZ-NSHDSACASA-N 2 1 275.400 2.147 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516272849 313086211 /nfs/dbraw/zinc/08/62/11/313086211.db2.gz MZURLLMHXHEIDL-SOLBZPMBSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516272849 313086215 /nfs/dbraw/zinc/08/62/15/313086215.db2.gz MZURLLMHXHEIDL-SOLBZPMBSA-N 2 1 289.467 2.485 10 0 CEAEMP C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)[NH2+]C1CCOCC1 ZINC000062767717 518388765 /nfs/dbraw/zinc/38/87/65/518388765.db2.gz LZMPPGQORBDFNA-GOEBONIOSA-N 2 1 266.429 2.410 10 0 CEAEMP C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)[NH2+]C1CCOCC1 ZINC000062767717 518388770 /nfs/dbraw/zinc/38/87/70/518388770.db2.gz LZMPPGQORBDFNA-GOEBONIOSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[NH2+]CCC[C@H](C)[NH+]1CCN([C@H](C)CC)CC1 ZINC000055074316 519919809 /nfs/dbraw/zinc/91/98/09/519919809.db2.gz UVTPABQZARKEDQ-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571929 519963404 /nfs/dbraw/zinc/96/34/04/519963404.db2.gz FJERPSSNXGKSCW-CQSZACIVSA-N 2 1 281.448 2.144 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](CC)CCOC)c1 ZINC000052542654 520003747 /nfs/dbraw/zinc/00/37/47/520003747.db2.gz FPURHQINXRLHCG-UHFFFAOYSA-N 2 1 250.386 2.264 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@H+](CCN(C)C)CC(C)C)c1 ZINC000052503357 520017021 /nfs/dbraw/zinc/01/70/21/520017021.db2.gz NZFLROCAONRVPN-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+](CCN(C)C)CC(C)C)c1 ZINC000052503357 520017027 /nfs/dbraw/zinc/01/70/27/520017027.db2.gz NZFLROCAONRVPN-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CC[NH2+][C@H](C)CCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055065140 520172952 /nfs/dbraw/zinc/17/29/52/520172952.db2.gz OTHUSOVLCCPTRX-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CC[N@@H+](CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052181256 520938085 /nfs/dbraw/zinc/93/80/85/520938085.db2.gz GZQMAJLYJYVMKL-UHFFFAOYSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC(CC)(C[NH2+]CC(C)C)C[N@H+]1CC[C@H](O)C1 ZINC000061711753 521438746 /nfs/dbraw/zinc/43/87/46/521438746.db2.gz YFBYLZJTXNIAHM-AWEZNQCLSA-N 2 1 256.434 2.105 10 0 CEAEMP CCN1CCC([N@@H+](C)CCCC[NH2+]CC(C)C)CC1 ZINC000052543938 521562667 /nfs/dbraw/zinc/56/26/67/521562667.db2.gz LAHLTSVQMDDYBX-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)CCCC[NH2+]CC(C)C)CC1 ZINC000052543938 521562677 /nfs/dbraw/zinc/56/26/77/521562677.db2.gz LAHLTSVQMDDYBX-UHFFFAOYSA-N 3 1 269.477 2.428 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)CCCC[NH2+]CC(C)C)CC1 ZINC000052543938 521562686 /nfs/dbraw/zinc/56/26/86/521562686.db2.gz LAHLTSVQMDDYBX-UHFFFAOYSA-N 3 1 269.477 2.428 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183183 519719604 /nfs/dbraw/zinc/71/96/04/519719604.db2.gz OTKAXDGYEQQVLN-UHFFFAOYSA-N 2 1 298.471 2.018 10 0 CEAEMP CC(C)[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417299 519724269 /nfs/dbraw/zinc/72/42/69/519724269.db2.gz RPWNDODFGBCQFJ-INIZCTEOSA-N 2 1 275.440 2.443 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCC[C@H]1CN(C)C ZINC000061654660 519743420 /nfs/dbraw/zinc/74/34/20/519743420.db2.gz JYMUSLVPWKDAHA-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674923 519744932 /nfs/dbraw/zinc/74/49/32/519744932.db2.gz NQBASHORWMBTNM-HNNXBMFYSA-N 2 1 290.407 2.483 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674923 519744934 /nfs/dbraw/zinc/74/49/34/519744934.db2.gz NQBASHORWMBTNM-HNNXBMFYSA-N 2 1 290.407 2.483 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cn1ccnc1 ZINC000054629518 519908865 /nfs/dbraw/zinc/90/88/65/519908865.db2.gz XBEDFMGGPDFNFN-HNSVSWJLSA-N 2 1 276.428 2.267 10 0 CEAEMP CCC[NH2+]CCCCC[N@@H+](C)C1CCN(C)CC1 ZINC000052419894 519911832 /nfs/dbraw/zinc/91/18/32/519911832.db2.gz RYWWITJJRBECDT-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419894 519911835 /nfs/dbraw/zinc/91/18/35/519911835.db2.gz RYWWITJJRBECDT-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419894 519911839 /nfs/dbraw/zinc/91/18/39/519911839.db2.gz RYWWITJJRBECDT-UHFFFAOYSA-N 3 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]CCCCC[N@@H+](CCOC)[C@H](C)COC ZINC000052572414 519911894 /nfs/dbraw/zinc/91/18/94/519911894.db2.gz LOVHHWNBLXVAGR-OAHLLOKOSA-N 2 1 274.449 2.140 10 0 CEAEMP CC[NH2+]CC(CC)(CC)C[N@@H+]1CCC[C@H]1CN(C)C ZINC000061653547 519912042 /nfs/dbraw/zinc/91/20/42/519912042.db2.gz DGQREXKHLIDLMG-HNNXBMFYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1CCC[C@H]1CN(C)C ZINC000061653547 519912044 /nfs/dbraw/zinc/91/20/44/519912044.db2.gz DGQREXKHLIDLMG-HNNXBMFYSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[NH2+]CC[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515490 519918781 /nfs/dbraw/zinc/91/87/81/519918781.db2.gz MHBIKDSGKUNNMC-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674928 519935764 /nfs/dbraw/zinc/93/57/64/519935764.db2.gz SFPWRSFCNTVVQB-CQSZACIVSA-N 2 1 276.380 2.237 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674928 519935774 /nfs/dbraw/zinc/93/57/74/519935774.db2.gz SFPWRSFCNTVVQB-CQSZACIVSA-N 2 1 276.380 2.237 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CCN(C)C)CC(C)C)O1 ZINC000052503398 519936221 /nfs/dbraw/zinc/93/62/21/519936221.db2.gz XPWMOROSVVDUIK-SJORKVTESA-N 2 1 299.503 2.053 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](CN(CC[NH+](C)C)CC(C)C)O1 ZINC000052503398 519936229 /nfs/dbraw/zinc/93/62/29/519936229.db2.gz XPWMOROSVVDUIK-SJORKVTESA-N 2 1 299.503 2.053 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+](CC)[C@@H](C)COC)on1 ZINC000052504845 519944894 /nfs/dbraw/zinc/94/48/94/519944894.db2.gz RMNPNZYWCIWABE-LBPRGKRZSA-N 2 1 269.389 2.031 10 0 CEAEMP CCC[NH2+]Cc1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000052424339 519947636 /nfs/dbraw/zinc/94/76/36/519947636.db2.gz LCJDCDDNSPBRKA-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000052424339 519947648 /nfs/dbraw/zinc/94/76/48/519947648.db2.gz LCJDCDDNSPBRKA-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000052424339 519947656 /nfs/dbraw/zinc/94/76/56/519947656.db2.gz LCJDCDDNSPBRKA-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000052476658 519996705 /nfs/dbraw/zinc/99/67/05/519996705.db2.gz NYJHDJNLOCJHFI-KBPBESRZSA-N 2 1 262.397 2.405 10 0 CEAEMP CCC[NH2+][C@H](CN(C)[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000053245018 520080686 /nfs/dbraw/zinc/08/06/86/520080686.db2.gz BZAMQJZIORWEJO-HUUCEWRRSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000069549205 520106335 /nfs/dbraw/zinc/10/63/35/520106335.db2.gz PBJILAULYYYLMY-GOEBONIOSA-N 2 1 283.460 2.275 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000054554796 520217893 /nfs/dbraw/zinc/21/78/93/520217893.db2.gz NUUAFNNKODKQGB-IKGGRYGDSA-N 2 1 281.488 2.427 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc(CC)cc1 ZINC000062739589 520308685 /nfs/dbraw/zinc/30/86/85/520308685.db2.gz KHVMMBJWIPQJAT-HNNXBMFYSA-N 2 1 250.386 2.045 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+]([C@@H](C[NH2+]C2CC2)C(C)C)C1 ZINC000052372057 520322695 /nfs/dbraw/zinc/32/26/95/520322695.db2.gz CIXKQLNERVEAIZ-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CCO[C@@H]1CCC[N@H+]([C@@H](C[NH2+]C2CC2)C(C)C)C1 ZINC000052372057 520322703 /nfs/dbraw/zinc/32/27/03/520322703.db2.gz CIXKQLNERVEAIZ-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CC1(C)COCC[N@@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023222 520506682 /nfs/dbraw/zinc/50/66/82/520506682.db2.gz UJLZZVQAFKXDMW-ZDUSSCGKSA-N 2 1 261.369 2.165 10 0 CEAEMP CC1(C)COCC[N@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023222 520506687 /nfs/dbraw/zinc/50/66/87/520506687.db2.gz UJLZZVQAFKXDMW-ZDUSSCGKSA-N 2 1 261.369 2.165 10 0 CEAEMP CC[N@@H+](CC1(C[NH2+]C2CC2)CCOCC1)C(C)C ZINC000052181320 520938249 /nfs/dbraw/zinc/93/82/49/520938249.db2.gz CPDXGBIKJHPSRT-UHFFFAOYSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C[NH2+]C(C)C)C2)CC1 ZINC000053033635 521549569 /nfs/dbraw/zinc/54/95/69/521549569.db2.gz DSCOVYFAQAIKAY-MRXNPFEDSA-N 3 1 267.461 2.038 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCC(C)C ZINC000054629546 521955586 /nfs/dbraw/zinc/95/55/86/521955586.db2.gz NERHUVMFNRLZTC-GOOCMWNKSA-N 2 1 254.418 2.264 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1 ZINC000054628706 521955756 /nfs/dbraw/zinc/95/57/56/521955756.db2.gz QHFDJDORFYEJLI-GOOCMWNKSA-N 2 1 260.381 2.280 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1ccoc1C[NH2+]C ZINC000052547307 522091233 /nfs/dbraw/zinc/09/12/33/522091233.db2.gz UDIJHLGTIVLSSW-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346219 522095825 /nfs/dbraw/zinc/09/58/25/522095825.db2.gz YILZUWGIVYZMAW-HUUCEWRRSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](CCOC)CC(C)C)oc1C ZINC000052508506 522107848 /nfs/dbraw/zinc/10/78/48/522107848.db2.gz YHFQLSFXRCAUAY-UHFFFAOYSA-N 2 1 268.401 2.412 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000052540245 522123032 /nfs/dbraw/zinc/12/30/32/522123032.db2.gz AMQTWPGGRRCBSA-IRXDYDNUSA-N 2 1 290.407 2.038 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000052540245 522123040 /nfs/dbraw/zinc/12/30/40/522123040.db2.gz AMQTWPGGRRCBSA-IRXDYDNUSA-N 2 1 290.407 2.038 10 0 CEAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543837 522140400 /nfs/dbraw/zinc/14/04/00/522140400.db2.gz PMZICNWNTFXMDC-DZGCQCFKSA-N 2 1 260.381 2.269 10 0 CEAEMP C[NH2+]Cc1sc2ccccc2c1C[NH+]1CCN(C)CC1 ZINC000052379196 522168619 /nfs/dbraw/zinc/16/86/19/522168619.db2.gz OEEIDZKQQXSHRN-UHFFFAOYSA-N 2 1 289.448 2.368 10 0 CEAEMP C[NH2+][C@H]1CCc2c1cccc2OCCn1cc[nH+]c1C ZINC000062798908 522505160 /nfs/dbraw/zinc/50/51/60/522505160.db2.gz MROPXUNOMNQUII-HNNXBMFYSA-N 2 1 271.364 2.477 10 0 CEAEMP COc1cc2c(cc1OC)C[N@H+](C1CCC([NH3+])CC1)CC2 ZINC000055144260 523030747 /nfs/dbraw/zinc/03/07/47/523030747.db2.gz ARYRTJGNYWCHPI-UHFFFAOYSA-N 2 1 290.407 2.332 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052543332 523257303 /nfs/dbraw/zinc/25/73/03/523257303.db2.gz GEZPVSOEYCCHJD-CQSZACIVSA-N 2 1 274.449 2.138 10 0 CEAEMP CC[C@@]1(C)C[NH2+]CCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068696189 523718763 /nfs/dbraw/zinc/71/87/63/523718763.db2.gz FRPAAADBGHQAQQ-INIZCTEOSA-N 2 1 277.412 2.281 10 0 CEAEMP COCC[NH+](CCOC)Cc1occc1C[NH2+]CC(C)C ZINC000052571390 523722425 /nfs/dbraw/zinc/72/24/25/523722425.db2.gz NBRSMIWTVIECEH-UHFFFAOYSA-N 2 1 298.427 2.120 10 0 CEAEMP COCC[N@@H+](Cc1ccoc1C[NH2+]C(C)C)C1CC1 ZINC000052542434 523771028 /nfs/dbraw/zinc/77/10/28/523771028.db2.gz KNLRLFQNTGAERM-UHFFFAOYSA-N 2 1 266.385 2.388 10 0 CEAEMP C[NH+]1CCN(Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052379420 523909371 /nfs/dbraw/zinc/90/93/71/523909371.db2.gz HGMOFWRJSOCZEV-UHFFFAOYSA-N 2 1 275.421 2.107 10 0 CEAEMP Cc1cccc(C[N@H+](C)CC2(C[NH3+])CCOCC2)c1 ZINC000052198209 524375300 /nfs/dbraw/zinc/37/53/00/524375300.db2.gz BDWNSJDQZJSSDK-UHFFFAOYSA-N 2 1 262.397 2.182 10 0 CEAEMP C[C@@H](CC[NH2+]C(C)(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515502 524496289 /nfs/dbraw/zinc/49/62/89/524496289.db2.gz HOWTURXNSSXHJC-AWEZNQCLSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052476049 524721491 /nfs/dbraw/zinc/72/14/91/524721491.db2.gz ATYGUMCMUUXVBH-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H]1COCC[N@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052476049 524721501 /nfs/dbraw/zinc/72/15/01/524721501.db2.gz ATYGUMCMUUXVBH-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H](C1CC1)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181788 526204903 /nfs/dbraw/zinc/20/49/03/526204903.db2.gz BYTYCCLOTIFYAT-CYBMUJFWSA-N 2 1 266.429 2.266 10 0 CEAEMP Cc1oc(C[N@@H+](CCN(C)C)CC(C)C)cc1C[NH3+] ZINC000052503325 526768757 /nfs/dbraw/zinc/76/87/57/526768757.db2.gz OAUWJRYPIFTLBU-UHFFFAOYSA-N 2 1 267.417 2.066 10 0 CEAEMP Cc1oc(C[N@H+](CCN(C)C)CC(C)C)cc1C[NH3+] ZINC000052503325 526768759 /nfs/dbraw/zinc/76/87/59/526768759.db2.gz OAUWJRYPIFTLBU-UHFFFAOYSA-N 2 1 267.417 2.066 10 0 CEAEMP [NH3+]CCC[N@H+](Cc1ncccn1)C1CCCCCC1 ZINC000054458613 527179248 /nfs/dbraw/zinc/17/92/48/527179248.db2.gz BVEDIEIDKBQZDJ-UHFFFAOYSA-N 2 1 262.401 2.350 10 0 CEAEMP [NH3+]CCC[N@@H+](Cc1ncccn1)C1CCCCCC1 ZINC000054458613 527179253 /nfs/dbraw/zinc/17/92/53/527179253.db2.gz BVEDIEIDKBQZDJ-UHFFFAOYSA-N 2 1 262.401 2.350 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@@H]12 ZINC000312652278 628360628 /nfs/dbraw/zinc/36/06/28/628360628.db2.gz FXGZAMIRLUZIPB-KBRIMQKVSA-N 2 1 267.376 2.404 10 0 CEAEMP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(C)cc1 ZINC000399018733 628769003 /nfs/dbraw/zinc/76/90/03/628769003.db2.gz GSNXSHPUADUYNA-KRWDZBQOSA-N 2 1 276.424 2.492 10 0 CEAEMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399245592 628787692 /nfs/dbraw/zinc/78/76/92/628787692.db2.gz JZUYOMDBPLFZGI-OIISXLGYSA-N 2 1 282.472 2.494 10 0 CEAEMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261564033 628938908 /nfs/dbraw/zinc/93/89/08/628938908.db2.gz CEUMRPKTQCSROY-ZFWWWQNUSA-N 2 1 262.397 2.255 10 0 CEAEMP c1ccc(C[N@@H+]2CCCC[C@@H](CN[C@H]3CC[NH2+]C3)C2)cc1 ZINC000261560401 628939140 /nfs/dbraw/zinc/93/91/40/628939140.db2.gz ZWIQATSHKBIPIQ-ROUUACIJSA-N 2 1 287.451 2.240 10 0 CEAEMP Cc1[nH+]ccn1CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000125424934 187184001 /nfs/dbraw/zinc/18/40/01/187184001.db2.gz IGBIWSZPXMZZRB-STQMWFEESA-N 2 1 251.374 2.081 10 0 CEAEMP Cc1ccc([C@H](O)C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623923 344756269 /nfs/dbraw/zinc/75/62/69/344756269.db2.gz CDMJPUBARHXIKJ-NVXWUHKLSA-N 2 1 299.418 2.419 10 0 CEAEMP Cc1ccc([C@H](O)C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000328623923 344756272 /nfs/dbraw/zinc/75/62/72/344756272.db2.gz CDMJPUBARHXIKJ-NVXWUHKLSA-N 2 1 299.418 2.419 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]12 ZINC000381839653 344825373 /nfs/dbraw/zinc/82/53/73/344825373.db2.gz JSQVPIKDTDGGRV-APHBMKBZSA-N 2 1 267.376 2.404 10 0 CEAEMP C[N@@H+](CCCNC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054308280 362526686 /nfs/dbraw/zinc/52/66/86/362526686.db2.gz QXPOEHLDLIOVRI-OAHLLOKOSA-N 2 1 295.471 2.147 10 0 CEAEMP C[C@H](C[C@](C)(O)C[NH3+])[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300945 179010044 /nfs/dbraw/zinc/01/00/44/179010044.db2.gz DJNFVFPUQHEXLC-YUELXQCFSA-N 2 1 254.418 2.129 10 0 CEAEMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000085369560 179039169 /nfs/dbraw/zinc/03/91/69/179039169.db2.gz NNRNLJXMAIBOOS-CVEARBPZSA-N 2 1 295.471 2.275 10 0 CEAEMP CC(C)N(C)C(=O)C[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403745 179052970 /nfs/dbraw/zinc/05/29/70/179052970.db2.gz ASLQGSRYHZMELY-INIZCTEOSA-N 2 1 295.471 2.097 10 0 CEAEMP C[C@@H](C[NH3+])c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000097806333 185670814 /nfs/dbraw/zinc/67/08/14/185670814.db2.gz KLFRBYDROJSTOF-WMLDXEAASA-N 2 1 273.424 2.029 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085510335 179086013 /nfs/dbraw/zinc/08/60/13/179086013.db2.gz LSTCYUHNPPGNTL-CVEARBPZSA-N 2 1 276.428 2.044 10 0 CEAEMP CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085523433 179088473 /nfs/dbraw/zinc/08/84/73/179088473.db2.gz XWTZZHQBEYXSOP-CVEARBPZSA-N 2 1 276.428 2.044 10 0 CEAEMP CC[C@@]1(C)CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000085496405 179083671 /nfs/dbraw/zinc/08/36/71/179083671.db2.gz NNFABEHAWBLIGG-HNNXBMFYSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085528383 179090806 /nfs/dbraw/zinc/09/08/06/179090806.db2.gz LLNIPHUWXVEOOW-HOTGVXAUSA-N 2 1 276.428 2.044 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1Cc1ccccn1 ZINC000085623688 179106671 /nfs/dbraw/zinc/10/66/71/179106671.db2.gz MAHZFLRFMAHVOC-CJNGLKHVSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1Cc1ccccn1 ZINC000085623688 179106672 /nfs/dbraw/zinc/10/66/72/179106672.db2.gz MAHZFLRFMAHVOC-CJNGLKHVSA-N 2 1 259.397 2.434 10 0 CEAEMP COc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000085616591 179103738 /nfs/dbraw/zinc/10/37/38/179103738.db2.gz ZLPFPASUBJSYKU-MRXNPFEDSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1cccc(C[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000085616591 179103740 /nfs/dbraw/zinc/10/37/40/179103740.db2.gz ZLPFPASUBJSYKU-MRXNPFEDSA-N 2 1 260.381 2.269 10 0 CEAEMP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638439 179109946 /nfs/dbraw/zinc/10/99/46/179109946.db2.gz KCLLUAVSWAULCP-KFWWJZLASA-N 2 1 266.429 2.264 10 0 CEAEMP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638439 179109947 /nfs/dbraw/zinc/10/99/47/179109947.db2.gz KCLLUAVSWAULCP-KFWWJZLASA-N 2 1 266.429 2.264 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086172521 179245117 /nfs/dbraw/zinc/24/51/17/179245117.db2.gz QGASANBRWDEDOY-OAGGEKHMSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086174198 179245332 /nfs/dbraw/zinc/24/53/32/179245332.db2.gz HNJPMEFIZDFMGB-XHSDSOJGSA-N 2 1 267.461 2.035 10 0 CEAEMP CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086174278 179245580 /nfs/dbraw/zinc/24/55/80/179245580.db2.gz DWEYKGVHHLCIQN-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1CN[C@H](C(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086174278 179245581 /nfs/dbraw/zinc/24/55/81/179245581.db2.gz DWEYKGVHHLCIQN-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177559 179246695 /nfs/dbraw/zinc/24/66/95/179246695.db2.gz GDUUOQJGNZUUEL-IAGOWNOFSA-N 2 1 273.424 2.117 10 0 CEAEMP C[N@H+]1CCC[C@@H](CN2CC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086145746 179239146 /nfs/dbraw/zinc/23/91/46/179239146.db2.gz JBQKDJPNUOPXAF-AEFFLSMTSA-N 2 1 287.451 2.149 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223019 179250488 /nfs/dbraw/zinc/25/04/88/179250488.db2.gz NDESTCBSEFKPDJ-DJIMGWMZSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223033 179250929 /nfs/dbraw/zinc/25/09/29/179250929.db2.gz OBNNTZZJWGASKE-PMPSAXMXSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223180 179252166 /nfs/dbraw/zinc/25/21/66/179252166.db2.gz ACMYABMKFUEBPO-CVEARBPZSA-N 2 1 279.472 2.181 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223958 179253304 /nfs/dbraw/zinc/25/33/04/179253304.db2.gz HMRFOEJLMKOTKM-DJIMGWMZSA-N 2 1 279.472 2.323 10 0 CEAEMP C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223950 179253333 /nfs/dbraw/zinc/25/33/33/179253333.db2.gz ZFZXVBZHJINOMN-HUUCEWRRSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225396 179253943 /nfs/dbraw/zinc/25/39/43/179253943.db2.gz RVKASVJOFZVBDT-GVDBMIGSSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259278 179257742 /nfs/dbraw/zinc/25/77/42/179257742.db2.gz GPWJOCOWKYWPGZ-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259264 179257935 /nfs/dbraw/zinc/25/79/35/179257935.db2.gz NMODZGHGFFQCMW-RRFJBIMHSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259207 179258547 /nfs/dbraw/zinc/25/85/47/179258547.db2.gz ZFLSCRZRLAVYLQ-NJAFHUGGSA-N 2 1 293.499 2.427 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CC3(CCCC3)NC[C@H]2C)CC1 ZINC000086259176 179258682 /nfs/dbraw/zinc/25/86/82/179258682.db2.gz RSLCPQBEDIJJCL-OAHLLOKOSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[NH+]1CCC(CN2CC3(CCCC3)[NH2+]C[C@H]2C)CC1 ZINC000086259176 179258683 /nfs/dbraw/zinc/25/86/83/179258683.db2.gz RSLCPQBEDIJJCL-OAHLLOKOSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CCCC[NH+](C)C ZINC000086261079 179260267 /nfs/dbraw/zinc/26/02/67/179260267.db2.gz XVEIEQMMYQTHJD-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1CCCC[NH+](C)C ZINC000086261079 179260272 /nfs/dbraw/zinc/26/02/72/179260272.db2.gz XVEIEQMMYQTHJD-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CC[C@H]1C[N@H+](CCc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000086269753 179262482 /nfs/dbraw/zinc/26/24/82/179262482.db2.gz WINWXAOLNQSFOP-HNNXBMFYSA-N 2 1 292.423 2.320 10 0 CEAEMP CC[C@H]1C[N@@H+](CCc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000086269753 179262484 /nfs/dbraw/zinc/26/24/84/179262484.db2.gz WINWXAOLNQSFOP-HNNXBMFYSA-N 2 1 292.423 2.320 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291373 179265593 /nfs/dbraw/zinc/26/55/93/179265593.db2.gz WWQGWETVOVRNCY-QLFBSQMISA-N 2 1 254.418 2.266 10 0 CEAEMP C1CCC([C@@H]2C[N@H+]([C@@H]3CCCOC3)CCC[NH2+]2)CC1 ZINC000086297642 179267283 /nfs/dbraw/zinc/26/72/83/179267283.db2.gz AOJSTCXFGNVLOZ-CVEARBPZSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[C@@]1(C)C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296845 179267354 /nfs/dbraw/zinc/26/73/54/179267354.db2.gz FUFPYBPGVKMRBQ-ZDUSSCGKSA-N 2 1 253.415 2.150 10 0 CEAEMP CC[C@@]1(C)C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296845 179267356 /nfs/dbraw/zinc/26/73/56/179267356.db2.gz FUFPYBPGVKMRBQ-ZDUSSCGKSA-N 2 1 253.415 2.150 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC1=[NH+]C[C@H](C)CS1 ZINC000086633232 179314860 /nfs/dbraw/zinc/31/48/60/179314860.db2.gz HJOATUUOYDQKEJ-LBPRGKRZSA-N 2 1 257.447 2.435 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818816 179347333 /nfs/dbraw/zinc/34/73/33/179347333.db2.gz PPFQJQYCHDGICC-CABCVRRESA-N 2 1 260.381 2.064 10 0 CEAEMP C[C@H](CN[C@@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818834 179348502 /nfs/dbraw/zinc/34/85/02/179348502.db2.gz NEKOTMUPEZYDDP-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818834 179348503 /nfs/dbraw/zinc/34/85/03/179348503.db2.gz NEKOTMUPEZYDDP-HZPDHXFCSA-N 3 1 267.461 2.182 10 0 CEAEMP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818834 179348506 /nfs/dbraw/zinc/34/85/06/179348506.db2.gz NEKOTMUPEZYDDP-HZPDHXFCSA-N 3 1 267.461 2.182 10 0 CEAEMP C[N@H+]1CCC[C@@](C[NH3+])(N2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819540 179348516 /nfs/dbraw/zinc/34/85/16/179348516.db2.gz IKUSGCBUIXYVEE-ZWKOTPCHSA-N 2 1 287.451 2.289 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835828 179349638 /nfs/dbraw/zinc/34/96/38/179349638.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@H]1CN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835828 179349639 /nfs/dbraw/zinc/34/96/39/179349639.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH+]1CCC[C@H]1CN[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835828 179349641 /nfs/dbraw/zinc/34/96/41/179349641.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835828 179349642 /nfs/dbraw/zinc/34/96/42/179349642.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835828 179349643 /nfs/dbraw/zinc/34/96/43/179349643.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848387 179356391 /nfs/dbraw/zinc/35/63/91/179356391.db2.gz DGCWZRWOFQDPQJ-MRXNPFEDSA-N 2 1 279.403 2.465 10 0 CEAEMP COCCN(CC(C)C)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848010 179356760 /nfs/dbraw/zinc/35/67/60/179356760.db2.gz XEEZIWQOUOZEOD-QGZVFWFLSA-N 2 1 299.503 2.183 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836788 179351158 /nfs/dbraw/zinc/35/11/58/179351158.db2.gz RJLDDTOVSIWUET-HNNXBMFYSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836788 179351161 /nfs/dbraw/zinc/35/11/61/179351161.db2.gz RJLDDTOVSIWUET-HNNXBMFYSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NC)CC1 ZINC000086840576 179352732 /nfs/dbraw/zinc/35/27/32/179352732.db2.gz VUHLKFBPRXTZMO-CABCVRRESA-N 2 1 283.460 2.001 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848905 179358030 /nfs/dbraw/zinc/35/80/30/179358030.db2.gz GTDSIMXFVKWGFN-XHSDSOJGSA-N 2 1 299.528 2.406 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+]Cc2ccc(C)s2)CC[N@H+]1C ZINC000104138804 185906582 /nfs/dbraw/zinc/90/65/82/185906582.db2.gz CTQVHXFRPFXRSS-CQSZACIVSA-N 2 1 281.469 2.172 10 0 CEAEMP COCC[N@@H+](CC(C)(C)C(C)(C)[NH3+])[C@H](C)C1CC1 ZINC000087630541 179459917 /nfs/dbraw/zinc/45/99/17/179459917.db2.gz VIVBJMNYVQYFHC-GFCCVEGCSA-N 2 1 256.434 2.497 10 0 CEAEMP CC[NH2+][C@@H](C)C1CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC000088584807 179630754 /nfs/dbraw/zinc/63/07/54/179630754.db2.gz XCVLVJBTAOYFQG-ZDUSSCGKSA-N 2 1 279.432 2.069 10 0 CEAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400321127 233176215 /nfs/dbraw/zinc/17/62/15/233176215.db2.gz BVJDZWLWTFYRHZ-IJEWVQPXSA-N 2 1 262.397 2.322 10 0 CEAEMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414587 233177327 /nfs/dbraw/zinc/17/73/27/233177327.db2.gz VADMUNJMIUQYEA-CYGHRXIMSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414587 233177330 /nfs/dbraw/zinc/17/73/30/233177330.db2.gz VADMUNJMIUQYEA-CYGHRXIMSA-N 2 1 287.451 2.237 10 0 CEAEMP CC[NH2+]CC1(CN2CCC[N@@H+](C)CC2)CCC(C)CC1 ZINC000089579749 179824162 /nfs/dbraw/zinc/82/41/62/179824162.db2.gz NQRDWIPTHNIVPY-UHFFFAOYSA-N 2 1 281.488 2.430 10 0 CEAEMP CC(C)C[NH2+]Cc1cncn1C[C@H]1CC[N@H+](C(C)C)C1 ZINC000090241964 179939001 /nfs/dbraw/zinc/93/90/01/179939001.db2.gz LMYLOLQZXQDXTP-HNNXBMFYSA-N 2 1 278.444 2.359 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1C ZINC000090334867 179964672 /nfs/dbraw/zinc/96/46/72/179964672.db2.gz YHMXMLTUOSYVGF-GJZGRUSLSA-N 2 1 274.408 2.433 10 0 CEAEMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000090693747 180025803 /nfs/dbraw/zinc/02/58/03/180025803.db2.gz HTRQOKWWHLSNCG-QKPAOTATSA-N 2 1 266.429 2.408 10 0 CEAEMP C(C[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693641 180026453 /nfs/dbraw/zinc/02/64/53/180026453.db2.gz TZNLKMPFUXZBCS-BZUAXINKSA-N 2 1 266.429 2.410 10 0 CEAEMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC000090773182 180039036 /nfs/dbraw/zinc/03/90/36/180039036.db2.gz RPUHZBBEXQRFPI-CABCVRRESA-N 2 1 254.418 2.121 10 0 CEAEMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC000090773182 180039038 /nfs/dbraw/zinc/03/90/38/180039038.db2.gz RPUHZBBEXQRFPI-CABCVRRESA-N 2 1 254.418 2.121 10 0 CEAEMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019570 180088278 /nfs/dbraw/zinc/08/82/78/180088278.db2.gz LUSGRWHVZLGFQK-BXUZGUMPSA-N 2 1 258.369 2.265 10 0 CEAEMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019570 180088281 /nfs/dbraw/zinc/08/82/81/180088281.db2.gz LUSGRWHVZLGFQK-BXUZGUMPSA-N 2 1 258.369 2.265 10 0 CEAEMP CCN(CC)C(=O)C[C@@H](CN)[N@@H+](CC)Cc1ccccc1 ZINC000091322618 180134603 /nfs/dbraw/zinc/13/46/03/180134603.db2.gz QZQHZOVADYZYAT-INIZCTEOSA-N 2 1 291.439 2.094 10 0 CEAEMP [NH3+]C[C@H](CC(=O)N1CCCCC1)[NH2+]C1CCCCCC1 ZINC000091325571 180135225 /nfs/dbraw/zinc/13/52/25/180135225.db2.gz UJKZSTYKZLZHQS-HNNXBMFYSA-N 2 1 281.444 2.029 10 0 CEAEMP CC(C)n1cncc1C[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091273116 180117680 /nfs/dbraw/zinc/11/76/80/180117680.db2.gz DHMQTTYPTJANSV-UKRRQHHQSA-N 2 1 264.417 2.413 10 0 CEAEMP CC(C)n1cncc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091273116 180117683 /nfs/dbraw/zinc/11/76/83/180117683.db2.gz DHMQTTYPTJANSV-UKRRQHHQSA-N 2 1 264.417 2.413 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](N(C)C)C2)c1 ZINC000091430850 180153625 /nfs/dbraw/zinc/15/36/25/180153625.db2.gz MZCYQZDWQCKYSO-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](N(C)C)C2)c1 ZINC000091430850 180153626 /nfs/dbraw/zinc/15/36/26/180153626.db2.gz MZCYQZDWQCKYSO-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP C[NH2+][C@H](C)C(C)(C)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000091403989 180147283 /nfs/dbraw/zinc/14/72/83/180147283.db2.gz UTVKLXFMUYSRRC-QWHCGFSZSA-N 2 1 256.434 2.367 10 0 CEAEMP C[NH2+][C@H](C)C(C)(C)C[N@@H+](CCO)Cc1ccccc1 ZINC000091403106 180147637 /nfs/dbraw/zinc/14/76/37/180147637.db2.gz GRFIKGPVZKXYQQ-CQSZACIVSA-N 2 1 264.413 2.115 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1cc[nH+]c(N)c1 ZINC000091572949 180196725 /nfs/dbraw/zinc/19/67/25/180196725.db2.gz UDXUWTCETQAENF-UKRRQHHQSA-N 2 1 265.401 2.078 10 0 CEAEMP CC[NH2+][C@H](Cc1ncnn1CC)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607581 180203779 /nfs/dbraw/zinc/20/37/79/180203779.db2.gz ITJHFITWVHKMQG-ZBFHGGJFSA-N 2 1 293.459 2.083 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609641 180205368 /nfs/dbraw/zinc/20/53/68/180205368.db2.gz HHGHCIRONNKFGQ-WBVHZDCISA-N 2 1 290.455 2.449 10 0 CEAEMP C[NH2+][C@H](CCc1ccc2c(c1)CCO2)C(C)(C)[NH+](C)C ZINC000091528632 180180295 /nfs/dbraw/zinc/18/02/95/180180295.db2.gz JZBGWUITYNGEAD-MRXNPFEDSA-N 2 1 276.424 2.482 10 0 CEAEMP CCc1cc(C[C@H]([NH2+]C)C(C)(C)[NH+]2CCCC2)n(CC)n1 ZINC000091534704 180182198 /nfs/dbraw/zinc/18/21/98/180182198.db2.gz ZIGPYBOXNFCXLR-INIZCTEOSA-N 2 1 292.471 2.470 10 0 CEAEMP [NH3+][C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720474 180235310 /nfs/dbraw/zinc/23/53/10/180235310.db2.gz AFRCRRSJVFDYBA-KFWWJZLASA-N 2 1 280.799 2.073 10 0 CEAEMP CC[NH2+][C@H](C[C@H](C)CC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721554 180238314 /nfs/dbraw/zinc/23/83/14/180238314.db2.gz AIEWUZUNWRQMGD-TUVASFSCSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@H](C[C@H](C)CC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721554 180238316 /nfs/dbraw/zinc/23/83/16/180238316.db2.gz AIEWUZUNWRQMGD-TUVASFSCSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[N@@H+](Cc1cncn1CC)C1CCC([NH3+])CC1 ZINC000091851667 180272910 /nfs/dbraw/zinc/27/29/10/180272910.db2.gz KQMDNQCFDZNSBH-UHFFFAOYSA-N 2 1 264.417 2.385 10 0 CEAEMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1O ZINC000091844309 180269446 /nfs/dbraw/zinc/26/94/46/180269446.db2.gz HXQLVJMVZSFZIA-UHFFFAOYSA-N 2 1 264.369 2.103 10 0 CEAEMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091846394 180270036 /nfs/dbraw/zinc/27/00/36/180270036.db2.gz SBHSKPRLGFCVCP-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C1CCC([NH3+])CC1 ZINC000091846394 180270038 /nfs/dbraw/zinc/27/00/38/180270038.db2.gz SBHSKPRLGFCVCP-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C1CCC([NH3+])CC1 ZINC000091846394 180270041 /nfs/dbraw/zinc/27/00/41/180270041.db2.gz SBHSKPRLGFCVCP-SLTAFYQDSA-N 3 1 253.434 2.063 10 0 CEAEMP CN1CCCC[C@H]1CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846394 180270043 /nfs/dbraw/zinc/27/00/43/180270043.db2.gz SBHSKPRLGFCVCP-SLTAFYQDSA-N 2 1 253.434 2.063 10 0 CEAEMP CN1CCCC[C@H]1CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846394 180270045 /nfs/dbraw/zinc/27/00/45/180270045.db2.gz SBHSKPRLGFCVCP-SLTAFYQDSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@@H+](Cc1c(C)nn(C)c1C)C1CCC([NH3+])CC1 ZINC000091849619 180271036 /nfs/dbraw/zinc/27/10/36/180271036.db2.gz SUECLDMLHCRWHO-UHFFFAOYSA-N 2 1 264.417 2.129 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCCCC[C@@H]1O ZINC000091850738 180271765 /nfs/dbraw/zinc/27/17/65/180271765.db2.gz XIUXNPXDBMXNEF-WUCCLRPBSA-N 2 1 254.418 2.272 10 0 CEAEMP CCN(C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850408 180272283 /nfs/dbraw/zinc/27/22/83/180272283.db2.gz GWMIKYRZHIGUKQ-QGBVMSHASA-N 2 1 295.471 2.366 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)CC(=O)N2CCCCCC2)CC1 ZINC000091870296 180277222 /nfs/dbraw/zinc/27/72/22/180277222.db2.gz NDSUUCFSBYFCEJ-UHFFFAOYSA-N 2 1 295.471 2.242 10 0 CEAEMP C[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000092003341 180304560 /nfs/dbraw/zinc/30/45/60/180304560.db2.gz VXOLROQVHPPUPO-OLZOCXBDSA-N 2 1 294.830 2.127 10 0 CEAEMP CCCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1C[NH3+] ZINC000092004863 180305444 /nfs/dbraw/zinc/30/54/44/180305444.db2.gz SOCFOXCIDDIYFE-NEPJUHHUSA-N 2 1 294.468 2.227 10 0 CEAEMP C[NH2+]Cc1ccccc1OCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092089361 180321660 /nfs/dbraw/zinc/32/16/60/180321660.db2.gz SECMBDCQJZAUDM-OKILXGFUSA-N 2 1 262.397 2.373 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]CCSc2ccccc2)C1 ZINC000092242696 180351347 /nfs/dbraw/zinc/35/13/47/180351347.db2.gz XWBWPNPBBPBKGB-ZDUSSCGKSA-N 2 1 250.411 2.320 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000092339841 180365273 /nfs/dbraw/zinc/36/52/73/180365273.db2.gz XHPGQVHBYKXFEP-CQSZACIVSA-N 2 1 278.444 2.247 10 0 CEAEMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000092339841 180365274 /nfs/dbraw/zinc/36/52/74/180365274.db2.gz XHPGQVHBYKXFEP-CQSZACIVSA-N 2 1 278.444 2.247 10 0 CEAEMP Cc1cccc(CN2CCC[N@@H+](CCCCC[NH3+])CC2)n1 ZINC000092427834 180383551 /nfs/dbraw/zinc/38/35/51/180383551.db2.gz QXHGHZQRSRMTRP-UHFFFAOYSA-N 2 1 290.455 2.027 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1cc(C[NH3+])nc2ccccc21 ZINC000109589622 186265324 /nfs/dbraw/zinc/26/53/24/186265324.db2.gz VZSSUSXHWRWJPN-ZDUSSCGKSA-N 2 1 284.407 2.081 10 0 CEAEMP CCCC1(C[N@H+]2CC[C@@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000110371014 186294411 /nfs/dbraw/zinc/29/44/11/186294411.db2.gz YNDKCPHMGVTVRC-MRXNPFEDSA-N 2 1 279.472 2.326 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2C[C@H]1CCCC[N@H+]1C ZINC000110629946 186308036 /nfs/dbraw/zinc/30/80/36/186308036.db2.gz GPAZBKMURLFDDQ-SNVBAGLBSA-N 2 1 292.358 2.251 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705213 186314070 /nfs/dbraw/zinc/31/40/70/186314070.db2.gz ATTKKHCDIYAISO-WFASDCNBSA-N 2 1 279.403 2.240 10 0 CEAEMP CCOc1cccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110711623 186315585 /nfs/dbraw/zinc/31/55/85/186315585.db2.gz VNRXJGJVIBSQHT-MRXNPFEDSA-N 2 1 291.439 2.111 10 0 CEAEMP Cc1ccccc1[C@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716376 186316670 /nfs/dbraw/zinc/31/66/70/186316670.db2.gz BOVAXKFFGRXFIL-OAHLLOKOSA-N 2 1 261.413 2.021 10 0 CEAEMP C[N@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1(C)C ZINC000110742765 186318629 /nfs/dbraw/zinc/31/86/29/186318629.db2.gz ZKQQIVGOZKEKQJ-OAHLLOKOSA-N 2 1 289.423 2.019 10 0 CEAEMP CC[C@@H]1CN(CC2(C[NH2+]C3CC3)CCCC2)CC[N@H+]1C ZINC000110746385 186319389 /nfs/dbraw/zinc/31/93/89/186319389.db2.gz ZKHZMXXTDCTQHA-MRXNPFEDSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CC[N@H+]1C ZINC000110751485 186320218 /nfs/dbraw/zinc/32/02/18/186320218.db2.gz GMHWLJNPINIZFN-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCN1C ZINC000110751485 186320220 /nfs/dbraw/zinc/32/02/20/186320220.db2.gz GMHWLJNPINIZFN-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCN1C ZINC000110751485 186320221 /nfs/dbraw/zinc/32/02/21/186320221.db2.gz GMHWLJNPINIZFN-CQSZACIVSA-N 2 1 273.424 2.075 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C)C[NH2+]Cc2cccs2)C[C@@H]1C ZINC000110756717 186320592 /nfs/dbraw/zinc/32/05/92/186320592.db2.gz HYOBNFMWFJXTRB-KBPBESRZSA-N 2 1 281.469 2.252 10 0 CEAEMP [NH3+]C[C@H](c1cccc(F)c1F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000111040032 186346810 /nfs/dbraw/zinc/34/68/10/186346810.db2.gz FARAHPDFUFMUEO-IUODEOHRSA-N 2 1 295.377 2.135 10 0 CEAEMP CCOCC[N@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000111123911 186354511 /nfs/dbraw/zinc/35/45/11/186354511.db2.gz VNIFMZRMJIFYJP-UHFFFAOYSA-N 2 1 283.416 2.421 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000111123911 186354513 /nfs/dbraw/zinc/35/45/13/186354513.db2.gz VNIFMZRMJIFYJP-UHFFFAOYSA-N 2 1 283.416 2.421 10 0 CEAEMP CC[NH2+][C@H](C[N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111162161 186364226 /nfs/dbraw/zinc/36/42/26/186364226.db2.gz KWJLDAYGGPFSSW-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+][C@H](C[N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111162161 186364227 /nfs/dbraw/zinc/36/42/27/186364227.db2.gz KWJLDAYGGPFSSW-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP C[N@@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCOC1 ZINC000111175061 186365556 /nfs/dbraw/zinc/36/55/56/186365556.db2.gz KYVUEJBEXBWBRG-HRCADAONSA-N 2 1 298.471 2.281 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)CC1CCOCC1 ZINC000111175551 186365590 /nfs/dbraw/zinc/36/55/90/186365590.db2.gz ATWZABBBHUFJLR-ZDUSSCGKSA-N 2 1 254.418 2.266 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCOC1 ZINC000111175067 186365611 /nfs/dbraw/zinc/36/56/11/186365611.db2.gz KYVUEJBEXBWBRG-JYJNAYRXSA-N 2 1 298.471 2.281 10 0 CEAEMP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320795 186397909 /nfs/dbraw/zinc/39/79/09/186397909.db2.gz AJENIMAQPIOWKE-HZPDHXFCSA-N 2 1 262.397 2.181 10 0 CEAEMP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320795 186397912 /nfs/dbraw/zinc/39/79/12/186397912.db2.gz AJENIMAQPIOWKE-HZPDHXFCSA-N 2 1 262.397 2.181 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](C)[C@@H]2CCSC2)CCCOC1 ZINC000111325032 186398094 /nfs/dbraw/zinc/39/80/94/186398094.db2.gz HYQQWMGSTAKQLH-HUUCEWRRSA-N 2 1 286.485 2.220 10 0 CEAEMP CCC(CC)[N@@H+](CCO)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111327814 186399555 /nfs/dbraw/zinc/39/95/55/186399555.db2.gz WBOWSOQCSGALFV-QGZVFWFLSA-N 2 1 298.471 2.018 10 0 CEAEMP COCCC[N@@H+](C)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111329213 186399973 /nfs/dbraw/zinc/39/99/73/186399973.db2.gz AMNGQYHONDJFHD-MRXNPFEDSA-N 2 1 286.460 2.140 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@H+](C)CCN(C)C)cc1 ZINC000111239056 186374363 /nfs/dbraw/zinc/37/43/63/186374363.db2.gz DHQNIBBJCKNYSQ-UHFFFAOYSA-N 2 1 263.429 2.178 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)CCN(C)C)cc1 ZINC000111239056 186374368 /nfs/dbraw/zinc/37/43/68/186374368.db2.gz DHQNIBBJCKNYSQ-UHFFFAOYSA-N 2 1 263.429 2.178 10 0 CEAEMP C[C@@H]([NH3+])Cc1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000111500834 186425061 /nfs/dbraw/zinc/42/50/61/186425061.db2.gz REBHKGJMJYGNOC-UKRRQHHQSA-N 2 1 291.414 2.390 10 0 CEAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOC1CC[NH2+]CC1 ZINC000111761124 186454960 /nfs/dbraw/zinc/45/49/60/186454960.db2.gz YGDWQQRQYUQMOG-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP Cc1cc[nH+]c(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000630530123 351773731 /nfs/dbraw/zinc/77/37/31/351773731.db2.gz YKGXROBLCQJEMN-MNOVXSKESA-N 2 1 273.302 2.354 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000388840944 540332579 /nfs/dbraw/zinc/33/25/79/540332579.db2.gz YBOFCUSRNRWCGO-HOCLYGCPSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000388840944 540332581 /nfs/dbraw/zinc/33/25/81/540332581.db2.gz YBOFCUSRNRWCGO-HOCLYGCPSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000311773786 540457873 /nfs/dbraw/zinc/45/78/73/540457873.db2.gz YBOFCUSRNRWCGO-GDBMZVCRSA-N 2 1 264.413 2.347 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000311773786 540457876 /nfs/dbraw/zinc/45/78/76/540457876.db2.gz YBOFCUSRNRWCGO-GDBMZVCRSA-N 2 1 264.413 2.347 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000137210333 540531961 /nfs/dbraw/zinc/53/19/61/540531961.db2.gz FUOPYBQZUTVHCP-LBPRGKRZSA-N 2 1 262.422 2.270 10 0 CEAEMP c1csc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178967639 189157778 /nfs/dbraw/zinc/15/77/78/189157778.db2.gz LHFAGMYXWHAGQO-ZDUSSCGKSA-N 2 1 266.410 2.121 10 0 CEAEMP Cc1cccc2c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc[nH+]c12 ZINC000301715308 201155240 /nfs/dbraw/zinc/15/52/40/201155240.db2.gz MPEQNAIMFDYMNF-JKSUJKDBSA-N 2 1 283.375 2.062 10 0 CEAEMP Clc1c[nH+]ccc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335304144 364681318 /nfs/dbraw/zinc/68/13/18/364681318.db2.gz YPCHCJIEIPYNTN-UHFFFAOYSA-N 2 1 251.761 2.315 10 0 CEAEMP CC[C@@H]1CN(c2cc[nH+]cc2Br)CC[C@@H]1[NH3+] ZINC000159919522 366959666 /nfs/dbraw/zinc/95/96/66/366959666.db2.gz XLOMAQJIDQFNPY-KOLCDFICSA-N 2 1 284.201 2.408 10 0 CEAEMP CCc1[nH+]ccn1[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569143 367231857 /nfs/dbraw/zinc/23/18/57/367231857.db2.gz IESYEFULKCWSIK-ZCFIWIBFSA-N 2 1 257.206 2.143 10 0 CEAEMP C[C@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631838850 367579484 /nfs/dbraw/zinc/57/94/84/367579484.db2.gz WDJCWRDVLLRQJD-HOCLYGCPSA-N 2 1 262.397 2.120 10 0 CEAEMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224622339 370280861 /nfs/dbraw/zinc/28/08/61/370280861.db2.gz ZGRYEHMERUFUHN-FQUUOJAGSA-N 2 1 254.418 2.120 10 0 CEAEMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224622339 370280864 /nfs/dbraw/zinc/28/08/64/370280864.db2.gz ZGRYEHMERUFUHN-FQUUOJAGSA-N 2 1 254.418 2.120 10 0 CEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249384931 371318045 /nfs/dbraw/zinc/31/80/45/371318045.db2.gz PPLBFTGMEIOBHU-SJORKVTESA-N 2 1 279.472 2.421 10 0 CEAEMP [NH3+]C1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000261542949 371639633 /nfs/dbraw/zinc/63/96/33/371639633.db2.gz HIAVDZOJDBNCRK-WWDZGPRUSA-N 3 1 287.451 2.368 10 0 CEAEMP [NH3+]C1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000261542949 371639634 /nfs/dbraw/zinc/63/96/34/371639634.db2.gz HIAVDZOJDBNCRK-WWDZGPRUSA-N 2 1 287.451 2.368 10 0 CEAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261981241 371788120 /nfs/dbraw/zinc/78/81/20/371788120.db2.gz RQCZQRRPMCQUSG-JKJDWNRSSA-N 2 1 266.429 2.312 10 0 CEAEMP CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262033283 371805955 /nfs/dbraw/zinc/80/59/55/371805955.db2.gz XSQRWLALOGRNEL-KSZLIROESA-N 2 1 288.435 2.496 10 0 CEAEMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262083951 371821926 /nfs/dbraw/zinc/82/19/26/371821926.db2.gz FRWBSQMJWAAHFE-ARFHVFGLSA-N 2 1 274.408 2.351 10 0 CEAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000641818046 372765607 /nfs/dbraw/zinc/76/56/07/372765607.db2.gz CEWVLRWYLLQUJM-RDBSUJKOSA-N 2 1 252.402 2.005 10 0 CEAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000305167794 379668771 /nfs/dbraw/zinc/66/87/71/379668771.db2.gz YXKJXUYIBRHYOU-HZSPNIEDSA-N 2 1 256.434 2.103 10 0 CEAEMP Cn1c[nH+]cc1[C@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000093154881 184651934 /nfs/dbraw/zinc/65/19/34/184651934.db2.gz OBEQJSYYABNCAV-UONOGXRCSA-N 2 1 259.328 2.420 10 0 CEAEMP CC[NH2+][C@@H](CO)CC[N@@H+](CC(C)C)C(CC)CC ZINC000093325677 184665017 /nfs/dbraw/zinc/66/50/17/184665017.db2.gz AFBVFDHCEHKSGD-CQSZACIVSA-N 2 1 258.450 2.494 10 0 CEAEMP Cc1ccsc1[C@H](C[NH3+])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094438464 184799460 /nfs/dbraw/zinc/79/94/60/184799460.db2.gz SEPUROSGNBAMAY-KGLIPLIRSA-N 2 1 279.453 2.226 10 0 CEAEMP C[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511185 533547894 /nfs/dbraw/zinc/54/78/94/533547894.db2.gz FNOAMRUZERRZRU-AHCXZYCDSA-N 2 1 287.451 2.095 10 0 CEAEMP C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511185 533547896 /nfs/dbraw/zinc/54/78/96/533547896.db2.gz FNOAMRUZERRZRU-AHCXZYCDSA-N 2 1 287.451 2.095 10 0 CEAEMP NC(=[NH2+])c1c(Cl)cccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439596 135087793 /nfs/dbraw/zinc/08/77/93/135087793.db2.gz WJNRGHHVXUGUBZ-LLVKDONJSA-N 2 1 292.814 2.299 10 0 CEAEMP c1cc(N2CC[N@H+]3CCCC[C@@H]3C2)ncc1C[NH2+]C1CC1 ZINC000094443213 135089044 /nfs/dbraw/zinc/08/90/44/135089044.db2.gz JKZIXRGUFQKGAD-MRXNPFEDSA-N 2 1 286.423 2.008 10 0 CEAEMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396563249 395215911 /nfs/dbraw/zinc/21/59/11/395215911.db2.gz IVQXBWZRNWTRJC-TYNCELHUSA-N 2 1 250.361 2.487 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000396621714 395217999 /nfs/dbraw/zinc/21/79/99/395217999.db2.gz VCXRSPMVTRCEPQ-ATLSCFEFSA-N 2 1 287.451 2.237 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223146793 153314820 /nfs/dbraw/zinc/31/48/20/153314820.db2.gz VYPXURNRGMILLR-RRFJBIMHSA-N 2 1 255.450 2.035 10 0 CEAEMP CCc1nc(N2CCC(CC[NH2+]C)CC2)cc(C)[nH+]1 ZINC000261595490 153784377 /nfs/dbraw/zinc/78/43/77/153784377.db2.gz OBNSWPPEWJVIIG-UHFFFAOYSA-N 2 1 262.401 2.173 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177030666 165187330 /nfs/dbraw/zinc/18/73/30/165187330.db2.gz ZGLJTJDJHHOINB-MRXNPFEDSA-N 2 1 295.471 2.050 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCCCO1 ZINC000035151384 172014112 /nfs/dbraw/zinc/01/41/12/172014112.db2.gz CJOWRLLFGCOLSW-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[NH+]1CCC([C@H](C)[NH2+]CCCN(C)C)CC1 ZINC000037210221 173031785 /nfs/dbraw/zinc/03/17/85/173031785.db2.gz PNPPJTPGBKNLIM-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622560 174355647 /nfs/dbraw/zinc/35/56/47/174355647.db2.gz RVBXLQYALQDQAX-HZPDHXFCSA-N 3 1 281.488 2.427 10 0 CEAEMP C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000040717011 174384276 /nfs/dbraw/zinc/38/42/76/174384276.db2.gz YSGSXQMYODZMRA-ZDUSSCGKSA-N 2 1 275.396 2.206 10 0 CEAEMP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc(OC)c1 ZINC000040749191 174394082 /nfs/dbraw/zinc/39/40/82/174394082.db2.gz JXSICDFCNPKGNS-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc(OC)c1 ZINC000040749191 174394083 /nfs/dbraw/zinc/39/40/83/174394083.db2.gz JXSICDFCNPKGNS-AGUYFDCRSA-N 2 1 276.380 2.158 10 0 CEAEMP C[C@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000040767730 174398157 /nfs/dbraw/zinc/39/81/57/174398157.db2.gz NRKUNMSHTOQDIK-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818020 175113003 /nfs/dbraw/zinc/11/30/03/175113003.db2.gz MOJPIQRJRKXYRU-QZTJIDSGSA-N 2 1 287.451 2.290 10 0 CEAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818530 175113911 /nfs/dbraw/zinc/11/39/11/175113911.db2.gz DLAXFWGAKYGDHE-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](CC)C1CCCC1 ZINC000043890904 175118347 /nfs/dbraw/zinc/11/83/47/175118347.db2.gz BDXARPUKCXZVIC-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](CC)C1CCCC1 ZINC000043890904 175118348 /nfs/dbraw/zinc/11/83/48/175118348.db2.gz BDXARPUKCXZVIC-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[C@H](C)[N@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043896497 175119302 /nfs/dbraw/zinc/11/93/02/175119302.db2.gz ONIFDNURAKKNEY-SOUVJXGZSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[C@H](C)[N@@H+](C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043896497 175119303 /nfs/dbraw/zinc/11/93/03/175119303.db2.gz ONIFDNURAKKNEY-SOUVJXGZSA-N 2 1 284.444 2.381 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900042 175122193 /nfs/dbraw/zinc/12/21/93/175122193.db2.gz QJIISSCGMZMPJZ-ZJIFWQFVSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900042 175122195 /nfs/dbraw/zinc/12/21/95/175122195.db2.gz QJIISSCGMZMPJZ-ZJIFWQFVSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970975 175131814 /nfs/dbraw/zinc/13/18/14/175131814.db2.gz QTMAYHYNPZESGE-HOTGVXAUSA-N 2 1 286.460 2.282 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970975 175131815 /nfs/dbraw/zinc/13/18/15/175131815.db2.gz QTMAYHYNPZESGE-HOTGVXAUSA-N 2 1 286.460 2.282 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747329 175242989 /nfs/dbraw/zinc/24/29/89/175242989.db2.gz WIXDUPCQTNTCEU-BLLLJJGKSA-N 2 1 260.381 2.311 10 0 CEAEMP CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000045072522 175302025 /nfs/dbraw/zinc/30/20/25/175302025.db2.gz VEVCXTLGVNRXGK-GJZGRUSLSA-N 2 1 283.460 2.003 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](Cn2c(N)[nH+]c3ccccc32)C1 ZINC000045136012 175313640 /nfs/dbraw/zinc/31/36/40/175313640.db2.gz GTLQLWMJHCREHR-GFCCVEGCSA-N 2 1 258.369 2.349 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272006 175342342 /nfs/dbraw/zinc/34/23/42/175342342.db2.gz TXACZSKOYQYUJT-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045272006 175342343 /nfs/dbraw/zinc/34/23/43/175342343.db2.gz TXACZSKOYQYUJT-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279142 175349319 /nfs/dbraw/zinc/34/93/19/175349319.db2.gz YWHYGIKLUYNWMB-LZWOXQAQSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279142 175349320 /nfs/dbraw/zinc/34/93/20/175349320.db2.gz YWHYGIKLUYNWMB-LZWOXQAQSA-N 2 1 283.460 2.129 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045368198 175362796 /nfs/dbraw/zinc/36/27/96/175362796.db2.gz OWAXMXUFQANHBA-AWEZNQCLSA-N 2 1 258.406 2.169 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373497 175365157 /nfs/dbraw/zinc/36/51/57/175365157.db2.gz IGOAURDEEHOMBE-VNHYZAJKSA-N 2 1 270.417 2.025 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373497 175365159 /nfs/dbraw/zinc/36/51/59/175365159.db2.gz IGOAURDEEHOMBE-VNHYZAJKSA-N 2 1 270.417 2.025 10 0 CEAEMP COC(=O)[C@@](C)(CCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378090 175367651 /nfs/dbraw/zinc/36/76/51/175367651.db2.gz YFUYAQSPQTYVBS-CQSZACIVSA-N 2 1 258.406 2.037 10 0 CEAEMP COC(=O)[C@@](C)(CCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378090 175367652 /nfs/dbraw/zinc/36/76/52/175367652.db2.gz YFUYAQSPQTYVBS-CQSZACIVSA-N 2 1 258.406 2.037 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379567 175367995 /nfs/dbraw/zinc/36/79/95/175367995.db2.gz MFESVSSGJXJWKR-GUTXKFCHSA-N 2 1 270.417 2.310 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379567 175367996 /nfs/dbraw/zinc/36/79/96/175367996.db2.gz MFESVSSGJXJWKR-GUTXKFCHSA-N 2 1 270.417 2.310 10 0 CEAEMP COC(=O)[C@](C)(CCCC[N@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383225 175371008 /nfs/dbraw/zinc/37/10/08/175371008.db2.gz ROUBAPKCLVLUBV-HNNXBMFYSA-N 2 1 270.417 2.181 10 0 CEAEMP COC(=O)[C@](C)(CCCC[N@@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383225 175371009 /nfs/dbraw/zinc/37/10/09/175371009.db2.gz ROUBAPKCLVLUBV-HNNXBMFYSA-N 2 1 270.417 2.181 10 0 CEAEMP CCC[N@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045382355 175371147 /nfs/dbraw/zinc/37/11/47/175371147.db2.gz DMXWEDKHRVAPSK-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](C)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045382355 175371148 /nfs/dbraw/zinc/37/11/48/175371148.db2.gz DMXWEDKHRVAPSK-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH3+])C(=O)OCC ZINC000045388098 175373839 /nfs/dbraw/zinc/37/38/39/175373839.db2.gz OAZKHYFADIHTDH-CQSZACIVSA-N 2 1 258.406 2.169 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388660 175374102 /nfs/dbraw/zinc/37/41/02/175374102.db2.gz VCDZAKFWJVPDBQ-ZFWWWQNUSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388660 175374104 /nfs/dbraw/zinc/37/41/04/175374104.db2.gz VCDZAKFWJVPDBQ-ZFWWWQNUSA-N 2 1 272.433 2.286 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045388199 175374179 /nfs/dbraw/zinc/37/41/79/175374179.db2.gz JFKFLSDRFLLXEU-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392133 175375308 /nfs/dbraw/zinc/37/53/08/175375308.db2.gz JOSDRYWWPUOITL-ZFWWWQNUSA-N 2 1 272.433 2.284 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392133 175375310 /nfs/dbraw/zinc/37/53/10/175375310.db2.gz JOSDRYWWPUOITL-ZFWWWQNUSA-N 2 1 272.433 2.284 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392861 175375656 /nfs/dbraw/zinc/37/56/56/175375656.db2.gz YFXUZKHMLVDYMO-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392861 175375657 /nfs/dbraw/zinc/37/56/57/175375657.db2.gz YFXUZKHMLVDYMO-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H](CC)C1)C(N)=O ZINC000045393391 175376243 /nfs/dbraw/zinc/37/62/43/175376243.db2.gz NJCVEUHATYQSIC-ZBFHGGJFSA-N 2 1 283.460 2.132 10 0 CEAEMP C[N@@H+](C[C@@H](C[NH3+])c1ccccc1)C[C@@H]1CCCOC1 ZINC000070943336 176015571 /nfs/dbraw/zinc/01/55/71/176015571.db2.gz CRTSYMZRUPWCNP-GOEBONIOSA-N 2 1 262.397 2.087 10 0 CEAEMP CC(C)[NH2+][C@H]1CCCN(CCCC[N@@H+](C)C(C)C)C1=O ZINC000071034907 176025052 /nfs/dbraw/zinc/02/50/52/176025052.db2.gz XXFIZIJBNZGUNM-HNNXBMFYSA-N 2 1 283.460 2.096 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000071142480 176040327 /nfs/dbraw/zinc/04/03/27/176040327.db2.gz WPKNAJNKMJRTML-CYBMUJFWSA-N 2 1 257.381 2.220 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](CCOC)C1CC1 ZINC000071161892 176046269 /nfs/dbraw/zinc/04/62/69/176046269.db2.gz WCSGAWSWYLCRJB-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](CCOC)C1CC1 ZINC000071161892 176046271 /nfs/dbraw/zinc/04/62/71/176046271.db2.gz WCSGAWSWYLCRJB-HIFRSBDPSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188088 176061963 /nfs/dbraw/zinc/06/19/63/176061963.db2.gz OHVYRORCZCWICR-COXVUDFISA-N 2 1 293.430 2.488 10 0 CEAEMP Cc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1C ZINC000071188431 176062920 /nfs/dbraw/zinc/06/29/20/176062920.db2.gz MWLUYAKDNBMNMY-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP CC[NH2+]CC(CC)(CC)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191520 176069632 /nfs/dbraw/zinc/06/96/32/176069632.db2.gz ISUNJKUNQHSVJA-OAHLLOKOSA-N 2 1 269.477 2.286 10 0 CEAEMP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000071191267 176070558 /nfs/dbraw/zinc/07/05/58/176070558.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 2 1 293.430 2.360 10 0 CEAEMP CC(C)[NH2+]Cc1occc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191897 176071369 /nfs/dbraw/zinc/07/13/69/176071369.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 2 1 279.428 2.161 10 0 CEAEMP CC1CCC([NH2+]CCN(C)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000071192405 176073199 /nfs/dbraw/zinc/07/31/99/176073199.db2.gz IGQAGRLZQDHMCH-PCKAHOCUSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H]1CN(CCn2cc[nH+]c2C)C2(CCCC2)C[NH2+]1 ZINC000071345276 176131487 /nfs/dbraw/zinc/13/14/87/176131487.db2.gz LAAVMDAWXGFTQD-OAHLLOKOSA-N 2 1 276.428 2.188 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC2(CCCC2)[NH2+]CC1(C)C ZINC000071358954 176137739 /nfs/dbraw/zinc/13/77/39/176137739.db2.gz KOCSFQQPWBHYEO-UHFFFAOYSA-N 2 1 276.428 2.188 10 0 CEAEMP COCCC[N@@H+](C)CCC[C@H]([NH3+])c1ccccc1 ZINC000071402083 176154138 /nfs/dbraw/zinc/15/41/38/176154138.db2.gz MBEUSHVJZMJMJA-HNNXBMFYSA-N 2 1 250.386 2.435 10 0 CEAEMP Cc1[nH+]ccn1CCOc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411843 176157614 /nfs/dbraw/zinc/15/76/14/176157614.db2.gz CBKRCFHFPILBKP-CYBMUJFWSA-N 2 1 273.380 2.469 10 0 CEAEMP CC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862877 276068880 /nfs/dbraw/zinc/06/88/80/276068880.db2.gz YUQDCRSMFWBYQA-KRWDZBQOSA-N 2 1 276.424 2.384 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211816500 280207405 /nfs/dbraw/zinc/20/74/05/280207405.db2.gz JYOLUBWUAHUSHS-SFHVURJKSA-N 2 1 287.451 2.248 10 0 CEAEMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261889574 289006669 /nfs/dbraw/zinc/00/66/69/289006669.db2.gz XIBDECDQWRTPGX-OUAUKWLOSA-N 2 1 250.308 2.259 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183018 519720243 /nfs/dbraw/zinc/72/02/43/519720243.db2.gz UBUOHLHTDXIUCD-LSDHHAIUSA-N 2 1 266.429 2.266 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479263 519725638 /nfs/dbraw/zinc/72/56/38/519725638.db2.gz ISKMJSLRWQIXHL-NWANDNLSSA-N 2 1 254.418 2.262 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507631 519725842 /nfs/dbraw/zinc/72/58/42/519725842.db2.gz TYVYZWKKNWFRKT-OWCLPIDISA-N 2 1 284.444 2.033 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(CC(C)C)CC1 ZINC000055082921 519912959 /nfs/dbraw/zinc/91/29/59/519912959.db2.gz YWZHNEPBTMGPOX-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000052475776 519954957 /nfs/dbraw/zinc/95/49/57/519954957.db2.gz NEOLHLNFNXTISC-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000052475776 519954965 /nfs/dbraw/zinc/95/49/65/519954965.db2.gz NEOLHLNFNXTISC-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653566 520023360 /nfs/dbraw/zinc/02/33/60/520023360.db2.gz JWRDHVQLORAVBJ-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653566 520023372 /nfs/dbraw/zinc/02/33/72/520023372.db2.gz JWRDHVQLORAVBJ-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516544 520033526 /nfs/dbraw/zinc/03/35/26/520033526.db2.gz UYEGAQYBDZRARZ-INIZCTEOSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626727 520238698 /nfs/dbraw/zinc/23/86/98/520238698.db2.gz HKAJUGQWKPAIJW-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000068626727 520238701 /nfs/dbraw/zinc/23/87/01/520238701.db2.gz HKAJUGQWKPAIJW-XJKSGUPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](Cc1ccsc1)C1CC1 ZINC000062741038 520515715 /nfs/dbraw/zinc/51/57/15/520515715.db2.gz UKNXWVWMMCLSLT-AWEZNQCLSA-N 2 1 268.426 2.466 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](CC)CC1CC1 ZINC000069239633 521153269 /nfs/dbraw/zinc/15/32/69/521153269.db2.gz PLKIWAKNMPXSJD-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+](CCN(C)C)CC(C)C)oc1C ZINC000052503314 522106556 /nfs/dbraw/zinc/10/65/56/522106556.db2.gz PRRXPIVPIZPDIH-UHFFFAOYSA-N 2 1 281.444 2.327 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](CCN(C)C)CC(C)C)oc1C ZINC000052503314 522106567 /nfs/dbraw/zinc/10/65/67/522106567.db2.gz PRRXPIVPIZPDIH-UHFFFAOYSA-N 2 1 281.444 2.327 10 0 CEAEMP CCc1[nH+]ccn1C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052593198 522587726 /nfs/dbraw/zinc/58/77/26/522587726.db2.gz VFVPOTQAQGWSKI-UONOGXRCSA-N 2 1 265.401 2.239 10 0 CEAEMP CC(C)CN1CC[NH+]([C@H](C)CCC[NH2+]C2CC2)CC1 ZINC000055082935 519727892 /nfs/dbraw/zinc/72/78/92/519727892.db2.gz AZESVXRSGSNNQT-OAHLLOKOSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C)C[N@H+](CCN(C)C)CC(C)C ZINC000052503303 519744477 /nfs/dbraw/zinc/74/44/77/519744477.db2.gz JGBNNJZLZYIAJZ-MRXNPFEDSA-N 2 1 271.493 2.388 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](CCN(C)C)CC(C)C ZINC000052503303 519744478 /nfs/dbraw/zinc/74/44/78/519744478.db2.gz JGBNNJZLZYIAJZ-MRXNPFEDSA-N 2 1 271.493 2.388 10 0 CEAEMP CCC[NH2+]Cc1occc1C[NH+]1CCSCC1 ZINC000052425565 519972373 /nfs/dbraw/zinc/97/23/73/519972373.db2.gz BYFYOHFKZCZODG-UHFFFAOYSA-N 2 1 254.399 2.328 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](CCOC)[C@H](C)COC)c1 ZINC000052572309 520004032 /nfs/dbraw/zinc/00/40/32/520004032.db2.gz IDSAREJBJLDUCG-OAHLLOKOSA-N 2 1 294.439 2.279 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623383 520042769 /nfs/dbraw/zinc/04/27/69/520042769.db2.gz RTEXMTWGPGLDNS-YCPHGPKFSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623383 520042775 /nfs/dbraw/zinc/04/27/75/520042775.db2.gz RTEXMTWGPGLDNS-YCPHGPKFSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068647979 520044645 /nfs/dbraw/zinc/04/46/45/520044645.db2.gz JBDIKEAHAATLBT-GUYCJALGSA-N 2 1 295.471 2.131 10 0 CEAEMP CCC[NH2+][C@H](C[N@H+](CCOC)CC(C)C)C1CC1 ZINC000069074366 520082598 /nfs/dbraw/zinc/08/25/98/520082598.db2.gz CGDRSROCZAWCGK-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+][C@H](C[N@@H+](CCOC)CC(C)C)C1CC1 ZINC000069074366 520082607 /nfs/dbraw/zinc/08/26/07/520082607.db2.gz CGDRSROCZAWCGK-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069262726 520956814 /nfs/dbraw/zinc/95/68/14/520956814.db2.gz QHGNGFUEPMVRIZ-INIZCTEOSA-N 2 1 268.445 2.371 10 0 CEAEMP CCCc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000068650305 521555837 /nfs/dbraw/zinc/55/58/37/521555837.db2.gz FOCCLJHQCAMLBH-SWLSCSKDSA-N 2 1 280.416 2.029 10 0 CEAEMP CCC[N@@H+](CCC[C@H]1CCCC[NH2+]1)CCN(C)C ZINC000050954137 521654047 /nfs/dbraw/zinc/65/40/47/521654047.db2.gz QACICJVXMBUXAQ-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCN1CC[NH+](C[C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559456 521686963 /nfs/dbraw/zinc/68/69/63/521686963.db2.gz ZDLHGGDFHWONHB-XHSDSOJGSA-N 2 1 267.461 2.024 10 0 CEAEMP CCC1(CC)CC[NH+]([C@@H](C)C[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000068645345 521687403 /nfs/dbraw/zinc/68/74/03/521687403.db2.gz XOQSLKVEGWBAQO-ZFWWWQNUSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[N@H+](Cc1cnn(C)c1)C(CC)(CC)C[NH3+] ZINC000050539294 521691670 /nfs/dbraw/zinc/69/16/70/521691670.db2.gz AGYKGFNDIGPOET-UHFFFAOYSA-N 2 1 252.406 2.150 10 0 CEAEMP CCC[N@@H+](Cc1cnn(C)c1)C(CC)(CC)C[NH3+] ZINC000050539294 521691671 /nfs/dbraw/zinc/69/16/71/521691671.db2.gz AGYKGFNDIGPOET-UHFFFAOYSA-N 2 1 252.406 2.150 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000061654552 521870436 /nfs/dbraw/zinc/87/04/36/521870436.db2.gz BDAVQDRLIUTLPH-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH+](C)C[C@H]1CCCN1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000061654552 521870444 /nfs/dbraw/zinc/87/04/44/521870444.db2.gz BDAVQDRLIUTLPH-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)Cc2cccnc2)c1 ZINC000052479415 522127676 /nfs/dbraw/zinc/12/76/76/522127676.db2.gz GUJODIQSVAFZSP-UHFFFAOYSA-N 2 1 255.365 2.433 10 0 CEAEMP C[NH2+]Cc1coc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000052573161 522149981 /nfs/dbraw/zinc/14/99/81/522149981.db2.gz OYEYWTRNKYBPDV-LSDHHAIUSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1coc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000052573161 522149985 /nfs/dbraw/zinc/14/99/85/522149985.db2.gz OYEYWTRNKYBPDV-LSDHHAIUSA-N 2 1 264.369 2.142 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052511539 522220094 /nfs/dbraw/zinc/22/00/94/522220094.db2.gz ZVDMQOFZPHYCMP-LLVKDONJSA-N 2 1 262.353 2.358 10 0 CEAEMP CC[C@@H](C[NH2+]C(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515225 522543506 /nfs/dbraw/zinc/54/35/06/522543506.db2.gz XAMVOHTXSIBHAG-HNNXBMFYSA-N 3 1 255.450 2.037 10 0 CEAEMP CCc1[nH+]ccn1-c1ccccc1C[NH2+]CCOC ZINC000062738834 522580195 /nfs/dbraw/zinc/58/01/95/522580195.db2.gz PJYNDAWBVNPOHS-UHFFFAOYSA-N 2 1 259.353 2.171 10 0 CEAEMP C[N@H+](CCC[NH2+]C[C@H](O)C(F)(F)F)C1CCCCC1 ZINC000068879267 522772330 /nfs/dbraw/zinc/77/23/30/522772330.db2.gz XFJZGVVDGGWXJZ-LBPRGKRZSA-N 2 1 282.350 2.154 10 0 CEAEMP C[N@@H+](CCC[NH2+]C[C@H](O)C(F)(F)F)C1CCCCC1 ZINC000068879267 522772335 /nfs/dbraw/zinc/77/23/35/522772335.db2.gz XFJZGVVDGGWXJZ-LBPRGKRZSA-N 2 1 282.350 2.154 10 0 CEAEMP COCCC[N@@H+](CCOC)Cc1occc1C[NH2+]C1CC1 ZINC000052543233 523257532 /nfs/dbraw/zinc/25/75/32/523257532.db2.gz IXBKUVDESABTFH-UHFFFAOYSA-N 2 1 296.411 2.017 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571126 523347896 /nfs/dbraw/zinc/34/78/96/523347896.db2.gz QGXUDVXEZJGVOT-YDHLFZDLSA-N 2 1 254.418 2.406 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571163 523507828 /nfs/dbraw/zinc/50/78/28/523507828.db2.gz OPRSWQVLAQBXBK-XJKSGUPXSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953201 523515682 /nfs/dbraw/zinc/51/56/82/523515682.db2.gz NBHXCDPBQPSZEG-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CN(c1nc(C2CC2)c(C[NH3+])s1)[C@@H]1CCC[N@@H+](C)C1 ZINC000069180128 523663302 /nfs/dbraw/zinc/66/33/02/523663302.db2.gz BRAUHGMLZYAWPZ-LLVKDONJSA-N 2 1 280.441 2.010 10 0 CEAEMP C[N@H+]1CCCN(Cc2cccc(C[NH2+]C3CC3)c2)CC1 ZINC000052424161 523810537 /nfs/dbraw/zinc/81/05/37/523810537.db2.gz WRXURAVIRGNFPQ-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CN1CCC[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)CC1 ZINC000052424161 523810541 /nfs/dbraw/zinc/81/05/41/523810541.db2.gz WRXURAVIRGNFPQ-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CN1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)CC1 ZINC000052424161 523810544 /nfs/dbraw/zinc/81/05/44/523810544.db2.gz WRXURAVIRGNFPQ-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(C)c(C[NH3+])o1 ZINC000052547354 523938729 /nfs/dbraw/zinc/93/87/29/523938729.db2.gz KXVVVPDCRQKIGZ-LBPRGKRZSA-N 2 1 254.374 2.294 10 0 CEAEMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011081 524036652 /nfs/dbraw/zinc/03/66/52/524036652.db2.gz ZBELQVNMDLAENL-AWEZNQCLSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011081 524036655 /nfs/dbraw/zinc/03/66/55/524036655.db2.gz ZBELQVNMDLAENL-AWEZNQCLSA-N 2 1 260.381 2.269 10 0 CEAEMP C[C@H]1CCC[C@@H]([NH2+]CCN(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053388537 524152717 /nfs/dbraw/zinc/15/27/17/524152717.db2.gz WTXGFVGIRQDTPI-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@@H](C[NH2+]C(C)(C)C)CN1CCC(C[NH+](C)C)CC1 ZINC000052515264 524732762 /nfs/dbraw/zinc/73/27/62/524732762.db2.gz IWEJMVNUBAPTCS-AWEZNQCLSA-N 2 1 269.477 2.284 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055125534 526246450 /nfs/dbraw/zinc/24/64/50/526246450.db2.gz XNKLIBUUDLJSGZ-FHERZECASA-N 2 1 295.471 2.275 10 0 CEAEMP c1ccc(C[N@H+]2CC[C@@H](OC3CC[NH2+]CC3)C2)cc1 ZINC000061702231 526470601 /nfs/dbraw/zinc/47/06/01/526470601.db2.gz TYRMSBHQIZSLOU-MRXNPFEDSA-N 2 1 260.381 2.030 10 0 CEAEMP c1ccc(C[N@H+]2CC[C@H](OC3CC[NH2+]CC3)C2)cc1 ZINC000061702230 526470644 /nfs/dbraw/zinc/47/06/44/526470644.db2.gz TYRMSBHQIZSLOU-INIZCTEOSA-N 2 1 260.381 2.030 10 0 CEAEMP [NH3+]C1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCCCC1 ZINC000062036362 527129220 /nfs/dbraw/zinc/12/92/20/527129220.db2.gz HPARYRYPYXWIBR-UHFFFAOYSA-N 3 1 279.472 2.456 10 0 CEAEMP [NH3+]CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CCO ZINC000055015180 527190641 /nfs/dbraw/zinc/19/06/41/527190641.db2.gz VIXORDFLZPMNGK-CVEARBPZSA-N 2 1 262.397 2.313 10 0 CEAEMP [NH3+]C[C@H]1CC[C@@H](C[N@@H+](Cc2cccs2)C2CC2)O1 ZINC000052370696 527239752 /nfs/dbraw/zinc/23/97/52/527239752.db2.gz JAANDXSDBRSKFO-OLZOCXBDSA-N 2 1 266.410 2.219 10 0 CEAEMP [NH3+]Cc1sc(N2CCC[N@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000069182486 527268582 /nfs/dbraw/zinc/26/85/82/527268582.db2.gz TXIDRFOXVDGKHH-GFCCVEGCSA-N 2 1 292.452 2.154 10 0 CEAEMP COc1cccc(N2CC[NH+](CC(C)(C)[C@H](C)[NH3+])CC2)c1 ZINC000091402715 537122902 /nfs/dbraw/zinc/12/29/02/537122902.db2.gz AZONDKQRRCTWOP-AWEZNQCLSA-N 2 1 291.439 2.191 10 0 CEAEMP C[C@H]1CCN(c2cc[nH+]cc2Br)C[C@H]1C[NH3+] ZINC000253196594 628652139 /nfs/dbraw/zinc/65/21/39/628652139.db2.gz SZPUPLIZUZPEBH-VHSXEESVSA-N 2 1 284.201 2.265 10 0 CEAEMP Fc1cccnc1O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261955057 629389327 /nfs/dbraw/zinc/38/93/27/629389327.db2.gz OOIIWUSURSYMRW-UONOGXRCSA-N 2 1 293.386 2.064 10 0 CEAEMP Fc1cccnc1O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261955057 629389329 /nfs/dbraw/zinc/38/93/29/629389329.db2.gz OOIIWUSURSYMRW-UONOGXRCSA-N 2 1 293.386 2.064 10 0 CEAEMP Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262037202 629493290 /nfs/dbraw/zinc/49/32/90/629493290.db2.gz YBEUBNVAKNOLKG-KZNAEPCWSA-N 2 1 288.435 2.284 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052511762 522591568 /nfs/dbraw/zinc/59/15/68/522591568.db2.gz FRRAPGLVXPCYCQ-LBPRGKRZSA-N 2 1 254.374 2.244 10 0 CEAEMP c1cc2c(cc1C[N@H+]1CCO[C@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000228244262 539326009 /nfs/dbraw/zinc/32/60/09/539326009.db2.gz PZUVWJAGDCOMED-MSOLQXFVSA-N 2 1 286.419 2.476 10 0 CEAEMP Cc1nnsc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328449548 539349810 /nfs/dbraw/zinc/34/98/10/539349810.db2.gz KENDMAPAXIFBSN-KGLIPLIRSA-N 2 1 288.420 2.021 10 0 CEAEMP Cc1nnsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328449548 539349814 /nfs/dbraw/zinc/34/98/14/539349814.db2.gz KENDMAPAXIFBSN-KGLIPLIRSA-N 2 1 288.420 2.021 10 0 CEAEMP Cc1cc(N2CCc3ccccc3[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000227724773 344556451 /nfs/dbraw/zinc/55/64/51/344556451.db2.gz SIBPZBSMSDBICR-HNNXBMFYSA-N 2 1 268.364 2.156 10 0 CEAEMP C[C@H]1[C@H](N2CC[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000306886813 344718508 /nfs/dbraw/zinc/71/85/08/344718508.db2.gz SYRMWXVCJJWKNF-DOTOQJQBSA-N 2 1 287.451 2.333 10 0 CEAEMP CC1CCC(O)(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328651942 344757904 /nfs/dbraw/zinc/75/79/04/344757904.db2.gz WESQSRQFLNTEKE-CKDBGZEDSA-N 2 1 291.439 2.319 10 0 CEAEMP CC1CCC(O)(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328651942 344757906 /nfs/dbraw/zinc/75/79/06/344757906.db2.gz WESQSRQFLNTEKE-CKDBGZEDSA-N 2 1 291.439 2.319 10 0 CEAEMP CCc1noc(C)c1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328626022 344756596 /nfs/dbraw/zinc/75/65/96/344756596.db2.gz DSGPDUYSADTZNX-CYBMUJFWSA-N 2 1 288.395 2.436 10 0 CEAEMP CCc1noc(C)c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328626022 344756598 /nfs/dbraw/zinc/75/65/98/344756598.db2.gz DSGPDUYSADTZNX-CYBMUJFWSA-N 2 1 288.395 2.436 10 0 CEAEMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000399191814 344856902 /nfs/dbraw/zinc/85/69/02/344856902.db2.gz QEYLJEIHHZCBMA-HIFRSBDPSA-N 2 1 254.418 2.002 10 0 CEAEMP CC[NH2+][C@@H](C)C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000084391522 178878615 /nfs/dbraw/zinc/87/86/15/178878615.db2.gz WPEMKYPJBDMZQL-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H](C[C@@](C)(O)C[NH3+])[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300951 179009965 /nfs/dbraw/zinc/00/99/65/179009965.db2.gz DJNFVFPUQHEXLC-BPLDGKMQSA-N 2 1 254.418 2.129 10 0 CEAEMP COC[C@H](C)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403828 179053274 /nfs/dbraw/zinc/05/32/74/179053274.db2.gz OUBMEMVRTJSHGV-DZGCQCFKSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[C@@H]1C[NH2+][C@H](CC)CN1CCn1cc[nH+]c1C ZINC000085472657 179076871 /nfs/dbraw/zinc/07/68/71/179076871.db2.gz ZZKZQVDRYQARBI-HUUCEWRRSA-N 2 1 264.417 2.044 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572499 179097049 /nfs/dbraw/zinc/09/70/49/179097049.db2.gz ODWMWZDUAYLTKE-CYBMUJFWSA-N 2 1 288.439 2.137 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085626608 179106694 /nfs/dbraw/zinc/10/66/94/179106694.db2.gz RBUAJFVMVWFMNX-VHDGCEQUSA-N 2 1 252.402 2.018 10 0 CEAEMP CCOCC[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085614913 179104558 /nfs/dbraw/zinc/10/45/58/179104558.db2.gz QEFQHJAOPGNQAH-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CCOCC[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085614913 179104559 /nfs/dbraw/zinc/10/45/59/179104559.db2.gz QEFQHJAOPGNQAH-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[C@H]1CN[C@H](C(C)C)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086173678 179245061 /nfs/dbraw/zinc/24/50/61/179245061.db2.gz OQJFGPMQNNCZFT-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)C)CN1CC1CC[NH+](CC)CC1 ZINC000086173678 179245063 /nfs/dbraw/zinc/24/50/63/179245063.db2.gz OQJFGPMQNNCZFT-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146520 179239224 /nfs/dbraw/zinc/23/92/24/179239224.db2.gz YLYXUBSZBDWAIV-JYJNAYRXSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223147 179252058 /nfs/dbraw/zinc/25/20/58/179252058.db2.gz NBFPUDZFMMRNHI-LZLYRXPVSA-N 2 1 287.451 2.147 10 0 CEAEMP CC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259598 179258215 /nfs/dbraw/zinc/25/82/15/179258215.db2.gz SYCBRYJMPZYCSQ-GOEBONIOSA-N 2 1 279.472 2.466 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291375 179265407 /nfs/dbraw/zinc/26/54/07/179265407.db2.gz WWQGWETVOVRNCY-SOUVJXGZSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259279 179258822 /nfs/dbraw/zinc/25/88/22/179258822.db2.gz GPWJOCOWKYWPGZ-IXDOHACOSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261108 179259998 /nfs/dbraw/zinc/25/99/98/179259998.db2.gz TYZPWGJPWVFLNG-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261108 179260000 /nfs/dbraw/zinc/26/00/00/179260000.db2.gz TYZPWGJPWVFLNG-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261040 179260312 /nfs/dbraw/zinc/26/03/12/179260312.db2.gz XRHTTZFGBSNZSM-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261040 179260315 /nfs/dbraw/zinc/26/03/15/179260315.db2.gz XRHTTZFGBSNZSM-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288754 179264994 /nfs/dbraw/zinc/26/49/94/179264994.db2.gz NZLZNLGVNODNNV-GOEBONIOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259006 179256659 /nfs/dbraw/zinc/25/66/59/179256659.db2.gz JDZGONGKYRXWRD-CVEARBPZSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259006 179256662 /nfs/dbraw/zinc/25/66/62/179256662.db2.gz JDZGONGKYRXWRD-CVEARBPZSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258988 179256815 /nfs/dbraw/zinc/25/68/15/179256815.db2.gz KIDSLTRTDYUILB-ZWKOTPCHSA-N 2 1 293.499 2.427 10 0 CEAEMP COc1ccc([C@H]2[C@@H](C[NH3+])CC[N@@H+]2C)cc1Cl ZINC000086584780 179309324 /nfs/dbraw/zinc/30/93/24/179309324.db2.gz NMHSFPWZQZWGGK-MFKMUULPSA-N 2 1 254.761 2.300 10 0 CEAEMP COc1ccc([C@H]2[C@@H](C[NH3+])CC[N@H+]2C)cc1Cl ZINC000086584780 179309327 /nfs/dbraw/zinc/30/93/27/179309327.db2.gz NMHSFPWZQZWGGK-MFKMUULPSA-N 2 1 254.761 2.300 10 0 CEAEMP C[N@H+](Cc1cnc(Cl)s1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000086777968 179329492 /nfs/dbraw/zinc/32/94/92/179329492.db2.gz SXYDJWNHIIVBFI-PSASIEDQSA-N 2 1 259.806 2.356 10 0 CEAEMP C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000086777968 179329495 /nfs/dbraw/zinc/32/94/95/179329495.db2.gz SXYDJWNHIIVBFI-PSASIEDQSA-N 2 1 259.806 2.356 10 0 CEAEMP CCC1CCC(C[NH3+])(OC[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000086713155 179322849 /nfs/dbraw/zinc/32/28/49/179322849.db2.gz LTADIOCFDKBDIV-AQFXKWCLSA-N 2 1 298.471 2.410 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000086819329 179348802 /nfs/dbraw/zinc/34/88/02/179348802.db2.gz DETFLKBVNWLPKY-BBWFWOEESA-N 2 1 279.472 2.312 10 0 CEAEMP CC[NH+](CC)CCn1cc(N[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC000086818787 179347093 /nfs/dbraw/zinc/34/70/93/179347093.db2.gz CYSZEBWWJFYZDC-OAHLLOKOSA-N 2 1 293.459 2.121 10 0 CEAEMP CCCCN(C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846546 179355768 /nfs/dbraw/zinc/35/57/68/179355768.db2.gz MUUUCSUONHEKTR-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848650 179356268 /nfs/dbraw/zinc/35/62/68/179356268.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848650 179356269 /nfs/dbraw/zinc/35/62/69/179356269.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848650 179356272 /nfs/dbraw/zinc/35/62/72/179356272.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848650 179356273 /nfs/dbraw/zinc/35/62/73/179356273.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848650 179356274 /nfs/dbraw/zinc/35/62/74/179356274.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N2CCC(OCC)CC2)CC1 ZINC000086847431 179356405 /nfs/dbraw/zinc/35/64/05/179356405.db2.gz YOPZXZDWWXZUFZ-QGZVFWFLSA-N 2 1 297.487 2.081 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848208 179356687 /nfs/dbraw/zinc/35/66/87/179356687.db2.gz JQDANGOIADGWEX-OAHLLOKOSA-N 2 1 296.484 2.167 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840345 179350941 /nfs/dbraw/zinc/35/09/41/179350941.db2.gz FQRDGFUMUBDEGL-OAHLLOKOSA-N 2 1 279.472 2.467 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840345 179350943 /nfs/dbraw/zinc/35/09/43/179350943.db2.gz FQRDGFUMUBDEGL-OAHLLOKOSA-N 2 1 279.472 2.467 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840345 179350945 /nfs/dbraw/zinc/35/09/45/179350945.db2.gz FQRDGFUMUBDEGL-OAHLLOKOSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccc2)CC1 ZINC000086846533 179354506 /nfs/dbraw/zinc/35/45/06/179354506.db2.gz IXPGVFNZQMGBFS-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CCCN(CC)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846750 179355538 /nfs/dbraw/zinc/35/55/38/179355538.db2.gz WTGRZXSKZCKVBH-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NCC[NH+](C)C(C)C)CC1 ZINC000086844347 179355666 /nfs/dbraw/zinc/35/56/66/179355666.db2.gz OUZBNYRPQIUPCZ-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NCC[N@H+](C)C(C)C)CC1 ZINC000086844347 179355667 /nfs/dbraw/zinc/35/56/67/179355667.db2.gz OUZBNYRPQIUPCZ-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NCC[N@@H+](C)C(C)C)CC1 ZINC000086844347 179355668 /nfs/dbraw/zinc/35/56/68/179355668.db2.gz OUZBNYRPQIUPCZ-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086851103 179359830 /nfs/dbraw/zinc/35/98/30/179359830.db2.gz GNSSGVYKQLTLIY-HZPDHXFCSA-N 2 1 267.461 2.323 10 0 CEAEMP C[N@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874929 179364500 /nfs/dbraw/zinc/36/45/00/179364500.db2.gz YDEHACFLMLLHHH-ZDUSSCGKSA-N 2 1 254.399 2.078 10 0 CEAEMP C[N@@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874929 179364502 /nfs/dbraw/zinc/36/45/02/179364502.db2.gz YDEHACFLMLLHHH-ZDUSSCGKSA-N 2 1 254.399 2.078 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000086891366 179366343 /nfs/dbraw/zinc/36/63/43/179366343.db2.gz YVFVMRKIDVRESF-ZACQAIPSSA-N 2 1 279.472 2.454 10 0 CEAEMP CC[C@H]1CCC[C@](C[NH3+])([N@H+]2CCCOCC2)CC1 ZINC000086913255 179367225 /nfs/dbraw/zinc/36/72/25/179367225.db2.gz DQMXTCKYTONDAO-GJZGRUSLSA-N 2 1 254.418 2.397 10 0 CEAEMP C[C@H]1SCCC[C@]1(C[NH3+])[NH2+]Cc1cccs1 ZINC000086946363 179368169 /nfs/dbraw/zinc/36/81/69/179368169.db2.gz JBIBHGAISHYLAE-ZYHUDNBSSA-N 2 1 256.440 2.451 10 0 CEAEMP CCC[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000086950252 179368339 /nfs/dbraw/zinc/36/83/39/179368339.db2.gz BFLKKPKPJOWUPT-HZPDHXFCSA-N 2 1 295.471 2.099 10 0 CEAEMP CC(C)[C@@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952106 179368826 /nfs/dbraw/zinc/36/88/26/179368826.db2.gz QOQCCWMEXLJLRX-CVEARBPZSA-N 2 1 268.445 2.249 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016210 179380306 /nfs/dbraw/zinc/38/03/06/179380306.db2.gz XZOFHNFAQGABAJ-KGLIPLIRSA-N 2 1 254.418 2.002 10 0 CEAEMP CC[N@@H+]1CC[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994897 179376057 /nfs/dbraw/zinc/37/60/57/179376057.db2.gz QBILXZOZQOAKMY-DOMZBBRYSA-N 2 1 266.360 2.437 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994897 179376058 /nfs/dbraw/zinc/37/60/58/179376058.db2.gz QBILXZOZQOAKMY-DOMZBBRYSA-N 2 1 266.360 2.437 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000087045876 179388195 /nfs/dbraw/zinc/38/81/95/179388195.db2.gz FQOUEUMMERQGBJ-HWOWSKLDSA-N 2 1 268.445 2.392 10 0 CEAEMP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000087088927 179393793 /nfs/dbraw/zinc/39/37/93/179393793.db2.gz XXWPKYGJJNNMPL-GJZGRUSLSA-N 2 1 268.445 2.392 10 0 CEAEMP CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@@H]1CC[NH3+] ZINC000616623840 348538058 /nfs/dbraw/zinc/53/80/58/348538058.db2.gz JSEBFJDXWSPCMS-CYBMUJFWSA-N 2 1 285.432 2.105 10 0 CEAEMP CC(C)[N@@H+](Cc1cccs1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606835 180011237 /nfs/dbraw/zinc/01/12/37/180011237.db2.gz UZHFLGMQUXRQMA-UONOGXRCSA-N 2 1 268.426 2.322 10 0 CEAEMP C[N@@H+](Cc1cccc(Cl)c1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606664 180011365 /nfs/dbraw/zinc/01/13/65/180011365.db2.gz NLGRTNLPSWJSCF-UONOGXRCSA-N 2 1 268.788 2.136 10 0 CEAEMP CCC(CC)[N@H+](CC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000090877563 180051942 /nfs/dbraw/zinc/05/19/42/180051942.db2.gz OBJQHBFSIWODJM-OAHLLOKOSA-N 2 1 262.397 2.439 10 0 CEAEMP CCC(CC)[N@@H+](CC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000090877563 180051944 /nfs/dbraw/zinc/05/19/44/180051944.db2.gz OBJQHBFSIWODJM-OAHLLOKOSA-N 2 1 262.397 2.439 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090897474 180056669 /nfs/dbraw/zinc/05/66/69/180056669.db2.gz RKUPLMGRVSBCJK-WMLDXEAASA-N 2 1 286.419 2.372 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907977 180062003 /nfs/dbraw/zinc/06/20/03/180062003.db2.gz VPBJHLVUIDIREJ-IYBDPMFKSA-N 2 1 260.381 2.159 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907977 180062004 /nfs/dbraw/zinc/06/20/04/180062004.db2.gz VPBJHLVUIDIREJ-IYBDPMFKSA-N 2 1 260.381 2.159 10 0 CEAEMP CCC[C@H](CC[NH3+])CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908690 180062472 /nfs/dbraw/zinc/06/24/72/180062472.db2.gz LXSHMIPONXBFFD-SOUVJXGZSA-N 2 1 254.418 2.395 10 0 CEAEMP C[N@H+](CC[C@H]1CSCC[NH2+]1)Cc1cccc(F)c1 ZINC000091292008 180123544 /nfs/dbraw/zinc/12/35/44/180123544.db2.gz LKWJPXRXQPNDFA-AWEZNQCLSA-N 2 1 268.401 2.353 10 0 CEAEMP C[N@@H+](CC[C@H]1CSCC[NH2+]1)Cc1cccc(F)c1 ZINC000091292008 180123545 /nfs/dbraw/zinc/12/35/45/180123545.db2.gz LKWJPXRXQPNDFA-AWEZNQCLSA-N 2 1 268.401 2.353 10 0 CEAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+](C)CC1CC(O)C1 ZINC000091490364 180169894 /nfs/dbraw/zinc/16/98/94/180169894.db2.gz VINXPRJTXZIVJQ-XUJLQICISA-N 2 1 262.397 2.088 10 0 CEAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@H+](C)CC1CC(O)C1 ZINC000091490364 180169897 /nfs/dbraw/zinc/16/98/97/180169897.db2.gz VINXPRJTXZIVJQ-XUJLQICISA-N 2 1 262.397 2.088 10 0 CEAEMP CC(C)([C@H](O)c1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091567740 180194994 /nfs/dbraw/zinc/19/49/94/180194994.db2.gz SOFDULMZLYKPAD-CQSZACIVSA-N 2 1 263.385 2.352 10 0 CEAEMP CCC[NH2+][C@H](Cc1cc(C)nn1CC)C(C)(C)[NH+](C)C ZINC000091529491 180180273 /nfs/dbraw/zinc/18/02/73/180180273.db2.gz IJLZJMCDOPXCKW-OAHLLOKOSA-N 2 1 280.460 2.462 10 0 CEAEMP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)N(CC)CC ZINC000091531291 180180636 /nfs/dbraw/zinc/18/06/36/180180636.db2.gz BVSSIJPUGJDEST-CQSZACIVSA-N 2 1 278.444 2.305 10 0 CEAEMP COc1ccccc1C[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 ZINC000091534222 180181653 /nfs/dbraw/zinc/18/16/53/180181653.db2.gz GSUUMALVWWBTOW-HNNXBMFYSA-N 2 1 262.397 2.439 10 0 CEAEMP CCn1ncnc1C[C@@H]([NH2+]C)C(CC)(CC)[NH+]1CCCC1 ZINC000091635302 180211150 /nfs/dbraw/zinc/21/11/50/180211150.db2.gz DJHFODZMFLFZNV-CQSZACIVSA-N 2 1 293.459 2.083 10 0 CEAEMP C[NH2+][C@@H]1CCCc2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722454 180239669 /nfs/dbraw/zinc/23/96/69/180239669.db2.gz XQRIIDYUWVBCIT-WZRBSPASSA-N 2 1 293.436 2.276 10 0 CEAEMP CC[NH2+][C@H](C)c1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091722521 180239934 /nfs/dbraw/zinc/23/99/34/180239934.db2.gz UDVVJZPKJNNJCZ-NQBHXWOUSA-N 2 1 281.425 2.349 10 0 CEAEMP CC[NH2+][C@H](C)c1csc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091722521 180239936 /nfs/dbraw/zinc/23/99/36/180239936.db2.gz UDVVJZPKJNNJCZ-NQBHXWOUSA-N 2 1 281.425 2.349 10 0 CEAEMP CCC[NH2+]Cc1csc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091722563 180240591 /nfs/dbraw/zinc/24/05/91/180240591.db2.gz HKOMTIPUPYBVDA-CHWSQXEVSA-N 2 1 281.425 2.178 10 0 CEAEMP CCC[NH2+][C@H](C1CCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722273 180241045 /nfs/dbraw/zinc/24/10/45/180241045.db2.gz LPXCUNSGIGIRSK-OWCLPIDISA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](C1CCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722273 180241047 /nfs/dbraw/zinc/24/10/47/180241047.db2.gz LPXCUNSGIGIRSK-OWCLPIDISA-N 2 1 266.429 2.408 10 0 CEAEMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC([NH3+])CC1 ZINC000091844759 180269090 /nfs/dbraw/zinc/26/90/90/180269090.db2.gz OHPISTOHXCXWRE-UHFFFAOYSA-N 2 1 262.353 2.117 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cnc(C)s2)CC1 ZINC000091871208 180277126 /nfs/dbraw/zinc/27/71/26/180277126.db2.gz DULBOSCYDZFSTE-UHFFFAOYSA-N 2 1 253.415 2.414 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000091870122 180277571 /nfs/dbraw/zinc/27/75/71/180277571.db2.gz QDDINPRPUFAQDD-FHERZECASA-N 2 1 297.487 2.486 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC000091870052 180277587 /nfs/dbraw/zinc/27/75/87/180277587.db2.gz UEPDRQMDRQCKRA-UHFFFAOYSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000091872973 180277860 /nfs/dbraw/zinc/27/78/60/180277860.db2.gz KAELYGIDARRZIW-NRXISQOPSA-N 2 1 290.407 2.289 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ncc(Cl)n2C)CC1 ZINC000091872934 180277984 /nfs/dbraw/zinc/27/79/84/180277984.db2.gz HYRHXYMMOXGUTJ-UHFFFAOYSA-N 2 1 270.808 2.036 10 0 CEAEMP CCC[NH2+][C@@H](C)c1cccn1C[C@@H]1C[N@@H+](CC)CCO1 ZINC000092060275 180315712 /nfs/dbraw/zinc/31/57/12/180315712.db2.gz RNMVYLOUGRTVKI-GJZGRUSLSA-N 2 1 279.428 2.269 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092087865 180321075 /nfs/dbraw/zinc/32/10/75/180321075.db2.gz CBLSXBCCZMANQH-VNHYZAJKSA-N 2 1 270.417 2.025 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092087865 180321077 /nfs/dbraw/zinc/32/10/77/180321077.db2.gz CBLSXBCCZMANQH-VNHYZAJKSA-N 2 1 270.417 2.025 10 0 CEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092304612 180360580 /nfs/dbraw/zinc/36/05/80/180360580.db2.gz FVNUVJZWHCFVQM-RRCSTGOVSA-N 2 1 272.392 2.092 10 0 CEAEMP COc1ccc2c(c1)[C@@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000092387320 180374805 /nfs/dbraw/zinc/37/48/05/180374805.db2.gz YPTIBYLRSCGBHN-VBQJREDUSA-N 2 1 272.392 2.224 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@H](CO)C(C)C)C1 ZINC000092394495 180376711 /nfs/dbraw/zinc/37/67/11/180376711.db2.gz KYVXUKQTIHHJLD-QLFBSQMISA-N 2 1 256.434 2.103 10 0 CEAEMP CC(C)=CC[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000109545517 186261614 /nfs/dbraw/zinc/26/16/14/186261614.db2.gz ZQNMMEZHZWADPC-HNNXBMFYSA-N 2 1 252.402 2.186 10 0 CEAEMP CN(CC1CCCC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000110834902 186328379 /nfs/dbraw/zinc/32/83/79/186328379.db2.gz HSQBYAGOKPKZKA-XYPWUTKMSA-N 2 1 265.445 2.063 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC[N@H+]1C ZINC000110921112 186332361 /nfs/dbraw/zinc/33/23/61/186332361.db2.gz NDUJKXPUWVBHPM-CABCVRRESA-N 2 1 281.831 2.366 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000110977987 186338620 /nfs/dbraw/zinc/33/86/20/186338620.db2.gz GUUHTZRBHAHQJL-OAHLLOKOSA-N 2 1 279.403 2.160 10 0 CEAEMP Cc1cccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1C ZINC000110711798 186315505 /nfs/dbraw/zinc/31/55/05/186315505.db2.gz IXQVXKGRMCJFCA-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2C)CC[N@H+]1C ZINC000110711278 186315722 /nfs/dbraw/zinc/31/57/22/186315722.db2.gz GQQVCANMMKCYAG-RDJZCZTQSA-N 2 1 275.440 2.329 10 0 CEAEMP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716828 186315887 /nfs/dbraw/zinc/31/58/87/186315887.db2.gz HSOQAIKWYCMEJH-SJORKVTESA-N 2 1 287.451 2.288 10 0 CEAEMP C[NH2+][C@@H](CN1CC[N@@H+](C)[C@@H](C)C1)c1cc2ccccc2o1 ZINC000110713219 186316528 /nfs/dbraw/zinc/31/65/28/186316528.db2.gz COSGSPZQIXSYNI-ZFWWWQNUSA-N 2 1 287.407 2.329 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC[N@H+]1C ZINC000110709881 186316710 /nfs/dbraw/zinc/31/67/10/186316710.db2.gz VITSFRDRRVYOHZ-SJORKVTESA-N 2 1 275.440 2.329 10 0 CEAEMP CC[N@H+]1CCN(CC(C)(C)C[NH2+]C(C)C)C[C@@H]1C ZINC000110745832 186319458 /nfs/dbraw/zinc/31/94/58/186319458.db2.gz CABYQSAOJYTNLF-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP C[NH2+][C@@H](CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000110746923 186319790 /nfs/dbraw/zinc/31/97/90/186319790.db2.gz ZQHQTTNLWIQHAC-ZDUSSCGKSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCN(CCC[NH2+]C2CCCCC2)C[C@@H]1C ZINC000110756582 186321583 /nfs/dbraw/zinc/32/15/83/186321583.db2.gz GGRRILCDUHSCST-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000110757573 186321676 /nfs/dbraw/zinc/32/16/76/186321676.db2.gz XVJNWPAKUYRJKC-HRCADAONSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1CN(c2nc(C)c(C[NH2+]C3CC3)s2)CC[N@H+]1C ZINC000110760278 186323893 /nfs/dbraw/zinc/32/38/93/186323893.db2.gz HAPVRFKHHTYOAV-ZDUSSCGKSA-N 2 1 294.468 2.234 10 0 CEAEMP COc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111156244 186362668 /nfs/dbraw/zinc/36/26/68/186362668.db2.gz MBRFBOXSRHTNRD-DYVFJYSZSA-N 2 1 292.423 2.442 10 0 CEAEMP COc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111156244 186362670 /nfs/dbraw/zinc/36/26/70/186362670.db2.gz MBRFBOXSRHTNRD-DYVFJYSZSA-N 2 1 292.423 2.442 10 0 CEAEMP CCC[NH2+][C@@H](C)CCCC[N@@H+](C)CCC[NH+](C)C ZINC000111135653 186357666 /nfs/dbraw/zinc/35/76/66/186357666.db2.gz WNURLQJTUKBFNE-HNNXBMFYSA-N 3 1 257.466 2.428 10 0 CEAEMP CCC[NH2+][C@@H](C)CCCC[N@H+](C)CCCN(C)C ZINC000111135653 186357667 /nfs/dbraw/zinc/35/76/67/186357667.db2.gz WNURLQJTUKBFNE-HNNXBMFYSA-N 2 1 257.466 2.428 10 0 CEAEMP CCC[NH2+][C@@H](C)CCCC[N@@H+](C)CCCN(C)C ZINC000111135653 186357668 /nfs/dbraw/zinc/35/76/68/186357668.db2.gz WNURLQJTUKBFNE-HNNXBMFYSA-N 2 1 257.466 2.428 10 0 CEAEMP C[NH+](C)CCC[N@H+](C)CC[C@@H](O)c1ccc(F)cc1 ZINC000111148685 186358271 /nfs/dbraw/zinc/35/82/71/186358271.db2.gz GSGGOICGAPIKIZ-OAHLLOKOSA-N 2 1 268.376 2.133 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)CC[C@@H](O)c1ccc(F)cc1 ZINC000111148685 186358272 /nfs/dbraw/zinc/35/82/72/186358272.db2.gz GSGGOICGAPIKIZ-OAHLLOKOSA-N 2 1 268.376 2.133 10 0 CEAEMP CC(C)CC[NH2+]C[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000111176643 186365718 /nfs/dbraw/zinc/36/57/18/186365718.db2.gz GZFDGHSDMJTNAE-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)CC[NH2+]C[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000111176643 186365720 /nfs/dbraw/zinc/36/57/20/186365720.db2.gz GZFDGHSDMJTNAE-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP C[N@@H+](CC1CCOCC1)C[C@H]1CCCCC[C@@H]1[NH3+] ZINC000111172610 186365730 /nfs/dbraw/zinc/36/57/30/186365730.db2.gz XFGRBIAOHAYVKD-CABCVRRESA-N 2 1 254.418 2.252 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@H+](C)Cc2cccc(F)c2)CCCOC1 ZINC000111324519 186398736 /nfs/dbraw/zinc/39/87/36/186398736.db2.gz YDDFTRLIAGYMBZ-MRXNPFEDSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2cccc(F)c2)CCCOC1 ZINC000111324519 186398738 /nfs/dbraw/zinc/39/87/38/186398738.db2.gz YDDFTRLIAGYMBZ-MRXNPFEDSA-N 2 1 280.387 2.274 10 0 CEAEMP CO[C@H]1C[N@H+](Cc2cc(C)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630358531 351711098 /nfs/dbraw/zinc/71/10/98/351711098.db2.gz BMYGDTDQNBNWER-CVEARBPZSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@H]1C[N@@H+](Cc2cc(C)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630358531 351711102 /nfs/dbraw/zinc/71/11/02/351711102.db2.gz BMYGDTDQNBNWER-CVEARBPZSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@H]1C[N@H+](CCCCC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363368 351711819 /nfs/dbraw/zinc/71/18/19/351711819.db2.gz BEKMOOPMZFDBIH-CVEARBPZSA-N 2 1 284.444 2.021 10 0 CEAEMP CO[C@H]1C[N@@H+](CCCCC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363368 351711821 /nfs/dbraw/zinc/71/18/21/351711821.db2.gz BEKMOOPMZFDBIH-CVEARBPZSA-N 2 1 284.444 2.021 10 0 CEAEMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630366354 351714723 /nfs/dbraw/zinc/71/47/23/351714723.db2.gz KDYQCZLXKWLDSW-NTZNESFSSA-N 2 1 264.360 2.106 10 0 CEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630366354 351714729 /nfs/dbraw/zinc/71/47/29/351714729.db2.gz KDYQCZLXKWLDSW-NTZNESFSSA-N 2 1 264.360 2.106 10 0 CEAEMP CCC[N@H+](CC)CC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186371077 283173460 /nfs/dbraw/zinc/17/34/60/283173460.db2.gz IIRGUVSUXUSJAM-HOTGVXAUSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[N@@H+](CC)CC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186371077 283173462 /nfs/dbraw/zinc/17/34/62/283173462.db2.gz IIRGUVSUXUSJAM-HOTGVXAUSA-N 2 1 298.471 2.282 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCCCO)C2)[nH+]1 ZINC000151110035 366620396 /nfs/dbraw/zinc/62/03/96/366620396.db2.gz NGQGEBPRNKYFDF-HNNXBMFYSA-N 2 1 277.412 2.286 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCCCO)C2)[nH+]1 ZINC000151110035 366620403 /nfs/dbraw/zinc/62/04/03/366620403.db2.gz NGQGEBPRNKYFDF-HNNXBMFYSA-N 2 1 277.412 2.286 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000178305028 189104924 /nfs/dbraw/zinc/10/49/24/189104924.db2.gz LNVHDPCYTDBQTQ-MRXNPFEDSA-N 2 1 298.390 2.295 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000178305028 189104925 /nfs/dbraw/zinc/10/49/25/189104925.db2.gz LNVHDPCYTDBQTQ-MRXNPFEDSA-N 2 1 298.390 2.295 10 0 CEAEMP CO[C@H](C)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000182183491 189316094 /nfs/dbraw/zinc/31/60/94/189316094.db2.gz QGBOSHYIJFGFOQ-ZIAGYGMSSA-N 2 1 263.385 2.159 10 0 CEAEMP CO[C@H](C)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000182183491 189316095 /nfs/dbraw/zinc/31/60/95/189316095.db2.gz QGBOSHYIJFGFOQ-ZIAGYGMSSA-N 2 1 263.385 2.159 10 0 CEAEMP Cc1ccccc1[C@]1(O)CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000244701009 370794541 /nfs/dbraw/zinc/79/45/41/370794541.db2.gz JYGUUWUKSVSUEJ-JZXOWHBKSA-N 2 1 288.435 2.406 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000631843077 367586463 /nfs/dbraw/zinc/58/64/63/367586463.db2.gz JDOLHCJQPWLNSV-JQWIXIFHSA-N 2 1 296.798 2.138 10 0 CEAEMP C[C@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000631840213 367580989 /nfs/dbraw/zinc/58/09/89/367580989.db2.gz ASJAQVGCMHGQES-QWHCGFSZSA-N 2 1 250.411 2.305 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000631844584 367585997 /nfs/dbraw/zinc/58/59/97/367585997.db2.gz YKQVHQXFJLIPCL-PWSUYJOCSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000631844584 367586001 /nfs/dbraw/zinc/58/60/01/367586001.db2.gz YKQVHQXFJLIPCL-PWSUYJOCSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000631843077 367586462 /nfs/dbraw/zinc/58/64/62/367586462.db2.gz JDOLHCJQPWLNSV-JQWIXIFHSA-N 2 1 296.798 2.138 10 0 CEAEMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000184677393 368710482 /nfs/dbraw/zinc/71/04/82/368710482.db2.gz NPCCWJUTKHIROV-IPYPFGDCSA-N 2 1 271.368 2.317 10 0 CEAEMP O[C@]12CCCC[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000249308324 371313928 /nfs/dbraw/zinc/31/39/28/371313928.db2.gz DIGTZKNKIZILCP-IRXDYDNUSA-N 2 1 280.456 2.489 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSc3ccccc3)C[C@H]12 ZINC000261558239 371646097 /nfs/dbraw/zinc/64/60/97/371646097.db2.gz DBNBYFAWUNPPNB-AEGPPILISA-N 2 1 262.422 2.448 10 0 CEAEMP Cc1cccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261637081 371685691 /nfs/dbraw/zinc/68/56/91/371685691.db2.gz WPGWRDRIHJCUAG-CWRNSKLLSA-N 2 1 260.381 2.043 10 0 CEAEMP C(CC1CCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261987319 371790656 /nfs/dbraw/zinc/79/06/56/371790656.db2.gz SIGNFRJPWBWRNE-BZUAXINKSA-N 2 1 266.429 2.313 10 0 CEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1C[NH2+]C1 ZINC000643480612 373148478 /nfs/dbraw/zinc/14/84/78/373148478.db2.gz GPQVXKXYHCEWMV-QNDJGXFYSA-N 2 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1C[NH2+]C1 ZINC000643480612 373148485 /nfs/dbraw/zinc/14/84/85/373148485.db2.gz GPQVXKXYHCEWMV-QNDJGXFYSA-N 3 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1C[NH2+]C1 ZINC000643480612 373148494 /nfs/dbraw/zinc/14/84/94/373148494.db2.gz GPQVXKXYHCEWMV-QNDJGXFYSA-N 3 1 299.462 2.095 10 0 CEAEMP CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CC[N@@H+](C)CC(C)(C)C ZINC000093591557 184693833 /nfs/dbraw/zinc/69/38/33/184693833.db2.gz SATMHQDXCHZDFV-PBHICJAKSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[N@@H+](CC[C@@H]1CCC[C@@]1(CO)[NH2+]C1CC1)[C@@H](C)COC ZINC000093617272 184696022 /nfs/dbraw/zinc/69/60/22/184696022.db2.gz WADHXDVXLZPKNK-ZOBUZTSGSA-N 2 1 298.471 2.017 10 0 CEAEMP CCn1ccnc1C[C@@H]([NH3+])C(CC)(CC)[NH+]1CCCC1 ZINC000094163476 184758532 /nfs/dbraw/zinc/75/85/32/184758532.db2.gz ZDESIPYLSRYOBE-CQSZACIVSA-N 2 1 278.444 2.427 10 0 CEAEMP CC(C)[C@@H](C[NH3+])C[NH+]1CCN(c2ccccc2F)CC1 ZINC000087535432 135050745 /nfs/dbraw/zinc/05/07/45/135050745.db2.gz MMUKHTFMRWWWHG-AWEZNQCLSA-N 2 1 279.403 2.179 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H]3C)CC2)c1C ZINC000092957719 135077418 /nfs/dbraw/zinc/07/74/18/135077418.db2.gz TYMHCPRIEAWBAK-DLBZAZTESA-N 2 1 287.451 2.423 10 0 CEAEMP CCC[NH2+]Cc1ccnc(N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000094443187 135088958 /nfs/dbraw/zinc/08/89/58/135088958.db2.gz SQYKBHZOYDWMEH-MRXNPFEDSA-N 2 1 288.439 2.256 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000328347147 394552642 /nfs/dbraw/zinc/55/26/42/394552642.db2.gz MGKJZAWSOGTLJX-IKGGRYGDSA-N 2 1 274.408 2.230 10 0 CEAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000263230703 154039565 /nfs/dbraw/zinc/03/95/65/154039565.db2.gz NIOAYDKOHNVEJN-CRAIPNDOSA-N 2 1 298.386 2.149 10 0 CEAEMP C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@H](CN(C)C)C1 ZINC000178617911 165253686 /nfs/dbraw/zinc/25/36/86/165253686.db2.gz PGDRWCBHZZOBRZ-DOTOQJQBSA-N 2 1 276.424 2.270 10 0 CEAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000020365738 171164343 /nfs/dbraw/zinc/16/43/43/171164343.db2.gz CDQUXARRIBOTJU-ZDUSSCGKSA-N 2 1 271.449 2.001 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)[NH+](C)C)C1 ZINC000038087976 174100870 /nfs/dbraw/zinc/10/08/70/174100870.db2.gz PSHNZWSETHQJSN-RBSFLKMASA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)N(C)C)C1 ZINC000038087976 174100871 /nfs/dbraw/zinc/10/08/71/174100871.db2.gz PSHNZWSETHQJSN-RBSFLKMASA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)N(C)C)C1 ZINC000038087976 174100872 /nfs/dbraw/zinc/10/08/72/174100872.db2.gz PSHNZWSETHQJSN-RBSFLKMASA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]1CC[N@@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040717013 174384532 /nfs/dbraw/zinc/38/45/32/174384532.db2.gz AWZRXPBFHNFWSJ-ZDUSSCGKSA-N 2 1 275.396 2.206 10 0 CEAEMP CC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccccc1C ZINC000043818395 175112806 /nfs/dbraw/zinc/11/28/06/175112806.db2.gz DDLVUZHRWJAMLG-QGZVFWFLSA-N 2 1 275.440 2.283 10 0 CEAEMP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818162 175112884 /nfs/dbraw/zinc/11/28/84/175112884.db2.gz ZUNHYLLFXFACMM-NVXWUHKLSA-N 2 1 275.440 2.282 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903804 175122595 /nfs/dbraw/zinc/12/25/95/175122595.db2.gz HBSDFTPGKDHSLH-KKUMJFAQSA-N 2 1 282.428 2.135 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000044802143 175255753 /nfs/dbraw/zinc/25/57/53/175255753.db2.gz UKZFHAYOIDTBAB-UHFFFAOYSA-N 2 1 283.460 2.084 10 0 CEAEMP C[N@@H+](C[C@H](O)c1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068657 175300682 /nfs/dbraw/zinc/30/06/82/175300682.db2.gz QZKKPIXWUQBSAL-AWEZNQCLSA-N 2 1 250.386 2.157 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000045134849 175313126 /nfs/dbraw/zinc/31/31/26/175313126.db2.gz BLDVKKFTWHMAFN-HNNXBMFYSA-N 2 1 268.445 2.392 10 0 CEAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045370424 175364531 /nfs/dbraw/zinc/36/45/31/175364531.db2.gz FFUQPQLLHFKBJH-AWEZNQCLSA-N 2 1 258.406 2.169 10 0 CEAEMP CCC[NH+](CCC)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045378598 175367588 /nfs/dbraw/zinc/36/75/88/175367588.db2.gz CBKTWIWCWYQIPX-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+]1CCc2ccccc2C1 ZINC000045378780 175368286 /nfs/dbraw/zinc/36/82/86/175368286.db2.gz IBVCWSNWFVNNLV-QGZVFWFLSA-N 2 1 290.407 2.105 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@H+]1CCc2ccccc2C1 ZINC000045378780 175368288 /nfs/dbraw/zinc/36/82/88/175368288.db2.gz IBVCWSNWFVNNLV-QGZVFWFLSA-N 2 1 290.407 2.105 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382705 175370842 /nfs/dbraw/zinc/37/08/42/175370842.db2.gz MJGKNXVJSYPJMK-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CC)C(=O)OCC ZINC000045382705 175370843 /nfs/dbraw/zinc/37/08/43/175370843.db2.gz MJGKNXVJSYPJMK-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045386073 175371709 /nfs/dbraw/zinc/37/17/09/175371709.db2.gz XVHSZXXDALHBTO-OAHLLOKOSA-N 2 1 271.449 2.129 10 0 CEAEMP CCC[N@H+](CCC[C@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045386008 175372268 /nfs/dbraw/zinc/37/22/68/175372268.db2.gz CMXATUGUKLJJPZ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCC[C@](C)([NH2+]CC)C(=O)OC)C(C)C ZINC000045386008 175372269 /nfs/dbraw/zinc/37/22/69/175372269.db2.gz CMXATUGUKLJJPZ-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045386906 175372901 /nfs/dbraw/zinc/37/29/01/175372901.db2.gz KDJHTOKDCIVUFQ-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045386906 175372903 /nfs/dbraw/zinc/37/29/03/175372903.db2.gz KDJHTOKDCIVUFQ-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CCC)C(=O)OC ZINC000045387098 175373031 /nfs/dbraw/zinc/37/30/31/175373031.db2.gz GLXSNSMWDQMOGK-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)CCC)C(=O)OC ZINC000045387098 175373033 /nfs/dbraw/zinc/37/30/33/175373033.db2.gz GLXSNSMWDQMOGK-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386587 175373091 /nfs/dbraw/zinc/37/30/91/175373091.db2.gz WICMHVFVMJLXNX-HNNXBMFYSA-N 2 1 270.417 2.181 10 0 CEAEMP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)OC)C1CC1 ZINC000045386587 175373092 /nfs/dbraw/zinc/37/30/92/175373092.db2.gz WICMHVFVMJLXNX-HNNXBMFYSA-N 2 1 270.417 2.181 10 0 CEAEMP CCC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387583 175373258 /nfs/dbraw/zinc/37/32/58/175373258.db2.gz PWLLFIRDORJVKM-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)OCC)C1CC1 ZINC000045387583 175373259 /nfs/dbraw/zinc/37/32/59/175373259.db2.gz PWLLFIRDORJVKM-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCCCC[N@H+](C)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045388120 175373954 /nfs/dbraw/zinc/37/39/54/175373954.db2.gz UUZDIHVXZBHYOO-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045388120 175373955 /nfs/dbraw/zinc/37/39/55/175373955.db2.gz UUZDIHVXZBHYOO-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)[C@@H](C)C(C)C ZINC000045391939 175375848 /nfs/dbraw/zinc/37/58/48/175375848.db2.gz XZDKRRJRXGMDEG-DZGCQCFKSA-N 2 1 272.433 2.414 10 0 CEAEMP [NH3+]CCC[N@H+](C[C@H]1OCCc2ccccc21)C1CC1 ZINC000071044749 176029597 /nfs/dbraw/zinc/02/95/97/176029597.db2.gz DALLTXMRSLJKBO-MRXNPFEDSA-N 2 1 260.381 2.114 10 0 CEAEMP [NH3+]CCC[N@@H+](C[C@H]1OCCc2ccccc21)C1CC1 ZINC000071044749 176029598 /nfs/dbraw/zinc/02/95/98/176029598.db2.gz DALLTXMRSLJKBO-MRXNPFEDSA-N 2 1 260.381 2.114 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000071142478 176040342 /nfs/dbraw/zinc/04/03/42/176040342.db2.gz WPKNAJNKMJRTML-ZDUSSCGKSA-N 2 1 257.381 2.220 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000071188492 176062616 /nfs/dbraw/zinc/06/26/16/176062616.db2.gz MQPXXONSEYCVPG-FZMZJTMJSA-N 2 1 299.821 2.362 10 0 CEAEMP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188404 176063075 /nfs/dbraw/zinc/06/30/75/176063075.db2.gz QMWMPRLWQGNLAY-ZMSDIMECSA-N 2 1 275.440 2.001 10 0 CEAEMP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188809 176063334 /nfs/dbraw/zinc/06/33/34/176063334.db2.gz ARHSWVWFUOWJPD-JLSDUUJJSA-N 2 1 287.451 2.145 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189041 176064296 /nfs/dbraw/zinc/06/42/96/176064296.db2.gz QWZBNEVUBYEZBI-PMPSAXMXSA-N 2 1 267.461 2.181 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000071192103 176073074 /nfs/dbraw/zinc/07/30/74/176073074.db2.gz IDAWZLHRZCVANI-QAPCUYQASA-N 2 1 287.451 2.363 10 0 CEAEMP CCC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192073 176073642 /nfs/dbraw/zinc/07/36/42/176073642.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 2 1 293.455 2.471 10 0 CEAEMP C[C@@H]1CCCC[C@H]1[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192422 176074007 /nfs/dbraw/zinc/07/40/07/176074007.db2.gz OIUNCPRVIIYHOA-BZUAXINKSA-N 2 1 267.461 2.038 10 0 CEAEMP C[C@@H]([NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1cccs1 ZINC000071192225 176074078 /nfs/dbraw/zinc/07/40/78/176074078.db2.gz ZSZPDMYTFIOWCC-ZIAGYGMSSA-N 2 1 281.469 2.282 10 0 CEAEMP COCC[N@@H+](CCC[NH3+])Cc1cc(C)ccc1C ZINC000071224535 176088697 /nfs/dbraw/zinc/08/86/97/176088697.db2.gz UDLZLMDMKLTDJO-UHFFFAOYSA-N 2 1 250.386 2.101 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000071249992 176094856 /nfs/dbraw/zinc/09/48/56/176094856.db2.gz NRHFOYVLWOFCTB-OAHLLOKOSA-N 2 1 266.360 2.021 10 0 CEAEMP C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1C[NH3+] ZINC000071250086 176095027 /nfs/dbraw/zinc/09/50/27/176095027.db2.gz MUFZMYSAKAVMEV-UHFFFAOYSA-N 2 1 273.355 2.354 10 0 CEAEMP CCCN1CC[NH+](CCCCCC[NH2+]CC)CC1 ZINC000071287486 176109682 /nfs/dbraw/zinc/10/96/82/176109682.db2.gz TUKKXIUCUSOEJH-UHFFFAOYSA-N 2 1 255.450 2.184 10 0 CEAEMP Cn1ccnc1C[N@H+](C)CCC[C@H]([NH3+])c1ccccc1 ZINC000071402089 176154064 /nfs/dbraw/zinc/15/40/64/176154064.db2.gz BPYQFLXYMPVIQZ-HNNXBMFYSA-N 2 1 272.396 2.332 10 0 CEAEMP Cn1ccnc1C[N@@H+](C)CCC[C@H]([NH3+])c1ccccc1 ZINC000071402089 176154065 /nfs/dbraw/zinc/15/40/65/176154065.db2.gz BPYQFLXYMPVIQZ-HNNXBMFYSA-N 2 1 272.396 2.332 10 0 CEAEMP Cc1[nH+]ccn1CCOc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411844 176157474 /nfs/dbraw/zinc/15/74/74/176157474.db2.gz CBKRCFHFPILBKP-ZDUSSCGKSA-N 2 1 273.380 2.469 10 0 CEAEMP C[N@H+](CC[NH3+])CCCc1cccc(Br)c1 ZINC000076409624 177020078 /nfs/dbraw/zinc/02/00/78/177020078.db2.gz DSJMBPJEHKQTKI-UHFFFAOYSA-N 2 1 271.202 2.272 10 0 CEAEMP C[N@@H+](CC[NH3+])CCCc1cccc(Br)c1 ZINC000076409624 177020079 /nfs/dbraw/zinc/02/00/79/177020079.db2.gz DSJMBPJEHKQTKI-UHFFFAOYSA-N 2 1 271.202 2.272 10 0 CEAEMP C[C@@H](CCC1CC1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000186269848 262313359 /nfs/dbraw/zinc/31/33/59/262313359.db2.gz GOZRDEUDFMQGML-ZFWWWQNUSA-N 2 1 254.418 2.002 10 0 CEAEMP COCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000503716567 274033575 /nfs/dbraw/zinc/03/35/75/274033575.db2.gz HLONYWFVFKSJIE-HOCLYGCPSA-N 2 1 292.398 2.226 10 0 CEAEMP COCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000503716567 274033576 /nfs/dbraw/zinc/03/35/76/274033576.db2.gz HLONYWFVFKSJIE-HOCLYGCPSA-N 2 1 292.398 2.226 10 0 CEAEMP COCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000503716567 274033577 /nfs/dbraw/zinc/03/35/77/274033577.db2.gz HLONYWFVFKSJIE-HOCLYGCPSA-N 2 1 292.398 2.226 10 0 CEAEMP COCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000503716567 274033578 /nfs/dbraw/zinc/03/35/78/274033578.db2.gz HLONYWFVFKSJIE-HOCLYGCPSA-N 2 1 292.398 2.226 10 0 CEAEMP C[NH2+]CCC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000261995568 277266271 /nfs/dbraw/zinc/26/62/71/277266271.db2.gz NNCINKNDLQWVLP-UHFFFAOYSA-N 2 1 264.417 2.286 10 0 CEAEMP CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261961560 277337788 /nfs/dbraw/zinc/33/77/88/277337788.db2.gz PPWVGXYCHKIEFN-KFWWJZLASA-N 2 1 266.429 2.169 10 0 CEAEMP CN(C)C[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000156642762 289200123 /nfs/dbraw/zinc/20/01/23/289200123.db2.gz HCVDWBLYEKEJCW-HNNXBMFYSA-N 2 1 268.445 2.465 10 0 CEAEMP CN(C)C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000156642762 289200126 /nfs/dbraw/zinc/20/01/26/289200126.db2.gz HCVDWBLYEKEJCW-HNNXBMFYSA-N 2 1 268.445 2.465 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCOC[C@H]2C)cc1 ZINC000052476045 519726830 /nfs/dbraw/zinc/72/68/30/519726830.db2.gz IWROFQAFRDSSGK-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)C[NH2+]CCCC[NH+]1CCN(CC2CC2)CC1 ZINC000052372392 519743269 /nfs/dbraw/zinc/74/32/69/519743269.db2.gz ZINKATQDNZVXRI-UHFFFAOYSA-N 2 1 267.461 2.040 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547428 519935577 /nfs/dbraw/zinc/93/55/77/519935577.db2.gz VKPKQWVYYMVGDC-XHSDSOJGSA-N 2 1 286.460 2.281 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCOC)[C@H](C)COC)oc1C ZINC000052572325 519987909 /nfs/dbraw/zinc/98/79/09/519987909.db2.gz BPZPAKHLZURMFR-CYBMUJFWSA-N 2 1 298.427 2.181 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617309 520043464 /nfs/dbraw/zinc/04/34/64/520043464.db2.gz WZSOGJGWQCKFLR-HOCLYGCPSA-N 2 1 283.460 2.275 10 0 CEAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000062741203 520307877 /nfs/dbraw/zinc/30/78/77/520307877.db2.gz CCTZMCULWWBDKZ-HUUCEWRRSA-N 2 1 254.418 2.395 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000052453124 522126469 /nfs/dbraw/zinc/12/64/69/522126469.db2.gz ZIUYSSXMBMISMA-AWEZNQCLSA-N 2 1 250.411 2.343 10 0 CEAEMP COCCC[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000053385522 518053368 /nfs/dbraw/zinc/05/33/68/518053368.db2.gz NYZBQJKEKZWRDT-HUUCEWRRSA-N 2 1 254.418 2.125 10 0 CEAEMP COCCC[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000053385522 518053355 /nfs/dbraw/zinc/05/33/55/518053355.db2.gz NYZBQJKEKZWRDT-HUUCEWRRSA-N 2 1 254.418 2.125 10 0 CEAEMP CC(C)(C)[NH2+]CC1CC[NH+](Cc2ncccn2)CC1 ZINC000054460415 518755962 /nfs/dbraw/zinc/75/59/62/518755962.db2.gz WZDVQFZRNDSUIG-UHFFFAOYSA-N 2 1 262.401 2.077 10 0 CEAEMP CC(C)(C)[NH2+]CC1(C[NH+]2CCSCC2)CCOCC1 ZINC000052181129 518753750 /nfs/dbraw/zinc/75/37/50/518753750.db2.gz ZKWZOBLAITXWIA-UHFFFAOYSA-N 2 1 286.485 2.220 10 0 CEAEMP CC(C)[N@@H+](CCCO)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017100 519644852 /nfs/dbraw/zinc/64/48/52/519644852.db2.gz CMYBGSKKAJRNGJ-HNNXBMFYSA-N 2 1 250.386 2.169 10 0 CEAEMP CC(C)CC[N@@H+](C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052545947 519650622 /nfs/dbraw/zinc/65/06/22/519650622.db2.gz ZTDQUTPJDDZAEW-CABCVRRESA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+]2C[C@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183155 519720187 /nfs/dbraw/zinc/72/01/87/519720187.db2.gz AATMWUXIXDYWSO-HNNXBMFYSA-N 2 1 298.471 2.281 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@H+]2C[C@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183155 519720189 /nfs/dbraw/zinc/72/01/89/519720189.db2.gz AATMWUXIXDYWSO-HNNXBMFYSA-N 2 1 298.471 2.281 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1 ZINC000052476045 519726829 /nfs/dbraw/zinc/72/68/29/519726829.db2.gz IWROFQAFRDSSGK-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCSCC2)O1 ZINC000052371166 519746492 /nfs/dbraw/zinc/74/64/92/519746492.db2.gz XGXWSRIRCXYUPS-CABCVRRESA-N 2 1 286.485 2.219 10 0 CEAEMP CC(C)C[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCSC2)on1 ZINC000052453320 519746806 /nfs/dbraw/zinc/74/68/06/519746806.db2.gz ZGYICLFQWWCJOO-CYBMUJFWSA-N 2 1 283.441 2.358 10 0 CEAEMP CCCC1CC[NH+]([C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000068641916 519903179 /nfs/dbraw/zinc/90/31/79/519903179.db2.gz DONGHPDOITUQMF-CXAGYDPISA-N 2 1 295.471 2.273 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[N@@H+](C)C1 ZINC000054602690 519907769 /nfs/dbraw/zinc/90/77/69/519907769.db2.gz MIASOAOBMBZSJT-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](CCOC)C(CC)CC)on1 ZINC000052573346 519988107 /nfs/dbraw/zinc/98/81/07/519988107.db2.gz YRQSVXIHXQFKSV-UHFFFAOYSA-N 2 1 283.416 2.421 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000052543543 520018432 /nfs/dbraw/zinc/01/84/32/520018432.db2.gz SUVPBVPLEOLTSY-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000052543543 520018437 /nfs/dbraw/zinc/01/84/37/520018437.db2.gz SUVPBVPLEOLTSY-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](CCOC)CC(C)C ZINC000052508546 520031698 /nfs/dbraw/zinc/03/16/98/520031698.db2.gz NCABVXKKZKFMJY-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CC)C1CCCCC1)C(N)=O ZINC000068617650 520139084 /nfs/dbraw/zinc/13/90/84/520139084.db2.gz ISUUMWVUPVBCPV-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000068617650 520139093 /nfs/dbraw/zinc/13/90/93/520139093.db2.gz ISUUMWVUPVBCPV-CJNGLKHVSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653577 520219728 /nfs/dbraw/zinc/21/97/28/520219728.db2.gz VBNIXYSUMGVITD-HZMVEIRTSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653577 520219735 /nfs/dbraw/zinc/21/97/35/520219735.db2.gz VBNIXYSUMGVITD-HZMVEIRTSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000068628660 520237913 /nfs/dbraw/zinc/23/79/13/520237913.db2.gz ZHWWQTVYXLZXTR-GOEBONIOSA-N 2 1 285.476 2.233 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632688 520239779 /nfs/dbraw/zinc/23/97/79/520239779.db2.gz BPFTUQYQVIQJTC-YSVLISHTSA-N 2 1 295.471 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632688 520239785 /nfs/dbraw/zinc/23/97/85/520239785.db2.gz BPFTUQYQVIQJTC-YSVLISHTSA-N 2 1 295.471 2.273 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052372359 520320060 /nfs/dbraw/zinc/32/00/60/520320060.db2.gz UXSLCVXYJMNLAS-CYBMUJFWSA-N 2 1 266.385 2.308 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](CC2(CC)CC[NH2+]CC2)C1 ZINC000062850966 520320697 /nfs/dbraw/zinc/32/06/97/520320697.db2.gz ULBRAVWDMQPXRQ-CQSZACIVSA-N 2 1 254.418 2.267 10 0 CEAEMP CCCC[NH+](CCCC)CC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062444437 520494165 /nfs/dbraw/zinc/49/41/65/520494165.db2.gz ZMVOVXYGDJDYPL-CQSZACIVSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[N@@H+](CCNCCC[NH+](C)C)C1CCCCC1 ZINC000053344338 521075627 /nfs/dbraw/zinc/07/56/27/521075627.db2.gz ZEQKFQXBJILJPP-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[N@@H+](CCCC[NH2+]C(C)(C)C)CCN(C)C ZINC000052544111 521651919 /nfs/dbraw/zinc/65/19/19/521651919.db2.gz LXBIXJOJQJKULR-UHFFFAOYSA-N 2 1 257.466 2.428 10 0 CEAEMP CCC1(CC)CC[NH+]([C@@H](C)C[C@@](C)([NH2+]C)C(N)=O)CC1 ZINC000068645349 521687933 /nfs/dbraw/zinc/68/79/33/521687933.db2.gz XOQSLKVEGWBAQO-DZGCQCFKSA-N 2 1 283.460 2.131 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H]2CCCO)CCCCC1 ZINC000052765378 521968919 /nfs/dbraw/zinc/96/89/19/521968919.db2.gz IYNCUDKUNFENBA-HNNXBMFYSA-N 2 1 268.445 2.393 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000052540324 522117040 /nfs/dbraw/zinc/11/70/40/522117040.db2.gz SONCHRBHLIADSL-JKSUJKDBSA-N 2 1 260.381 2.159 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503406 522133973 /nfs/dbraw/zinc/13/39/73/522133973.db2.gz UQAWKDODDGFFGM-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP C[NH2+]Cc1ccccc1CN(CC[NH+](C)C)CC(C)C ZINC000052503406 522133980 /nfs/dbraw/zinc/13/39/80/522133980.db2.gz UQAWKDODDGFFGM-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543621 522135940 /nfs/dbraw/zinc/13/59/40/522135940.db2.gz XERHTHVOMROTCV-CYBMUJFWSA-N 2 1 262.397 2.405 10 0 CEAEMP C[NH2+]Cc1occc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573116 522162757 /nfs/dbraw/zinc/16/27/57/522162757.db2.gz BFHHEJSEGYQBLU-KBPBESRZSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1occc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573116 522162768 /nfs/dbraw/zinc/16/27/68/522162768.db2.gz BFHHEJSEGYQBLU-KBPBESRZSA-N 2 1 264.369 2.142 10 0 CEAEMP C[N@@H+](C[C@H]1CCCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182393 523108821 /nfs/dbraw/zinc/10/88/21/523108821.db2.gz KLOIONLKLGIGMC-MRXNPFEDSA-N 2 1 296.455 2.036 10 0 CEAEMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052375346 523265538 /nfs/dbraw/zinc/26/55/38/523265538.db2.gz GQGWRVJSXZBWAK-KFWWJZLASA-N 2 1 252.402 2.160 10 0 CEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642540 523352255 /nfs/dbraw/zinc/35/22/55/523352255.db2.gz USWSIGFDDOHJFA-QKPAOTATSA-N 2 1 267.461 2.166 10 0 CEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061642540 523352265 /nfs/dbraw/zinc/35/22/65/523352265.db2.gz USWSIGFDDOHJFA-QKPAOTATSA-N 2 1 267.461 2.166 10 0 CEAEMP CC[C@@H]1COCC[N@@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022957 523502204 /nfs/dbraw/zinc/50/22/04/523502204.db2.gz CFLPUKGFUJSRQG-KGLIPLIRSA-N 2 1 261.369 2.165 10 0 CEAEMP CC[C@@H]1COCC[N@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022957 523502209 /nfs/dbraw/zinc/50/22/09/523502209.db2.gz CFLPUKGFUJSRQG-KGLIPLIRSA-N 2 1 261.369 2.165 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571209 523507137 /nfs/dbraw/zinc/50/71/37/523507137.db2.gz IQQGAXOVLCMUJI-SMDDNHRTSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052571209 523507145 /nfs/dbraw/zinc/50/71/45/523507145.db2.gz IQQGAXOVLCMUJI-SMDDNHRTSA-N 2 1 266.385 2.307 10 0 CEAEMP COCC[N@@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052572963 523622253 /nfs/dbraw/zinc/62/22/53/523622253.db2.gz QZLAHZZDBXAHJI-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP COCC[NH+](CCOC)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051258258 523715771 /nfs/dbraw/zinc/71/57/71/523715771.db2.gz WUFFAXCCFAKQQL-UHFFFAOYSA-N 2 1 286.460 2.140 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCCC[C@@H](C)[NH2+]C)CC1 ZINC000055065106 523952810 /nfs/dbraw/zinc/95/28/10/523952810.db2.gz GZHUZHILKFJLOS-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@H](CCC[NH3+])O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702319 524139946 /nfs/dbraw/zinc/13/99/46/524139946.db2.gz VFBMAOARNFMFBO-GDBMZVCRSA-N 2 1 262.397 2.405 10 0 CEAEMP C[C@H](CCC[NH2+]C1CC1)[N@@H+](C)CCc1ccccn1 ZINC000052423933 524142273 /nfs/dbraw/zinc/14/22/73/524142273.db2.gz TYEZNRZBRDIHTB-CQSZACIVSA-N 2 1 261.413 2.477 10 0 CEAEMP C[C@H]1CCC[C@@H]([N@@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182640 524143474 /nfs/dbraw/zinc/14/34/74/524143474.db2.gz JPQVVSWRCYRLJK-UONOGXRCSA-N 2 1 254.418 2.252 10 0 CEAEMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052382321 524624530 /nfs/dbraw/zinc/62/45/30/524624530.db2.gz NZQDDMFSBJPSBQ-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052382321 524624535 /nfs/dbraw/zinc/62/45/35/524624535.db2.gz NZQDDMFSBJPSBQ-ZDUSSCGKSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@H]([NH3+])[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514059 524837039 /nfs/dbraw/zinc/83/70/39/524837039.db2.gz ICXKGIAZPOIDDM-DZGCQCFKSA-N 2 1 264.413 2.243 10 0 CEAEMP C[C@H]([NH3+])[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050514059 524837045 /nfs/dbraw/zinc/83/70/45/524837045.db2.gz ICXKGIAZPOIDDM-DZGCQCFKSA-N 2 1 264.413 2.243 10 0 CEAEMP C[C@](C[NH3+])(C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763364 525136992 /nfs/dbraw/zinc/13/69/92/525136992.db2.gz ZZJMUVJJAAVPMS-SJORKVTESA-N 2 1 276.424 2.140 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000054793699 525460606 /nfs/dbraw/zinc/46/06/06/525460606.db2.gz ZOZCWUCZJWGDGI-GFCCVEGCSA-N 2 1 250.390 2.072 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000054793699 525460614 /nfs/dbraw/zinc/46/06/14/525460614.db2.gz ZOZCWUCZJWGDGI-GFCCVEGCSA-N 2 1 250.390 2.072 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000054796841 525461110 /nfs/dbraw/zinc/46/11/10/525461110.db2.gz LRCSSCDRMYEFTG-UHFFFAOYSA-N 2 1 264.417 2.462 10 0 CEAEMP Cc1nc[nH]c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000054796841 525461114 /nfs/dbraw/zinc/46/11/14/525461114.db2.gz LRCSSCDRMYEFTG-UHFFFAOYSA-N 2 1 264.417 2.462 10 0 CEAEMP Cc1oc(C[NH3+])cc1COCC[C@@H]1CCC[N@@H+]1C ZINC000052673429 526770877 /nfs/dbraw/zinc/77/08/77/526770877.db2.gz SZGAUYGUDBVLIX-ZDUSSCGKSA-N 2 1 252.358 2.048 10 0 CEAEMP Cc1ncc(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000052205829 527270566 /nfs/dbraw/zinc/27/05/66/527270566.db2.gz HKACKLXYBPKNDS-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP Cc1ncc(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000052205829 527270572 /nfs/dbraw/zinc/27/05/72/527270572.db2.gz HKACKLXYBPKNDS-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP NNc1cc(C[N@H+](Cc2ccco2)C2CC2)cc[nH+]1 ZINC000052722485 527273608 /nfs/dbraw/zinc/27/36/08/527273608.db2.gz HALROQOMAWZPRM-UHFFFAOYSA-N 2 1 258.325 2.125 10 0 CEAEMP NNc1cc(C[N@@H+](Cc2ccco2)C2CC2)cc[nH+]1 ZINC000052722485 527273617 /nfs/dbraw/zinc/27/36/17/527273617.db2.gz HALROQOMAWZPRM-UHFFFAOYSA-N 2 1 258.325 2.125 10 0 CEAEMP Cc1[nH+]cn(C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)c1C ZINC000052593709 527462440 /nfs/dbraw/zinc/46/24/40/527462440.db2.gz ABWAYMIONNMXBR-ZIAGYGMSSA-N 2 1 251.374 2.046 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000250397587 625086200 /nfs/dbraw/zinc/08/62/00/625086200.db2.gz YVAXHMCPZVBCKD-OAGGEKHMSA-N 2 1 267.461 2.371 10 0 CEAEMP CCN1CCC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000250397587 625086205 /nfs/dbraw/zinc/08/62/05/625086205.db2.gz YVAXHMCPZVBCKD-OAGGEKHMSA-N 2 1 267.461 2.371 10 0 CEAEMP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399066669 628773339 /nfs/dbraw/zinc/77/33/39/628773339.db2.gz BUOXVDWOEXDOSI-CQSZACIVSA-N 2 1 262.397 2.102 10 0 CEAEMP CCC(CC)(CC)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399230197 628785148 /nfs/dbraw/zinc/78/51/48/628785148.db2.gz GLPRHYNEVGJJLJ-UHFFFAOYSA-N 2 1 256.434 2.249 10 0 CEAEMP CCc1cc(NC[C@@H]([NH3+])c2ccccc2)nc(C)[nH+]1 ZINC000088760600 640009958 /nfs/dbraw/zinc/00/99/58/640009958.db2.gz PNIXIDKZUCLFMF-CQSZACIVSA-N 2 1 256.353 2.459 10 0 CEAEMP c1ccc(C[NH+]2CCC3(CC2)CSCC[NH2+]3)cc1 ZINC000096949210 185137956 /nfs/dbraw/zinc/13/79/56/185137956.db2.gz ULJPHJSUSHSXSO-UHFFFAOYSA-N 2 1 262.422 2.358 10 0 CEAEMP CCn1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000169781449 344482697 /nfs/dbraw/zinc/48/26/97/344482697.db2.gz SLHBOWJENUTBKA-MRXNPFEDSA-N 2 1 290.455 2.375 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]12 ZINC000312737336 344739895 /nfs/dbraw/zinc/73/98/95/344739895.db2.gz UOVFXAOYHPSRCN-DMDPSCGWSA-N 2 1 294.782 2.238 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]12 ZINC000312737336 344739897 /nfs/dbraw/zinc/73/98/97/344739897.db2.gz UOVFXAOYHPSRCN-DMDPSCGWSA-N 2 1 294.782 2.238 10 0 CEAEMP C[C@@H]1[C@@H](N2CC[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000306886816 344718235 /nfs/dbraw/zinc/71/82/35/344718235.db2.gz SYRMWXVCJJWKNF-WBVHZDCISA-N 2 1 287.451 2.333 10 0 CEAEMP CC[NH2+][C@@H](CCc1[nH+]ccn1C)[C@H]1CCSC1 ZINC000097451940 185608352 /nfs/dbraw/zinc/60/83/52/185608352.db2.gz WPVAPRJUGCVZSF-RYUDHWBXSA-N 2 1 253.415 2.084 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624038 179106588 /nfs/dbraw/zinc/10/65/88/179106588.db2.gz JQGYMJGSTJVUIK-CABCVRRESA-N 2 1 278.444 2.372 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624043 179107267 /nfs/dbraw/zinc/10/72/67/179107267.db2.gz JQGYMJGSTJVUIK-HUUCEWRRSA-N 2 1 278.444 2.372 10 0 CEAEMP CC(C)(C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613838 179103093 /nfs/dbraw/zinc/10/30/93/179103093.db2.gz YUIFZVMNAVFERM-UONOGXRCSA-N 2 1 254.418 2.266 10 0 CEAEMP Cc1nccn1CC[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615133 179103679 /nfs/dbraw/zinc/10/36/79/179103679.db2.gz GGNIBEFODAFTRA-QGZVFWFLSA-N 2 1 290.455 2.436 10 0 CEAEMP C[N@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccsc1 ZINC000085615410 179104621 /nfs/dbraw/zinc/10/46/21/179104621.db2.gz SDXSTURYULEICQ-GFCCVEGCSA-N 2 1 256.440 2.275 10 0 CEAEMP C[N@@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccsc1 ZINC000085615410 179104624 /nfs/dbraw/zinc/10/46/24/179104624.db2.gz SDXSTURYULEICQ-GFCCVEGCSA-N 2 1 256.440 2.275 10 0 CEAEMP Cc1nccn1CC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623649 179105264 /nfs/dbraw/zinc/10/52/64/179105264.db2.gz QXZNDYIPUPRXBK-BBRMVZONSA-N 2 1 276.428 2.044 10 0 CEAEMP COCCOCC[N@H+]1C[C@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625559 179106474 /nfs/dbraw/zinc/10/64/74/179106474.db2.gz IWZUXVMDBXJREN-DOTOQJQBSA-N 2 1 298.471 2.282 10 0 CEAEMP C[NH+]1CCC(C[N@@H+]2CCN[C@@H](C3CCCCC3)C2)CC1 ZINC000086145661 179237802 /nfs/dbraw/zinc/23/78/02/179237802.db2.gz WSMZGIVKZBRYPB-QGZVFWFLSA-N 2 1 279.472 2.182 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCN[C@@H](C3CCCCC3)C2)CC1 ZINC000086145661 179237805 /nfs/dbraw/zinc/23/78/05/179237805.db2.gz WSMZGIVKZBRYPB-QGZVFWFLSA-N 2 1 279.472 2.182 10 0 CEAEMP C[NH+](C)CCCC[N@@H+]1CCN[C@@H](C2CCCCC2)C1 ZINC000086146704 179238371 /nfs/dbraw/zinc/23/83/71/179238371.db2.gz WYZWHCMNZPKWDZ-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCN[C@@H](C2CCCCC2)C1 ZINC000086146704 179238373 /nfs/dbraw/zinc/23/83/73/179238373.db2.gz WYZWHCMNZPKWDZ-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH2+][C@](C)(c2ccccc2)C1 ZINC000086145808 179238424 /nfs/dbraw/zinc/23/84/24/179238424.db2.gz WNEADCUYTFEVGM-ROUUACIJSA-N 2 1 287.451 2.291 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086172546 179244129 /nfs/dbraw/zinc/24/41/29/179244129.db2.gz OOGRVYDUIZSAOC-BRWVUGGUSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086174277 179245931 /nfs/dbraw/zinc/24/59/31/179245931.db2.gz DWEYKGVHHLCIQN-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086174277 179245934 /nfs/dbraw/zinc/24/59/34/179245934.db2.gz DWEYKGVHHLCIQN-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223184 179251678 /nfs/dbraw/zinc/25/16/78/179251678.db2.gz VZGGZBNVCIBAJF-OWCLPIDISA-N 2 1 281.488 2.283 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259226 179258258 /nfs/dbraw/zinc/25/82/58/179258258.db2.gz OLRRCYQUADKSIX-DJIMGWMZSA-N 2 1 279.472 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259202 179258468 /nfs/dbraw/zinc/25/84/68/179258468.db2.gz YMFFJVNNIPVYDS-HYVNUMGLSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259590 179258665 /nfs/dbraw/zinc/25/86/65/179258665.db2.gz OVCHMINBZTYZQS-UAGQMJEPSA-N 2 1 277.456 2.076 10 0 CEAEMP C[C@@H]1CN[C@@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258976 179256360 /nfs/dbraw/zinc/25/63/60/179256360.db2.gz JQOWBEIKTRDVAT-CRAIPNDOSA-N 2 1 287.451 2.363 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086293317 179266104 /nfs/dbraw/zinc/26/61/04/179266104.db2.gz CTNONUQHTWWCJL-KRWDZBQOSA-N 2 1 275.440 2.365 10 0 CEAEMP C[NH+](C)CCCCN1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000086293317 179266105 /nfs/dbraw/zinc/26/61/05/179266105.db2.gz CTNONUQHTWWCJL-KRWDZBQOSA-N 2 1 275.440 2.365 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086293292 179266521 /nfs/dbraw/zinc/26/65/21/179266521.db2.gz LLKLQNHNZRXTMU-AWEZNQCLSA-N 3 1 255.450 2.038 10 0 CEAEMP C[NH+](C)CCCCN1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086293292 179266523 /nfs/dbraw/zinc/26/65/23/179266523.db2.gz LLKLQNHNZRXTMU-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC1(CC)C[N@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293325 179267544 /nfs/dbraw/zinc/26/75/44/179267544.db2.gz CXWAAVLMNNQDTA-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC1(CC)C[N@@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293325 179267545 /nfs/dbraw/zinc/26/75/45/179267545.db2.gz CXWAAVLMNNQDTA-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296854 179268406 /nfs/dbraw/zinc/26/84/06/179268406.db2.gz HBVWXUYXKQMRAS-LBPRGKRZSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296854 179268407 /nfs/dbraw/zinc/26/84/07/179268407.db2.gz HBVWXUYXKQMRAS-LBPRGKRZSA-N 2 1 267.442 2.396 10 0 CEAEMP C[N@H+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1(C)C ZINC000086444164 179293462 /nfs/dbraw/zinc/29/34/62/179293462.db2.gz SFQVKIJHQHTXOG-JTQLQIEISA-N 2 1 280.441 2.010 10 0 CEAEMP Cc1[nH+]ccn1-c1ncccc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818663 179347507 /nfs/dbraw/zinc/34/75/07/179347507.db2.gz HPHMGXLFVHCRAE-CQSZACIVSA-N 2 1 285.395 2.472 10 0 CEAEMP Cc1[nH+]ccn1-c1ncccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086818663 179347510 /nfs/dbraw/zinc/34/75/10/179347510.db2.gz HPHMGXLFVHCRAE-CQSZACIVSA-N 2 1 285.395 2.472 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847743 179356074 /nfs/dbraw/zinc/35/60/74/179356074.db2.gz DHHJCQPZRQAUNF-IRXDYDNUSA-N 2 1 297.487 2.081 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847134 179356540 /nfs/dbraw/zinc/35/65/40/179356540.db2.gz GPLHQCASCGMYPX-QGZVFWFLSA-N 2 1 290.455 2.107 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846967 179357115 /nfs/dbraw/zinc/35/71/15/179357115.db2.gz NLJOORUQWZHPDJ-INIZCTEOSA-N 2 1 279.428 2.303 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835406 179349945 /nfs/dbraw/zinc/34/99/45/179349945.db2.gz YDFRJUGLDHLOFO-INIZCTEOSA-N 2 1 261.413 2.477 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CCCN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000086833518 179350173 /nfs/dbraw/zinc/35/01/73/179350173.db2.gz AFKYWLSLIOCZJL-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086836115 179350688 /nfs/dbraw/zinc/35/06/88/179350688.db2.gz YORHTTPCISKVFP-HNNXBMFYSA-N 2 1 290.407 2.422 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000086840387 179351660 /nfs/dbraw/zinc/35/16/60/179351660.db2.gz HZDXCMZGWILONL-HNNXBMFYSA-N 2 1 295.471 2.097 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCc2ccc(O)cc2)CC1 ZINC000086842471 179353206 /nfs/dbraw/zinc/35/32/06/179353206.db2.gz YXDOVANYQSPWMM-HNNXBMFYSA-N 2 1 262.397 2.399 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844149 179354455 /nfs/dbraw/zinc/35/44/55/179354455.db2.gz VUCGHDPLIFWBSC-ZNMIVQPWSA-N 2 1 254.418 2.144 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N(CC)[C@@H]2CCC[NH2+]C2)CC1 ZINC000086851101 179359305 /nfs/dbraw/zinc/35/93/05/179359305.db2.gz OBZKOEZJXUWICT-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CC1CCC(O)(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000087044468 179388349 /nfs/dbraw/zinc/38/83/49/179388349.db2.gz PPDXQJSZBMBUDG-KEPFICHZSA-N 2 1 268.445 2.246 10 0 CEAEMP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087088925 179393385 /nfs/dbraw/zinc/39/33/85/179393385.db2.gz XXWPKYGJJNNMPL-LSDHHAIUSA-N 2 1 268.445 2.392 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627039 179458472 /nfs/dbraw/zinc/45/84/72/179458472.db2.gz OVWWQPBQPVSKHW-CYBMUJFWSA-N 2 1 283.460 2.131 10 0 CEAEMP C[C@H]([NH3+])CCC[C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000087698913 179473023 /nfs/dbraw/zinc/47/30/23/179473023.db2.gz CJGXRAMMMYZREH-IHRRRGAJSA-N 2 1 295.427 2.152 10 0 CEAEMP COc1ccc(C[C@](C)(C[NH3+])[NH2+]C2CCCC2)cc1OC ZINC000087911888 179519403 /nfs/dbraw/zinc/51/94/03/179519403.db2.gz ZVELDNJDDOPICI-QGZVFWFLSA-N 2 1 292.423 2.496 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090567236 180006484 /nfs/dbraw/zinc/00/64/84/180006484.db2.gz NACKMPDFTKWHJQ-RWMBFGLXSA-N 2 1 294.361 2.275 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090567236 180006487 /nfs/dbraw/zinc/00/64/87/180006487.db2.gz NACKMPDFTKWHJQ-RWMBFGLXSA-N 2 1 294.361 2.275 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606677 180010976 /nfs/dbraw/zinc/01/09/76/180010976.db2.gz SYWWHXRSOCMWHB-KBPBESRZSA-N 2 1 268.788 2.136 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090876296 180052451 /nfs/dbraw/zinc/05/24/51/180052451.db2.gz KSHJWHXVGDUHQX-OWCLPIDISA-N 2 1 274.408 2.439 10 0 CEAEMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1Cc2ccccc2O1 ZINC000090878909 180053240 /nfs/dbraw/zinc/05/32/40/180053240.db2.gz FPMQIKWIAJHVLH-MRXNPFEDSA-N 2 1 274.408 2.312 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879174 180053343 /nfs/dbraw/zinc/05/33/43/180053343.db2.gz NSBSQJLYUMIKJN-FZMZJTMJSA-N 2 1 266.360 2.046 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893526 180054662 /nfs/dbraw/zinc/05/46/62/180054662.db2.gz WKCBLJBWOBGACM-DOMZBBRYSA-N 2 1 278.371 2.061 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893526 180054663 /nfs/dbraw/zinc/05/46/63/180054663.db2.gz WKCBLJBWOBGACM-DOMZBBRYSA-N 2 1 278.371 2.061 10 0 CEAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893381 180054896 /nfs/dbraw/zinc/05/48/96/180054896.db2.gz WHMUOKIZUJVLMO-AWEZNQCLSA-N 2 1 293.386 2.413 10 0 CEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894353 180056120 /nfs/dbraw/zinc/05/61/20/180056120.db2.gz XVIOOXIQYCTUKS-SLBVQIDZSA-N 2 1 290.382 2.059 10 0 CEAEMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900068 180059085 /nfs/dbraw/zinc/05/90/85/180059085.db2.gz DPDGEFPLCURRAO-RISCZKNCSA-N 2 1 280.799 2.314 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1csc(CC[NH3+])n1 ZINC000090958339 180074979 /nfs/dbraw/zinc/07/49/79/180074979.db2.gz XKWQRVVQKDKIDK-UHFFFAOYSA-N 2 1 285.457 2.281 10 0 CEAEMP CC(=O)Nc1ccsc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000090960468 180075674 /nfs/dbraw/zinc/07/56/74/180075674.db2.gz DVPGJLPLJAZNLH-JTQLQIEISA-N 2 1 269.414 2.136 10 0 CEAEMP CC(=O)Nc1ccccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000090962424 180077104 /nfs/dbraw/zinc/07/71/04/180077104.db2.gz OCBQZFZBNDSYJR-GFCCVEGCSA-N 2 1 263.385 2.075 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH2+]Cc1cncn1C1CC1 ZINC000091275894 180118569 /nfs/dbraw/zinc/11/85/69/180118569.db2.gz YSJPZUVECVJTKN-UHFFFAOYSA-N 2 1 264.417 2.428 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275385 180118628 /nfs/dbraw/zinc/11/86/28/180118628.db2.gz YWNXTESULCNGIY-IUODEOHRSA-N 2 1 262.401 2.338 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)CC[C@@H]1CSCC[NH2+]1 ZINC000091292161 180123751 /nfs/dbraw/zinc/12/37/51/180123751.db2.gz XEZRKSHRHPMULJ-CYBMUJFWSA-N 2 1 274.474 2.219 10 0 CEAEMP C[C@H](CCC[C@H](C)[NH3+])C[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091394837 180146235 /nfs/dbraw/zinc/14/62/35/180146235.db2.gz FKKDTVOEFVEYEA-ILXRZTDVSA-N 2 1 255.450 2.166 10 0 CEAEMP C[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCO)C1CCCCC1 ZINC000091403844 180147026 /nfs/dbraw/zinc/14/70/26/180147026.db2.gz YFZINGGHMLPKJA-ZDUSSCGKSA-N 2 1 256.434 2.248 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000091404614 180147181 /nfs/dbraw/zinc/14/71/81/180147181.db2.gz VCGRTEZFQDQUAK-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCCC1 ZINC000091565070 180193765 /nfs/dbraw/zinc/19/37/65/180193765.db2.gz UPUIZLWKTYJOKU-HNNXBMFYSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@](C)(CC)[NH+](C)C ZINC000091571374 180196271 /nfs/dbraw/zinc/19/62/71/180196271.db2.gz OFTOORVXQSAZHK-HOTGVXAUSA-N 2 1 280.460 2.233 10 0 CEAEMP CC[NH2+][C@@H](Cc1ncnn1CC)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607583 180204419 /nfs/dbraw/zinc/20/44/19/180204419.db2.gz ITJHFITWVHKMQG-HOCLYGCPSA-N 2 1 293.459 2.083 10 0 CEAEMP CCCn1ncnc1C[C@@H]([NH2+]C)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091606871 180204650 /nfs/dbraw/zinc/20/46/50/180204650.db2.gz RYKOOCJYUZPBTO-GDBMZVCRSA-N 2 1 293.459 2.083 10 0 CEAEMP CCn1cc(C[C@@H]([NH3+])[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605034 180204657 /nfs/dbraw/zinc/20/46/57/180204657.db2.gz CZDYLQNQVZCHMR-HUUCEWRRSA-N 2 1 264.417 2.037 10 0 CEAEMP CC[C@](C)([C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609642 180204978 /nfs/dbraw/zinc/20/49/78/180204978.db2.gz HHGHCIRONNKFGQ-NVXWUHKLSA-N 2 1 290.455 2.449 10 0 CEAEMP COc1cccc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1 ZINC000091534074 180181387 /nfs/dbraw/zinc/18/13/87/180181387.db2.gz VCARLHWRXVPJFN-HNNXBMFYSA-N 2 1 262.397 2.439 10 0 CEAEMP CCn1nc(C)cc1C[C@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 ZINC000091534697 180182415 /nfs/dbraw/zinc/18/24/15/180182415.db2.gz FOOXXFYHGJKPHX-HNNXBMFYSA-N 2 1 278.444 2.216 10 0 CEAEMP CCn1ncnc1C[C@H]([NH2+]C)C(CC)(CC)[NH+]1CCCC1 ZINC000091635303 180211202 /nfs/dbraw/zinc/21/12/02/180211202.db2.gz DJHFODZMFLFZNV-AWEZNQCLSA-N 2 1 293.459 2.083 10 0 CEAEMP CC(C)Oc1ccc([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720276 180235813 /nfs/dbraw/zinc/23/58/13/180235813.db2.gz HNRFPSSRJRWJNL-OIISXLGYSA-N 2 1 290.407 2.337 10 0 CEAEMP CC(C)Oc1ccc([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720276 180235816 /nfs/dbraw/zinc/23/58/16/180235816.db2.gz HNRFPSSRJRWJNL-OIISXLGYSA-N 2 1 290.407 2.337 10 0 CEAEMP Cc1cc(C)cc(C[C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091720831 180236248 /nfs/dbraw/zinc/23/62/48/180236248.db2.gz MDARXSNBLWEMRB-IXDOHACOSA-N 2 1 274.408 2.036 10 0 CEAEMP CC[NH2+][C@H](Cc1ccsc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721795 180240431 /nfs/dbraw/zinc/24/04/31/180240431.db2.gz ITIOPNRZRALDPU-RBSFLKMASA-N 2 1 280.437 2.132 10 0 CEAEMP CC[NH2+][C@H](Cc1ccsc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721795 180240434 /nfs/dbraw/zinc/24/04/34/180240434.db2.gz ITIOPNRZRALDPU-RBSFLKMASA-N 2 1 280.437 2.132 10 0 CEAEMP CCC[N@@H+](Cc1ncnn1C(C)C)C1CCC([NH3+])CC1 ZINC000091852503 180272868 /nfs/dbraw/zinc/27/28/68/180272868.db2.gz DNWUGHBBMXAXBR-UHFFFAOYSA-N 2 1 279.432 2.341 10 0 CEAEMP CCN1CCC([N@@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849980 180271900 /nfs/dbraw/zinc/27/19/00/180271900.db2.gz JHBJPVQSUHEHHJ-UHFFFAOYSA-N 2 1 253.434 2.063 10 0 CEAEMP CC[N@H+](C1CCC([NH3+])CC1)C1CC[NH+](CC)CC1 ZINC000091849980 180271901 /nfs/dbraw/zinc/27/19/01/180271901.db2.gz JHBJPVQSUHEHHJ-UHFFFAOYSA-N 3 1 253.434 2.063 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)C1CC[NH+](CC)CC1 ZINC000091849980 180271904 /nfs/dbraw/zinc/27/19/04/180271904.db2.gz JHBJPVQSUHEHHJ-UHFFFAOYSA-N 3 1 253.434 2.063 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000091870650 180277093 /nfs/dbraw/zinc/27/70/93/180277093.db2.gz AOZKNBGJYUGTBV-JCYILVPMSA-N 2 1 276.424 2.357 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)NCC(C)C)CC1 ZINC000091870140 180277262 /nfs/dbraw/zinc/27/72/62/180277262.db2.gz ZRYRAIIYFVXWJK-UHFFFAOYSA-N 2 1 283.460 2.001 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2ccc(Cl)cc2[C@@H](C)[NH3+])C1 ZINC000092051235 180313343 /nfs/dbraw/zinc/31/33/43/180313343.db2.gz NVRYZSAIBLBKOQ-DGCLKSJQSA-N 2 1 298.814 2.459 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2ccc(Cl)cc2[C@@H](C)[NH3+])C1 ZINC000092051235 180313345 /nfs/dbraw/zinc/31/33/45/180313345.db2.gz NVRYZSAIBLBKOQ-DGCLKSJQSA-N 2 1 298.814 2.459 10 0 CEAEMP CC[NH2+]Cc1cn(C[C@H]2C[N@@H+](C)CCO2)c2ccccc12 ZINC000092060176 180315319 /nfs/dbraw/zinc/31/53/19/180315319.db2.gz GDMFYCOTVDJBTC-OAHLLOKOSA-N 2 1 287.407 2.081 10 0 CEAEMP CC[NH2+]Cc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003688 180304206 /nfs/dbraw/zinc/30/42/06/180304206.db2.gz GVENNZOYCOWBSQ-CABCVRRESA-N 2 1 277.412 2.058 10 0 CEAEMP CC(C)[NH2+]Cc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003614 180304482 /nfs/dbraw/zinc/30/44/82/180304482.db2.gz OPQYXSCEPWBTRJ-CVEARBPZSA-N 2 1 291.439 2.446 10 0 CEAEMP C[NH2+]Cc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003544 180304588 /nfs/dbraw/zinc/30/45/88/180304588.db2.gz NOWXRJKSAPFQTG-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000092003544 180304589 /nfs/dbraw/zinc/30/45/89/180304589.db2.gz NOWXRJKSAPFQTG-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000092003544 180304591 /nfs/dbraw/zinc/30/45/91/180304591.db2.gz NOWXRJKSAPFQTG-SJORKVTESA-N 2 1 273.424 2.075 10 0 CEAEMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)n1-c1ccccc1 ZINC000092128857 180329873 /nfs/dbraw/zinc/32/98/73/180329873.db2.gz LQOQWMNKLRMCFG-HNNXBMFYSA-N 2 1 284.407 2.222 10 0 CEAEMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)n1-c1ccccc1 ZINC000092128857 180329875 /nfs/dbraw/zinc/32/98/75/180329875.db2.gz LQOQWMNKLRMCFG-HNNXBMFYSA-N 2 1 284.407 2.222 10 0 CEAEMP C[C@H]1C[N@H+](CCc2[nH]c3ccc(N)cc3[nH+]2)C[C@H]1C ZINC000092080482 180318486 /nfs/dbraw/zinc/31/84/86/180318486.db2.gz NHDNCVWVBFRGDJ-PHIMTYICSA-N 2 1 258.369 2.275 10 0 CEAEMP C[C@H]1C[N@@H+](CCc2[nH]c3ccc(N)cc3[nH+]2)C[C@H]1C ZINC000092080482 180318487 /nfs/dbraw/zinc/31/84/87/180318487.db2.gz NHDNCVWVBFRGDJ-PHIMTYICSA-N 2 1 258.369 2.275 10 0 CEAEMP CC[C@H]1C[N@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307402 180360389 /nfs/dbraw/zinc/36/03/89/180360389.db2.gz ICIJICXUKRXHAW-KGLIPLIRSA-N 2 1 260.381 2.237 10 0 CEAEMP CC[C@H]1C[N@@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307402 180360391 /nfs/dbraw/zinc/36/03/91/180360391.db2.gz ICIJICXUKRXHAW-KGLIPLIRSA-N 2 1 260.381 2.237 10 0 CEAEMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300582 180358437 /nfs/dbraw/zinc/35/84/37/180358437.db2.gz LNMFXYCNZVTKFQ-KGLIPLIRSA-N 2 1 262.397 2.483 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092324906 180362538 /nfs/dbraw/zinc/36/25/38/180362538.db2.gz QVZTUNMDRCOANQ-HNNXBMFYSA-N 2 1 278.444 2.391 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092324906 180362539 /nfs/dbraw/zinc/36/25/39/180362539.db2.gz QVZTUNMDRCOANQ-HNNXBMFYSA-N 2 1 278.444 2.391 10 0 CEAEMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CCC[NH2+]C1 ZINC000110942660 186335120 /nfs/dbraw/zinc/33/51/20/186335120.db2.gz NEJOSDPZSARARS-AWEZNQCLSA-N 2 1 277.412 2.281 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000110977965 186338682 /nfs/dbraw/zinc/33/86/82/186338682.db2.gz PSMZTGQGQLOPKQ-CZUORRHYSA-N 2 1 279.403 2.017 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705347 186313919 /nfs/dbraw/zinc/31/39/19/186313919.db2.gz UJLDCNCYDYXQKQ-HIFRSBDPSA-N 2 1 279.428 2.392 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703909 186314163 /nfs/dbraw/zinc/31/41/63/186314163.db2.gz MAJWDXOOFLQURM-FVQBIDKESA-N 2 1 261.413 2.101 10 0 CEAEMP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110704803 186314627 /nfs/dbraw/zinc/31/46/27/186314627.db2.gz XVDGCGFPXWUZNT-OCCSQVGLSA-N 2 1 265.401 2.002 10 0 CEAEMP C[C@H](c1ccccc1)[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711745 186315240 /nfs/dbraw/zinc/31/52/40/186315240.db2.gz NSPSFPRERFUEAK-GDBMZVCRSA-N 2 1 275.440 2.143 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CC[N@H+]1C ZINC000110710352 186316009 /nfs/dbraw/zinc/31/60/09/186316009.db2.gz XHMAAWSTGSBXQB-RDJZCZTQSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[N@H+]1CCN(CC[NH2+]Cc2sccc2C)C[C@@H]1C ZINC000110756885 186319684 /nfs/dbraw/zinc/31/96/84/186319684.db2.gz QGMDRAHFYUGECO-AWEZNQCLSA-N 2 1 281.469 2.172 10 0 CEAEMP CC[C@H]1CN(CC[NH2+][C@@H](C)c2cccs2)CC[N@H+]1C ZINC000110757096 186319876 /nfs/dbraw/zinc/31/98/76/186319876.db2.gz AYEXOCPFNBOFFY-KBPBESRZSA-N 2 1 281.469 2.425 10 0 CEAEMP C[C@@H](C[NH2+]C1CCCCC1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757698 186321147 /nfs/dbraw/zinc/32/11/47/186321147.db2.gz JLXBDPIOPJCJMH-AWEZNQCLSA-N 2 1 267.461 2.323 10 0 CEAEMP C[N@H+]1CCN(CC(C)(C)C[NH2+]C(C)(C)C)CC1(C)C ZINC000110747347 186321548 /nfs/dbraw/zinc/32/15/48/186321548.db2.gz QYRQSRDYMBUXFC-UHFFFAOYSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCN(Cc2ccoc2C[NH2+]C(C)C)C[C@@H]1C ZINC000110752573 186321697 /nfs/dbraw/zinc/32/16/97/186321697.db2.gz MALMWJQMOXOCGI-AWEZNQCLSA-N 2 1 279.428 2.304 10 0 CEAEMP CC(C)C[NH2+]Cc1ccoc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000110751549 186321822 /nfs/dbraw/zinc/32/18/22/186321822.db2.gz XZYRGCWWRJOBLO-AWEZNQCLSA-N 2 1 279.428 2.161 10 0 CEAEMP CC[N@H+]1CCN(c2ncc(C[NH2+]C(C)C)s2)C[C@@H]1C ZINC000110758501 186321944 /nfs/dbraw/zinc/32/19/44/186321944.db2.gz AVLJTJAJFQESRU-LBPRGKRZSA-N 2 1 282.457 2.172 10 0 CEAEMP C[C@@H]([NH3+])c1cccc(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110770458 186323236 /nfs/dbraw/zinc/32/32/36/186323236.db2.gz UZKIXDFCQXEFPW-GFCCVEGCSA-N 2 1 290.411 2.264 10 0 CEAEMP C[C@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@@H+]1C ZINC000110760003 186323245 /nfs/dbraw/zinc/32/32/45/186323245.db2.gz MCTPDLUAOZRNMJ-JTQLQIEISA-N 2 1 282.457 2.040 10 0 CEAEMP C[C@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@H+]1C ZINC000110760003 186323246 /nfs/dbraw/zinc/32/32/46/186323246.db2.gz MCTPDLUAOZRNMJ-JTQLQIEISA-N 2 1 282.457 2.040 10 0 CEAEMP CCOCC[N@@H+](CC)CCCOc1ccccc1C[NH3+] ZINC000111117235 186355376 /nfs/dbraw/zinc/35/53/76/186355376.db2.gz YHUOQOVAXFFVON-UHFFFAOYSA-N 2 1 280.412 2.273 10 0 CEAEMP C[N@@H+](CCC[C@@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000111179419 186366085 /nfs/dbraw/zinc/36/60/85/186366085.db2.gz NSVWLFGPOOISOI-AWEZNQCLSA-N 2 1 254.418 2.125 10 0 CEAEMP CC(C)C[NH2+]C[C@]1(C[N@@H+](C)CC2CC2)CCCOC1 ZINC000111326070 186398295 /nfs/dbraw/zinc/39/82/95/186398295.db2.gz JOJZOJUESQFREF-INIZCTEOSA-N 2 1 268.445 2.371 10 0 CEAEMP CO[C@H]1C[N@H+](CCCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364368 351713036 /nfs/dbraw/zinc/71/30/36/351713036.db2.gz UZVQLTMRCARUCM-HZPDHXFCSA-N 2 1 262.397 2.057 10 0 CEAEMP CO[C@H]1C[N@@H+](CCCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364368 351713038 /nfs/dbraw/zinc/71/30/38/351713038.db2.gz UZVQLTMRCARUCM-HZPDHXFCSA-N 2 1 262.397 2.057 10 0 CEAEMP Cc1cc[nH+]c(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000630530125 351774066 /nfs/dbraw/zinc/77/40/66/351774066.db2.gz YKGXROBLCQJEMN-WDEREUQCSA-N 2 1 273.302 2.354 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cncn3C)C2)[nH+]1 ZINC000177034718 189022275 /nfs/dbraw/zinc/02/22/75/189022275.db2.gz RNTIWNVYXKESSP-AWEZNQCLSA-N 2 1 285.395 2.058 10 0 CEAEMP CCCOC(=O)[C@H](C)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119288030 365248751 /nfs/dbraw/zinc/24/87/51/365248751.db2.gz WCALIYAFFLMKNT-KBPBESRZSA-N 2 1 293.411 2.424 10 0 CEAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121096705 365523797 /nfs/dbraw/zinc/52/37/97/365523797.db2.gz HVYDIVDXUORYME-CYBMUJFWSA-N 2 1 280.412 2.113 10 0 CEAEMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840537 367581580 /nfs/dbraw/zinc/58/15/80/367581580.db2.gz TUBBPHJHEKHSPY-PWSUYJOCSA-N 2 1 268.788 2.375 10 0 CEAEMP COc1ccc(Cl)cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840537 367581588 /nfs/dbraw/zinc/58/15/88/367581588.db2.gz TUBBPHJHEKHSPY-PWSUYJOCSA-N 2 1 268.788 2.375 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000631843078 367586123 /nfs/dbraw/zinc/58/61/23/367586123.db2.gz JDOLHCJQPWLNSV-PWSUYJOCSA-N 2 1 296.798 2.138 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000631843078 367586129 /nfs/dbraw/zinc/58/61/29/367586129.db2.gz JDOLHCJQPWLNSV-PWSUYJOCSA-N 2 1 296.798 2.138 10 0 CEAEMP C[C@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631837693 367576778 /nfs/dbraw/zinc/57/67/78/367576778.db2.gz WFIHSTUJTNAMJS-RYUDHWBXSA-N 2 1 268.401 2.444 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178982730 368319019 /nfs/dbraw/zinc/31/90/19/368319019.db2.gz RPJIBFHLEFGALJ-INIZCTEOSA-N 2 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)[nH+]1 ZINC000178982730 368319025 /nfs/dbraw/zinc/31/90/25/368319025.db2.gz RPJIBFHLEFGALJ-INIZCTEOSA-N 3 1 288.439 2.123 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)[nH+]1 ZINC000178982730 368319030 /nfs/dbraw/zinc/31/90/30/368319030.db2.gz RPJIBFHLEFGALJ-INIZCTEOSA-N 3 1 288.439 2.123 10 0 CEAEMP CCC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000190242600 369607349 /nfs/dbraw/zinc/60/73/49/369607349.db2.gz FOYMGMWTLYYURT-CQSZACIVSA-N 2 1 275.396 2.493 10 0 CEAEMP CCC(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000190242600 369607355 /nfs/dbraw/zinc/60/73/55/369607355.db2.gz FOYMGMWTLYYURT-CQSZACIVSA-N 2 1 275.396 2.493 10 0 CEAEMP C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000261549259 371643128 /nfs/dbraw/zinc/64/31/28/371643128.db2.gz OKYAYGMRFVEIPI-NXHRZFHOSA-N 2 1 287.451 2.381 10 0 CEAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549259 371643135 /nfs/dbraw/zinc/64/31/35/371643135.db2.gz OKYAYGMRFVEIPI-NXHRZFHOSA-N 2 1 287.451 2.381 10 0 CEAEMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261579779 371659182 /nfs/dbraw/zinc/65/91/82/371659182.db2.gz DXLJHONWXHRZEF-CFVMTHIKSA-N 2 1 260.381 2.254 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000261765180 371723153 /nfs/dbraw/zinc/72/31/53/371723153.db2.gz OCTVSOGPCIZWNQ-HRCADAONSA-N 2 1 267.376 2.404 10 0 CEAEMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822985 371744336 /nfs/dbraw/zinc/74/43/36/371744336.db2.gz ILSWYHPKGUPKSV-BMFZPTHFSA-N 2 1 276.449 2.414 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000261844823 371747895 /nfs/dbraw/zinc/74/78/95/371747895.db2.gz WBETWCVKQSJNIF-FPMFFAJLSA-N 2 1 282.334 2.457 10 0 CEAEMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262027620 371802594 /nfs/dbraw/zinc/80/25/94/371802594.db2.gz XEUWXLACLBZTBR-RCCFBDPRSA-N 2 1 288.435 2.284 10 0 CEAEMP CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262033284 371806368 /nfs/dbraw/zinc/80/63/68/371806368.db2.gz XSQRWLALOGRNEL-KURKYZTESA-N 2 1 288.435 2.496 10 0 CEAEMP CCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262051279 371812440 /nfs/dbraw/zinc/81/24/40/371812440.db2.gz ZQIYJRDOFLSIBJ-KFWWJZLASA-N 2 1 266.429 2.313 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000389868487 375307875 /nfs/dbraw/zinc/30/78/75/375307875.db2.gz NHIZZSXNIYBBCZ-SPUZQDLCSA-N 2 1 287.451 2.224 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000389868487 375307884 /nfs/dbraw/zinc/30/78/84/375307884.db2.gz NHIZZSXNIYBBCZ-SPUZQDLCSA-N 2 1 287.451 2.224 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1C ZINC000311821740 376688669 /nfs/dbraw/zinc/68/86/69/376688669.db2.gz NITIYLCIKWRCLU-RYUDHWBXSA-N 2 1 266.433 2.368 10 0 CEAEMP CC(C)[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000090821839 184618290 /nfs/dbraw/zinc/61/82/90/184618290.db2.gz OBOLGLAEJJLTTF-HNNXBMFYSA-N 2 1 268.376 2.007 10 0 CEAEMP CC(C)[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000090821839 184618291 /nfs/dbraw/zinc/61/82/91/184618291.db2.gz OBOLGLAEJJLTTF-HNNXBMFYSA-N 2 1 268.376 2.007 10 0 CEAEMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@@]2(CO)[NH2+]C2CC2)C1 ZINC000093617176 184695796 /nfs/dbraw/zinc/69/57/96/184695796.db2.gz ABXKGQIMIKFVSW-YCPHGPKFSA-N 2 1 266.429 2.002 10 0 CEAEMP CCCCCC[C@](C)(C[NH3+])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094458721 184804235 /nfs/dbraw/zinc/80/42/35/184804235.db2.gz HWUUDTHBMUPCIX-HZPDHXFCSA-N 2 1 267.461 2.454 10 0 CEAEMP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000091402479 135068758 /nfs/dbraw/zinc/06/87/58/135068758.db2.gz ZAAUKBOGWIJDCI-CYBMUJFWSA-N 2 1 279.403 2.321 10 0 CEAEMP COc1ccccc1N1CC[NH+](CCC2([NH3+])CCC2)CC1 ZINC000094295820 135085988 /nfs/dbraw/zinc/08/59/88/135085988.db2.gz SGUFGCJQNFFYNF-UHFFFAOYSA-N 2 1 289.423 2.089 10 0 CEAEMP C[NH2+]Cc1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000094443214 135088952 /nfs/dbraw/zinc/08/89/52/135088952.db2.gz SHJJCRRQBMPTKP-CYBMUJFWSA-N 2 1 294.830 2.129 10 0 CEAEMP C[NH2+]Cc1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000094443214 135088953 /nfs/dbraw/zinc/08/89/53/135088953.db2.gz SHJJCRRQBMPTKP-CYBMUJFWSA-N 2 1 294.830 2.129 10 0 CEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000158247604 395041798 /nfs/dbraw/zinc/04/17/98/395041798.db2.gz LWUGTRHGNRWOFI-QWRGUYRKSA-N 2 1 291.317 2.006 10 0 CEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000158247604 395041799 /nfs/dbraw/zinc/04/17/99/395041799.db2.gz LWUGTRHGNRWOFI-QWRGUYRKSA-N 2 1 291.317 2.006 10 0 CEAEMP [NH3+][C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000307019030 400337657 /nfs/dbraw/zinc/33/76/57/400337657.db2.gz RPYQUPNCZJVRGR-HRBLRVMOSA-N 2 1 285.435 2.215 10 0 CEAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000191804991 153187770 /nfs/dbraw/zinc/18/77/70/153187770.db2.gz KNFSBKFLGCABRO-MRXNPFEDSA-N 2 1 278.444 2.388 10 0 CEAEMP C[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159889129 162319993 /nfs/dbraw/zinc/31/99/93/162319993.db2.gz AVOPAYDGRAULLK-SNVBAGLBSA-N 2 1 284.201 2.280 10 0 CEAEMP C[N@H+]1CCCN(C2(C[NH3+])CCCCCCC2)CC1 ZINC000020217739 171079502 /nfs/dbraw/zinc/07/95/02/171079502.db2.gz KKWMNWJUMUNBRN-UHFFFAOYSA-N 2 1 253.434 2.066 10 0 CEAEMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000022152422 171359537 /nfs/dbraw/zinc/35/95/37/171359537.db2.gz DVFVGOOQZMXYSG-OLZOCXBDSA-N 2 1 275.396 2.204 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000022154721 171361724 /nfs/dbraw/zinc/36/17/24/171361724.db2.gz OFRKJKUYWATLSY-OLZOCXBDSA-N 2 1 275.396 2.204 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000022154777 171362070 /nfs/dbraw/zinc/36/20/70/171362070.db2.gz AAQNNPSJVAEWLA-STQMWFEESA-N 2 1 275.396 2.347 10 0 CEAEMP CC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098048 174112834 /nfs/dbraw/zinc/11/28/34/174112834.db2.gz RKFMIEFCFBFHFB-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098048 174112835 /nfs/dbraw/zinc/11/28/35/174112835.db2.gz RKFMIEFCFBFHFB-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP CCN1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098048 174112836 /nfs/dbraw/zinc/11/28/36/174112836.db2.gz RKFMIEFCFBFHFB-GJZGRUSLSA-N 2 1 267.461 2.181 10 0 CEAEMP c1cn(CCC[NH2+][C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000043325027 175007026 /nfs/dbraw/zinc/00/70/26/175007026.db2.gz NBWHECLTWIOJPT-OAHLLOKOSA-N 2 1 257.381 2.373 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810138 175109730 /nfs/dbraw/zinc/10/97/30/175109730.db2.gz VPEGWCBXVVDMCA-SOUVJXGZSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810138 175109732 /nfs/dbraw/zinc/10/97/32/175109732.db2.gz VPEGWCBXVVDMCA-SOUVJXGZSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818465 175112872 /nfs/dbraw/zinc/11/28/72/175112872.db2.gz AVGZFMWQRXJICZ-QZTJIDSGSA-N 2 1 287.451 2.290 10 0 CEAEMP CCC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000043818523 175113398 /nfs/dbraw/zinc/11/33/98/175113398.db2.gz MSJJIZPSCVZGGH-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCCCC[N@H+](C)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043889334 175117573 /nfs/dbraw/zinc/11/75/73/175117573.db2.gz JOGLNMORHFMIBT-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CCCCC[N@@H+](C)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043889334 175117574 /nfs/dbraw/zinc/11/75/74/175117574.db2.gz JOGLNMORHFMIBT-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073257 175302570 /nfs/dbraw/zinc/30/25/70/175302570.db2.gz ZRNNDKIDIJSTHT-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP CCCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135067 175312403 /nfs/dbraw/zinc/31/24/03/175312403.db2.gz WLKYMAHIXZXSOA-LSDHHAIUSA-N 2 1 283.460 2.001 10 0 CEAEMP CCCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045135067 175312404 /nfs/dbraw/zinc/31/24/04/175312404.db2.gz WLKYMAHIXZXSOA-LSDHHAIUSA-N 2 1 283.460 2.001 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000045171442 175321111 /nfs/dbraw/zinc/32/11/11/175321111.db2.gz RQRRCUOPBLFXED-FZMZJTMJSA-N 2 1 276.428 2.172 10 0 CEAEMP CCCC[N@H+](C)CCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045368384 175363725 /nfs/dbraw/zinc/36/37/25/175363725.db2.gz ULNSQZUECALPEF-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045368384 175363726 /nfs/dbraw/zinc/36/37/26/175363726.db2.gz ULNSQZUECALPEF-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@H+](CC)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045370666 175364362 /nfs/dbraw/zinc/36/43/62/175364362.db2.gz ZWKSUIRMVHKXDI-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]C)C(=O)OCC ZINC000045370666 175364363 /nfs/dbraw/zinc/36/43/63/175364363.db2.gz ZWKSUIRMVHKXDI-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH3+])C(=O)OCC ZINC000045370637 175364456 /nfs/dbraw/zinc/36/44/56/175364456.db2.gz KTWMXUFYDBQYLJ-AWEZNQCLSA-N 2 1 258.406 2.169 10 0 CEAEMP CC[NH2+][C@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375925 175366114 /nfs/dbraw/zinc/36/61/14/175366114.db2.gz DTSPFIYUBPKMQY-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC(C)C ZINC000045381749 175370057 /nfs/dbraw/zinc/37/00/57/175370057.db2.gz BDLKOYKTFRXQRP-MRXNPFEDSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)CC(C)C)C(N)=O ZINC000045381722 175370352 /nfs/dbraw/zinc/37/03/52/175370352.db2.gz NLTWYSABAKSWEM-INIZCTEOSA-N 2 1 285.476 2.378 10 0 CEAEMP CCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382399 175370976 /nfs/dbraw/zinc/37/09/76/175370976.db2.gz LPYXHVNHDBROLN-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000045382399 175370977 /nfs/dbraw/zinc/37/09/77/175370977.db2.gz LPYXHVNHDBROLN-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CCC)C(C)C)C(N)=O ZINC000045386047 175372138 /nfs/dbraw/zinc/37/21/38/175372138.db2.gz WBENEIXGQISQQD-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045387992 175373722 /nfs/dbraw/zinc/37/37/22/175373722.db2.gz NBIDKSLPNNIUFY-HNNXBMFYSA-N 2 1 271.449 2.132 10 0 CEAEMP Cc1cc[nH+]c(N[C@@H](CC(C)C)C[NH+](C)C)c1N ZINC000070496412 175957321 /nfs/dbraw/zinc/95/73/21/175957321.db2.gz YTQREAYPEGSVBI-LBPRGKRZSA-N 2 1 250.390 2.360 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H](CN[C@@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277293 415671189 /nfs/dbraw/zinc/67/11/89/415671189.db2.gz YKSYOXBOQXABPF-ZWKOTPCHSA-N 2 1 299.462 2.240 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161473 176046488 /nfs/dbraw/zinc/04/64/88/176046488.db2.gz XFPSLLVWCQRCLS-XGUBFFRZSA-N 2 1 254.418 2.393 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000071161473 176046490 /nfs/dbraw/zinc/04/64/90/176046490.db2.gz XFPSLLVWCQRCLS-XGUBFFRZSA-N 2 1 254.418 2.393 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188097 176061308 /nfs/dbraw/zinc/06/13/08/176061308.db2.gz OKGCUUBLTOPYFF-UMVBOHGHSA-N 2 1 281.469 2.410 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000071187941 176061713 /nfs/dbraw/zinc/06/17/13/176061713.db2.gz DURMEROFAILKOS-DOMZBBRYSA-N 2 1 281.831 2.223 10 0 CEAEMP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(N)c2c[nH+]ccc21 ZINC000071188497 176062555 /nfs/dbraw/zinc/06/25/55/176062555.db2.gz LJAKVBPUNBMEGD-GFCCVEGCSA-N 2 1 270.380 2.205 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(N)c2c[nH+]ccc21 ZINC000071188497 176062556 /nfs/dbraw/zinc/06/25/56/176062556.db2.gz LJAKVBPUNBMEGD-GFCCVEGCSA-N 2 1 270.380 2.205 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188114 176062876 /nfs/dbraw/zinc/06/28/76/176062876.db2.gz QQXUANWICXTBTG-XOKHGSTOSA-N 2 1 293.430 2.488 10 0 CEAEMP CCC[C@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188221 176063201 /nfs/dbraw/zinc/06/32/01/176063201.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 2 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188221 176063203 /nfs/dbraw/zinc/06/32/03/176063203.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188221 176063204 /nfs/dbraw/zinc/06/32/04/176063204.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188221 176063205 /nfs/dbraw/zinc/06/32/05/176063205.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188221 176063207 /nfs/dbraw/zinc/06/32/07/176063207.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 3 1 281.488 2.414 10 0 CEAEMP CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188618 176063487 /nfs/dbraw/zinc/06/34/87/176063487.db2.gz NXFQYKWICBSDKC-NVXWUHKLSA-N 2 1 275.440 2.132 10 0 CEAEMP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C)cc1C ZINC000071188854 176063746 /nfs/dbraw/zinc/06/37/46/176063746.db2.gz UHIFMSCWUDFMDA-SJLPKXTDSA-N 2 1 289.467 2.447 10 0 CEAEMP Cc1ccc([C@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190635 176068667 /nfs/dbraw/zinc/06/86/67/176068667.db2.gz JCXQXWZLTWSLCL-ZMSDIMECSA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190635 176068668 /nfs/dbraw/zinc/06/86/68/176068668.db2.gz JCXQXWZLTWSLCL-ZMSDIMECSA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@H](O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190635 176068669 /nfs/dbraw/zinc/06/86/69/176068669.db2.gz JCXQXWZLTWSLCL-ZMSDIMECSA-N 2 1 276.424 2.300 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191383 176069884 /nfs/dbraw/zinc/06/98/84/176069884.db2.gz YSZJRHVRDJCJBL-IKGGRYGDSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH2+]Cc1cnc(N(C)C[C@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC000071191745 176071049 /nfs/dbraw/zinc/07/10/49/176071049.db2.gz OVFFCNFQQLUAPW-LBPRGKRZSA-N 2 1 296.846 2.232 10 0 CEAEMP CC(C)[NH2+]Cc1ccoc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191933 176072791 /nfs/dbraw/zinc/07/27/91/176072791.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 2 1 279.428 2.161 10 0 CEAEMP CCC[NH2+][C@@H]1CCN(CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071198139 176077037 /nfs/dbraw/zinc/07/70/37/176077037.db2.gz MLUBGTVNDIRPMN-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+]CCCCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000071290011 176110649 /nfs/dbraw/zinc/11/06/49/176110649.db2.gz QDPJTXMEJRITSQ-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP C[NH2+]CCCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000071290011 176110651 /nfs/dbraw/zinc/11/06/51/176110651.db2.gz QDPJTXMEJRITSQ-MRXNPFEDSA-N 2 1 267.461 2.326 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1cc[nH+]c1C ZINC000071346526 176132125 /nfs/dbraw/zinc/13/21/25/176132125.db2.gz CEZQDYNXXHJGTI-LSDHHAIUSA-N 2 1 278.444 2.290 10 0 CEAEMP [NH3+][C@@H](CCC[N@@H+]1CCn2ccnc2C1)c1ccccc1 ZINC000071402088 176153938 /nfs/dbraw/zinc/15/39/38/176153938.db2.gz RKCPKTUCQQQHLC-HNNXBMFYSA-N 2 1 270.380 2.179 10 0 CEAEMP [NH3+][C@@H](CCC[N@H+]1CCn2ccnc2C1)c1ccccc1 ZINC000071402088 176153939 /nfs/dbraw/zinc/15/39/39/176153939.db2.gz RKCPKTUCQQQHLC-HNNXBMFYSA-N 2 1 270.380 2.179 10 0 CEAEMP Cc1[nH+]ccn1CCOc1ccc(C)cc1CC[NH3+] ZINC000071411488 176156967 /nfs/dbraw/zinc/15/69/67/176156967.db2.gz DCDLTYGSGIJMLU-UHFFFAOYSA-N 2 1 259.353 2.080 10 0 CEAEMP CN(CC(C)(C)[NH3+])c1cc[nH+]cc1Br ZINC000656608928 415784404 /nfs/dbraw/zinc/78/44/04/415784404.db2.gz OXMBVOWPWNPAGK-UHFFFAOYSA-N 2 1 258.163 2.018 10 0 CEAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000390555421 262216345 /nfs/dbraw/zinc/21/63/45/262216345.db2.gz LFUUICPNYHESCS-IRXDYDNUSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000186269880 270249573 /nfs/dbraw/zinc/24/95/73/270249573.db2.gz GOZRDEUDFMQGML-DZGCQCFKSA-N 2 1 254.418 2.002 10 0 CEAEMP CC1(C)CN(c2cc[nH+]cc2Br)CC[C@@H]1[NH3+] ZINC000261585725 275850946 /nfs/dbraw/zinc/85/09/46/275850946.db2.gz QOROONLERRQEQS-NSHDSACASA-N 2 1 284.201 2.408 10 0 CEAEMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093490932 279322777 /nfs/dbraw/zinc/32/27/77/279322777.db2.gz HCXWHWKMMJJCEV-VVLHAWIVSA-N 2 1 279.472 2.371 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093490932 279322778 /nfs/dbraw/zinc/32/27/78/279322778.db2.gz HCXWHWKMMJJCEV-VVLHAWIVSA-N 2 1 279.472 2.371 10 0 CEAEMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272847 313085920 /nfs/dbraw/zinc/08/59/20/313085920.db2.gz MZURLLMHXHEIDL-NUJGCVRESA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272847 313085922 /nfs/dbraw/zinc/08/59/22/313085922.db2.gz MZURLLMHXHEIDL-NUJGCVRESA-N 2 1 289.467 2.485 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+](CC)[C@H](C)COC)c1 ZINC000052504906 520017576 /nfs/dbraw/zinc/01/75/76/520017576.db2.gz CGQMMFHJZLBLEO-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[N@@H+](CCOC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560304 521135639 /nfs/dbraw/zinc/13/56/39/521135639.db2.gz BDEDAVNANWKOJH-ILXRZTDVSA-N 2 1 256.434 2.354 10 0 CEAEMP CC[N@@H+](CCOC)Cc1ccoc1C[NH2+]CC(C)C ZINC000052542806 521134155 /nfs/dbraw/zinc/13/41/55/521134155.db2.gz LKHKRXZYHGOXAT-UHFFFAOYSA-N 2 1 268.401 2.494 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182789 521969032 /nfs/dbraw/zinc/96/90/32/521969032.db2.gz CHKKELZNDJMRTN-UHFFFAOYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055139092 519613053 /nfs/dbraw/zinc/61/30/53/519613053.db2.gz OROXFWMMQBPXOI-CABCVRRESA-N 2 1 283.460 2.131 10 0 CEAEMP CC(C)C[NH2+]CCCCCN1CC[NH+](C(C)C)CC1 ZINC000052480107 519743316 /nfs/dbraw/zinc/74/33/16/519743316.db2.gz SJNZAOPOUPTVQX-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)[C@@H]2CCSC2)O1 ZINC000052453613 519746382 /nfs/dbraw/zinc/74/63/82/519746382.db2.gz RHEVCHAKYNLSPB-KFWWJZLASA-N 2 1 286.485 2.217 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCCSCC2)O1 ZINC000052371164 519746387 /nfs/dbraw/zinc/74/63/87/519746387.db2.gz XGXWSRIRCXYUPS-HUUCEWRRSA-N 2 1 286.485 2.219 10 0 CEAEMP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)CCN(C)C)CC1 ZINC000049553841 519847739 /nfs/dbraw/zinc/84/77/39/519847739.db2.gz BNSUAOJHMNJGPA-CABCVRRESA-N 2 1 269.477 2.427 10 0 CEAEMP CCCN1CC[NH+](CCCCC[NH2+]C(C)C)CC1 ZINC000052421993 519857796 /nfs/dbraw/zinc/85/77/96/519857796.db2.gz QGLWJHWHACREOC-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](CCOC)[C@@H](C)C2CC2)CCOCC1 ZINC000052183367 519912987 /nfs/dbraw/zinc/91/29/87/519912987.db2.gz AMHWHXNXMBAWDP-HNNXBMFYSA-N 2 1 298.471 2.140 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](CCN(C)C)CC(C)C ZINC000052503363 519919858 /nfs/dbraw/zinc/91/98/58/519919858.db2.gz GSCRADBHXAUUII-OAHLLOKOSA-N 2 1 257.466 2.284 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000052475775 519954809 /nfs/dbraw/zinc/95/48/09/519954809.db2.gz NEOLHLNFNXTISC-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000052475775 519954816 /nfs/dbraw/zinc/95/48/16/519954816.db2.gz NEOLHLNFNXTISC-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000053012071 519975758 /nfs/dbraw/zinc/97/57/58/519975758.db2.gz SPBISZULNNCHSP-CYBMUJFWSA-N 2 1 250.361 2.300 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000053012071 519975764 /nfs/dbraw/zinc/97/57/64/519975764.db2.gz SPBISZULNNCHSP-CYBMUJFWSA-N 2 1 250.361 2.300 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)C2CCOCC2)c1 ZINC000052481140 520004962 /nfs/dbraw/zinc/00/49/62/520004962.db2.gz ZYIBZJFWPNZFJI-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000052570880 520013731 /nfs/dbraw/zinc/01/37/31/520013731.db2.gz PAJKNDUADIEDEW-OCCSQVGLSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000052570880 520013735 /nfs/dbraw/zinc/01/37/35/520013735.db2.gz PAJKNDUADIEDEW-OCCSQVGLSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453275 520030460 /nfs/dbraw/zinc/03/04/60/520030460.db2.gz AGVDTSVCLWALTP-LBPRGKRZSA-N 2 1 254.399 2.326 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](CC)[C@H](C)COC ZINC000052504827 520030516 /nfs/dbraw/zinc/03/05/16/520030516.db2.gz ABXHPYHLIDACDP-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643206 520113783 /nfs/dbraw/zinc/11/37/83/520113783.db2.gz QLZMMVAWAANBQI-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086818 520215735 /nfs/dbraw/zinc/21/57/35/520215735.db2.gz YNRBVXAIRDKNRN-BPUTZDHNSA-N 2 1 274.408 2.310 10 0 CEAEMP CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086818 520215740 /nfs/dbraw/zinc/21/57/40/520215740.db2.gz YNRBVXAIRDKNRN-BPUTZDHNSA-N 2 1 274.408 2.310 10 0 CEAEMP CCCC[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180922 520398496 /nfs/dbraw/zinc/39/84/96/520398496.db2.gz MANQBBKZSAMSRF-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC(C)(C)[N@@H+](C)C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000069443607 521303269 /nfs/dbraw/zinc/30/32/69/521303269.db2.gz BKYPRNWGBKNMAQ-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[N@H+](Cc1ccccc1)Cc1cc[nH+]c(NN)c1 ZINC000052724792 521371617 /nfs/dbraw/zinc/37/16/17/521371617.db2.gz IWBLDQRHQPHWAD-UHFFFAOYSA-N 2 1 256.353 2.389 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)Cc1cc[nH+]c(NN)c1 ZINC000052724792 521371626 /nfs/dbraw/zinc/37/16/26/521371626.db2.gz IWBLDQRHQPHWAD-UHFFFAOYSA-N 2 1 256.353 2.389 10 0 CEAEMP CCC[N@@H+](CC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181211 521605986 /nfs/dbraw/zinc/60/59/86/521605986.db2.gz DQHOODIRPNKENN-UHFFFAOYSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[N@H+]1CC[C@@H](Cn2c(C)[nH+]c3cc(N)ccc32)C1 ZINC000052853066 521711588 /nfs/dbraw/zinc/71/15/88/521711588.db2.gz IJOYJYKFRFRALX-GFCCVEGCSA-N 2 1 258.369 2.269 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccc(C)cc2)CCOCC1 ZINC000052181114 521966301 /nfs/dbraw/zinc/96/63/01/521966301.db2.gz DNONAUPADBIBCW-UHFFFAOYSA-N 2 1 276.424 2.443 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@H]2CCSC2)oc1C ZINC000052453185 522103251 /nfs/dbraw/zinc/10/32/51/522103251.db2.gz QRMSJOWBUPQUCW-LBPRGKRZSA-N 2 1 254.399 2.245 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000052507582 522118056 /nfs/dbraw/zinc/11/80/56/522118056.db2.gz DCUSFTMJNQLBBM-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000052573099 522118427 /nfs/dbraw/zinc/11/84/27/522118427.db2.gz DREQMONZSBGKHQ-LSDHHAIUSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000052573099 522118434 /nfs/dbraw/zinc/11/84/34/522118434.db2.gz DREQMONZSBGKHQ-LSDHHAIUSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+][C@@H](C)c1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000054720825 522338789 /nfs/dbraw/zinc/33/87/89/522338789.db2.gz ZFRQKCPMBXXPET-LBPRGKRZSA-N 2 1 274.368 2.232 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571162 523351903 /nfs/dbraw/zinc/35/19/03/523351903.db2.gz OPRSWQVLAQBXBK-CJNGLKHVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197573 523515236 /nfs/dbraw/zinc/51/52/36/523515236.db2.gz BPDCJLWHLSGCLL-HZPDHXFCSA-N 2 1 298.471 2.281 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197573 523515241 /nfs/dbraw/zinc/51/52/41/523515241.db2.gz BPDCJLWHLSGCLL-HZPDHXFCSA-N 2 1 298.471 2.281 10 0 CEAEMP CC[C@]1(C)C[NH2+]CCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068696187 523577406 /nfs/dbraw/zinc/57/74/06/523577406.db2.gz FRPAAADBGHQAQQ-MRXNPFEDSA-N 2 1 277.412 2.281 10 0 CEAEMP COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555504 523642022 /nfs/dbraw/zinc/64/20/22/523642022.db2.gz MRZMUWKNBWEKSJ-AEGPPILISA-N 2 1 254.418 2.249 10 0 CEAEMP COCC[N@@H+](C1CC1)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555504 523642033 /nfs/dbraw/zinc/64/20/33/523642033.db2.gz MRZMUWKNBWEKSJ-AEGPPILISA-N 2 1 254.418 2.249 10 0 CEAEMP COCC[NH+](CCOC)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052571402 523718762 /nfs/dbraw/zinc/71/87/62/523718762.db2.gz FKPCHMUREVSHLG-UHFFFAOYSA-N 2 1 298.427 2.120 10 0 CEAEMP COCC[N@H+](Cc1cc(C[NH3+])oc1C)CC(C)C ZINC000052508596 523739725 /nfs/dbraw/zinc/73/97/25/523739725.db2.gz YDOLHJNLSOCKIL-UHFFFAOYSA-N 2 1 254.374 2.151 10 0 CEAEMP C[N@H+]1CCCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052424342 523809576 /nfs/dbraw/zinc/80/95/76/523809576.db2.gz XWNSIZYFLFVSCS-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CN1CCC[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052424342 523809582 /nfs/dbraw/zinc/80/95/82/523809582.db2.gz XWNSIZYFLFVSCS-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CN1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052424342 523809589 /nfs/dbraw/zinc/80/95/89/523809589.db2.gz XWNSIZYFLFVSCS-UHFFFAOYSA-N 2 1 273.424 2.076 10 0 CEAEMP CC[C@H](C)C[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052454191 523868835 /nfs/dbraw/zinc/86/88/35/523868835.db2.gz WSTGYNPQYKXIEY-AWEZNQCLSA-N 2 1 281.448 2.002 10 0 CEAEMP C[C@H](C[NH3+])CN1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000049254414 524306883 /nfs/dbraw/zinc/30/68/83/524306883.db2.gz GESOYZIEFDWIEA-CQSZACIVSA-N 2 1 255.450 2.025 10 0 CEAEMP C[C@H]1CN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000069375000 524570342 /nfs/dbraw/zinc/57/03/42/524570342.db2.gz QDCSBYMINHKXJV-HIFPTAJRSA-N 2 1 293.377 2.072 10 0 CEAEMP C[C@H](Cn1c2ccc(N)cc2[nH+]c1C1CC1)[NH+](C)C ZINC000052854555 524769389 /nfs/dbraw/zinc/76/93/89/524769389.db2.gz SEROTVKHMFOSQH-SNVBAGLBSA-N 2 1 258.369 2.446 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052373371 525638547 /nfs/dbraw/zinc/63/85/47/525638547.db2.gz BPRCDKRINVEVBH-UONOGXRCSA-N 2 1 293.459 2.287 10 0 CEAEMP Cc1c(C)n([C@H](C)CC[NH+](C)C)c2nc[nH+]c(N)c12 ZINC000049559813 525687490 /nfs/dbraw/zinc/68/74/90/525687490.db2.gz RYSBWIFTYVIIFS-SECBINFHSA-N 2 1 261.373 2.143 10 0 CEAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761626 526255800 /nfs/dbraw/zinc/25/58/00/526255800.db2.gz OJJPPJXEIFUEHY-FZMZJTMJSA-N 2 1 260.385 2.376 10 0 CEAEMP c1cc(C[NH2+]C2CC2)c(C[NH+]2CCSCC2)o1 ZINC000052425535 526426668 /nfs/dbraw/zinc/42/66/68/526426668.db2.gz ZPPYWBXZQNOFHF-UHFFFAOYSA-N 2 1 252.383 2.080 10 0 CEAEMP [NH3+]Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)o1 ZINC000052418208 527253066 /nfs/dbraw/zinc/25/30/66/527253066.db2.gz RKPCZOVGLUADCJ-UHFFFAOYSA-N 2 1 289.354 2.200 10 0 CEAEMP CCc1cc(N2CCC(C[NH3+])(SC)CC2)nc(C)[nH+]1 ZINC000091472923 536144279 /nfs/dbraw/zinc/14/42/79/536144279.db2.gz WAFLBKYPCHHRIQ-UHFFFAOYSA-N 2 1 280.441 2.008 10 0 CEAEMP COc1cccc(N2CC[NH+](CCC3([NH3+])CCC3)CC2)c1 ZINC000094295822 537123434 /nfs/dbraw/zinc/12/34/34/537123434.db2.gz XBOHARSVPCQHSG-UHFFFAOYSA-N 2 1 289.423 2.089 10 0 CEAEMP CCN1CCC[C@@H]1C[N@@H+](C)CCCCCCC[NH3+] ZINC000092633590 624100309 /nfs/dbraw/zinc/10/03/09/624100309.db2.gz PRBJWCHJEPAOQH-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)CCCCCCC[NH3+] ZINC000092633590 624100313 /nfs/dbraw/zinc/10/03/13/624100313.db2.gz PRBJWCHJEPAOQH-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)CCCCCCC[NH3+] ZINC000092633590 624100316 /nfs/dbraw/zinc/10/03/16/624100316.db2.gz PRBJWCHJEPAOQH-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(C)cc1 ZINC000399018736 628768827 /nfs/dbraw/zinc/76/88/27/628768827.db2.gz GSNXSHPUADUYNA-QGZVFWFLSA-N 2 1 276.424 2.492 10 0 CEAEMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399106776 628776005 /nfs/dbraw/zinc/77/60/05/628776005.db2.gz XYLYAPPKMALGMX-CQSZACIVSA-N 2 1 276.424 2.356 10 0 CEAEMP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000262480965 631017393 /nfs/dbraw/zinc/01/73/93/631017393.db2.gz JZDBPJYGDGMYAN-MAZHCROVSA-N 2 1 298.386 2.271 10 0 CEAEMP CC(C)CC[N@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000096837353 185116557 /nfs/dbraw/zinc/11/65/57/185116557.db2.gz UVMIEVMNMGBOHH-KRWDZBQOSA-N 2 1 276.424 2.343 10 0 CEAEMP CC(C)CC[N@@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000096837353 185116559 /nfs/dbraw/zinc/11/65/59/185116559.db2.gz UVMIEVMNMGBOHH-KRWDZBQOSA-N 2 1 276.424 2.343 10 0 CEAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262802 539211728 /nfs/dbraw/zinc/21/17/28/539211728.db2.gz RZDHXEUOPAANJN-NWDGAFQWSA-N 2 1 258.287 2.500 10 0 CEAEMP C[C@@H]1C[C@H](N2CC[C@H]([NH3+])C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307637305 344723873 /nfs/dbraw/zinc/72/38/73/344723873.db2.gz WRLXYLZYLLOXFD-LMSBXDPUSA-N 2 1 287.451 2.461 10 0 CEAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000328631955 344757194 /nfs/dbraw/zinc/75/71/94/344757194.db2.gz LAMBRAYMYNYIRA-FDQGKXFDSA-N 2 1 297.402 2.036 10 0 CEAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000328631955 344757196 /nfs/dbraw/zinc/75/71/96/344757196.db2.gz LAMBRAYMYNYIRA-FDQGKXFDSA-N 2 1 297.402 2.036 10 0 CEAEMP C[N@@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328634040 344757627 /nfs/dbraw/zinc/75/76/27/344757627.db2.gz MKUOHZJSCLYNEK-CYBMUJFWSA-N 2 1 295.390 2.454 10 0 CEAEMP C[N@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328634040 344757628 /nfs/dbraw/zinc/75/76/28/344757628.db2.gz MKUOHZJSCLYNEK-CYBMUJFWSA-N 2 1 295.390 2.454 10 0 CEAEMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000085385195 179046669 /nfs/dbraw/zinc/04/66/69/179046669.db2.gz VKHDYUBBXVXZDU-CFVMTHIKSA-N 2 1 266.429 2.264 10 0 CEAEMP CCCc1nc2c(n1C[C@H]1CC[N@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572506 179097536 /nfs/dbraw/zinc/09/75/36/179097536.db2.gz KKODFVIIGQTTPY-AWEZNQCLSA-N 2 1 290.455 2.212 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568656 179095131 /nfs/dbraw/zinc/09/51/31/179095131.db2.gz ZZBXKGMBAGWYPG-CYBMUJFWSA-N 2 1 290.455 2.311 10 0 CEAEMP COCC[N@H+]1C[C@@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625615 179107494 /nfs/dbraw/zinc/10/74/94/179107494.db2.gz NJXDNSILZXAQOE-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP C([C@@H]1CCCO1)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610451 179100762 /nfs/dbraw/zinc/10/07/62/179100762.db2.gz OFLVFTFIFHUWTJ-AWEZNQCLSA-N 2 1 252.402 2.164 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCC[NH2+]1 ZINC000085610216 179100867 /nfs/dbraw/zinc/10/08/67/179100867.db2.gz FCDKAXFZUUOHJJ-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCC[NH2+]1 ZINC000085610216 179100868 /nfs/dbraw/zinc/10/08/68/179100868.db2.gz FCDKAXFZUUOHJJ-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCC[NH2+]1 ZINC000085610034 179101271 /nfs/dbraw/zinc/10/12/71/179101271.db2.gz RVCMQLKAKKXQNR-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCC[NH2+]1 ZINC000085610034 179101274 /nfs/dbraw/zinc/10/12/74/179101274.db2.gz RVCMQLKAKKXQNR-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP COCCC[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085614947 179104235 /nfs/dbraw/zinc/10/42/35/179104235.db2.gz KPXPYKINBYAWOO-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085623665 179105337 /nfs/dbraw/zinc/10/53/37/179105337.db2.gz YCYSHJBBKDOSIJ-AEGPPILISA-N 2 1 252.402 2.018 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085623375 179105406 /nfs/dbraw/zinc/10/54/06/179105406.db2.gz VQEIUJLLVQAQFJ-KGLIPLIRSA-N 2 1 252.402 2.020 10 0 CEAEMP CCn1cc(C[N@@H+]2C[C@@](C)(C3CC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623781 179106425 /nfs/dbraw/zinc/10/64/25/179106425.db2.gz AHPFNAWPVVODIG-BBRMVZONSA-N 2 1 276.428 2.256 10 0 CEAEMP CCn1cc(C[N@H+]2C[C@@](C)(C3CC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623781 179106426 /nfs/dbraw/zinc/10/64/26/179106426.db2.gz AHPFNAWPVVODIG-BBRMVZONSA-N 2 1 276.428 2.256 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086141845 179236529 /nfs/dbraw/zinc/23/65/29/179236529.db2.gz MLQIZKVPKRSARW-WBVHZDCISA-N 2 1 279.472 2.182 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C(C)C)CN1 ZINC000086173672 179244819 /nfs/dbraw/zinc/24/48/19/179244819.db2.gz PXNABJGOBWOLQW-DLBZAZTESA-N 2 1 281.488 2.283 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177343 179246756 /nfs/dbraw/zinc/24/67/56/179246756.db2.gz IBGMOXKLVVFBGI-DLBZAZTESA-N 2 1 273.424 2.117 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145691 179238881 /nfs/dbraw/zinc/23/88/81/179238881.db2.gz OJXWZAMVKQJFNF-ZBFHGGJFSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145691 179238883 /nfs/dbraw/zinc/23/88/83/179238883.db2.gz OJXWZAMVKQJFNF-ZBFHGGJFSA-N 2 1 267.461 2.038 10 0 CEAEMP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223119 179252052 /nfs/dbraw/zinc/25/20/52/179252052.db2.gz WYGSVBKYWMXQJS-UXLLHSPISA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259241 179257957 /nfs/dbraw/zinc/25/79/57/179257957.db2.gz ZCCCPRRITZEIML-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259219 179258250 /nfs/dbraw/zinc/25/82/50/179258250.db2.gz MYPFLPHGAWYLNW-BZUAXINKSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259352 179258425 /nfs/dbraw/zinc/25/84/25/179258425.db2.gz GERDZHUAASHEKD-HOTGVXAUSA-N 2 1 279.472 2.467 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259640 179259122 /nfs/dbraw/zinc/25/91/22/179259122.db2.gz KHRMSLAAGLMISC-GOEBONIOSA-N 2 1 277.456 2.220 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259665 179259207 /nfs/dbraw/zinc/25/92/07/179259207.db2.gz ZSWSZPBMDXOXSA-ZMSDIMECSA-N 2 1 279.472 2.322 10 0 CEAEMP CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261037 179260027 /nfs/dbraw/zinc/26/00/27/179260027.db2.gz XRHTTZFGBSNZSM-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261037 179260028 /nfs/dbraw/zinc/26/00/28/179260028.db2.gz XRHTTZFGBSNZSM-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[N@H+](CCc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000086269752 179262528 /nfs/dbraw/zinc/26/25/28/179262528.db2.gz WINWXAOLNQSFOP-OAHLLOKOSA-N 2 1 292.423 2.320 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000086269752 179262529 /nfs/dbraw/zinc/26/25/29/179262529.db2.gz WINWXAOLNQSFOP-OAHLLOKOSA-N 2 1 292.423 2.320 10 0 CEAEMP CC(C)[C@@H]1CN[C@H](C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259018 179257027 /nfs/dbraw/zinc/25/70/27/179257027.db2.gz IYEQVBQQYLOIAR-IRXDYDNUSA-N 2 1 279.472 2.037 10 0 CEAEMP CCC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291496 179266887 /nfs/dbraw/zinc/26/68/87/179266887.db2.gz VAHKOBNBRXMBPL-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[C@@H]1CN(CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291496 179266888 /nfs/dbraw/zinc/26/68/88/179266888.db2.gz VAHKOBNBRXMBPL-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297930 179268983 /nfs/dbraw/zinc/26/89/83/179268983.db2.gz FNSZNKNPJNLPNY-ZDUSSCGKSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297930 179268985 /nfs/dbraw/zinc/26/89/85/179268985.db2.gz FNSZNKNPJNLPNY-ZDUSSCGKSA-N 2 1 267.442 2.396 10 0 CEAEMP COCc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818624 179347534 /nfs/dbraw/zinc/34/75/34/179347534.db2.gz KEEQCNDREXQOER-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP Cc1[nH+]ccn1-c1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC000086818535 179347616 /nfs/dbraw/zinc/34/76/16/179347616.db2.gz QLYNCILQHAWAJS-CQSZACIVSA-N 2 1 285.395 2.472 10 0 CEAEMP Cc1[nH+]ccn1-c1ccc(N[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC000086818535 179347619 /nfs/dbraw/zinc/34/76/19/179347619.db2.gz QLYNCILQHAWAJS-CQSZACIVSA-N 2 1 285.395 2.472 10 0 CEAEMP Cc1cccc(N(C)[C@]2(C[NH3+])CCC[N@@H+](C)CC2)c1 ZINC000086819524 179348243 /nfs/dbraw/zinc/34/82/43/179348243.db2.gz CQKUQPPCLMUFQB-MRXNPFEDSA-N 2 1 261.413 2.244 10 0 CEAEMP CC(C)CN(CC(C)C)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819345 179348310 /nfs/dbraw/zinc/34/83/10/179348310.db2.gz PMVJAMRQDSHAIE-INIZCTEOSA-N 2 1 269.477 2.414 10 0 CEAEMP CC(C)C[NH+](CC(C)C)[C@@]1(CN)CCC[N@H+](C)CC1 ZINC000086819345 179348311 /nfs/dbraw/zinc/34/83/11/179348311.db2.gz PMVJAMRQDSHAIE-INIZCTEOSA-N 2 1 269.477 2.414 10 0 CEAEMP CC(C)C[NH+](CC(C)C)[C@@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819345 179348314 /nfs/dbraw/zinc/34/83/14/179348314.db2.gz PMVJAMRQDSHAIE-INIZCTEOSA-N 2 1 269.477 2.414 10 0 CEAEMP CCN(C1CCCC1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819294 179348690 /nfs/dbraw/zinc/34/86/90/179348690.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 2 1 253.434 2.064 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848644 179356119 /nfs/dbraw/zinc/35/61/19/179356119.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848644 179356121 /nfs/dbraw/zinc/35/61/21/179356121.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](CN)([NH+]2CCCC2(C)C)CC1 ZINC000086848644 179356122 /nfs/dbraw/zinc/35/61/22/179356122.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@](CN)([N@@H+]2CCCC2(C)C)CC1 ZINC000086848644 179356124 /nfs/dbraw/zinc/35/61/24/179356124.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@](CN)([N@H+]2CCCC2(C)C)CC1 ZINC000086848644 179356126 /nfs/dbraw/zinc/35/61/26/179356126.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CCCCCN(C)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846893 179357167 /nfs/dbraw/zinc/35/71/67/179357167.db2.gz QNRGLFXFMXGFNB-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847121 179357261 /nfs/dbraw/zinc/35/72/61/179357261.db2.gz SBILAJYUYUTPSB-KRWDZBQOSA-N 2 1 290.455 2.107 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836790 179352055 /nfs/dbraw/zinc/35/20/55/179352055.db2.gz RJLDDTOVSIWUET-OAHLLOKOSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000086836790 179352058 /nfs/dbraw/zinc/35/20/58/179352058.db2.gz RJLDDTOVSIWUET-OAHLLOKOSA-N 2 1 277.412 2.444 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840957 179352412 /nfs/dbraw/zinc/35/24/12/179352412.db2.gz JHQMJMUISODJRD-INIZCTEOSA-N 2 1 261.413 2.478 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843067 179353891 /nfs/dbraw/zinc/35/38/91/179353891.db2.gz RBMKJDFPXIQVEB-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843067 179353893 /nfs/dbraw/zinc/35/38/93/179353893.db2.gz RBMKJDFPXIQVEB-GJZGRUSLSA-N 3 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843067 179353895 /nfs/dbraw/zinc/35/38/95/179353895.db2.gz RBMKJDFPXIQVEB-GJZGRUSLSA-N 3 1 255.450 2.181 10 0 CEAEMP CC[N@@H+]1CCC[C@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867915 179360706 /nfs/dbraw/zinc/36/07/06/179360706.db2.gz VTDREBWYDIBKKE-INIZCTEOSA-N 2 1 262.397 2.013 10 0 CEAEMP CC[N@H+]1CCC[C@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867915 179360710 /nfs/dbraw/zinc/36/07/10/179360710.db2.gz VTDREBWYDIBKKE-INIZCTEOSA-N 2 1 262.397 2.013 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CC)CC2CC2)CC1 ZINC000086848841 179358705 /nfs/dbraw/zinc/35/87/05/179358705.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](CC)CC2CC2)CC1 ZINC000086848841 179358706 /nfs/dbraw/zinc/35/87/06/179358706.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@](CN)([NH+](CC)CC2CC2)CC1 ZINC000086848841 179358708 /nfs/dbraw/zinc/35/87/08/179358708.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@H+](CC)CC2CC2)CC1 ZINC000086848841 179358711 /nfs/dbraw/zinc/35/87/11/179358711.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](CC)CC2CC2)CC1 ZINC000086848841 179358713 /nfs/dbraw/zinc/35/87/13/179358713.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCCCC2)CC1 ZINC000087018110 179380623 /nfs/dbraw/zinc/38/06/23/179380623.db2.gz PPWQCICHAGPNFX-CQSZACIVSA-N 2 1 254.418 2.146 10 0 CEAEMP C[NH2+][C@H](CSC(C)(C)C)Cc1cc[nH+]c(N)c1 ZINC000087117536 179395413 /nfs/dbraw/zinc/39/54/13/179395413.db2.gz RGXSCPUYBUDJSG-NSHDSACASA-N 2 1 253.415 2.326 10 0 CEAEMP Cc1[nH+]ccn1CC[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063732 179390107 /nfs/dbraw/zinc/39/01/07/179390107.db2.gz HXUGZPMRMDNCGR-UHFFFAOYSA-N 2 1 265.401 2.112 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCC(C)CC1 ZINC000089582112 179824346 /nfs/dbraw/zinc/82/43/46/179824346.db2.gz RUUOAEWADUKXHT-AQFXKWCLSA-N 2 1 282.472 2.495 10 0 CEAEMP CC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000090494158 179992633 /nfs/dbraw/zinc/99/26/33/179992633.db2.gz KMEAXMNQIYCUCR-YNEHKIRRSA-N 2 1 268.426 2.365 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000090566303 180005511 /nfs/dbraw/zinc/00/55/11/180005511.db2.gz GVVSLBLAMRGUOL-ZBFHGGJFSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000090566303 180005515 /nfs/dbraw/zinc/00/55/15/180005515.db2.gz GVVSLBLAMRGUOL-ZBFHGGJFSA-N 2 1 280.387 2.272 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccoc1C ZINC000090566363 180006066 /nfs/dbraw/zinc/00/60/66/180006066.db2.gz FAAPKMQFOUCGIE-CABCVRRESA-N 2 1 266.385 2.034 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccoc1C ZINC000090566363 180006068 /nfs/dbraw/zinc/00/60/68/180006068.db2.gz FAAPKMQFOUCGIE-CABCVRRESA-N 2 1 266.385 2.034 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694537 180025778 /nfs/dbraw/zinc/02/57/78/180025778.db2.gz XBUIKRUFSKTOEF-OFQRWUPVSA-N 2 1 295.471 2.144 10 0 CEAEMP CO[C@H]1CCC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000090694111 180025794 /nfs/dbraw/zinc/02/57/94/180025794.db2.gz ZYDWAKNFKKGZEV-GJZGRUSLSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000090694026 180025885 /nfs/dbraw/zinc/02/58/85/180025885.db2.gz TVQGXFAVXUGORK-AWEZNQCLSA-N 2 1 289.423 2.335 10 0 CEAEMP CO[C@H]1CCC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000090694110 180026267 /nfs/dbraw/zinc/02/62/67/180026267.db2.gz ZYDWAKNFKKGZEV-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694349 180026487 /nfs/dbraw/zinc/02/64/87/180026487.db2.gz UJRZNFJDIKAVMN-CYBMUJFWSA-N 2 1 294.361 2.419 10 0 CEAEMP CC[NH2+]C1CC[NH+](C[C@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090896657 180057487 /nfs/dbraw/zinc/05/74/87/180057487.db2.gz WFACGLGCZRYREB-MRXNPFEDSA-N 2 1 274.408 2.372 10 0 CEAEMP CC[C@@H]1C[N@H+](C[C@@H]2Cc3cc(C)ccc3O2)CCC[NH2+]1 ZINC000090902511 180060196 /nfs/dbraw/zinc/06/01/96/180060196.db2.gz BQVKFNCBGMRFFG-CVEARBPZSA-N 2 1 274.408 2.372 10 0 CEAEMP CC[C@@H]1C[N@@H+](C[C@@H]2Cc3cc(C)ccc3O2)CCC[NH2+]1 ZINC000090902511 180060198 /nfs/dbraw/zinc/06/01/98/180060198.db2.gz BQVKFNCBGMRFFG-CVEARBPZSA-N 2 1 274.408 2.372 10 0 CEAEMP CC(C)(C)[NH2+]CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907863 180061892 /nfs/dbraw/zinc/06/18/92/180061892.db2.gz ISLTYJCPVHABJM-OKILXGFUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[C@@](C)(C[NH3+])[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377210 539759172 /nfs/dbraw/zinc/75/91/72/539759172.db2.gz JKUUEVKERJUDRF-IRXDYDNUSA-N 2 1 276.424 2.389 10 0 CEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccc(Cl)c1 ZINC000091313752 180132656 /nfs/dbraw/zinc/13/26/56/180132656.db2.gz KPVJVCUWSARXQT-CQSZACIVSA-N 2 1 268.788 2.150 10 0 CEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1 ZINC000091313761 180132681 /nfs/dbraw/zinc/13/26/81/180132681.db2.gz LRMJLRGBCQTUOM-CQSZACIVSA-N 2 1 268.788 2.150 10 0 CEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000091313756 180132695 /nfs/dbraw/zinc/13/26/95/180132695.db2.gz UHQJKSGJTNXXLI-CYBMUJFWSA-N 2 1 268.788 2.150 10 0 CEAEMP CC[N@@H+](Cc1cncn1C1CC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091277112 180119680 /nfs/dbraw/zinc/11/96/80/180119680.db2.gz DRSCDRUMJRCEHX-DOMZBBRYSA-N 2 1 262.401 2.167 10 0 CEAEMP c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CSCC[NH2+]1)C2 ZINC000091291987 180123375 /nfs/dbraw/zinc/12/33/75/180123375.db2.gz JYMRIZRGLOQXEV-OAHLLOKOSA-N 2 1 262.422 2.140 10 0 CEAEMP c1ccc2c(c1)CC[N@H+](CC[C@@H]1CSCC[NH2+]1)C2 ZINC000091291987 180123378 /nfs/dbraw/zinc/12/33/78/180123378.db2.gz JYMRIZRGLOQXEV-OAHLLOKOSA-N 2 1 262.422 2.140 10 0 CEAEMP COc1cccc(C[N@H+](C)CC[C@@H]2CSCC[NH2+]2)c1 ZINC000091292075 180123899 /nfs/dbraw/zinc/12/38/99/180123899.db2.gz FRMDVKLROCXSAL-CQSZACIVSA-N 2 1 280.437 2.222 10 0 CEAEMP COc1cccc(C[N@@H+](C)CC[C@@H]2CSCC[NH2+]2)c1 ZINC000091292075 180123901 /nfs/dbraw/zinc/12/39/01/180123901.db2.gz FRMDVKLROCXSAL-CQSZACIVSA-N 2 1 280.437 2.222 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1COc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091435562 180154466 /nfs/dbraw/zinc/15/44/66/180154466.db2.gz SPQOSGYPLMOSIH-CQSZACIVSA-N 2 1 292.427 2.228 10 0 CEAEMP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)N1CCCCC1 ZINC000091565232 180193410 /nfs/dbraw/zinc/19/34/10/180193410.db2.gz OHXCRNRDFANMAW-INIZCTEOSA-N 2 1 290.455 2.449 10 0 CEAEMP CCn1nc(C)cc1C[C@H]([NH3+])C(C)(C)[NH+]1CCCCC1 ZINC000091564523 180193630 /nfs/dbraw/zinc/19/36/30/180193630.db2.gz HAFVRYBFZBWGGR-HNNXBMFYSA-N 2 1 278.444 2.346 10 0 CEAEMP CCc1cc(C[C@H]([NH3+])[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605398 180204311 /nfs/dbraw/zinc/20/43/11/180204311.db2.gz FJFDOCCNWRTKMI-JKSUJKDBSA-N 2 1 278.444 2.117 10 0 CEAEMP CC[NH2+][C@@H](Cc1cccnc1N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607271 180204426 /nfs/dbraw/zinc/20/44/26/180204426.db2.gz QVGUEFWTRQKCMO-RDJZCZTQSA-N 2 1 290.455 2.449 10 0 CEAEMP C[NH2+][C@@H](Cc1ccc(OC)c(F)c1)C(C)(C)[NH+](C)C ZINC000091528574 180180558 /nfs/dbraw/zinc/18/05/58/180180558.db2.gz MSTKFIOLQRVBDG-AWEZNQCLSA-N 2 1 268.376 2.305 10 0 CEAEMP COc1ccccc1C[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 ZINC000091534221 180181411 /nfs/dbraw/zinc/18/14/11/180181411.db2.gz GSUUMALVWWBTOW-OAHLLOKOSA-N 2 1 262.397 2.439 10 0 CEAEMP Nc1cc[nH+]cc1[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641778 180213568 /nfs/dbraw/zinc/21/35/68/180213568.db2.gz JKZVIUVHUPATEO-HNNXBMFYSA-N 2 1 275.396 2.496 10 0 CEAEMP CCC[NH2+][C@H](CC[NH+](CC)CC)c1cnn(C)c1 ZINC000091716889 180231993 /nfs/dbraw/zinc/23/19/93/180231993.db2.gz STVHDWQAYJOPIC-CQSZACIVSA-N 2 1 252.406 2.193 10 0 CEAEMP CC[NH2+][C@H](CCC(C)C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721531 180237885 /nfs/dbraw/zinc/23/78/85/180237885.db2.gz JLHWDTKGBJUYOU-RBSFLKMASA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@H](CCC(C)C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721531 180237888 /nfs/dbraw/zinc/23/78/88/180237888.db2.gz JLHWDTKGBJUYOU-RBSFLKMASA-N 2 1 254.418 2.264 10 0 CEAEMP [NH3+][C@@H]1CCCc2sc([C@H]3C[N@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722535 180240160 /nfs/dbraw/zinc/24/01/60/180240160.db2.gz MLWSVCNSAONXCH-GMTAPVOTSA-N 2 1 279.409 2.015 10 0 CEAEMP CCC[N@@H+](CCC[NH+]1CCCC1)C1CCC([NH3+])CC1 ZINC000091852540 180273170 /nfs/dbraw/zinc/27/31/70/180273170.db2.gz MKDXCXVTZYOGEN-UHFFFAOYSA-N 3 1 267.461 2.454 10 0 CEAEMP CCC[N@H+](CCCN1CCCC1)C1CCC([NH3+])CC1 ZINC000091852540 180273171 /nfs/dbraw/zinc/27/31/71/180273171.db2.gz MKDXCXVTZYOGEN-UHFFFAOYSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+](CCCN1CCCC1)C1CCC([NH3+])CC1 ZINC000091852540 180273172 /nfs/dbraw/zinc/27/31/72/180273172.db2.gz MKDXCXVTZYOGEN-UHFFFAOYSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091850896 180272216 /nfs/dbraw/zinc/27/22/16/180272216.db2.gz LACIUJMCMWWABU-DNDYEEKYSA-N 2 1 283.460 2.272 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000091870649 180277162 /nfs/dbraw/zinc/27/71/62/180277162.db2.gz AOZKNBGJYUGTBV-OFLPRAFFSA-N 2 1 276.424 2.357 10 0 CEAEMP CC[C@H]([NH3+])c1ccc(OC[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000092050955 180312226 /nfs/dbraw/zinc/31/22/26/180312226.db2.gz KKLQBGXEBGMOQB-HOTGVXAUSA-N 2 1 278.396 2.196 10 0 CEAEMP CC[C@H]([NH3+])c1ccc(OC[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000092050955 180312229 /nfs/dbraw/zinc/31/22/29/180312229.db2.gz KKLQBGXEBGMOQB-HOTGVXAUSA-N 2 1 278.396 2.196 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298016 180358510 /nfs/dbraw/zinc/35/85/10/180358510.db2.gz PCIWJSDOXUMQIJ-MELADBBJSA-N 2 1 260.381 2.222 10 0 CEAEMP CNc1cc[nH+]c(C[N@H+](CCOC)[C@@H](C)C2CC2)c1 ZINC000092418694 180380681 /nfs/dbraw/zinc/38/06/81/180380681.db2.gz DVDREXYCGQBKIQ-LBPRGKRZSA-N 2 1 263.385 2.370 10 0 CEAEMP CNc1cc[nH+]c(C[N@@H+](CCOC)[C@@H](C)C2CC2)c1 ZINC000092418694 180380684 /nfs/dbraw/zinc/38/06/84/180380684.db2.gz DVDREXYCGQBKIQ-LBPRGKRZSA-N 2 1 263.385 2.370 10 0 CEAEMP C[C@@H]([NH3+])C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110645181 186308595 /nfs/dbraw/zinc/30/85/95/186308595.db2.gz WBAWXJHIVJHQLY-CRAIPNDOSA-N 2 1 287.451 2.320 10 0 CEAEMP C[C@@H]([NH3+])C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000110645181 186308596 /nfs/dbraw/zinc/30/85/96/186308596.db2.gz WBAWXJHIVJHQLY-CRAIPNDOSA-N 2 1 287.451 2.320 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCCC2)O1 ZINC000110844713 186328240 /nfs/dbraw/zinc/32/82/40/186328240.db2.gz MJCWIHCQFDKCKT-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704882 186314367 /nfs/dbraw/zinc/31/43/67/186314367.db2.gz HEQGVQNTZNOXFU-HIFRSBDPSA-N 2 1 261.413 2.101 10 0 CEAEMP COc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704711 186314682 /nfs/dbraw/zinc/31/46/82/186314682.db2.gz VDKHMLKETKHVBN-CZUORRHYSA-N 2 1 291.439 2.110 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cc(C)ccc2C)C[C@@H]1C ZINC000110708584 186314889 /nfs/dbraw/zinc/31/48/89/186314889.db2.gz SNQUJUNTJIZHLG-RDJZCZTQSA-N 2 1 275.440 2.329 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705276 186315160 /nfs/dbraw/zinc/31/51/60/186315160.db2.gz RCSQEHZDKKOIHR-DOMZBBRYSA-N 2 1 279.403 2.240 10 0 CEAEMP CCOc1cccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110711625 186315356 /nfs/dbraw/zinc/31/53/56/186315356.db2.gz VNRXJGJVIBSQHT-INIZCTEOSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[C@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC[N@H+]1C ZINC000110716108 186316077 /nfs/dbraw/zinc/31/60/77/186316077.db2.gz KCPLTJZELKCTLE-HRCADAONSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[C@](C)(C[NH2+]C1CC1)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747280 186322139 /nfs/dbraw/zinc/32/21/39/186322139.db2.gz ZXAONFYHUHRNDX-MRXNPFEDSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+](CC)CCOCC)c1 ZINC000111123829 186354362 /nfs/dbraw/zinc/35/43/62/186354362.db2.gz OMOPSXZBHWVUQG-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP C[N@@H+](CCC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000111179287 186366180 /nfs/dbraw/zinc/36/61/80/186366180.db2.gz WTOLBOXKOVPMBY-GJZGRUSLSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC1(C[N@@H+](C)CC2CCOCC2)CC[NH2+]CC1 ZINC000111179346 186366832 /nfs/dbraw/zinc/36/68/32/186366832.db2.gz AYZIBLIHWJPALH-UHFFFAOYSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[C@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111179159 186366879 /nfs/dbraw/zinc/36/68/79/186366879.db2.gz AVKLWFSGRAVHSO-GJZGRUSLSA-N 2 1 254.418 2.125 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324272 186397385 /nfs/dbraw/zinc/39/73/85/186397385.db2.gz HKRIMCHYFVBDPN-QGZVFWFLSA-N 2 1 274.408 2.061 10 0 CEAEMP CCCC[N@@H+](C[C@]1(C[NH2+]C)CCCOC1)C1CC1 ZINC000111326635 186398588 /nfs/dbraw/zinc/39/85/88/186398588.db2.gz JTSHURCSODDBGY-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366352 351714318 /nfs/dbraw/zinc/71/43/18/351714318.db2.gz KDYQCZLXKWLDSW-MDZLAQPJSA-N 2 1 264.360 2.106 10 0 CEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366352 351714321 /nfs/dbraw/zinc/71/43/21/351714321.db2.gz KDYQCZLXKWLDSW-MDZLAQPJSA-N 2 1 264.360 2.106 10 0 CEAEMP CN(C)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222903710 540523947 /nfs/dbraw/zinc/52/39/47/540523947.db2.gz MDNJWIBKNIPSJV-PMPSAXMXSA-N 2 1 261.413 2.149 10 0 CEAEMP Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1Br ZINC000685965574 540664116 /nfs/dbraw/zinc/66/41/16/540664116.db2.gz JWYXLPAMSBTHSV-ZYHUDNBSSA-N 2 1 269.186 2.162 10 0 CEAEMP CCC[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1CC)[NH+](C)C ZINC000162135317 367140984 /nfs/dbraw/zinc/14/09/84/367140984.db2.gz UJRKSRLAVWTOGK-LSDHHAIUSA-N 2 1 283.460 2.097 10 0 CEAEMP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[NH+](C)C ZINC000162616810 367174270 /nfs/dbraw/zinc/17/42/70/367174270.db2.gz PRYDOPYTDAMHAJ-CVEARBPZSA-N 2 1 297.487 2.201 10 0 CEAEMP COc1ccc(Cl)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840536 367580217 /nfs/dbraw/zinc/58/02/17/367580217.db2.gz TUBBPHJHEKHSPY-JQWIXIFHSA-N 2 1 268.788 2.375 10 0 CEAEMP COc1ccc(Cl)cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840536 367580223 /nfs/dbraw/zinc/58/02/23/367580223.db2.gz TUBBPHJHEKHSPY-JQWIXIFHSA-N 2 1 268.788 2.375 10 0 CEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C=CCCC2)CC1 ZINC000171746270 367609293 /nfs/dbraw/zinc/60/92/93/367609293.db2.gz YWDLMEJQBMBKFW-ZBFHGGJFSA-N 2 1 266.429 2.120 10 0 CEAEMP CCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000246513176 370971369 /nfs/dbraw/zinc/97/13/69/370971369.db2.gz QQTDSRSFUXGIOQ-ZIAGYGMSSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227798520 370385436 /nfs/dbraw/zinc/38/54/36/370385436.db2.gz FRGZZLIOAJEFFD-JKSUJKDBSA-N 2 1 295.471 2.084 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000231457726 370479199 /nfs/dbraw/zinc/47/91/99/370479199.db2.gz FONNLKSPHJMHEY-ZDUSSCGKSA-N 2 1 266.360 2.408 10 0 CEAEMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000231462881 370480254 /nfs/dbraw/zinc/48/02/54/370480254.db2.gz QRNBYIJLNYMMLT-AWEZNQCLSA-N 2 1 276.380 2.032 10 0 CEAEMP CC[C@](C)(O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249079785 371291269 /nfs/dbraw/zinc/29/12/69/371291269.db2.gz CJUJRIUELWLBNX-HOCLYGCPSA-N 2 1 277.412 2.285 10 0 CEAEMP CC[C@](C)(O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249079785 371291272 /nfs/dbraw/zinc/29/12/72/371291272.db2.gz CJUJRIUELWLBNX-HOCLYGCPSA-N 2 1 277.412 2.285 10 0 CEAEMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261611845 371677789 /nfs/dbraw/zinc/67/77/89/371677789.db2.gz DZFJEIFTQUXWJJ-ZNMIVQPWSA-N 2 1 290.407 2.133 10 0 CEAEMP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000261549256 371643673 /nfs/dbraw/zinc/64/36/73/371643673.db2.gz OKYAYGMRFVEIPI-NJAFHUGGSA-N 2 1 287.451 2.381 10 0 CEAEMP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261549256 371643676 /nfs/dbraw/zinc/64/36/76/371643676.db2.gz OKYAYGMRFVEIPI-NJAFHUGGSA-N 2 1 287.451 2.381 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]cc3Br)C[C@H]12 ZINC000261566411 371652250 /nfs/dbraw/zinc/65/22/50/371652250.db2.gz DMZLJCJLFLCEIT-ATZCPNFKSA-N 2 1 282.185 2.018 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@@H]12 ZINC000261743650 371717399 /nfs/dbraw/zinc/71/73/99/371717399.db2.gz MGNQVTSCIAADGG-CYZMBNFOSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@@H]12 ZINC000261743650 371717408 /nfs/dbraw/zinc/71/74/08/371717408.db2.gz MGNQVTSCIAADGG-CYZMBNFOSA-N 2 1 282.334 2.457 10 0 CEAEMP Fc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(F)c1 ZINC000261882713 371760423 /nfs/dbraw/zinc/76/04/23/371760423.db2.gz FNRFMISZRVNKRK-IMJJTQAJSA-N 2 1 296.361 2.212 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccnn3-c3ccccc3)C[C@@H]12 ZINC000261821309 371741121 /nfs/dbraw/zinc/74/11/21/371741121.db2.gz IKVMPMFLYWFRIL-KBRIMQKVSA-N 2 1 282.391 2.041 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@@H]12 ZINC000261821309 371741130 /nfs/dbraw/zinc/74/11/30/371741130.db2.gz IKVMPMFLYWFRIL-KBRIMQKVSA-N 2 1 282.391 2.041 10 0 CEAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262003789 371797987 /nfs/dbraw/zinc/79/79/87/371797987.db2.gz UKEYCQTYCHSDNV-ZNMIVQPWSA-N 2 1 260.381 2.173 10 0 CEAEMP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000262010259 371799267 /nfs/dbraw/zinc/79/92/67/371799267.db2.gz VMPGSBUTZAKKGR-RBSFLKMASA-N 2 1 266.429 2.313 10 0 CEAEMP C[N@@H+](CC1CC1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052483692 522628805 /nfs/dbraw/zinc/62/88/05/522628805.db2.gz IZSSRPYOSUWNMF-UONOGXRCSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000093618371 184696811 /nfs/dbraw/zinc/69/68/11/184696811.db2.gz KJFRQAPHGPDYOU-FZKCQIBNSA-N 2 1 268.445 2.105 10 0 CEAEMP CCC[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc[nH+]c1CC ZINC000093618989 184696867 /nfs/dbraw/zinc/69/68/67/184696867.db2.gz ZJNOCPGWEAKOLN-ZBFHGGJFSA-N 2 1 279.428 2.366 10 0 CEAEMP CCc1cc(N2CCC[C@H]([C@@H](C)[NH2+]C)C2)nc(C)[nH+]1 ZINC000088759718 135057088 /nfs/dbraw/zinc/05/70/88/135057088.db2.gz LMGNDDGZGDWCQM-YPMHNXCESA-N 2 1 262.401 2.172 10 0 CEAEMP CC[NH2+]Cc1cccnc1N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094443292 135088689 /nfs/dbraw/zinc/08/86/89/135088689.db2.gz GXUIRCXJSCIMRK-HOCLYGCPSA-N 2 1 288.439 2.254 10 0 CEAEMP C[C@@H]([NH3+])Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444540 135089084 /nfs/dbraw/zinc/08/90/84/135089084.db2.gz HWQXJUHUCGEZQF-UKRRQHHQSA-N 2 1 291.414 2.390 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCN1CCO[C@@H]2CCCC[C@H]21 ZINC000247103956 394526986 /nfs/dbraw/zinc/52/69/86/394526986.db2.gz KSORZLTWCBFTQW-RBSFLKMASA-N 2 1 252.402 2.114 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000312117227 394539193 /nfs/dbraw/zinc/53/91/93/394539193.db2.gz RCEOXQCWTVLBKJ-CZUORRHYSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000312117227 394539198 /nfs/dbraw/zinc/53/91/98/394539198.db2.gz RCEOXQCWTVLBKJ-CZUORRHYSA-N 2 1 262.397 2.101 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261595552 394603345 /nfs/dbraw/zinc/60/33/45/394603345.db2.gz OGWXFPJXXIFMDJ-KKUMJFAQSA-N 2 1 260.381 2.173 10 0 CEAEMP CC[N@@H+](CCC(C)(C)C(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000262052807 394612209 /nfs/dbraw/zinc/61/22/09/394612209.db2.gz ZWIQRJHCCUUMFC-ZDUSSCGKSA-N 2 1 270.417 2.040 10 0 CEAEMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000124260451 287104738 /nfs/dbraw/zinc/10/47/38/287104738.db2.gz OVRYNKHTZIVBCE-HZPDHXFCSA-N 2 1 268.445 2.488 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022155006 171362143 /nfs/dbraw/zinc/36/21/43/171362143.db2.gz JVEOCAVKCFKMOW-CYBMUJFWSA-N 2 1 275.396 2.206 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCCCO1 ZINC000035151382 172014268 /nfs/dbraw/zinc/01/42/68/172014268.db2.gz CJOWRLLFGCOLSW-CABCVRRESA-N 2 1 254.418 2.410 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037484571 173228798 /nfs/dbraw/zinc/22/87/98/173228798.db2.gz GDJRVYWHYKQUGO-GFCCVEGCSA-N 2 1 283.213 2.490 10 0 CEAEMP COCC[NH+](CCOC)[C@@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037489428 173231055 /nfs/dbraw/zinc/23/10/55/173231055.db2.gz RTCNCEIPGOGQIU-ZBFHGGJFSA-N 2 1 286.460 2.125 10 0 CEAEMP CCCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043221 174050318 /nfs/dbraw/zinc/05/03/18/174050318.db2.gz BQAGNTVHVKUTRV-ZBFHGGJFSA-N 2 1 295.471 2.288 10 0 CEAEMP CCCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043221 174050320 /nfs/dbraw/zinc/05/03/20/174050320.db2.gz BQAGNTVHVKUTRV-ZBFHGGJFSA-N 2 1 295.471 2.288 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000309722890 414855447 /nfs/dbraw/zinc/85/54/47/414855447.db2.gz MRICSADMSQYCMY-CQSZACIVSA-N 2 1 291.439 2.141 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](N1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000043378328 175030500 /nfs/dbraw/zinc/03/05/00/175030500.db2.gz LDJMGDXAMDFNEF-GHMZBOCLSA-N 2 1 281.366 2.071 10 0 CEAEMP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818347 175113384 /nfs/dbraw/zinc/11/33/84/175113384.db2.gz HZUPZQCOKAWVJQ-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887776 175117440 /nfs/dbraw/zinc/11/74/40/175117440.db2.gz XSWPFCQTSMKOLD-SOUVJXGZSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887776 175117441 /nfs/dbraw/zinc/11/74/41/175117441.db2.gz XSWPFCQTSMKOLD-SOUVJXGZSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887774 175117842 /nfs/dbraw/zinc/11/78/42/175117842.db2.gz XSWPFCQTSMKOLD-RRFJBIMHSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887774 175117843 /nfs/dbraw/zinc/11/78/43/175117843.db2.gz XSWPFCQTSMKOLD-RRFJBIMHSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](CC)C1CCCC1 ZINC000043890906 175118128 /nfs/dbraw/zinc/11/81/28/175118128.db2.gz BDXARPUKCXZVIC-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](CC)C1CCCC1 ZINC000043890906 175118129 /nfs/dbraw/zinc/11/81/29/175118129.db2.gz BDXARPUKCXZVIC-GJZGRUSLSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895186 175119238 /nfs/dbraw/zinc/11/92/38/175119238.db2.gz DROQSSPVKDRSHR-BPUTZDHNSA-N 2 1 296.455 2.381 10 0 CEAEMP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895186 175119239 /nfs/dbraw/zinc/11/92/39/175119239.db2.gz DROQSSPVKDRSHR-BPUTZDHNSA-N 2 1 296.455 2.381 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(C[NH3+])CCCCC1 ZINC000044762198 175246236 /nfs/dbraw/zinc/24/62/36/175246236.db2.gz REAGTDFWCJGUCX-OAHLLOKOSA-N 2 1 295.471 2.276 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000045136108 175313533 /nfs/dbraw/zinc/31/35/33/175313533.db2.gz FSXBZJYJDFVNQU-LLVKDONJSA-N 2 1 255.431 2.188 10 0 CEAEMP CCCN[C@@](C)(CC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045224160 175332370 /nfs/dbraw/zinc/33/23/70/175332370.db2.gz HDMYKAAPRYKBRP-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045224160 175332371 /nfs/dbraw/zinc/33/23/71/175332371.db2.gz HDMYKAAPRYKBRP-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[N@@H+](CC)C1CCCCC1)C(N)=O ZINC000045224160 175332372 /nfs/dbraw/zinc/33/23/72/175332372.db2.gz HDMYKAAPRYKBRP-INIZCTEOSA-N 2 1 283.460 2.275 10 0 CEAEMP CC(C)C[NH+](CC[C@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045273862 175344429 /nfs/dbraw/zinc/34/44/29/175344429.db2.gz BKALRXSELLPVFK-INIZCTEOSA-N 2 1 285.476 2.233 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375841 175366218 /nfs/dbraw/zinc/36/62/18/175366218.db2.gz DHZKRMPOOAITGT-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CCC[C@@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385972 175371953 /nfs/dbraw/zinc/37/19/53/175371953.db2.gz FONZBPXEFGHTDN-CQSZACIVSA-N 2 1 258.406 2.168 10 0 CEAEMP C[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392839 175375553 /nfs/dbraw/zinc/37/55/53/175375553.db2.gz BBDQQPZTTMWVIT-WFASDCNBSA-N 2 1 270.417 2.038 10 0 CEAEMP C[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392839 175375555 /nfs/dbraw/zinc/37/55/55/175375555.db2.gz BBDQQPZTTMWVIT-WFASDCNBSA-N 2 1 270.417 2.038 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000071141851 176040452 /nfs/dbraw/zinc/04/04/52/176040452.db2.gz DXVPJNYTSGCYDS-DZGCQCFKSA-N 2 1 290.407 2.278 10 0 CEAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187946 176061277 /nfs/dbraw/zinc/06/12/77/176061277.db2.gz GRDVPNYWUIRVSP-BFYDXBDKSA-N 2 1 275.440 2.267 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188046 176061708 /nfs/dbraw/zinc/06/17/08/176061708.db2.gz ZMLHFCYJBUIDGH-SCRDCRAPSA-N 2 1 267.442 2.020 10 0 CEAEMP Cc1ccc(C)c([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071188331 176062735 /nfs/dbraw/zinc/06/27/35/176062735.db2.gz JUTJQFAIOZTTNQ-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP Cc1cc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)ccc1F ZINC000071188361 176063169 /nfs/dbraw/zinc/06/31/69/176063169.db2.gz PDBDEKHROCMLIQ-CJNGLKHVSA-N 2 1 279.403 2.017 10 0 CEAEMP CSc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188611 176063623 /nfs/dbraw/zinc/06/36/23/176063623.db2.gz ONEIRJFQFBDVLW-CJNGLKHVSA-N 2 1 293.480 2.292 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])[C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188715 176064019 /nfs/dbraw/zinc/06/40/19/176064019.db2.gz DSIPWUJWJTTXJP-INMHGKMJSA-N 2 1 275.440 2.267 10 0 CEAEMP Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)c1 ZINC000071190693 176068604 /nfs/dbraw/zinc/06/86/04/176068604.db2.gz VMXZEQDYKMDDTJ-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)c1 ZINC000071190693 176068605 /nfs/dbraw/zinc/06/86/05/176068605.db2.gz VMXZEQDYKMDDTJ-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071190693 176068606 /nfs/dbraw/zinc/06/86/06/176068606.db2.gz VMXZEQDYKMDDTJ-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071190693 176068608 /nfs/dbraw/zinc/06/86/08/176068608.db2.gz VMXZEQDYKMDDTJ-NVXWUHKLSA-N 2 1 276.424 2.220 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)CC1(C[NH2+]C2CC2)CCCC1 ZINC000071191441 176070296 /nfs/dbraw/zinc/07/02/96/176070296.db2.gz XDDCZUQZXKICEF-OAHLLOKOSA-N 2 1 279.472 2.182 10 0 CEAEMP Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192039 176071061 /nfs/dbraw/zinc/07/10/61/176071061.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 2 1 293.455 2.470 10 0 CEAEMP CC(C)[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191828 176071386 /nfs/dbraw/zinc/07/13/86/176071386.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 2 1 279.428 2.161 10 0 CEAEMP CC[NH2+]Cc1nc(N(C)C[C@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000071191789 176072816 /nfs/dbraw/zinc/07/28/16/176072816.db2.gz LPCVEPSMYSZWSZ-LBPRGKRZSA-N 2 1 296.846 2.232 10 0 CEAEMP C[N@@H+](CCNc1ccccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071192289 176073318 /nfs/dbraw/zinc/07/33/18/176073318.db2.gz WXJYIKWLUMXNEE-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1ccccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071192289 176073320 /nfs/dbraw/zinc/07/33/20/176073320.db2.gz WXJYIKWLUMXNEE-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1ccccc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192289 176073321 /nfs/dbraw/zinc/07/33/21/176073321.db2.gz WXJYIKWLUMXNEE-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP C[N@@H+](CCNc1cccc(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071192353 176073450 /nfs/dbraw/zinc/07/34/50/176073450.db2.gz VAFXDOLOYDSQPA-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1cccc(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192353 176073451 /nfs/dbraw/zinc/07/34/51/176073451.db2.gz VAFXDOLOYDSQPA-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1cccc(F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192353 176073453 /nfs/dbraw/zinc/07/34/53/176073453.db2.gz VAFXDOLOYDSQPA-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP CCCC[C@@H](CC)C[N@@H+](CCOC)CCC(N)=[NH2+] ZINC000071229032 176091355 /nfs/dbraw/zinc/09/13/55/176091355.db2.gz KUHQGWZRETZIFH-CYBMUJFWSA-N 2 1 257.422 2.477 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](CC(C)C)[NH2+]CC1(C)C ZINC000071351542 176135066 /nfs/dbraw/zinc/13/50/66/176135066.db2.gz UGUZRRKBZYXHBZ-HNNXBMFYSA-N 2 1 278.444 2.290 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000071355744 176137030 /nfs/dbraw/zinc/13/70/30/176137030.db2.gz QSHALNGHVUVYJZ-UKRRQHHQSA-N 2 1 278.444 2.290 10 0 CEAEMP CC(C)[C@H]([NH3+])CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000136409763 419448085 /nfs/dbraw/zinc/44/80/85/419448085.db2.gz RVKRTOGPZGMMDX-OAHLLOKOSA-N 2 1 283.460 2.131 10 0 CEAEMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258960152 280528378 /nfs/dbraw/zinc/52/83/78/280528378.db2.gz SGEZEPBNTQFCNB-SNVBAGLBSA-N 2 1 299.212 2.157 10 0 CEAEMP CC1(C)C[N@@H+](CCCOCC(F)(F)F)CC[C@H]1[NH3+] ZINC000310683430 281236157 /nfs/dbraw/zinc/23/61/57/281236157.db2.gz SVZGMMQIMOSXSJ-SNVBAGLBSA-N 2 1 268.323 2.015 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000052475778 519727143 /nfs/dbraw/zinc/72/71/43/519727143.db2.gz ZRHOAIFROINMFT-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000052475778 519727146 /nfs/dbraw/zinc/72/71/46/519727146.db2.gz ZRHOAIFROINMFT-AWEZNQCLSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480099 519743771 /nfs/dbraw/zinc/74/37/71/519743771.db2.gz RSMISRDHJDCELM-MRXNPFEDSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@@H+](CC)C1 ZINC000054628961 519911081 /nfs/dbraw/zinc/91/10/81/519911081.db2.gz FVSFYKYEJMUXOA-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCN(CC)C1 ZINC000054628961 519911085 /nfs/dbraw/zinc/91/10/85/519911085.db2.gz FVSFYKYEJMUXOA-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(CC)C1 ZINC000054628961 519911088 /nfs/dbraw/zinc/91/10/88/519911088.db2.gz FVSFYKYEJMUXOA-WTXIUTQJSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccco2)O1 ZINC000052456870 519935687 /nfs/dbraw/zinc/93/56/87/519935687.db2.gz VSYAADZGOVRBPE-HIFRSBDPSA-N 2 1 266.385 2.259 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)Cc2ccco2)O1 ZINC000052570646 519953818 /nfs/dbraw/zinc/95/38/18/519953818.db2.gz SNIVAXWURFTGQU-DZGCQCFKSA-N 2 1 266.385 2.259 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647887 520045065 /nfs/dbraw/zinc/04/50/65/520045065.db2.gz DOKDWWPILGQBQB-DZKIICNBSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647887 520045078 /nfs/dbraw/zinc/04/50/78/520045078.db2.gz DOKDWWPILGQBQB-DZKIICNBSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643199 520042045 /nfs/dbraw/zinc/04/20/45/520042045.db2.gz QLZMMVAWAANBQI-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617303 520042374 /nfs/dbraw/zinc/04/23/74/520042374.db2.gz WZSOGJGWQCKFLR-ZBFHGGJFSA-N 2 1 283.460 2.275 10 0 CEAEMP CCCC[N@@H+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052418782 520480143 /nfs/dbraw/zinc/48/01/43/520480143.db2.gz VQVQWUDTCTYKQJ-UHFFFAOYSA-N 2 1 281.448 2.146 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](Cc1cccs1)C(C)C ZINC000062739735 520517966 /nfs/dbraw/zinc/51/79/66/520517966.db2.gz AEFYOCPGKRWJJF-GFCCVEGCSA-N 2 1 256.415 2.322 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1ccccc1C ZINC000062740898 520516728 /nfs/dbraw/zinc/51/67/28/520516728.db2.gz NSWKFDKLXIFUHB-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP CCN(CC[N@@H+]1CCC[NH2+]CC1)c1cccc(C)c1 ZINC000061275062 521046607 /nfs/dbraw/zinc/04/66/07/521046607.db2.gz GYNBAMSFBNQNDD-UHFFFAOYSA-N 2 1 261.413 2.117 10 0 CEAEMP CCN(CC[N@H+]1CCC[NH2+]CC1)c1cccc(C)c1 ZINC000061275062 521046612 /nfs/dbraw/zinc/04/66/12/521046612.db2.gz GYNBAMSFBNQNDD-UHFFFAOYSA-N 2 1 261.413 2.117 10 0 CEAEMP C[NH2+]CC1(C[NH+]2Cc3ccccc3C2)CCOCC1 ZINC000052182109 521972600 /nfs/dbraw/zinc/97/26/00/521972600.db2.gz LQHNGJSLWUKLAL-UHFFFAOYSA-N 2 1 260.381 2.018 10 0 CEAEMP C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1C[N@@H+](CCOC)C1CC1 ZINC000084942293 517976927 /nfs/dbraw/zinc/97/69/27/517976927.db2.gz LNQLFTBEGLLYAJ-LQKXBSAESA-N 2 1 268.445 2.367 10 0 CEAEMP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCSCC2)O1 ZINC000052371162 518763088 /nfs/dbraw/zinc/76/30/88/518763088.db2.gz FLJHXTGRXUWIAF-KGLIPLIRSA-N 2 1 286.485 2.361 10 0 CEAEMP CC(C)C[N@@H+](CCC[C@H]1CCCC[NH2+]1)CCN(C)C ZINC000050953844 519715806 /nfs/dbraw/zinc/71/58/06/519715806.db2.gz MOQQBZUPGRTPJS-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000049311936 519909141 /nfs/dbraw/zinc/90/91/41/519909141.db2.gz UUQJSVJQXTTXBU-UHFFFAOYSA-N 2 1 268.323 2.029 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054602570 519909735 /nfs/dbraw/zinc/90/97/35/519909735.db2.gz RXGAYJGMOPAVIO-CVGRLMLNSA-N 2 1 277.456 2.218 10 0 CEAEMP CC[NH2+]C[C@@H](C)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702360 519944143 /nfs/dbraw/zinc/94/41/43/519944143.db2.gz OHPLHADTFMHFRM-GDBMZVCRSA-N 2 1 262.397 2.276 10 0 CEAEMP CCC[NH2+]Cc1cc(C[NH+](CCOC)CCOC)oc1C ZINC000052571393 519944766 /nfs/dbraw/zinc/94/47/66/519944766.db2.gz XADOWUBASQWZMX-UHFFFAOYSA-N 2 1 298.427 2.182 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@H]1C ZINC000052476102 519956742 /nfs/dbraw/zinc/95/67/42/519956742.db2.gz GHBAUJOIQFSOBJ-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1CCOC[C@H]1C ZINC000052476102 519956750 /nfs/dbraw/zinc/95/67/50/519956750.db2.gz GHBAUJOIQFSOBJ-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1coc(C[N@@H+](CC)CCOC)c1 ZINC000052542740 519964785 /nfs/dbraw/zinc/96/47/85/519964785.db2.gz YZJVJMAMFUOUGC-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000053011069 519975680 /nfs/dbraw/zinc/97/56/80/519975680.db2.gz JEYRMBJNVJWYOL-OAHLLOKOSA-N 2 1 262.397 2.169 10 0 CEAEMP CCC[NH2+][C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069074385 520008850 /nfs/dbraw/zinc/00/88/50/520008850.db2.gz UJBWNNJMSLGDLJ-INIZCTEOSA-N 3 1 267.461 2.038 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121977 520092608 /nfs/dbraw/zinc/09/26/08/520092608.db2.gz QIXHBAKKLZLXFZ-IRXDYDNUSA-N 3 1 281.488 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617307 520111836 /nfs/dbraw/zinc/11/18/36/520111836.db2.gz WZSOGJGWQCKFLR-GDBMZVCRSA-N 2 1 283.460 2.275 10 0 CEAEMP CC[NH2+][C@H](C)c1sc(N2CC[NH+](C3CC3)CC2)nc1C ZINC000054909491 520183573 /nfs/dbraw/zinc/18/35/73/520183573.db2.gz BBQSRIKQIYSDIZ-LLVKDONJSA-N 2 1 294.468 2.406 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953647 520318737 /nfs/dbraw/zinc/31/87/37/520318737.db2.gz CFSJDDGBUWQNDE-LSDHHAIUSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH+](CC)C[C@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000052206274 520735533 /nfs/dbraw/zinc/73/55/33/520735533.db2.gz YOKBOLQQXFNSOU-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[C@@]1(C(=O)NCCCC[N@@H+](C)C(C)C)CC[NH2+]C1 ZINC000062902955 520942721 /nfs/dbraw/zinc/94/27/21/520942721.db2.gz CIOBTYSRFCQLLY-MRXNPFEDSA-N 2 1 283.460 2.003 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C)c(C)o1)[C@H](C)COC ZINC000052504774 521290597 /nfs/dbraw/zinc/29/05/97/521290597.db2.gz VIRRHLHKSRGJSX-LLVKDONJSA-N 2 1 254.374 2.164 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763387 521438892 /nfs/dbraw/zinc/43/88/92/521438892.db2.gz KSLQULLVRDEPIO-CQSZACIVSA-N 2 1 256.434 2.249 10 0 CEAEMP CCCc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)sc1C[NH3+] ZINC000054998280 521529882 /nfs/dbraw/zinc/52/98/82/521529882.db2.gz UXAKHKBJBGITDQ-NSHDSACASA-N 2 1 282.457 2.085 10 0 CEAEMP CCC[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])OCC ZINC000062739586 521686945 /nfs/dbraw/zinc/68/69/45/521686945.db2.gz YGRASCCYZSDMPQ-OAHLLOKOSA-N 2 1 250.386 2.262 10 0 CEAEMP CC[N@H+]1CCN(c2nc(C3CC3)c(C[NH2+]C)s2)C[C@@H]1C ZINC000069182930 521700802 /nfs/dbraw/zinc/70/08/02/521700802.db2.gz XQAAQWAYMDEXAY-NSHDSACASA-N 2 1 294.468 2.270 10 0 CEAEMP CC[N@H+]1CC[C@H](Cn2c(C)[nH+]c3cc(N)ccc32)C1 ZINC000052853064 521717558 /nfs/dbraw/zinc/71/75/58/521717558.db2.gz IJOYJYKFRFRALX-LBPRGKRZSA-N 2 1 258.369 2.269 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@H](C(C)C)C2)c1C ZINC000068692581 521812250 /nfs/dbraw/zinc/81/22/50/521812250.db2.gz YWQNWZLGXSYURK-AWEZNQCLSA-N 2 1 277.412 2.137 10 0 CEAEMP COc1c(C)c[nH+]c(Cn2nc(C)c(CC[NH3+])c2C)c1C ZINC000054740941 521814767 /nfs/dbraw/zinc/81/47/67/521814767.db2.gz UWPWDZYZAWVKIH-UHFFFAOYSA-N 2 1 288.395 2.070 10 0 CEAEMP CN(C)C[C@H]1CCC[N@@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000061654611 521871557 /nfs/dbraw/zinc/87/15/57/521871557.db2.gz SLOQWIQHFYYIEC-CYBMUJFWSA-N 2 1 287.407 2.418 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000061654611 521871563 /nfs/dbraw/zinc/87/15/63/521871563.db2.gz SLOQWIQHFYYIEC-CYBMUJFWSA-N 2 1 287.407 2.418 10 0 CEAEMP C[NH2+]C[C@@H](C)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052418994 522029995 /nfs/dbraw/zinc/02/99/95/522029995.db2.gz NAMLGBKXNWXGTL-CYBMUJFWSA-N 2 1 281.831 2.318 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2F)O1 ZINC000052541464 522094499 /nfs/dbraw/zinc/09/44/99/522094499.db2.gz LQSSPBVMBLLQOG-KGLIPLIRSA-N 2 1 266.360 2.025 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382624 522100769 /nfs/dbraw/zinc/10/07/69/522100769.db2.gz REJQSMFEVADAKX-LBPRGKRZSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382624 522100782 /nfs/dbraw/zinc/10/07/82/522100782.db2.gz REJQSMFEVADAKX-LBPRGKRZSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)on1 ZINC000052546714 522105016 /nfs/dbraw/zinc/10/50/16/522105016.db2.gz VQNVFQFBYUSYMQ-FZMZJTMJSA-N 2 1 251.374 2.405 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083441 522119399 /nfs/dbraw/zinc/11/93/99/522119399.db2.gz XOYRHOMWNZZQSV-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540372 522137364 /nfs/dbraw/zinc/13/73/64/522137364.db2.gz LAODJGXGBWVUFF-JKSUJKDBSA-N 2 1 260.381 2.159 10 0 CEAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCN(c2ncccc2C)CC1 ZINC000051040746 522497450 /nfs/dbraw/zinc/49/74/50/522497450.db2.gz JNDGMIUZLVWANR-HNNXBMFYSA-N 2 1 276.428 2.030 10 0 CEAEMP C[N@@H+](CCC[C@H]1CCCC[NH2+]1)CCc1ccncc1 ZINC000050952808 522787117 /nfs/dbraw/zinc/78/71/17/522787117.db2.gz ZLDBWUWLTAILHI-MRXNPFEDSA-N 2 1 261.413 2.478 10 0 CEAEMP C[N@@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CCCCC1 ZINC000052419330 522997669 /nfs/dbraw/zinc/99/76/69/522997669.db2.gz VCGJDKJZHBPNMX-UHFFFAOYSA-N 2 1 293.459 2.431 10 0 CEAEMP CC[C@H]1CCC[N@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052375178 523108542 /nfs/dbraw/zinc/10/85/42/523108542.db2.gz XQVCCVAQZMHHAG-AWEZNQCLSA-N 2 1 279.432 2.041 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052543287 523258657 /nfs/dbraw/zinc/25/86/57/523258657.db2.gz FFUMBNUGCJWDKQ-INIZCTEOSA-N 2 1 288.476 2.386 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953204 523350605 /nfs/dbraw/zinc/35/06/05/523350605.db2.gz NBHXCDPBQPSZEG-ILXRZTDVSA-N 2 1 254.418 2.408 10 0 CEAEMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000052572856 523616360 /nfs/dbraw/zinc/61/63/60/523616360.db2.gz AGOVVXZFFMZLJF-UHFFFAOYSA-N 2 1 294.439 2.389 10 0 CEAEMP COCC[N@@H+](C)Cc1ccccc1C[NH2+]C(C)C ZINC000052572959 523624767 /nfs/dbraw/zinc/62/47/67/523624767.db2.gz XGYGUQZODHHCKG-UHFFFAOYSA-N 2 1 250.386 2.263 10 0 CEAEMP COCC[N@@H+]([C@H](C)CC[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545476 523780322 /nfs/dbraw/zinc/78/03/22/523780322.db2.gz GVOOMEFREBTRIA-OLZOCXBDSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@H](C)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181189 523915141 /nfs/dbraw/zinc/91/51/41/523915141.db2.gz UJEJMVMEAGECMV-ZDUSSCGKSA-N 2 1 254.418 2.266 10 0 CEAEMP C[N@@H+]1CC[C@@H](n2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052854688 523969886 /nfs/dbraw/zinc/96/98/86/523969886.db2.gz RESHSLULGDEVNA-GFCCVEGCSA-N 2 1 256.353 2.373 10 0 CEAEMP C[N@H+]1CC[C@@H](n2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052854688 523969889 /nfs/dbraw/zinc/96/98/89/523969889.db2.gz RESHSLULGDEVNA-GFCCVEGCSA-N 2 1 256.353 2.373 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCCC[N@@H+]1CCCC(C)(C)C1 ZINC000069517099 524001438 /nfs/dbraw/zinc/00/14/38/524001438.db2.gz GPYPIQFZEQSFFP-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCCC[N@H+]1CCCC(C)(C)C1 ZINC000069517099 524001441 /nfs/dbraw/zinc/00/14/41/524001441.db2.gz GPYPIQFZEQSFFP-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CC[C@H](C)[NH2+]1 ZINC000051087204 524506426 /nfs/dbraw/zinc/50/64/26/524506426.db2.gz ZKOODWFRIKRWJS-LZWOXQAQSA-N 2 1 274.408 2.453 10 0 CEAEMP C[C@@H](C[NH3+])C[N@H+]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872133 524582179 /nfs/dbraw/zinc/58/21/79/524582179.db2.gz ZTKGHFVXDLJZSF-ZDUSSCGKSA-N 2 1 297.393 2.067 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757286 525015823 /nfs/dbraw/zinc/01/58/23/525015823.db2.gz UZJRXKSJVHIYIG-FVQBIDKESA-N 2 1 262.397 2.312 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757286 525015829 /nfs/dbraw/zinc/01/58/29/525015829.db2.gz UZJRXKSJVHIYIG-FVQBIDKESA-N 2 1 262.397 2.312 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087211 525105155 /nfs/dbraw/zinc/10/51/55/525105155.db2.gz SVZYNCTXAAQQOK-YCPHGPKFSA-N 2 1 274.408 2.310 10 0 CEAEMP C[C@]1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000062911045 525244108 /nfs/dbraw/zinc/24/41/08/525244108.db2.gz YKIBUYBJDDSBIX-INIZCTEOSA-N 2 1 293.842 2.462 10 0 CEAEMP Cc1nc(N2CC[NH+](C3CC3)CC2)sc1C[NH2+]C(C)C ZINC000055002241 526969072 /nfs/dbraw/zinc/96/90/72/526969072.db2.gz DYJVUKDJZKUGGA-UHFFFAOYSA-N 2 1 294.468 2.234 10 0 CEAEMP [NH3+]Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000061702261 527261020 /nfs/dbraw/zinc/26/10/20/527261020.db2.gz FNILCXPNZONLQO-MRXNPFEDSA-N 2 1 283.375 2.194 10 0 CEAEMP NNc1[nH+]cccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052718530 527288101 /nfs/dbraw/zinc/28/81/01/527288101.db2.gz VMMHWMZFUNNAGY-CHWSQXEVSA-N 2 1 260.385 2.379 10 0 CEAEMP CC[NH2+]Cc1ccc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)nc1 ZINC000094443278 535479489 /nfs/dbraw/zinc/47/94/89/535479489.db2.gz IQIDCAWYKVLUCZ-HOCLYGCPSA-N 2 1 288.439 2.254 10 0 CEAEMP Cc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1Br ZINC000685965573 574823581 /nfs/dbraw/zinc/82/35/81/574823581.db2.gz JWYXLPAMSBTHSV-PWSUYJOCSA-N 2 1 269.186 2.162 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000261606190 623394278 /nfs/dbraw/zinc/39/42/78/623394278.db2.gz RMCHZKLPJIECOG-TUKIKUTGSA-N 2 1 280.799 2.388 10 0 CEAEMP CCN1CCC[C@H]1C[N@@H+](C)CCCCCCC[NH3+] ZINC000092633591 628344152 /nfs/dbraw/zinc/34/41/52/628344152.db2.gz PRBJWCHJEPAOQH-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@H]1CN(C)CCCCCCC[NH3+] ZINC000092633591 628344153 /nfs/dbraw/zinc/34/41/53/628344153.db2.gz PRBJWCHJEPAOQH-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)CCCCCCC[NH3+] ZINC000092633591 628344155 /nfs/dbraw/zinc/34/41/55/628344155.db2.gz PRBJWCHJEPAOQH-HNNXBMFYSA-N 2 1 255.450 2.312 10 0 CEAEMP CC1(C)CCC(C[NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399005481 628768859 /nfs/dbraw/zinc/76/88/59/628768859.db2.gz XNLHHOCPWUEVSU-UHFFFAOYSA-N 2 1 268.445 2.249 10 0 CEAEMP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399192882 628782656 /nfs/dbraw/zinc/78/26/56/628782656.db2.gz QQRMIHRXUMYTJG-CYBMUJFWSA-N 2 1 256.434 2.248 10 0 CEAEMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC000261557321 628937936 /nfs/dbraw/zinc/93/79/36/628937936.db2.gz CNCHXRSRWVLMAY-KBXIAJHMSA-N 2 1 252.402 2.018 10 0 CEAEMP Brc1ccsc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000087575916 639680331 /nfs/dbraw/zinc/68/03/31/639680331.db2.gz JZLRSBSVQMSFKV-QMMMGPOBSA-N 2 1 275.215 2.210 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818487 185115174 /nfs/dbraw/zinc/11/51/74/185115174.db2.gz PADNYABCJTVRQM-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818487 185115176 /nfs/dbraw/zinc/11/51/76/185115176.db2.gz PADNYABCJTVRQM-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@H](CO)CC[N@@H+](CCC(C)C)C1CC1 ZINC000096836946 185116285 /nfs/dbraw/zinc/11/62/85/185116285.db2.gz KFWCKAAVNHAXRD-AWEZNQCLSA-N 2 1 256.434 2.248 10 0 CEAEMP c1ccc(C[N@@H+]2CCSCC23CC[NH2+]CC3)cc1 ZINC000096949200 185137939 /nfs/dbraw/zinc/13/79/39/185137939.db2.gz ASWWCOYZGCKYPA-UHFFFAOYSA-N 2 1 262.422 2.358 10 0 CEAEMP c1ccc(C[N@H+]2CCSCC23CC[NH2+]CC3)cc1 ZINC000096949200 185137940 /nfs/dbraw/zinc/13/79/40/185137940.db2.gz ASWWCOYZGCKYPA-UHFFFAOYSA-N 2 1 262.422 2.358 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCC)CC1 ZINC000037825982 361950651 /nfs/dbraw/zinc/95/06/51/361950651.db2.gz FDWPXMMNIWSAIX-HNNXBMFYSA-N 2 1 283.460 2.084 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000679577853 539330761 /nfs/dbraw/zinc/33/07/61/539330761.db2.gz WGZKVTWBDTZCTL-CVEARBPZSA-N 2 1 266.429 2.002 10 0 CEAEMP C[C@@H]1C[C@H](N2CC[C@H]([NH3+])C[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307637304 344723898 /nfs/dbraw/zinc/72/38/98/344723898.db2.gz WRLXYLZYLLOXFD-FZCLSBEQSA-N 2 1 287.451 2.461 10 0 CEAEMP C1CC([C@H]2CCCCC[N@H+]2C2CCOCC2)CC[NH2+]1 ZINC000085403689 179052857 /nfs/dbraw/zinc/05/28/57/179052857.db2.gz YOVWCWYNWUVFIG-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP OCCCCC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403793 179052996 /nfs/dbraw/zinc/05/29/96/179052996.db2.gz DZVTVTGDJHSCSB-MRXNPFEDSA-N 2 1 268.445 2.393 10 0 CEAEMP CC(C)NC(=O)[C@H](C)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403510 179053004 /nfs/dbraw/zinc/05/30/04/179053004.db2.gz ZRKWABRFSZWVDY-GOEBONIOSA-N 2 1 295.471 2.144 10 0 CEAEMP CCCc1nc2c(n1[C@H]1CCC[N@@H+](CC)C1)CC[NH2+]C2 ZINC000085572804 179097999 /nfs/dbraw/zinc/09/79/99/179097999.db2.gz UUUXNKUEUXFZRC-ZDUSSCGKSA-N 2 1 276.428 2.138 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085529400 179091954 /nfs/dbraw/zinc/09/19/54/179091954.db2.gz QDWNIWPZFLYPTC-SJORKVTESA-N 2 1 288.439 2.044 10 0 CEAEMP CC(C)Cc1nc2c(n1C[C@H]1CCC[N@@H+](C)C1)CC[NH2+]C2 ZINC000085572757 179096906 /nfs/dbraw/zinc/09/69/06/179096906.db2.gz PCZNTVYKJAQALI-AWEZNQCLSA-N 2 1 290.455 2.069 10 0 CEAEMP C1CC1c1nc2c(n1[C@@H]1CC[N@H+]3CCCC[C@@H]13)CC[NH2+]C2 ZINC000085573583 179099636 /nfs/dbraw/zinc/09/96/36/179099636.db2.gz NOQUFHGGLAFUCN-JKSUJKDBSA-N 2 1 286.423 2.206 10 0 CEAEMP Cn1c2ccccc2[nH+]c1NC[C@]1(C)CCC[NH2+]C1 ZINC000129327919 365846920 /nfs/dbraw/zinc/84/69/20/365846920.db2.gz NFYXFTQUOPOWDT-OAHLLOKOSA-N 2 1 258.369 2.375 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCN[C@@](C)(c3ccccc3)C2)CC1 ZINC000086145630 179238160 /nfs/dbraw/zinc/23/81/60/179238160.db2.gz YQBFCALAQUEUIU-GOSISDBHSA-N 2 1 287.451 2.149 10 0 CEAEMP CC[C@H](C)[C@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172106 179244447 /nfs/dbraw/zinc/24/44/47/179244447.db2.gz RURXMBMRKLYMAR-HZMVEIRTSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@H]1C[NH2+]C(CC)(CC)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223095 179250964 /nfs/dbraw/zinc/25/09/64/179250964.db2.gz OUPMFZNXFDWWRO-CABCVRRESA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[C@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223179 179251541 /nfs/dbraw/zinc/25/15/41/179251541.db2.gz UUWDXNWAEUYIHU-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225401 179253084 /nfs/dbraw/zinc/25/30/84/179253084.db2.gz SRFMLLLTKFREOL-HUUCEWRRSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086225380 179253093 /nfs/dbraw/zinc/25/30/93/179253093.db2.gz RAQJKXGKLWTJRC-ZACQAIPSSA-N 2 1 279.472 2.323 10 0 CEAEMP CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261044 179260318 /nfs/dbraw/zinc/26/03/18/179260318.db2.gz FVQFTRMBCBGDCN-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261044 179260319 /nfs/dbraw/zinc/26/03/19/179260319.db2.gz FVQFTRMBCBGDCN-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CCC1(CC)C[N@H+](CCCC[NH+](C)C)[C@@H](C)CN1 ZINC000086261084 179260561 /nfs/dbraw/zinc/26/05/61/179260561.db2.gz OGRCSILYYXFVQS-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC1(CC)C[N@@H+](CCCC[NH+](C)C)[C@@H](C)CN1 ZINC000086261084 179260563 /nfs/dbraw/zinc/26/05/63/179260563.db2.gz OGRCSILYYXFVQS-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP Fc1cccc(CC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086287257 179264884 /nfs/dbraw/zinc/26/48/84/179264884.db2.gz CGYINNMCVVANPV-INIZCTEOSA-N 2 1 262.372 2.442 10 0 CEAEMP Fc1cccc(CC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086287257 179264885 /nfs/dbraw/zinc/26/48/85/179264885.db2.gz CGYINNMCVVANPV-INIZCTEOSA-N 2 1 262.372 2.442 10 0 CEAEMP CC[C@H]1CN[C@@](C)(CC)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259054 179257057 /nfs/dbraw/zinc/25/70/57/179257057.db2.gz LPIZUJNNCSGGQP-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(CC)CN1CC1CC[NH+](C)CC1 ZINC000086259054 179257059 /nfs/dbraw/zinc/25/70/59/179257059.db2.gz LPIZUJNNCSGGQP-HOTGVXAUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C(C)(C)C)NC[C@@H]2C)CC1 ZINC000086259178 179257506 /nfs/dbraw/zinc/25/75/06/179257506.db2.gz DTDQEYVQGOFGJC-HOCLYGCPSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH+]1CCC(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086259178 179257508 /nfs/dbraw/zinc/25/75/08/179257508.db2.gz DTDQEYVQGOFGJC-HOCLYGCPSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259118 179257513 /nfs/dbraw/zinc/25/75/13/179257513.db2.gz DQKNOGUFTROAKU-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086259118 179257515 /nfs/dbraw/zinc/25/75/15/179257515.db2.gz DQKNOGUFTROAKU-IRXDYDNUSA-N 2 1 281.488 2.427 10 0 CEAEMP c1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000086293896 179268129 /nfs/dbraw/zinc/26/81/29/179268129.db2.gz LKWMCGZHPCFKKJ-HOTGVXAUSA-N 2 1 272.392 2.064 10 0 CEAEMP c1ccc2c(c1)C[C@@H](C[N@H+]1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000086293896 179268132 /nfs/dbraw/zinc/26/81/32/179268132.db2.gz LKWMCGZHPCFKKJ-HOTGVXAUSA-N 2 1 272.392 2.064 10 0 CEAEMP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000086399737 179285060 /nfs/dbraw/zinc/28/50/60/179285060.db2.gz DLKHUQHXJJBKJY-QWRGUYRKSA-N 2 1 269.186 2.419 10 0 CEAEMP C[NH2+][C@H]1CCCc2sc(N3CC[N@@H+](C)C(C)(C)C3)nc21 ZINC000086444165 179293706 /nfs/dbraw/zinc/29/37/06/179293706.db2.gz MBYYMWFKAMJWJC-NSHDSACASA-N 2 1 294.468 2.270 10 0 CEAEMP C[C@@H]1CCC[C@]1(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000086677175 179319407 /nfs/dbraw/zinc/31/94/07/179319407.db2.gz UQYFLFSAVWRVSZ-NVXWUHKLSA-N 2 1 279.472 2.312 10 0 CEAEMP COCc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818817 179347514 /nfs/dbraw/zinc/34/75/14/179347514.db2.gz JXMAHYGOCIJNIY-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@@H]1CCC[NH+](C)CC1 ZINC000086818999 179348378 /nfs/dbraw/zinc/34/83/78/179348378.db2.gz RNYUDTFFKXKXAU-OAHLLOKOSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818999 179348380 /nfs/dbraw/zinc/34/83/80/179348380.db2.gz RNYUDTFFKXKXAU-OAHLLOKOSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[NH+](C)CCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818999 179348381 /nfs/dbraw/zinc/34/83/81/179348381.db2.gz RNYUDTFFKXKXAU-OAHLLOKOSA-N 3 1 255.450 2.181 10 0 CEAEMP CC(C)[N@H+](C)CCCC[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818999 179348383 /nfs/dbraw/zinc/34/83/83/179348383.db2.gz RNYUDTFFKXKXAU-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818999 179348384 /nfs/dbraw/zinc/34/83/84/179348384.db2.gz RNYUDTFFKXKXAU-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CN(CC1CCCCC1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819417 179348643 /nfs/dbraw/zinc/34/86/43/179348643.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[N@H+](CC1CCCCC1)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819417 179348644 /nfs/dbraw/zinc/34/86/44/179348644.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[N@@H+](CC1CCCCC1)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819417 179348645 /nfs/dbraw/zinc/34/86/45/179348645.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[NH+](CC1CCCCC1)[C@@]1(CN)CCC[N@H+](C)CC1 ZINC000086819417 179348646 /nfs/dbraw/zinc/34/86/46/179348646.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[NH+](CC1CCCCC1)[C@@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819417 179348647 /nfs/dbraw/zinc/34/86/47/179348647.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP C[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818833 179348925 /nfs/dbraw/zinc/34/89/25/179348925.db2.gz NEKOTMUPEZYDDP-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818833 179348927 /nfs/dbraw/zinc/34/89/27/179348927.db2.gz NEKOTMUPEZYDDP-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818833 179348930 /nfs/dbraw/zinc/34/89/30/179348930.db2.gz NEKOTMUPEZYDDP-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CC(C)[NH+](CCN[C@H]1CCC[N@@H+](C)CC1)C(C)C ZINC000086817018 179344807 /nfs/dbraw/zinc/34/48/07/179344807.db2.gz GDJIKULTERFXOI-HNNXBMFYSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)CCC(C)C)CC1 ZINC000086847654 179356248 /nfs/dbraw/zinc/35/62/48/179356248.db2.gz GLPKTWSPBVSRMJ-OAHLLOKOSA-N 2 1 255.450 2.168 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848490 179356890 /nfs/dbraw/zinc/35/68/90/179356890.db2.gz OAMYCXQXQNIIJS-INIZCTEOSA-N 2 1 267.461 2.310 10 0 CEAEMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086839893 179350911 /nfs/dbraw/zinc/35/09/11/179350911.db2.gz VWEXLMDQYPIPNS-GJZGRUSLSA-N 2 1 283.460 2.096 10 0 CEAEMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086839893 179350914 /nfs/dbraw/zinc/35/09/14/179350914.db2.gz VWEXLMDQYPIPNS-GJZGRUSLSA-N 2 1 283.460 2.096 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840333 179351873 /nfs/dbraw/zinc/35/18/73/179351873.db2.gz AHVJIPSJLXYKBQ-HNNXBMFYSA-N 2 1 279.472 2.466 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840333 179351875 /nfs/dbraw/zinc/35/18/75/179351875.db2.gz AHVJIPSJLXYKBQ-HNNXBMFYSA-N 2 1 279.472 2.466 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840333 179351878 /nfs/dbraw/zinc/35/18/78/179351878.db2.gz AHVJIPSJLXYKBQ-HNNXBMFYSA-N 2 1 279.472 2.466 10 0 CEAEMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086841975 179353440 /nfs/dbraw/zinc/35/34/40/179353440.db2.gz IJRVVUULCVGYGO-LSDHHAIUSA-N 2 1 283.460 2.144 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840459 179353709 /nfs/dbraw/zinc/35/37/09/179353709.db2.gz BDZBALNOYKDLJF-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000086840459 179353712 /nfs/dbraw/zinc/35/37/12/179353712.db2.gz BDZBALNOYKDLJF-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000086840459 179353715 /nfs/dbraw/zinc/35/37/15/179353715.db2.gz BDZBALNOYKDLJF-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358420 /nfs/dbraw/zinc/35/84/20/179358420.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+]2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358422 /nfs/dbraw/zinc/35/84/22/179358422.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+]2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358423 /nfs/dbraw/zinc/35/84/23/179358423.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358425 /nfs/dbraw/zinc/35/84/25/179358425.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358427 /nfs/dbraw/zinc/35/84/27/179358427.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N(CC)[C@@H]2CCC[NH2+]C2)CC1 ZINC000086851099 179358889 /nfs/dbraw/zinc/35/88/89/179358889.db2.gz OBZKOEZJXUWICT-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP [NH3+]C[C@@]1([N@H+]2CCCc3ccccc3C2)CCCOCC1 ZINC000086875753 179365612 /nfs/dbraw/zinc/36/56/12/179365612.db2.gz ZTUGCOZQLORUCG-QGZVFWFLSA-N 2 1 274.408 2.333 10 0 CEAEMP C[C@H]1SCCC[C@@]1(C[NH3+])[NH2+]Cc1cccs1 ZINC000086946368 179367892 /nfs/dbraw/zinc/36/78/92/179367892.db2.gz JBIBHGAISHYLAE-PWSUYJOCSA-N 2 1 256.440 2.451 10 0 CEAEMP C(COC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000087778113 179484642 /nfs/dbraw/zinc/48/46/42/179484642.db2.gz RNVQNNJWQICEDR-GDBMZVCRSA-N 2 1 266.429 2.410 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc3ccnnc32)CC1 ZINC000616600326 348530124 /nfs/dbraw/zinc/53/01/24/348530124.db2.gz BTUQUMRXIJIZCY-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc3ccnnc32)CC1 ZINC000616600326 348530127 /nfs/dbraw/zinc/53/01/27/348530127.db2.gz BTUQUMRXIJIZCY-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC000090566291 180005245 /nfs/dbraw/zinc/00/52/45/180005245.db2.gz OLZGFQPRPWETQX-SJORKVTESA-N 2 1 276.424 2.441 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000090565998 180005281 /nfs/dbraw/zinc/00/52/81/180005281.db2.gz FRBKQGDKZHTMPP-JKSUJKDBSA-N 2 1 262.397 2.133 10 0 CEAEMP C[N@H+](CCc1ccc2c(c1)CCO2)CCC1CC[NH2+]CC1 ZINC000090694048 180026071 /nfs/dbraw/zinc/02/60/71/180026071.db2.gz SDAJNYPXTMIOLS-UHFFFAOYSA-N 2 1 288.435 2.486 10 0 CEAEMP c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O2 ZINC000090874331 180050015 /nfs/dbraw/zinc/05/00/15/180050015.db2.gz MBFIDSATWZUCCB-XJKSGUPXSA-N 2 1 272.392 2.064 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090876292 180051768 /nfs/dbraw/zinc/05/17/68/180051768.db2.gz UBSYZLXXKSJWOX-QLFBSQMISA-N 2 1 260.381 2.049 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878922 180053148 /nfs/dbraw/zinc/05/31/48/180053148.db2.gz WJVZOCSESARQFG-ZOWXZIJZSA-N 2 1 278.371 2.188 10 0 CEAEMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2NC(C)=O)C1 ZINC000090960157 180075369 /nfs/dbraw/zinc/07/53/69/180075369.db2.gz FVDPWPDHEMWRGV-GFCCVEGCSA-N 2 1 281.425 2.138 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2sccc2NC(C)=O)C1 ZINC000090960157 180075370 /nfs/dbraw/zinc/07/53/70/180075370.db2.gz FVDPWPDHEMWRGV-GFCCVEGCSA-N 2 1 281.425 2.138 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ncccc12 ZINC000091019419 180087873 /nfs/dbraw/zinc/08/78/73/180087873.db2.gz VVIWGQBKQMTBOS-YHWZYXNKSA-N 2 1 256.353 2.017 10 0 CEAEMP CCC[NH2+]Cc1cn(Cc2c[nH+]cn2C)c2ncccc12 ZINC000091020232 180088039 /nfs/dbraw/zinc/08/80/39/180088039.db2.gz JTFYTPOTJOXGKU-UHFFFAOYSA-N 2 1 283.379 2.318 10 0 CEAEMP c1cc(C[N@H+](CC[C@H]2C[NH2+]CCO2)C2CC2)cs1 ZINC000091313822 180132521 /nfs/dbraw/zinc/13/25/21/180132521.db2.gz POWNAWFSZQQZSP-AWEZNQCLSA-N 2 1 266.410 2.091 10 0 CEAEMP c1csc(C[N@H+](CC[C@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000091313873 180133023 /nfs/dbraw/zinc/13/30/23/180133023.db2.gz JVHSGYQQSQWYGS-ZDUSSCGKSA-N 2 1 266.410 2.091 10 0 CEAEMP C[NH2+][C@H](CC[N@@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091489216 180168392 /nfs/dbraw/zinc/16/83/92/180168392.db2.gz FCTGVBJUGLCUPM-AVVWSFFYSA-N 2 1 262.397 2.040 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091392779 180145410 /nfs/dbraw/zinc/14/54/10/180145410.db2.gz FSYVLHUQENXESF-LVQVYYBASA-N 2 1 267.461 2.166 10 0 CEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091392779 180145413 /nfs/dbraw/zinc/14/54/13/180145413.db2.gz FSYVLHUQENXESF-LVQVYYBASA-N 2 1 267.461 2.166 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000091405175 180147426 /nfs/dbraw/zinc/14/74/26/180147426.db2.gz ZJMUUKNIVNLMSG-KGLIPLIRSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCCCC1 ZINC000091568148 180195080 /nfs/dbraw/zinc/19/50/80/180195080.db2.gz CALJTIMCOSPZNM-HNNXBMFYSA-N 2 1 290.455 2.449 10 0 CEAEMP CCn1cc(C[C@@H]([NH2+]C)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091606298 180204705 /nfs/dbraw/zinc/20/47/05/180204705.db2.gz SDPIECRUWTZOEZ-HZPDHXFCSA-N 2 1 278.444 2.298 10 0 CEAEMP CCn1nc(C)cc1C[C@@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 ZINC000091605393 180204771 /nfs/dbraw/zinc/20/47/71/180204771.db2.gz RNSOQMMFZHNOAW-HZPDHXFCSA-N 2 1 278.444 2.346 10 0 CEAEMP CC[NH2+][C@H](Cc1ccncc1)C1([NH+](C)C)CCCC1 ZINC000091638184 180212520 /nfs/dbraw/zinc/21/25/20/180212520.db2.gz GJQOTNTVFLIVIS-OAHLLOKOSA-N 2 1 261.413 2.477 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1c[nH+]ccc1N ZINC000091716778 180232714 /nfs/dbraw/zinc/23/27/14/180232714.db2.gz LICFNPFLXHVVFS-HNNXBMFYSA-N 3 1 278.444 2.306 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721479 180237801 /nfs/dbraw/zinc/23/78/01/180237801.db2.gz VKODIYHFPIQHKK-KZNAEPCWSA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721479 180237805 /nfs/dbraw/zinc/23/78/05/180237805.db2.gz VKODIYHFPIQHKK-KZNAEPCWSA-N 2 1 288.435 2.297 10 0 CEAEMP CC[N@H+]([C@@H](C)c1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000091780857 180253572 /nfs/dbraw/zinc/25/35/72/180253572.db2.gz HYJSHEZERVZVRU-NSHDSACASA-N 2 1 280.368 2.201 10 0 CEAEMP CC[N@@H+]([C@@H](C)c1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000091780857 180253575 /nfs/dbraw/zinc/25/35/75/180253575.db2.gz HYJSHEZERVZVRU-NSHDSACASA-N 2 1 280.368 2.201 10 0 CEAEMP CC(C)[NH2+]Cc1csc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091722566 180239943 /nfs/dbraw/zinc/23/99/43/180239943.db2.gz QDTMKMJMNKWZDD-OLZOCXBDSA-N 2 1 281.425 2.177 10 0 CEAEMP CC(C)[NH2+]Cc1csc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091722566 180239945 /nfs/dbraw/zinc/23/99/45/180239945.db2.gz QDTMKMJMNKWZDD-OLZOCXBDSA-N 2 1 281.425 2.177 10 0 CEAEMP CC[NH2+][C@H](C)c1csc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091722519 180240279 /nfs/dbraw/zinc/24/02/79/180240279.db2.gz UDVVJZPKJNNJCZ-WZRBSPASSA-N 2 1 281.425 2.349 10 0 CEAEMP CC[NH2+][C@H](C)c1csc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091722519 180240282 /nfs/dbraw/zinc/24/02/82/180240282.db2.gz UDVVJZPKJNNJCZ-WZRBSPASSA-N 2 1 281.425 2.349 10 0 CEAEMP C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091848046 180270910 /nfs/dbraw/zinc/27/09/10/180270910.db2.gz DRBDOENFMSDSIZ-YMAMQOFZSA-N 2 1 260.381 2.192 10 0 CEAEMP CC[N@@H+](Cc1cc(C(N)=O)ccc1F)C1CCC([NH3+])CC1 ZINC000091850981 180272192 /nfs/dbraw/zinc/27/21/92/180272192.db2.gz ZNLAPROBLAVVLH-UHFFFAOYSA-N 2 1 293.386 2.016 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000091870031 180276910 /nfs/dbraw/zinc/27/69/10/180276910.db2.gz DQMBQGWTOMOMKZ-WUCCLRPBSA-N 2 1 254.418 2.142 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000091870301 180276935 /nfs/dbraw/zinc/27/69/35/180276935.db2.gz QIDWIRNQVJBRST-YMAMQOFZSA-N 2 1 254.418 2.408 10 0 CEAEMP CCc1cc(N(C)C2CCC([NH2+]C)CC2)nc(C)[nH+]1 ZINC000091870903 180277046 /nfs/dbraw/zinc/27/70/46/180277046.db2.gz IIGIAZJQLWBRNH-UHFFFAOYSA-N 2 1 262.401 2.314 10 0 CEAEMP CCC1CCC(C[NH3+])(OC[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000092050590 180312248 /nfs/dbraw/zinc/31/22/48/180312248.db2.gz CCOGNKNQSUZMNC-HWOWSKLDSA-N 2 1 284.444 2.021 10 0 CEAEMP CCC1CCC(C[NH3+])(OC[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000092050590 180312250 /nfs/dbraw/zinc/31/22/50/180312250.db2.gz CCOGNKNQSUZMNC-HWOWSKLDSA-N 2 1 284.444 2.021 10 0 CEAEMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092262859 180355214 /nfs/dbraw/zinc/35/52/14/180355214.db2.gz DPRCPFUJLQGTOJ-OCCSQVGLSA-N 2 1 262.422 2.374 10 0 CEAEMP c1ccc2c(c1)OC[C@@H]2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000092299780 180358704 /nfs/dbraw/zinc/35/87/04/180358704.db2.gz UGXTXCKWZFAFGA-KGLIPLIRSA-N 2 1 272.392 2.237 10 0 CEAEMP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092304623 180359949 /nfs/dbraw/zinc/35/99/49/180359949.db2.gz BFHCMNWAXHCQMA-GZBFAFLISA-N 2 1 272.392 2.092 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092326245 180363188 /nfs/dbraw/zinc/36/31/88/180363188.db2.gz PDMAKUCETIJENB-AWEZNQCLSA-N 2 1 264.417 2.001 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092326245 180363189 /nfs/dbraw/zinc/36/31/89/180363189.db2.gz PDMAKUCETIJENB-AWEZNQCLSA-N 2 1 264.417 2.001 10 0 CEAEMP C[NH2+]Cc1cc(-n2cc[nH+]c2C)c2ccccc2n1 ZINC000109589730 186264895 /nfs/dbraw/zinc/26/48/95/186264895.db2.gz WGQVUVFHEDUMOJ-UHFFFAOYSA-N 2 1 252.321 2.448 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000109604122 186268017 /nfs/dbraw/zinc/26/80/17/186268017.db2.gz ZBCMTCSYUHVJGJ-CQSZACIVSA-N 2 1 294.370 2.202 10 0 CEAEMP CCN(CC)[C@H]1CC[N@@H+](CC2(CC)CC[NH2+]CC2)C1 ZINC000110370751 186294939 /nfs/dbraw/zinc/29/49/39/186294939.db2.gz IQBKUDBXRCFHQY-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH+](CC)[C@H]1CCN(CC2(CC)CC[NH2+]CC2)C1 ZINC000110370751 186294940 /nfs/dbraw/zinc/29/49/40/186294940.db2.gz IQBKUDBXRCFHQY-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)CC1CCCC1 ZINC000110841218 186328082 /nfs/dbraw/zinc/32/80/82/186328082.db2.gz CKBUGZLLJWOTOH-HNNXBMFYSA-N 2 1 270.417 2.169 10 0 CEAEMP CC[N@H+](CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110942918 186334141 /nfs/dbraw/zinc/33/41/41/186334141.db2.gz ITVICULRHSYAEY-OAHLLOKOSA-N 2 1 275.396 2.089 10 0 CEAEMP CC[N@@H+](CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110942918 186334142 /nfs/dbraw/zinc/33/41/42/186334142.db2.gz ITVICULRHSYAEY-OAHLLOKOSA-N 2 1 275.396 2.089 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)C[C@@H]1C ZINC000110708679 186314270 /nfs/dbraw/zinc/31/42/70/186314270.db2.gz DQDPPDOYKZGXFK-HOCLYGCPSA-N 2 1 291.439 2.029 10 0 CEAEMP CC[N@H+]1CCN([C@@H](CC[NH3+])c2ccccc2)C[C@@H]1C ZINC000110705820 186314449 /nfs/dbraw/zinc/31/44/49/186314449.db2.gz PMUILJCNUMLNCI-HOCLYGCPSA-N 2 1 261.413 2.103 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705215 186315071 /nfs/dbraw/zinc/31/50/71/186315071.db2.gz ATTKKHCDIYAISO-DOMZBBRYSA-N 2 1 279.403 2.240 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CC[N@H+]1C ZINC000110710006 186316101 /nfs/dbraw/zinc/31/61/01/186316101.db2.gz KIUKDQOPDLWYQN-SJORKVTESA-N 2 1 275.440 2.329 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110716348 186316254 /nfs/dbraw/zinc/31/62/54/186316254.db2.gz BUHWIPOPIKZZAU-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CC[N@H+]1C ZINC000110710274 186316600 /nfs/dbraw/zinc/31/66/00/186316600.db2.gz KKBVZETZPRBUNP-UAGQMJEPSA-N 2 1 275.440 2.143 10 0 CEAEMP CC[N@H+]1CCN(Cc2cc([C@@H](C)[NH3+])ccc2OC)C[C@@H]1C ZINC000110714865 186316779 /nfs/dbraw/zinc/31/67/79/186316779.db2.gz KZDBXEHSOFFBMU-UONOGXRCSA-N 2 1 291.439 2.241 10 0 CEAEMP CCC[C@H](C)[NH2+]C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757978 186320005 /nfs/dbraw/zinc/32/00/05/186320005.db2.gz VEYBTLFNJSWPOB-KBPBESRZSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754750 186320326 /nfs/dbraw/zinc/32/03/26/186320326.db2.gz ZDQWKEQHGFBSMB-UHFFFAOYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C[NH3+])CCN1C ZINC000110751012 186320638 /nfs/dbraw/zinc/32/06/38/186320638.db2.gz ORMGLHCIZDKNQG-GFCCVEGCSA-N 2 1 289.448 2.496 10 0 CEAEMP C[C@@H]1CN(Cc2c3ccccc3sc2C[NH3+])CC[N@@H+]1C ZINC000110751012 186320639 /nfs/dbraw/zinc/32/06/39/186320639.db2.gz ORMGLHCIZDKNQG-GFCCVEGCSA-N 2 1 289.448 2.496 10 0 CEAEMP C[C@@H]1CN(Cc2c3ccccc3sc2C[NH3+])CC[N@H+]1C ZINC000110751012 186320641 /nfs/dbraw/zinc/32/06/41/186320641.db2.gz ORMGLHCIZDKNQG-GFCCVEGCSA-N 2 1 289.448 2.496 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCCCC[NH2+]CC(C)C)CCN1C ZINC000110753811 186321127 /nfs/dbraw/zinc/32/11/27/186321127.db2.gz BVDAWBBBQXMCNK-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[C@@H]1CN(CCCCC[NH2+]CC(C)C)CC[N@@H+]1C ZINC000110753811 186321129 /nfs/dbraw/zinc/32/11/29/186321129.db2.gz BVDAWBBBQXMCNK-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[C@@H]1CN(CCCCC[NH2+]CC(C)C)CC[N@H+]1C ZINC000110753811 186321131 /nfs/dbraw/zinc/32/11/31/186321131.db2.gz BVDAWBBBQXMCNK-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP C[N@@H+](CC1CCOCC1)[C@H](CC[NH3+])c1ccccc1 ZINC000111157530 186363190 /nfs/dbraw/zinc/36/31/90/186363190.db2.gz QIAZRVIZUZELEF-MRXNPFEDSA-N 2 1 262.397 2.435 10 0 CEAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174872 186365269 /nfs/dbraw/zinc/36/52/69/186365269.db2.gz QLEVJTIAPBYWFE-AWEZNQCLSA-N 2 1 262.397 2.264 10 0 CEAEMP C[NH2+][C@@H](CC[N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111172680 186365455 /nfs/dbraw/zinc/36/54/55/186365455.db2.gz WSJVNFBNORLTAP-AWEZNQCLSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111175087 186365911 /nfs/dbraw/zinc/36/59/11/186365911.db2.gz ZLOWDTHXLCDEMW-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000111320786 186396761 /nfs/dbraw/zinc/39/67/61/186396761.db2.gz ZJXABNOBGHFFDR-CVEARBPZSA-N 2 1 262.397 2.181 10 0 CEAEMP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000111320786 186396763 /nfs/dbraw/zinc/39/67/63/186396763.db2.gz ZJXABNOBGHFFDR-CVEARBPZSA-N 2 1 262.397 2.181 10 0 CEAEMP [NH3+]C[C@@]1(C[N@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329302 186399314 /nfs/dbraw/zinc/39/93/14/186399314.db2.gz AGYWEGRXHYPYTQ-QGZVFWFLSA-N 2 1 274.408 2.190 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111329800 186399569 /nfs/dbraw/zinc/39/95/69/186399569.db2.gz RGYBHAQDVCXBMX-INIZCTEOSA-N 2 1 286.460 2.140 10 0 CEAEMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630366353 351714786 /nfs/dbraw/zinc/71/47/86/351714786.db2.gz KDYQCZLXKWLDSW-NQBHXWOUSA-N 2 1 264.360 2.106 10 0 CEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630366353 351714788 /nfs/dbraw/zinc/71/47/88/351714788.db2.gz KDYQCZLXKWLDSW-NQBHXWOUSA-N 2 1 264.360 2.106 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000092634181 539827497 /nfs/dbraw/zinc/82/74/97/539827497.db2.gz RYOPFKOBUZDLIO-HNNXBMFYSA-N 2 1 290.411 2.093 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094440784 539879458 /nfs/dbraw/zinc/87/94/58/539879458.db2.gz VUXXLYGTRUPVBC-NVXWUHKLSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000094440784 539879461 /nfs/dbraw/zinc/87/94/61/539879461.db2.gz VUXXLYGTRUPVBC-NVXWUHKLSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000094440784 539879465 /nfs/dbraw/zinc/87/94/65/539879465.db2.gz VUXXLYGTRUPVBC-NVXWUHKLSA-N 2 1 279.472 2.325 10 0 CEAEMP c1csc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178967651 189157865 /nfs/dbraw/zinc/15/78/65/189157865.db2.gz LHFAGMYXWHAGQO-CYBMUJFWSA-N 2 1 266.410 2.121 10 0 CEAEMP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]cc1Cl ZINC000301696510 201145203 /nfs/dbraw/zinc/14/52/03/201145203.db2.gz BHJRCOABSICYDO-STQMWFEESA-N 2 1 295.814 2.161 10 0 CEAEMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]cc1Cl ZINC000301696510 201145207 /nfs/dbraw/zinc/14/52/07/201145207.db2.gz BHJRCOABSICYDO-STQMWFEESA-N 2 1 295.814 2.161 10 0 CEAEMP Cc1ncsc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275536269 193069851 /nfs/dbraw/zinc/06/98/51/193069851.db2.gz MINKCUGFTTUBBK-LLVKDONJSA-N 2 1 262.382 2.000 10 0 CEAEMP COC[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648761 369388280 /nfs/dbraw/zinc/38/82/80/369388280.db2.gz BSCBMAFMAABVDO-NVXWUHKLSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648761 369388283 /nfs/dbraw/zinc/38/82/83/369388283.db2.gz BSCBMAFMAABVDO-NVXWUHKLSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000188648761 369388286 /nfs/dbraw/zinc/38/82/86/369388286.db2.gz BSCBMAFMAABVDO-NVXWUHKLSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000188648761 369388287 /nfs/dbraw/zinc/38/82/87/369388287.db2.gz BSCBMAFMAABVDO-NVXWUHKLSA-N 2 1 291.439 2.118 10 0 CEAEMP CC(C)C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190478108 369628004 /nfs/dbraw/zinc/62/80/04/369628004.db2.gz NAIOTRMRDAVQKF-MRXNPFEDSA-N 2 1 261.413 2.491 10 0 CEAEMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000231455779 370478722 /nfs/dbraw/zinc/47/87/22/370478722.db2.gz FPBGSPNQMDLFDB-AWEZNQCLSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1ccccc1OCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670712 370487430 /nfs/dbraw/zinc/48/74/30/370487430.db2.gz KDQUHZCKHNQIPI-AWEZNQCLSA-N 2 1 278.396 2.148 10 0 CEAEMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261790677 371733548 /nfs/dbraw/zinc/73/35/48/371733548.db2.gz XRYKCXUINUDMQV-RRQGHBQHSA-N 2 1 290.407 2.133 10 0 CEAEMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261842674 371748245 /nfs/dbraw/zinc/74/82/45/371748245.db2.gz SCZNAPFHKALRDE-ZBFHGGJFSA-N 2 1 282.428 2.184 10 0 CEAEMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261842674 371748255 /nfs/dbraw/zinc/74/82/55/371748255.db2.gz SCZNAPFHKALRDE-ZBFHGGJFSA-N 2 1 282.428 2.184 10 0 CEAEMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1F ZINC000261992590 371792554 /nfs/dbraw/zinc/79/25/54/371792554.db2.gz SXXGTOFARKUFDO-UAGQMJEPSA-N 2 1 292.398 2.381 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261927629 371772619 /nfs/dbraw/zinc/77/26/19/371772619.db2.gz LDPWMPKMQJUANO-BHYGNILZSA-N 2 1 296.418 2.350 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261927629 371772630 /nfs/dbraw/zinc/77/26/30/371772630.db2.gz LDPWMPKMQJUANO-BHYGNILZSA-N 2 1 296.418 2.350 10 0 CEAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262044570 371810787 /nfs/dbraw/zinc/81/07/87/371810787.db2.gz PNWHHDZNPQQOIH-RHSMWYFYSA-N 2 1 274.408 2.484 10 0 CEAEMP CC[C@@H](C)N(Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262116172 371824852 /nfs/dbraw/zinc/82/48/52/371824852.db2.gz BKJHJVGLBCYEQD-GFCCVEGCSA-N 2 1 274.368 2.329 10 0 CEAEMP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399153029 375359146 /nfs/dbraw/zinc/35/91/46/375359146.db2.gz CAGPUFSYQCOOAR-KBPBESRZSA-N 2 1 254.418 2.002 10 0 CEAEMP c1ccc(C[NH2+]C[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000255994445 190000781 /nfs/dbraw/zinc/00/07/81/190000781.db2.gz PIZJBJGCANMPDH-ZBFHGGJFSA-N 2 1 259.397 2.436 10 0 CEAEMP CC(C)[NH2+]Cc1ccc(N(C)C[C@H]2CCC[N@H+]2C)nc1 ZINC000092672781 184620152 /nfs/dbraw/zinc/62/01/52/184620152.db2.gz QWGAMGXXGUVXKG-OAHLLOKOSA-N 2 1 276.428 2.110 10 0 CEAEMP CCC[NH2+]CC[C@@H](C)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092675978 184620390 /nfs/dbraw/zinc/62/03/90/184620390.db2.gz FVVLYTHDDUAKOW-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CC[N@@H+](CC(C)C)C1CC1 ZINC000093590785 184694260 /nfs/dbraw/zinc/69/42/60/184694260.db2.gz SKOYMVFWKNFTCD-PBHICJAKSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000092957681 135077686 /nfs/dbraw/zinc/07/76/86/135077686.db2.gz OGJWXEYKYOTKHH-UONOGXRCSA-N 2 1 293.842 2.460 10 0 CEAEMP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093068387 135079027 /nfs/dbraw/zinc/07/90/27/135079027.db2.gz PXRSSNRSZKEQBV-UONOGXRCSA-N 2 1 279.403 2.192 10 0 CEAEMP NC(=[NH2+])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000094439614 135087643 /nfs/dbraw/zinc/08/76/43/135087643.db2.gz KYHAJAPIGMDOJA-GFCCVEGCSA-N 2 1 292.814 2.299 10 0 CEAEMP NC(=[NH2+])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000094439614 135087645 /nfs/dbraw/zinc/08/76/45/135087645.db2.gz KYHAJAPIGMDOJA-GFCCVEGCSA-N 2 1 292.814 2.299 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(F)cc1CC[NH3+] ZINC000094444586 135088639 /nfs/dbraw/zinc/08/86/39/135088639.db2.gz TZFLJIUDMAFZIJ-XJKSGUPXSA-N 2 1 291.414 2.390 10 0 CEAEMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCS1 ZINC000261998560 394611722 /nfs/dbraw/zinc/61/17/22/394611722.db2.gz UIHRVWWVRBFZCH-APIJFGDWSA-N 2 1 284.469 2.019 10 0 CEAEMP C[C@]1(C[NH+]2CCC(c3nccs3)CC2)CC[NH2+]C1 ZINC000262106162 394613357 /nfs/dbraw/zinc/61/33/57/394613357.db2.gz VYTVYQQMYXCKOI-AWEZNQCLSA-N 2 1 265.426 2.322 10 0 CEAEMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400489611 286322531 /nfs/dbraw/zinc/32/25/31/286322531.db2.gz YTJLXDAORYWNIO-WOPDTQHZSA-N 2 1 266.360 2.483 10 0 CEAEMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000170968075 162376421 /nfs/dbraw/zinc/37/64/21/162376421.db2.gz ZXQMTYJEZFHOLQ-MRXNPFEDSA-N 2 1 295.471 2.195 10 0 CEAEMP C[N@@H+]1CCC[C@@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000040715775 174382626 /nfs/dbraw/zinc/38/26/26/174382626.db2.gz DEGPAPMAOCBLBA-LLVKDONJSA-N 2 1 256.353 2.323 10 0 CEAEMP C[N@H+]1CCC[C@@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000040715775 174382627 /nfs/dbraw/zinc/38/26/27/174382627.db2.gz DEGPAPMAOCBLBA-LLVKDONJSA-N 2 1 256.353 2.323 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1F ZINC000040749930 174394930 /nfs/dbraw/zinc/39/49/30/174394930.db2.gz BRTKFTOPJDQBEO-YHWZYXNKSA-N 2 1 291.370 2.108 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(F)cc1 ZINC000040750138 174395033 /nfs/dbraw/zinc/39/50/33/174395033.db2.gz SSWYDRKZJQQKFR-AGUYFDCRSA-N 2 1 264.344 2.159 10 0 CEAEMP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000657351745 414876182 /nfs/dbraw/zinc/87/61/82/414876182.db2.gz OYKPNDUUUDGPPE-CQSZACIVSA-N 2 1 268.445 2.392 10 0 CEAEMP C[C@@H]1CCCC[C@]1(C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042392253 174706902 /nfs/dbraw/zinc/70/69/02/174706902.db2.gz CMWUZBNBPOUVNJ-GDBMZVCRSA-N 2 1 267.461 2.168 10 0 CEAEMP FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326960 175008991 /nfs/dbraw/zinc/00/89/91/175008991.db2.gz PDPFFFYNZBEROV-IJLUTSLNSA-N 2 1 280.334 2.218 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810136 175109357 /nfs/dbraw/zinc/10/93/57/175109357.db2.gz VPEGWCBXVVDMCA-RRFJBIMHSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+]1CCCC[C@@H]1C)OCCO2 ZINC000043810136 175109359 /nfs/dbraw/zinc/10/93/59/175109359.db2.gz VPEGWCBXVVDMCA-RRFJBIMHSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@H]1CCCCCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818349 175113459 /nfs/dbraw/zinc/11/34/59/175113459.db2.gz HZUPZQCOKAWVJQ-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818570 175113774 /nfs/dbraw/zinc/11/37/74/175113774.db2.gz APBRFWDMSNIVBF-MSOLQXFVSA-N 2 1 287.451 2.290 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966880 175127996 /nfs/dbraw/zinc/12/79/96/175127996.db2.gz UXDLSLZEOABBGR-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966880 175127997 /nfs/dbraw/zinc/12/79/97/175127997.db2.gz UXDLSLZEOABBGR-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970962 175131862 /nfs/dbraw/zinc/13/18/62/175131862.db2.gz PHVISCQNQQALPJ-XHSDSOJGSA-N 2 1 286.460 2.138 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970962 175131863 /nfs/dbraw/zinc/13/18/63/175131863.db2.gz PHVISCQNQQALPJ-XHSDSOJGSA-N 2 1 286.460 2.138 10 0 CEAEMP Cc1c(C)n(C[C@@H]2CC[N@@H+](C(C)C)C2)c2nc[nH+]c(N)c12 ZINC000045136390 175313951 /nfs/dbraw/zinc/31/39/51/175313951.db2.gz RAMWBOIEBUNNRZ-CYBMUJFWSA-N 2 1 287.411 2.361 10 0 CEAEMP Cc1c(C)n(C[C@@H]2CC[N@H+](C(C)C)C2)c2nc[nH+]c(N)c12 ZINC000045136390 175313952 /nfs/dbraw/zinc/31/39/52/175313952.db2.gz RAMWBOIEBUNNRZ-CYBMUJFWSA-N 2 1 287.411 2.361 10 0 CEAEMP CC[N@@H+](CC[C@](C)(NC(C)C)C(N)=O)C1CCCCC1 ZINC000045224168 175332262 /nfs/dbraw/zinc/33/22/62/175332262.db2.gz PIPXPTCSAXEUQU-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[N@H+](CC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045224168 175332263 /nfs/dbraw/zinc/33/22/63/175332263.db2.gz PIPXPTCSAXEUQU-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[N@@H+](CC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCCC1 ZINC000045224168 175332264 /nfs/dbraw/zinc/33/22/64/175332264.db2.gz PIPXPTCSAXEUQU-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCC1)C(N)=O ZINC000045384737 175371855 /nfs/dbraw/zinc/37/18/55/175371855.db2.gz HPBNAQRRKAGHSM-INIZCTEOSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385833 175372181 /nfs/dbraw/zinc/37/21/81/175372181.db2.gz ASHFZSDLPCRPOV-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)C(C)C ZINC000045385833 175372183 /nfs/dbraw/zinc/37/21/83/175372183.db2.gz ASHFZSDLPCRPOV-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386565 175373283 /nfs/dbraw/zinc/37/32/83/175373283.db2.gz OVHSUOQWVJPEDJ-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OC ZINC000045386565 175373285 /nfs/dbraw/zinc/37/32/85/175373285.db2.gz OVHSUOQWVJPEDJ-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045388178 175373719 /nfs/dbraw/zinc/37/37/19/175373719.db2.gz VSCMOPHIKIWMIG-OAHLLOKOSA-N 2 1 271.449 2.132 10 0 CEAEMP CCC(CC)[N@@H+](C)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045391393 175374691 /nfs/dbraw/zinc/37/46/91/175374691.db2.gz JUKYKZIZYNABPI-CQSZACIVSA-N 2 1 258.406 2.168 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045392996 175375926 /nfs/dbraw/zinc/37/59/26/175375926.db2.gz UBPMBXLSXPCBDP-SWLSCSKDSA-N 2 1 270.417 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C ZINC000045392996 175375927 /nfs/dbraw/zinc/37/59/27/175375927.db2.gz UBPMBXLSXPCBDP-SWLSCSKDSA-N 2 1 270.417 2.038 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CC1CC1)C(=O)OC ZINC000045419968 175378088 /nfs/dbraw/zinc/37/80/88/175378088.db2.gz UZOMDPBZGLQVLD-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CC1CC1)C(=O)OC ZINC000045419968 175378089 /nfs/dbraw/zinc/37/80/89/175378089.db2.gz UZOMDPBZGLQVLD-OAHLLOKOSA-N 2 1 270.417 2.040 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000045421013 175379920 /nfs/dbraw/zinc/37/99/20/175379920.db2.gz FZQDMYBAVFVDKZ-FZMZJTMJSA-N 2 1 258.406 2.023 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCCC[C@@H]2C)O1 ZINC000070413120 175915405 /nfs/dbraw/zinc/91/54/05/175915405.db2.gz OTSBBFCOUVFFFJ-SOUVJXGZSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000071142363 176039904 /nfs/dbraw/zinc/03/99/04/176039904.db2.gz YFTCOZCMVLWMCU-QWHCGFSZSA-N 2 1 278.396 2.306 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000071142363 176039905 /nfs/dbraw/zinc/03/99/05/176039905.db2.gz YFTCOZCMVLWMCU-QWHCGFSZSA-N 2 1 278.396 2.306 10 0 CEAEMP C[C@@H]1CCC[C@@H]([N@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147423 176043183 /nfs/dbraw/zinc/04/31/83/176043183.db2.gz MALFUXHMXQYHQQ-HZPDHXFCSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[C@H]1CCCC[C@]1(CN)[N@@H+](CCCOC)CCOC ZINC000071161922 176046379 /nfs/dbraw/zinc/04/63/79/176046379.db2.gz KNSRLTBGGHZJBT-JKSUJKDBSA-N 2 1 286.460 2.269 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1c(C[NH3+])cnc2ccccc21 ZINC000071187565 176060650 /nfs/dbraw/zinc/06/06/50/176060650.db2.gz HQIRLIAFEOCGSW-CYBMUJFWSA-N 3 1 284.407 2.081 10 0 CEAEMP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187856 176062143 /nfs/dbraw/zinc/06/21/43/176062143.db2.gz LAOXRNIQUHAMMB-XOKHGSTOSA-N 2 1 293.430 2.488 10 0 CEAEMP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000071188856 176063299 /nfs/dbraw/zinc/06/32/99/176063299.db2.gz OFNFCGNIVLKMDC-SJLPKXTDSA-N 2 1 289.467 2.447 10 0 CEAEMP CC[C@H](C)C[C@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188597 176063371 /nfs/dbraw/zinc/06/33/71/176063371.db2.gz MGXOSEADHSRVPY-ARFHVFGLSA-N 2 1 269.477 2.414 10 0 CEAEMP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188582 176063929 /nfs/dbraw/zinc/06/39/29/176063929.db2.gz WNXOOXYZJWDQHR-INMHGKMJSA-N 2 1 281.488 2.414 10 0 CEAEMP C[NH2+][C@H]1CCCCCC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189003 176064214 /nfs/dbraw/zinc/06/42/14/176064214.db2.gz JZKBBHAOMRZYLG-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@H](CC)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189033 176064351 /nfs/dbraw/zinc/06/43/51/176064351.db2.gz XJVYHMZVWPYBHQ-RBSFLKMASA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189005 176064392 /nfs/dbraw/zinc/06/43/92/176064392.db2.gz SHDZSXLJPIVJBK-XUWVNRHRSA-N 2 1 267.461 2.037 10 0 CEAEMP C[NH2+]C[C@@](C)(CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191461 176069273 /nfs/dbraw/zinc/06/92/73/176069273.db2.gz XZDMPOQPDXJKGX-AEFFLSMTSA-N 2 1 289.467 2.047 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191382 176070469 /nfs/dbraw/zinc/07/04/69/176070469.db2.gz YSZJRHVRDJCJBL-IXDOHACOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH2+]CC(CC)(CC)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191521 176070761 /nfs/dbraw/zinc/07/07/61/176070761.db2.gz ISUNJKUNQHSVJA-HNNXBMFYSA-N 2 1 269.477 2.286 10 0 CEAEMP CC(C)[NH2+]Cc1coc(CN(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191829 176071157 /nfs/dbraw/zinc/07/11/57/176071157.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 2 1 279.428 2.161 10 0 CEAEMP CCC[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191956 176072593 /nfs/dbraw/zinc/07/25/93/176072593.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 2 1 279.428 2.163 10 0 CEAEMP CC(C)C[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192088 176073994 /nfs/dbraw/zinc/07/39/94/176073994.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 2 1 293.455 2.409 10 0 CEAEMP CC[NH2+]CCCCCCN1CC[NH+](C(C)C)CC1 ZINC000071288096 176110427 /nfs/dbraw/zinc/11/04/27/176110427.db2.gz UFBYYVGBOCNUBU-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342146 176130447 /nfs/dbraw/zinc/13/04/47/176130447.db2.gz UZRHJYYZTAADGV-SJORKVTESA-N 2 1 290.455 2.290 10 0 CEAEMP C[C@H](NCC[N@@H+](C)C1CCCC1)[C@@H]1CCC[NH+](C)C1 ZINC000071376853 176142244 /nfs/dbraw/zinc/14/22/44/176142244.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@H](NCC[NH+](C)C1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000071376853 176142245 /nfs/dbraw/zinc/14/22/45/176142245.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@H](NCC[NH+](C)C1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000071376853 176142246 /nfs/dbraw/zinc/14/22/46/176142246.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+](CC)CCn1c2ccccc2nc1C[NH+](C)C ZINC000071502872 176192836 /nfs/dbraw/zinc/19/28/36/176192836.db2.gz JDTLVNOWVIGBGC-UHFFFAOYSA-N 2 1 274.412 2.440 10 0 CEAEMP C[N@H+](CC[NH3+])CCCc1ccc(Br)cc1 ZINC000076409618 177019867 /nfs/dbraw/zinc/01/98/67/177019867.db2.gz RLJGPSAFSPKURN-UHFFFAOYSA-N 2 1 271.202 2.272 10 0 CEAEMP C[N@@H+](CC[NH3+])CCCc1ccc(Br)cc1 ZINC000076409618 177019868 /nfs/dbraw/zinc/01/98/68/177019868.db2.gz RLJGPSAFSPKURN-UHFFFAOYSA-N 2 1 271.202 2.272 10 0 CEAEMP C[C@H](C[NH3+])CN1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC000078626748 177362070 /nfs/dbraw/zinc/36/20/70/177362070.db2.gz DISHNCSTYNJPTM-CVEARBPZSA-N 2 1 275.440 2.350 10 0 CEAEMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519219 260104327 /nfs/dbraw/zinc/10/43/27/260104327.db2.gz XMGASPKTPBLSAF-MGPQQGTHSA-N 2 1 299.459 2.362 10 0 CEAEMP CC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000120484541 280094385 /nfs/dbraw/zinc/09/43/85/280094385.db2.gz LBBPPFBSUQMDCR-ZIAGYGMSSA-N 2 1 256.434 2.057 10 0 CEAEMP CC(C)[N@@H+](CCCOc1ccccc1)CCC(N)=[NH2+] ZINC000061815885 519645085 /nfs/dbraw/zinc/64/50/85/519645085.db2.gz ANMBMRGEXXONDP-UHFFFAOYSA-N 2 1 263.385 2.492 10 0 CEAEMP CC(C)[N@@H+](Cc1cccs1)CC1(O)CC[NH2+]CC1 ZINC000051016309 519661816 /nfs/dbraw/zinc/66/18/16/519661816.db2.gz NTGPYTKSCZLCHU-UHFFFAOYSA-N 2 1 268.426 2.073 10 0 CEAEMP CC[NH2+]Cc1coc(C[N@@H+](CC)[C@@H](C)COC)c1 ZINC000052504905 520017796 /nfs/dbraw/zinc/01/77/96/520017796.db2.gz CGQMMFHJZLBLEO-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647803 520045289 /nfs/dbraw/zinc/04/52/89/520045289.db2.gz IJHPVTPRJFDTSO-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647803 520045296 /nfs/dbraw/zinc/04/52/96/520045296.db2.gz IJHPVTPRJFDTSO-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCCO[C@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]C2CC2)C1 ZINC000052371522 520284958 /nfs/dbraw/zinc/28/49/58/520284958.db2.gz XTBIWEMGAIITIN-ZFWWWQNUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[N@@H+](CCOc1cccc(C[NH2+]C)c1)[C@@H](C)COC ZINC000052504859 521149818 /nfs/dbraw/zinc/14/98/18/521149818.db2.gz QVAPUTKXMVLTOG-AWEZNQCLSA-N 2 1 280.412 2.142 10 0 CEAEMP CC(C)(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]1CCCO ZINC000052763382 519265302 /nfs/dbraw/zinc/26/53/02/519265302.db2.gz IGCBOXUHYHMDPI-AWEZNQCLSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccco2)O1 ZINC000052456877 519723557 /nfs/dbraw/zinc/72/35/57/519723557.db2.gz LGHMTYUDOLJAJZ-ZFWWWQNUSA-N 2 1 266.385 2.257 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@@H+](C)C2)s1 ZINC000054905589 519748546 /nfs/dbraw/zinc/74/85/46/519748546.db2.gz BWGAGBYEGYBZTN-ZDUSSCGKSA-N 2 1 296.484 2.419 10 0 CEAEMP CC(C)[C@H](C[NH+](C)C)NCC[C@H]1CCCC[N@H+]1C ZINC000052205969 519814345 /nfs/dbraw/zinc/81/43/45/519814345.db2.gz RIQSVBVMTPUGLX-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205969 519814346 /nfs/dbraw/zinc/81/43/46/519814346.db2.gz RIQSVBVMTPUGLX-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052205969 519814347 /nfs/dbraw/zinc/81/43/47/519814347.db2.gz RIQSVBVMTPUGLX-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183149 519911177 /nfs/dbraw/zinc/91/11/77/519911177.db2.gz PVSJVYCTNBXGJS-OAHLLOKOSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2C[C@@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183149 519911180 /nfs/dbraw/zinc/91/11/80/519911180.db2.gz PVSJVYCTNBXGJS-OAHLLOKOSA-N 2 1 298.471 2.282 10 0 CEAEMP CC[NH2+]CCCCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055074419 519919317 /nfs/dbraw/zinc/91/93/17/519919317.db2.gz FUWKIKMMLDEVIQ-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)COC)o1 ZINC000052511501 519947369 /nfs/dbraw/zinc/94/73/69/519947369.db2.gz LLUKOGFNQDSEJX-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[NH2+]Cc1coc(C[N@@H+](CCCOC)CCOC)c1 ZINC000052543271 519965168 /nfs/dbraw/zinc/96/51/68/519965168.db2.gz USTFKHVGULLWQO-UHFFFAOYSA-N 2 1 298.427 2.264 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CCOC)C(CC)CC)O1 ZINC000052573392 519977141 /nfs/dbraw/zinc/97/71/41/519977141.db2.gz LRXLVFMLCNDZGI-CVEARBPZSA-N 2 1 286.460 2.281 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061654571 519995245 /nfs/dbraw/zinc/99/52/45/519995245.db2.gz JMDJEKLYTOCZTI-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccc(CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061654571 519995253 /nfs/dbraw/zinc/99/52/53/519995253.db2.gz JMDJEKLYTOCZTI-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543433 520014275 /nfs/dbraw/zinc/01/42/75/520014275.db2.gz DQXFSUQDFOOAKQ-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543433 520014284 /nfs/dbraw/zinc/01/42/84/520014284.db2.gz DQXFSUQDFOOAKQ-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068647977 520041379 /nfs/dbraw/zinc/04/13/79/520041379.db2.gz JBDIKEAHAATLBT-DYVFJYSZSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632680 520235663 /nfs/dbraw/zinc/23/56/63/520235663.db2.gz BPFTUQYQVIQJTC-FRFSOERESA-N 2 1 295.471 2.273 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632680 520235668 /nfs/dbraw/zinc/23/56/68/520235668.db2.gz BPFTUQYQVIQJTC-FRFSOERESA-N 2 1 295.471 2.273 10 0 CEAEMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401703 521112661 /nfs/dbraw/zinc/11/26/61/521112661.db2.gz HNHSDAUXKXXDEH-CYBMUJFWSA-N 2 1 294.370 2.060 10 0 CEAEMP CCC[C@H]1CN(CCn2cc[nH+]c2C)[C@H](C2CC2)C[NH2+]1 ZINC000068701058 521220486 /nfs/dbraw/zinc/22/04/86/521220486.db2.gz WAMQTHIJICYECN-HOTGVXAUSA-N 2 1 276.428 2.044 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C)oc1C)[C@@H](C)COC ZINC000052505049 521289315 /nfs/dbraw/zinc/28/93/15/521289315.db2.gz WXNIIOYZVNIAJK-NSHDSACASA-N 2 1 254.374 2.164 10 0 CEAEMP CCCc1[nH+]c2cc(N)ccc2n1[C@@H]1CC[N@H+](C)C1 ZINC000052854682 521541145 /nfs/dbraw/zinc/54/11/45/521541145.db2.gz CUIXGXPFMJECHK-GFCCVEGCSA-N 2 1 258.369 2.448 10 0 CEAEMP CCCc1[nH+]c2cc(N)ccc2n1[C@@H]1CC[N@@H+](C)C1 ZINC000052854682 521541151 /nfs/dbraw/zinc/54/11/51/521541151.db2.gz CUIXGXPFMJECHK-GFCCVEGCSA-N 2 1 258.369 2.448 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)CC2CCCCC2)O1 ZINC000052346818 522094159 /nfs/dbraw/zinc/09/41/59/522094159.db2.gz KOLHIUHAQCKLEN-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](C)Cc2ccccn2)c1 ZINC000052478778 522127284 /nfs/dbraw/zinc/12/72/84/522127284.db2.gz NNSWPXHLWJFEIG-UHFFFAOYSA-N 2 1 255.365 2.433 10 0 CEAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(c2ncccc2C)CC1 ZINC000051040747 522129029 /nfs/dbraw/zinc/12/90/29/522129029.db2.gz JNDGMIUZLVWANR-OAHLLOKOSA-N 2 1 276.428 2.030 10 0 CEAEMP C[NH2+]Cc1cccc(OCCn2c[nH+]c(C)c2C)c1 ZINC000052593545 522134640 /nfs/dbraw/zinc/13/46/40/522134640.db2.gz YXJHDJROWKHXEV-UHFFFAOYSA-N 2 1 259.353 2.298 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052511446 522218531 /nfs/dbraw/zinc/21/85/31/522218531.db2.gz KSOFFHIVSMHWMS-GFCCVEGCSA-N 2 1 254.374 2.244 10 0 CEAEMP CC[C@@H](CC[NH3+])N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000048732579 522496629 /nfs/dbraw/zinc/49/66/29/522496629.db2.gz BXJAVKHWGXDMEV-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP COC[C@H](C)[N@@H+](C)CCOc1ccccc1C[NH2+]C1CC1 ZINC000052511631 522592438 /nfs/dbraw/zinc/59/24/38/522592438.db2.gz GQQWBHIADJZSOZ-AWEZNQCLSA-N 2 1 292.423 2.284 10 0 CEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642539 523206748 /nfs/dbraw/zinc/20/67/48/523206748.db2.gz USWSIGFDDOHJFA-ZJIFWQFVSA-N 2 1 267.461 2.166 10 0 CEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061642539 523206754 /nfs/dbraw/zinc/20/67/54/523206754.db2.gz USWSIGFDDOHJFA-ZJIFWQFVSA-N 2 1 267.461 2.166 10 0 CEAEMP COCCC[N@H+](CCOC)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052543174 523259053 /nfs/dbraw/zinc/25/90/53/523259053.db2.gz JXYXOIUNNLAMFA-OAHLLOKOSA-N 2 1 288.476 2.384 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052543174 523259060 /nfs/dbraw/zinc/25/90/60/523259060.db2.gz JXYXOIUNNLAMFA-OAHLLOKOSA-N 2 1 288.476 2.384 10 0 CEAEMP CN(c1nc2c(s1)[C@H]([NH3+])CCC2)[C@@H]1CCC[N@@H+](C)C1 ZINC000054896333 523667236 /nfs/dbraw/zinc/66/72/36/523667236.db2.gz OGUHKYGIFHXAQV-GHMZBOCLSA-N 2 1 280.441 2.010 10 0 CEAEMP COCC[N@@H+](CCCCC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572415 523694580 /nfs/dbraw/zinc/69/45/80/523694580.db2.gz CNNWTBSCHLVKAI-HNNXBMFYSA-N 2 1 274.449 2.138 10 0 CEAEMP C[N@H+]1CCCN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052424198 523809949 /nfs/dbraw/zinc/80/99/49/523809949.db2.gz MXIKYCVTASTVIG-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP C[C@H]1C[N@@H+](CCC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000050954128 524595184 /nfs/dbraw/zinc/59/51/84/524595184.db2.gz WEOWSVAHMZCDOF-KBPBESRZSA-N 2 1 254.418 2.408 10 0 CEAEMP C[C@@H](C[NH+]1CCCCC1)NCC[C@@H]1CCCC[N@H+]1C ZINC000052205999 524605022 /nfs/dbraw/zinc/60/50/22/524605022.db2.gz QBWFBTIETZPQRR-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP COc1ccc(OCC[N@@H+]2CCC[NH2+]C(C)(C)C2)cc1 ZINC000062670844 524953439 /nfs/dbraw/zinc/95/34/39/524953439.db2.gz VVAQONNRTXKUQX-UHFFFAOYSA-N 2 1 278.396 2.148 10 0 CEAEMP COc1ccc(OCC[N@H+]2CCC[NH2+]C(C)(C)C2)cc1 ZINC000062670844 524953445 /nfs/dbraw/zinc/95/34/45/524953445.db2.gz VVAQONNRTXKUQX-UHFFFAOYSA-N 2 1 278.396 2.148 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052378863 526249967 /nfs/dbraw/zinc/24/99/67/526249967.db2.gz ANWFPBVTIWYHBM-ZDUSSCGKSA-N 2 1 279.432 2.041 10 0 CEAEMP c1cc(C[NH2+]C2CC2)cc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000052371289 526427345 /nfs/dbraw/zinc/42/73/45/526427345.db2.gz PJMQNZUQJSRXKO-UHFFFAOYSA-N 2 1 285.435 2.219 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543527 526771455 /nfs/dbraw/zinc/77/14/55/526771455.db2.gz LSGDGPHNNRJBLV-JTQLQIEISA-N 2 1 252.358 2.046 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543527 526771462 /nfs/dbraw/zinc/77/14/62/526771462.db2.gz LSGDGPHNNRJBLV-JTQLQIEISA-N 2 1 252.358 2.046 10 0 CEAEMP Cc1[nH+]cn(Cc2cc(C[NH2+]C(C)(C)C)no2)c1C ZINC000052593531 527462824 /nfs/dbraw/zinc/46/28/24/527462824.db2.gz VREXLFIBARQGBA-UHFFFAOYSA-N 2 1 262.357 2.424 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+][C@H](C1CC1)CCO2 ZINC000757140879 574510215 /nfs/dbraw/zinc/51/02/15/574510215.db2.gz JONSFGKNZLOPLD-LBPRGKRZSA-N 2 1 252.402 2.412 10 0 CEAEMP CCCC[C@@H]([NH3+])c1nc(N2CC[NH+](CC(C)C)CC2)no1 ZINC000757123895 574825801 /nfs/dbraw/zinc/82/58/01/574825801.db2.gz LAADPBUOAAVZSX-CYBMUJFWSA-N 2 1 295.431 2.038 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000261606182 623394450 /nfs/dbraw/zinc/39/44/50/623394450.db2.gz RMCHZKLPJIECOG-BYCMXARLSA-N 2 1 280.799 2.388 10 0 CEAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCCCCC1 ZINC000398947953 628766059 /nfs/dbraw/zinc/76/60/59/628766059.db2.gz ANBKUSADECUOGI-AWEZNQCLSA-N 2 1 268.445 2.392 10 0 CEAEMP C[NH+](C)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253290963 282085411 /nfs/dbraw/zinc/08/54/11/282085411.db2.gz QFGHRDQWBRVIGB-BZUAXINKSA-N 2 1 268.445 2.344 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868471 343813631 /nfs/dbraw/zinc/81/36/31/343813631.db2.gz VKBLCBBEAZYBTR-INIZCTEOSA-N 2 1 276.424 2.211 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868471 343813632 /nfs/dbraw/zinc/81/36/32/343813632.db2.gz VKBLCBBEAZYBTR-INIZCTEOSA-N 2 1 276.424 2.211 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868471 343813633 /nfs/dbraw/zinc/81/36/33/343813633.db2.gz VKBLCBBEAZYBTR-INIZCTEOSA-N 2 1 276.424 2.211 10 0 CEAEMP CCC[N@@H+](CCCC[NH3+])[C@H]1COc2cccc(OC)c2C1 ZINC000095831759 344237471 /nfs/dbraw/zinc/23/74/71/344237471.db2.gz ASKCPGCSHZDHDQ-CQSZACIVSA-N 2 1 292.423 2.450 10 0 CEAEMP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)c1 ZINC000399094465 344857249 /nfs/dbraw/zinc/85/72/49/344857249.db2.gz VCFFHVYMEFUTBJ-OAHLLOKOSA-N 2 1 276.424 2.411 10 0 CEAEMP CC(C)COc1cccc(C[N@H+]2CC[C@H](C(=[NH2+])NO)C2)c1 ZINC000584633983 344970374 /nfs/dbraw/zinc/97/03/74/344970374.db2.gz UZUGGTNBMYWFPV-AWEZNQCLSA-N 2 1 291.395 2.499 10 0 CEAEMP CCC[NH2+][C@@](C)(CO)CCn1cc[nH+]c1C(C)C ZINC000085263122 178993282 /nfs/dbraw/zinc/99/32/82/178993282.db2.gz DACJTWFHJCWXGF-CQSZACIVSA-N 2 1 253.390 2.147 10 0 CEAEMP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000085623749 179106932 /nfs/dbraw/zinc/10/69/32/179106932.db2.gz ULGMVSAUZLESPU-KBMXLJTQSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC1(CC)C[N@@H+](CCn2cccn2)[C@H](C)CC[NH2+]1 ZINC000085627955 179107046 /nfs/dbraw/zinc/10/70/46/179107046.db2.gz NFDILIRLWGLVHR-CQSZACIVSA-N 2 1 264.417 2.126 10 0 CEAEMP c1cn(CCC[N@H+]2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000085610342 179101452 /nfs/dbraw/zinc/10/14/52/179101452.db2.gz AECXPOCTXCYJTC-UHFFFAOYSA-N 2 1 276.428 2.271 10 0 CEAEMP CC1(C)C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611695 179102083 /nfs/dbraw/zinc/10/20/83/179102083.db2.gz SSRXFCAWSRKIEG-UHFFFAOYSA-N 2 1 268.323 2.029 10 0 CEAEMP CC(C)OCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623471 179105447 /nfs/dbraw/zinc/10/54/47/179105447.db2.gz XEYGQQCRCXUMJF-ZFWWWQNUSA-N 2 1 254.418 2.264 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCC2)C[N@H+]1CCCn1ccnc1 ZINC000085623132 179105625 /nfs/dbraw/zinc/10/56/25/179105625.db2.gz BHIYBFRBLOVXLM-HNNXBMFYSA-N 2 1 276.428 2.270 10 0 CEAEMP CC(C)OCC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623468 179105761 /nfs/dbraw/zinc/10/57/61/179105761.db2.gz XEYGQQCRCXUMJF-DZGCQCFKSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[C@@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086173854 179244870 /nfs/dbraw/zinc/24/48/70/179244870.db2.gz JKPYZRJOSJDJCD-IXDOHACOSA-N 2 1 279.472 2.178 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@@H+](CC)C1 ZINC000086172524 179244882 /nfs/dbraw/zinc/24/48/82/179244882.db2.gz QGASANBRWDEDOY-ARFHVFGLSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218148 179250105 /nfs/dbraw/zinc/25/01/05/179250105.db2.gz ZUSWIOOPVOVQKD-QCEMKRCNSA-N 2 1 266.429 2.406 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H](C)[C@@H]1CCCO1 ZINC000086218148 179250106 /nfs/dbraw/zinc/25/01/06/179250106.db2.gz ZUSWIOOPVOVQKD-QCEMKRCNSA-N 2 1 266.429 2.406 10 0 CEAEMP C[N@H+]1CC[C@@H](CN2CC(C)(C)[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086223083 179250647 /nfs/dbraw/zinc/25/06/47/179250647.db2.gz RBUKQTNATPRKQF-NVXWUHKLSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223136 179252205 /nfs/dbraw/zinc/25/22/05/179252205.db2.gz OCPPGAMPWPXDEJ-KBAYOESNSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086225428 179253627 /nfs/dbraw/zinc/25/36/27/179253627.db2.gz JOZPVFDPRPPRJW-SOUVJXGZSA-N 2 1 267.461 2.179 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259586 179258526 /nfs/dbraw/zinc/25/85/26/179258526.db2.gz ZZWYFTQCNFYYNX-BMGDILEWSA-N 2 1 285.435 2.258 10 0 CEAEMP C[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261110 179260369 /nfs/dbraw/zinc/26/03/69/179260369.db2.gz TYZPWGJPWVFLNG-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261110 179260371 /nfs/dbraw/zinc/26/03/71/179260371.db2.gz TYZPWGJPWVFLNG-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261056 179260479 /nfs/dbraw/zinc/26/04/79/179260479.db2.gz WLZSXEMPGKEGBB-LSDHHAIUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261056 179260481 /nfs/dbraw/zinc/26/04/81/179260481.db2.gz WLZSXEMPGKEGBB-LSDHHAIUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261128 179260503 /nfs/dbraw/zinc/26/05/03/179260503.db2.gz NFFLNLIJHADBFD-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1CCCC[NH+](C)C ZINC000086261128 179260504 /nfs/dbraw/zinc/26/05/04/179260504.db2.gz NFFLNLIJHADBFD-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086258993 179257261 /nfs/dbraw/zinc/25/72/61/179257261.db2.gz LPDYRJAWIIYSAG-DLBZAZTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293027 179266448 /nfs/dbraw/zinc/26/64/48/179266448.db2.gz AVTGSZIZVOTWCI-INIZCTEOSA-N 2 1 279.472 2.325 10 0 CEAEMP C([C@@H]1CCCOC1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086292469 179266587 /nfs/dbraw/zinc/26/65/87/179266587.db2.gz GXCAKXKXPSSHOM-AWEZNQCLSA-N 2 1 252.402 2.021 10 0 CEAEMP CC(C)C[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291578 179266658 /nfs/dbraw/zinc/26/66/58/179266658.db2.gz LJAKUSNCMFUNRN-CVEARBPZSA-N 2 1 267.461 2.038 10 0 CEAEMP Cc1ccc(N(C)[C@]2(C[NH3+])CCC[N@@H+](C)CC2)cc1 ZINC000086819526 179348936 /nfs/dbraw/zinc/34/89/36/179348936.db2.gz KUTNEKDVORSEOQ-MRXNPFEDSA-N 2 1 261.413 2.244 10 0 CEAEMP CCOC(=O)C1CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818799 179347043 /nfs/dbraw/zinc/34/70/43/179347043.db2.gz JTSNUFJEDWGOHI-SHARSMKWSA-N 2 1 282.428 2.182 10 0 CEAEMP CCCCN(C1CC1)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847900 179357379 /nfs/dbraw/zinc/35/73/79/179357379.db2.gz LEJSSNBUHRYVSG-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848953 179357527 /nfs/dbraw/zinc/35/75/27/179357527.db2.gz IGWFWNPTDQESBI-KRWDZBQOSA-N 2 1 279.472 2.453 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843403 179352517 /nfs/dbraw/zinc/35/25/17/179352517.db2.gz FUXVNLKDPFAXSR-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@@H+]1CCC[C@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843403 179352519 /nfs/dbraw/zinc/35/25/19/179352519.db2.gz FUXVNLKDPFAXSR-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC[C@@H]2CCCC[NH+]2C)CC1 ZINC000086843403 179352521 /nfs/dbraw/zinc/35/25/21/179352521.db2.gz FUXVNLKDPFAXSR-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000086843403 179352522 /nfs/dbraw/zinc/35/25/22/179352522.db2.gz FUXVNLKDPFAXSR-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000086843403 179352523 /nfs/dbraw/zinc/35/25/23/179352523.db2.gz FUXVNLKDPFAXSR-HOTGVXAUSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846747 179354527 /nfs/dbraw/zinc/35/45/27/179354527.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846747 179354528 /nfs/dbraw/zinc/35/45/28/179354528.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846747 179354529 /nfs/dbraw/zinc/35/45/29/179354529.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846747 179354531 /nfs/dbraw/zinc/35/45/31/179354531.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846747 179354533 /nfs/dbraw/zinc/35/45/33/179354533.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846265 179354786 /nfs/dbraw/zinc/35/47/86/179354786.db2.gz JXRLUIQJOSCCKV-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846791 179355173 /nfs/dbraw/zinc/35/51/73/179355173.db2.gz RENNYFFAWCUZMW-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845888 179355472 /nfs/dbraw/zinc/35/54/72/179355472.db2.gz RGKJJIILAWAHMX-JYJNAYRXSA-N 2 1 268.445 2.390 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845065 179355590 /nfs/dbraw/zinc/35/55/90/179355590.db2.gz PECDTEZERZGLBR-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[N@H+]1CCC[C@](CC(=O)OCC)([NH+](C)C)CC1 ZINC000086868540 179360839 /nfs/dbraw/zinc/36/08/39/179360839.db2.gz GGADTYOWRWBUBH-HNNXBMFYSA-N 2 1 270.417 2.136 10 0 CEAEMP COc1ccc(C[N@H+](C)[C@]2(C[NH3+])CCCOCC2)cc1 ZINC000086875132 179364645 /nfs/dbraw/zinc/36/46/45/179364645.db2.gz NUCAEXLKHVRWQE-MRXNPFEDSA-N 2 1 278.396 2.025 10 0 CEAEMP COc1ccc(C[N@@H+](C)[C@]2(C[NH3+])CCCOCC2)cc1 ZINC000086875132 179364647 /nfs/dbraw/zinc/36/46/47/179364647.db2.gz NUCAEXLKHVRWQE-MRXNPFEDSA-N 2 1 278.396 2.025 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000086850966 179359169 /nfs/dbraw/zinc/35/91/69/179359169.db2.gz WVRPFLVFRAOALL-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP CCCSC[C@H](Cc1cc[nH+]c(N)c1)[NH2+]CC ZINC000087107686 179395320 /nfs/dbraw/zinc/39/53/20/179395320.db2.gz ICMRDDQBCWEYJY-LBPRGKRZSA-N 2 1 253.415 2.328 10 0 CEAEMP CC[N@@H+]1CCC[C@@](O)(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000087186357 179399936 /nfs/dbraw/zinc/39/99/36/179399936.db2.gz RYYMXRRADANDED-KRWDZBQOSA-N 2 1 292.423 2.486 10 0 CEAEMP CC[N@H+]1CCC[C@@](O)(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000087186357 179399937 /nfs/dbraw/zinc/39/99/37/179399937.db2.gz RYYMXRRADANDED-KRWDZBQOSA-N 2 1 292.423 2.486 10 0 CEAEMP Cc1nonc1C[N@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067869332 362930466 /nfs/dbraw/zinc/93/04/66/362930466.db2.gz DIESEKJMSLDIIV-UHFFFAOYSA-N 2 1 278.400 2.122 10 0 CEAEMP C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342604 233176678 /nfs/dbraw/zinc/17/66/78/233176678.db2.gz JDXFSBWLHGIFLG-JQHSSLGASA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342604 233176681 /nfs/dbraw/zinc/17/66/81/233176681.db2.gz JDXFSBWLHGIFLG-JQHSSLGASA-N 2 1 287.451 2.239 10 0 CEAEMP CC[NH2+][C@@H]1CC[N@H+](CCOC2CCCC2)[C@H](C)C1 ZINC000104435419 186001153 /nfs/dbraw/zinc/00/11/53/186001153.db2.gz QSKZWHVPZZCDRY-ZIAGYGMSSA-N 2 1 254.418 2.408 10 0 CEAEMP CC[NH2+][C@@H]1CC[N@@H+](CCOC2CCCC2)[C@H](C)C1 ZINC000104435419 186001154 /nfs/dbraw/zinc/00/11/54/186001154.db2.gz QSKZWHVPZZCDRY-ZIAGYGMSSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000090567250 180006331 /nfs/dbraw/zinc/00/63/31/180006331.db2.gz URDUYAOJVGLPIZ-DGCLKSJQSA-N 2 1 294.361 2.275 10 0 CEAEMP C[C@]1(C[N@@H+]2CCC[C@@H]2C2CCCC2)COC[C@@H]1[NH3+] ZINC000090606931 180011287 /nfs/dbraw/zinc/01/12/87/180011287.db2.gz MDXDOKSLMANJOV-ILXRZTDVSA-N 2 1 252.402 2.005 10 0 CEAEMP C[C@]1(C[N@H+]2CCC[C@@H]2C2CCCC2)COC[C@@H]1[NH3+] ZINC000090606931 180011288 /nfs/dbraw/zinc/01/12/88/180011288.db2.gz MDXDOKSLMANJOV-ILXRZTDVSA-N 2 1 252.402 2.005 10 0 CEAEMP FC(F)(F)COCCC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693619 180026131 /nfs/dbraw/zinc/02/61/31/180026131.db2.gz JRYMASDUPVIEKG-OLZOCXBDSA-N 2 1 294.361 2.419 10 0 CEAEMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694630 180026352 /nfs/dbraw/zinc/02/63/52/180026352.db2.gz BXTVWJXQHWTYIB-CZUORRHYSA-N 2 1 295.471 2.144 10 0 CEAEMP C[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1(C[NH3+])CCCC1 ZINC000090879182 180052618 /nfs/dbraw/zinc/05/26/18/180052618.db2.gz JRGBSLSRTQBYAY-AWEZNQCLSA-N 2 1 278.371 2.333 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1(C[NH3+])CCCC1 ZINC000090879182 180052621 /nfs/dbraw/zinc/05/26/21/180052621.db2.gz JRGBSLSRTQBYAY-AWEZNQCLSA-N 2 1 278.371 2.333 10 0 CEAEMP CC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C(C)(C)C[NH3+] ZINC000090879189 180053011 /nfs/dbraw/zinc/05/30/11/180053011.db2.gz XKZBWSVVJYVAQH-CYBMUJFWSA-N 2 1 266.360 2.188 10 0 CEAEMP CC[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C(C)(C)C[NH3+] ZINC000090879189 180053013 /nfs/dbraw/zinc/05/30/13/180053013.db2.gz XKZBWSVVJYVAQH-CYBMUJFWSA-N 2 1 266.360 2.188 10 0 CEAEMP Cc1ccc2c(c1)C[C@H](C[N@H+](CCC(N)=[NH2+])C(C)C)O2 ZINC000090898687 180057717 /nfs/dbraw/zinc/05/77/17/180057717.db2.gz HFUDYKZHJMLFIE-CQSZACIVSA-N 2 1 275.396 2.335 10 0 CEAEMP [NH3+]CCc1nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000090958785 180074830 /nfs/dbraw/zinc/07/48/30/180074830.db2.gz XXGSOTDCFHJJLM-YPMHNXCESA-N 2 1 265.426 2.409 10 0 CEAEMP CC(C)[C@@H]1CCC[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958816 180075716 /nfs/dbraw/zinc/07/57/16/180075716.db2.gz UZOKNVNSQCMOBM-LBPRGKRZSA-N 2 1 253.415 2.265 10 0 CEAEMP [NH3+]Cc1cn(Cc2c[nH+]cn2C2CC2)c2ncccc12 ZINC000091019156 180088149 /nfs/dbraw/zinc/08/81/49/180088149.db2.gz CDEPCNZJRKBNBH-UHFFFAOYSA-N 2 1 267.336 2.075 10 0 CEAEMP [NH3+]CC1([C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000669377279 539760076 /nfs/dbraw/zinc/76/00/76/539760076.db2.gz LMYJIFDDMLDMKQ-QGZVFWFLSA-N 2 1 274.408 2.143 10 0 CEAEMP CC(C)(C)NC(=O)C[C@H](CN)[NH+]1CCC(C(C)(C)C)CC1 ZINC000091321527 180134432 /nfs/dbraw/zinc/13/44/32/180134432.db2.gz XVENYUTZZQUWNY-CQSZACIVSA-N 2 1 297.487 2.377 10 0 CEAEMP C[N@@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccccc1 ZINC000091291967 180122830 /nfs/dbraw/zinc/12/28/30/180122830.db2.gz JDINZVQYQNRGAD-CQSZACIVSA-N 2 1 250.411 2.214 10 0 CEAEMP CCC[NH2+]CC(CC)(CC)C[N@@H+](C)CC1CC(O)C1 ZINC000091489590 180168964 /nfs/dbraw/zinc/16/89/64/180168964.db2.gz NLQHZHLIHXQIMS-UHFFFAOYSA-N 2 1 270.461 2.495 10 0 CEAEMP CC[C@](C)(C[NH2+]CC(C)C)C[N@@H+](C)CC1CC(O)C1 ZINC000091491163 180169731 /nfs/dbraw/zinc/16/97/31/180169731.db2.gz XEUIGJCXSBSOQP-UYSNPLJNSA-N 2 1 270.461 2.351 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)CC2CC(O)C2)CCCCCC1 ZINC000091490764 180170144 /nfs/dbraw/zinc/17/01/44/180170144.db2.gz NDFIHXXJWFZAND-UHFFFAOYSA-N 2 1 268.445 2.249 10 0 CEAEMP CC[C@H](CC[NH3+])CCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091395349 180146126 /nfs/dbraw/zinc/14/61/26/180146126.db2.gz YHECKRLPDLQIJC-GJZGRUSLSA-N 2 1 255.450 2.168 10 0 CEAEMP CC[C@H](CC[NH3+])CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091395349 180146129 /nfs/dbraw/zinc/14/61/29/180146129.db2.gz YHECKRLPDLQIJC-GJZGRUSLSA-N 2 1 255.450 2.168 10 0 CEAEMP C[C@H]([NH3+])C(C)(C)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000091402331 180147118 /nfs/dbraw/zinc/14/71/18/180147118.db2.gz SQNMBLVWNVTMDI-GOEBONIOSA-N 2 1 275.440 2.349 10 0 CEAEMP C[C@H]([NH3+])C(C)(C)C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000091402331 180147121 /nfs/dbraw/zinc/14/71/21/180147121.db2.gz SQNMBLVWNVTMDI-GOEBONIOSA-N 2 1 275.440 2.349 10 0 CEAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000091402331 180147123 /nfs/dbraw/zinc/14/71/23/180147123.db2.gz SQNMBLVWNVTMDI-GOEBONIOSA-N 2 1 275.440 2.349 10 0 CEAEMP CCC[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)[NH+](CC)CC ZINC000091532014 180181529 /nfs/dbraw/zinc/18/15/29/180181529.db2.gz FOORMSIHWQVYGU-OAHLLOKOSA-N 2 1 280.460 2.451 10 0 CEAEMP CC[NH2+][C@@H](Cc1cc(CC)nn1C)C(C)(C)[NH+]1CCCC1 ZINC000091535599 180182208 /nfs/dbraw/zinc/18/22/08/180182208.db2.gz BCZHKBIKQNULCS-INIZCTEOSA-N 2 1 292.471 2.378 10 0 CEAEMP C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662600 180219486 /nfs/dbraw/zinc/21/94/86/180219486.db2.gz DDIUBLWVRKANAS-DJIMGWMZSA-N 2 1 274.408 2.070 10 0 CEAEMP C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662600 180219489 /nfs/dbraw/zinc/21/94/89/180219489.db2.gz DDIUBLWVRKANAS-DJIMGWMZSA-N 2 1 274.408 2.070 10 0 CEAEMP [NH3+][C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720808 180234977 /nfs/dbraw/zinc/23/49/77/180234977.db2.gz ZNZWZHFEVDJQEP-MGPQQGTHSA-N 2 1 266.772 2.203 10 0 CEAEMP [NH3+][C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720808 180234979 /nfs/dbraw/zinc/23/49/79/180234979.db2.gz ZNZWZHFEVDJQEP-MGPQQGTHSA-N 2 1 266.772 2.203 10 0 CEAEMP CCCOc1ccc([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720723 180235693 /nfs/dbraw/zinc/23/56/93/180235693.db2.gz BLJCRWMYGHFWMM-OIISXLGYSA-N 2 1 290.407 2.338 10 0 CEAEMP CCCOc1ccc([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720723 180235696 /nfs/dbraw/zinc/23/56/96/180235696.db2.gz BLJCRWMYGHFWMM-OIISXLGYSA-N 2 1 290.407 2.338 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720655 180236778 /nfs/dbraw/zinc/23/67/78/180236778.db2.gz FFAIXISHHXGASZ-OAGGEKHMSA-N 2 1 260.381 2.166 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721221 180237568 /nfs/dbraw/zinc/23/75/68/180237568.db2.gz MABHZANJDHUVTA-KURKYZTESA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721221 180237570 /nfs/dbraw/zinc/23/75/70/180237570.db2.gz MABHZANJDHUVTA-KURKYZTESA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@H](CCc1ccsc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721259 180238424 /nfs/dbraw/zinc/23/84/24/180238424.db2.gz MKVNPEQUQIXYGC-RBSFLKMASA-N 2 1 280.437 2.132 10 0 CEAEMP C[NH2+][C@H](CCc1ccsc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721259 180238425 /nfs/dbraw/zinc/23/84/25/180238425.db2.gz MKVNPEQUQIXYGC-RBSFLKMASA-N 2 1 280.437 2.132 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844737 180268872 /nfs/dbraw/zinc/26/88/72/180268872.db2.gz AZFZOBIWVJZFMQ-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844737 180268875 /nfs/dbraw/zinc/26/88/75/180268875.db2.gz AZFZOBIWVJZFMQ-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844737 180268880 /nfs/dbraw/zinc/26/88/80/180268880.db2.gz AZFZOBIWVJZFMQ-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CCn1cc([C@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000091844192 180269261 /nfs/dbraw/zinc/26/92/61/180269261.db2.gz PMDSOSGLQFBKMT-XGNXJENSSA-N 2 1 250.390 2.166 10 0 CEAEMP CCOC(=O)c1ccoc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846490 180270499 /nfs/dbraw/zinc/27/04/99/180270499.db2.gz FGPFJBUHLCHTNS-UHFFFAOYSA-N 2 1 280.368 2.158 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CCC([NH3+])CC1 ZINC000091847638 180271183 /nfs/dbraw/zinc/27/11/83/180271183.db2.gz DDYSSKQKELTBCB-NRXISQOPSA-N 2 1 278.371 2.331 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000091873133 180278067 /nfs/dbraw/zinc/27/80/67/180278067.db2.gz ALWANPKJBOIJRI-YMAMQOFZSA-N 2 1 282.428 2.135 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2nc(C)ccc2O)CC1 ZINC000091996247 180302161 /nfs/dbraw/zinc/30/21/61/180302161.db2.gz GJIAZFFKAPLNSG-UHFFFAOYSA-N 2 1 263.385 2.058 10 0 CEAEMP CC[N@@H+](C[C@@H]1COc2ccccc21)C1CC[NH2+]CC1 ZINC000092304388 180359643 /nfs/dbraw/zinc/35/96/43/180359643.db2.gz AOJWMQKURVKJMS-CYBMUJFWSA-N 2 1 260.381 2.237 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2c(C)noc2C)CC1 ZINC000092329670 180363849 /nfs/dbraw/zinc/36/38/49/180363849.db2.gz ZQZRZJVCVNBWTR-CYBMUJFWSA-N 2 1 251.374 2.255 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]Cc2c(C)noc2C)CC1 ZINC000092329670 180363851 /nfs/dbraw/zinc/36/38/51/180363851.db2.gz ZQZRZJVCVNBWTR-CYBMUJFWSA-N 2 1 251.374 2.255 10 0 CEAEMP Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000092428947 180383366 /nfs/dbraw/zinc/38/33/66/180383366.db2.gz PFHVCYXJBZXPJR-MQVJKMGUSA-N 2 1 259.397 2.495 10 0 CEAEMP Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000092428947 180383369 /nfs/dbraw/zinc/38/33/69/180383369.db2.gz PFHVCYXJBZXPJR-MQVJKMGUSA-N 2 1 259.397 2.495 10 0 CEAEMP CCC[NH2+][C@@H](CC)CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000092627564 180419216 /nfs/dbraw/zinc/41/92/16/180419216.db2.gz BNJJJCRACFRSRH-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@@H]([NH3+])c1cc(F)ccc1N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000109571546 186264477 /nfs/dbraw/zinc/26/44/77/186264477.db2.gz XIBONBFRYYWFHH-YPMHNXCESA-N 2 1 265.376 2.376 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCC[N@@H+](CCC(C)C)C1CC1 ZINC000109999723 186281793 /nfs/dbraw/zinc/28/17/93/186281793.db2.gz LXIWZKAUPJUKAR-HNNXBMFYSA-N 2 1 270.417 2.168 10 0 CEAEMP CC[N@H+]1CCN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000110694756 186313515 /nfs/dbraw/zinc/31/35/15/186313515.db2.gz BRMSXAPCPSMSCJ-QWHCGFSZSA-N 2 1 290.411 2.264 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(C)s2)C[C@@H]1C ZINC000110702710 186314706 /nfs/dbraw/zinc/31/47/06/186314706.db2.gz XFKMNHGNZAXLKU-AAEUAGOBSA-N 2 1 267.442 2.082 10 0 CEAEMP COc1ccc([C@H](C)[NH3+])cc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716948 186315269 /nfs/dbraw/zinc/31/52/69/186315269.db2.gz AEVBDDHLAKYACG-ZDUSSCGKSA-N 2 1 291.439 2.241 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000110716543 186316135 /nfs/dbraw/zinc/31/61/35/186316135.db2.gz LCYQNLKMXQNNNF-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP CCOc1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)[C@@H](CC)C2)cc1 ZINC000110715504 186316258 /nfs/dbraw/zinc/31/62/58/186316258.db2.gz SQKAPPTWWNLJRV-RDJZCZTQSA-N 2 1 291.439 2.111 10 0 CEAEMP CCCC(C[NH3+])(CCC)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110712038 186316275 /nfs/dbraw/zinc/31/62/75/186316275.db2.gz MXNDOXAJPBZHJS-UHFFFAOYSA-N 2 1 255.450 2.310 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000110712171 186316486 /nfs/dbraw/zinc/31/64/86/186316486.db2.gz YTKYYAOITCHZKH-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110746826 186319825 /nfs/dbraw/zinc/31/98/25/186319825.db2.gz SMOUGKHKCCYQBY-OAGGEKHMSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110746826 186319826 /nfs/dbraw/zinc/31/98/26/186319826.db2.gz SMOUGKHKCCYQBY-OAGGEKHMSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110746826 186319827 /nfs/dbraw/zinc/31/98/27/186319827.db2.gz SMOUGKHKCCYQBY-OAGGEKHMSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@H]1CN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC[N@H+]1C ZINC000110751627 186320511 /nfs/dbraw/zinc/32/05/11/186320511.db2.gz ZJEVKSHXKWJVJX-ZDUSSCGKSA-N 2 1 279.428 2.304 10 0 CEAEMP CC[NH2+]CC(CC)(CC)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747360 186320764 /nfs/dbraw/zinc/32/07/64/186320764.db2.gz AYFBABOBWMOOPW-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]CC(CC)(CC)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747360 186320766 /nfs/dbraw/zinc/32/07/66/186320766.db2.gz AYFBABOBWMOOPW-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747360 186320767 /nfs/dbraw/zinc/32/07/67/186320767.db2.gz AYFBABOBWMOOPW-UHFFFAOYSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+][C@@H](C[N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111160844 186363032 /nfs/dbraw/zinc/36/30/32/186363032.db2.gz XKHMSYUIJBSKCE-KBPBESRZSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+][C@@H](C[N@@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111160844 186363034 /nfs/dbraw/zinc/36/30/34/186363034.db2.gz XKHMSYUIJBSKCE-KBPBESRZSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160597 186363207 /nfs/dbraw/zinc/36/32/07/186363207.db2.gz FAJKZQIXTNLWJM-KKUMJFAQSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160597 186363209 /nfs/dbraw/zinc/36/32/09/186363209.db2.gz FAJKZQIXTNLWJM-KKUMJFAQSA-N 2 1 254.418 2.266 10 0 CEAEMP Cc1ccc([C@H](O)C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000111143945 186359468 /nfs/dbraw/zinc/35/94/68/186359468.db2.gz HLJRLYDLMBERND-MRXNPFEDSA-N 2 1 264.413 2.220 10 0 CEAEMP Cc1ccc([C@H](O)C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000111143945 186359470 /nfs/dbraw/zinc/35/94/70/186359470.db2.gz HLJRLYDLMBERND-MRXNPFEDSA-N 2 1 264.413 2.220 10 0 CEAEMP CC(C)[C@@H]1CC[C@H](O)[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000111143999 186359607 /nfs/dbraw/zinc/35/96/07/186359607.db2.gz WKOXUNIHNCFCPG-KFWWJZLASA-N 2 1 256.434 2.056 10 0 CEAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111175113 186365884 /nfs/dbraw/zinc/36/58/84/186365884.db2.gz FFYVCFINDDJRBM-CABCVRRESA-N 2 1 256.434 2.227 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H]2C)CCCOC1 ZINC000111323364 186396995 /nfs/dbraw/zinc/39/69/95/186396995.db2.gz FGMYCRPBGZVBMF-LSDHHAIUSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324387 186397114 /nfs/dbraw/zinc/39/71/14/186397114.db2.gz ZNKCISQGOYATEE-IAGOWNOFSA-N 2 1 298.471 2.020 10 0 CEAEMP [NH3+]C[C@H]([C@@H]1CCCOC1)[N@@H+]1CCCc2ccccc2C1 ZINC000111321253 186397221 /nfs/dbraw/zinc/39/72/21/186397221.db2.gz CHIPBBBWLACGJF-IAGOWNOFSA-N 2 1 274.408 2.189 10 0 CEAEMP [NH3+]C[C@H]([C@@H]1CCCOC1)[N@H+]1CCCc2ccccc2C1 ZINC000111321253 186397222 /nfs/dbraw/zinc/39/72/22/186397222.db2.gz CHIPBBBWLACGJF-IAGOWNOFSA-N 2 1 274.408 2.189 10 0 CEAEMP [NH3+]C[C@@]1(C[N@H+]2CCC[C@@H]2C2CCCC2)CCCOC1 ZINC000111326844 186398100 /nfs/dbraw/zinc/39/81/00/186398100.db2.gz OSGIEGWAAXHCFJ-HZPDHXFCSA-N 2 1 266.429 2.397 10 0 CEAEMP CC1(C)CCC[N@H+]1C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111329497 186399980 /nfs/dbraw/zinc/39/99/80/186399980.db2.gz IDEJECLGNJIVHP-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079518394 363612913 /nfs/dbraw/zinc/61/29/13/363612913.db2.gz KYENGJDORWYOHN-QGZVFWFLSA-N 2 1 295.471 2.099 10 0 CEAEMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151340487 366640315 /nfs/dbraw/zinc/64/03/15/366640315.db2.gz MSCPQLCXQXRJNJ-WBVHZDCISA-N 2 1 276.424 2.492 10 0 CEAEMP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400724552 299305633 /nfs/dbraw/zinc/30/56/33/299305633.db2.gz PCZDTKFJDCDELI-KKUMJFAQSA-N 2 1 277.412 2.004 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000181655672 368480192 /nfs/dbraw/zinc/48/01/92/368480192.db2.gz ZRAXFRVIMSXOKE-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181655672 368480194 /nfs/dbraw/zinc/48/01/94/368480194.db2.gz ZRAXFRVIMSXOKE-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181655672 368480197 /nfs/dbraw/zinc/48/01/97/368480197.db2.gz ZRAXFRVIMSXOKE-BZUAXINKSA-N 2 1 267.461 2.179 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1OC ZINC000634999491 369034315 /nfs/dbraw/zinc/03/43/15/369034315.db2.gz VJFFUKOTZMTBOO-JQWIXIFHSA-N 2 1 298.814 2.384 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1OC ZINC000634999491 369034320 /nfs/dbraw/zinc/03/43/20/369034320.db2.gz VJFFUKOTZMTBOO-JQWIXIFHSA-N 2 1 298.814 2.384 10 0 CEAEMP C[N@@H+](CCN1CC[NH+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000186992486 369082936 /nfs/dbraw/zinc/08/29/36/369082936.db2.gz URLQPFWEXIUIKQ-QGZVFWFLSA-N 2 1 291.414 2.038 10 0 CEAEMP C[NH+](CCN1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000186992486 369082939 /nfs/dbraw/zinc/08/29/39/369082939.db2.gz URLQPFWEXIUIKQ-QGZVFWFLSA-N 2 1 291.414 2.038 10 0 CEAEMP C[NH+](CCN1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000186992486 369082946 /nfs/dbraw/zinc/08/29/46/369082946.db2.gz URLQPFWEXIUIKQ-QGZVFWFLSA-N 2 1 291.414 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221715932 370243224 /nfs/dbraw/zinc/24/32/24/370243224.db2.gz CKKXSOFANOKPTB-JKSUJKDBSA-N 2 1 289.423 2.067 10 0 CEAEMP CCn1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261609718 371677878 /nfs/dbraw/zinc/67/78/78/371677878.db2.gz APAYYDPEWITRAD-WBVHZDCISA-N 2 1 284.407 2.077 10 0 CEAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261579384 371659803 /nfs/dbraw/zinc/65/98/03/371659803.db2.gz DTURRIKELYQHGP-YUDUHTQSSA-N 2 1 260.381 2.425 10 0 CEAEMP c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261882695 371760576 /nfs/dbraw/zinc/76/05/76/371760576.db2.gz FNLIPDBSCRCKDT-KFWWJZLASA-N 2 1 280.437 2.037 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261890252 371762954 /nfs/dbraw/zinc/76/29/54/371762954.db2.gz GJIQUGMOZFDPPH-MAZHCROVSA-N 2 1 296.361 2.212 10 0 CEAEMP Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261991390 371793109 /nfs/dbraw/zinc/79/31/09/371793109.db2.gz STKARNUDEDGPQL-BBWFWOEESA-N 2 1 274.408 2.242 10 0 CEAEMP CC(C)c1nc([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043250 371811660 /nfs/dbraw/zinc/81/16/60/371811660.db2.gz PJPVCZISTDEIMJ-CJNGLKHVSA-N 2 1 292.427 2.372 10 0 CEAEMP CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000262043250 371811666 /nfs/dbraw/zinc/81/16/66/371811666.db2.gz PJPVCZISTDEIMJ-CJNGLKHVSA-N 2 1 292.427 2.372 10 0 CEAEMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000262317730 371851294 /nfs/dbraw/zinc/85/12/94/371851294.db2.gz DTMNUNLPDWFBFX-FMKPAKJESA-N 2 1 291.439 2.129 10 0 CEAEMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456966 373127515 /nfs/dbraw/zinc/12/75/15/373127515.db2.gz KXMUMPRFORGTFT-HRCADAONSA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456966 373127517 /nfs/dbraw/zinc/12/75/17/373127517.db2.gz KXMUMPRFORGTFT-HRCADAONSA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456966 373127518 /nfs/dbraw/zinc/12/75/18/373127518.db2.gz KXMUMPRFORGTFT-HRCADAONSA-N 3 1 267.461 2.229 10 0 CEAEMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000191490831 542342434 /nfs/dbraw/zinc/34/24/34/542342434.db2.gz POMQYYPDZYOEBI-MRXNPFEDSA-N 2 1 299.422 2.399 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH2+]CCC(C)(C)O)([NH+](C)C)C1 ZINC000092801094 184627678 /nfs/dbraw/zinc/62/76/78/184627678.db2.gz MJIWAYGZMFJAMM-HIFRSBDPSA-N 2 1 256.434 2.248 10 0 CEAEMP COC[C@H]1CC[N@@H+](C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])C1 ZINC000081115856 177773633 /nfs/dbraw/zinc/77/36/33/177773633.db2.gz VYCQDRBQJYGRQJ-FZKCQIBNSA-N 2 1 268.445 2.354 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH2+]CC2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000094010343 184749969 /nfs/dbraw/zinc/74/99/69/184749969.db2.gz ABCJYFAWSLBLPF-GDBMZVCRSA-N 3 1 267.461 2.086 10 0 CEAEMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)CC(=O)OCC ZINC000094025737 184751457 /nfs/dbraw/zinc/75/14/57/184751457.db2.gz SMETUZUBGYAXRB-ZDUSSCGKSA-N 2 1 270.417 2.040 10 0 CEAEMP C[C@@H]([NH2+]Cc1ccccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000400484965 533460333 /nfs/dbraw/zinc/46/03/33/533460333.db2.gz XCVLLRCCJAJPMG-GHMZBOCLSA-N 2 1 270.323 2.376 10 0 CEAEMP C[C@@H](CCN[C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354569 533611110 /nfs/dbraw/zinc/61/11/10/533611110.db2.gz AAJGSVPPXXTIAJ-BQFCYCMXSA-N 2 1 289.467 2.485 10 0 CEAEMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354569 533611117 /nfs/dbraw/zinc/61/11/17/533611117.db2.gz AAJGSVPPXXTIAJ-BQFCYCMXSA-N 3 1 289.467 2.485 10 0 CEAEMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400354569 533611123 /nfs/dbraw/zinc/61/11/23/533611123.db2.gz AAJGSVPPXXTIAJ-BQFCYCMXSA-N 3 1 289.467 2.485 10 0 CEAEMP CCc1cc(N2CCCC[C@@H]2CC[NH2+]C)nc(C)[nH+]1 ZINC000088760665 135056927 /nfs/dbraw/zinc/05/69/27/135056927.db2.gz MHAOZAWUOWBJEE-CQSZACIVSA-N 2 1 262.401 2.316 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H]3C)CC2)c1C ZINC000092957716 135077376 /nfs/dbraw/zinc/07/73/76/135077376.db2.gz TYMHCPRIEAWBAK-SJORKVTESA-N 2 1 287.451 2.423 10 0 CEAEMP C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093068325 135079249 /nfs/dbraw/zinc/07/92/49/135079249.db2.gz LCVDUGBUOAOYIC-GJZGRUSLSA-N 2 1 261.413 2.053 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1F ZINC000094444591 135088870 /nfs/dbraw/zinc/08/88/70/135088870.db2.gz OGHXISKTPZTEQZ-UKRRQHHQSA-N 2 1 291.414 2.390 10 0 CEAEMP C[C@@H]1CCN(C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000306791382 394517944 /nfs/dbraw/zinc/51/79/44/394517944.db2.gz XNEOXBOWOWJSRU-MRXNPFEDSA-N 2 1 287.451 2.335 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792266 394607523 /nfs/dbraw/zinc/60/75/23/394607523.db2.gz GHECCHOIYBJQQP-XBVQOTNRSA-N 2 1 280.456 2.248 10 0 CEAEMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261853737 394608307 /nfs/dbraw/zinc/60/83/07/394608307.db2.gz BKWWGTLIJHZSTQ-OAGGEKHMSA-N 2 1 266.429 2.313 10 0 CEAEMP CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119106685 394763845 /nfs/dbraw/zinc/76/38/45/394763845.db2.gz RIYMBXMIWBPCFY-LZWOXQAQSA-N 2 1 268.445 2.390 10 0 CEAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422767385 394770023 /nfs/dbraw/zinc/77/00/23/394770023.db2.gz QYUSMSYFKOODRX-YOOVYSLHSA-N 2 1 258.365 2.383 10 0 CEAEMP C[C@]1(CNC2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000397887050 395228233 /nfs/dbraw/zinc/22/82/33/395228233.db2.gz JPHRHWZVFOMXPT-GOSISDBHSA-N 3 1 287.451 2.383 10 0 CEAEMP CCn1cnnc1[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191587878 153182720 /nfs/dbraw/zinc/18/27/20/153182720.db2.gz GPRVWIACVGXJAW-OAHLLOKOSA-N 2 1 293.459 2.209 10 0 CEAEMP CCn1cnnc1[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191587878 153182723 /nfs/dbraw/zinc/18/27/23/153182723.db2.gz GPRVWIACVGXJAW-OAHLLOKOSA-N 2 1 293.459 2.209 10 0 CEAEMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261790678 153839165 /nfs/dbraw/zinc/83/91/65/153839165.db2.gz XRYKCXUINUDMQV-XKQJLSEDSA-N 2 1 290.407 2.133 10 0 CEAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217717 171080483 /nfs/dbraw/zinc/08/04/83/171080483.db2.gz CBYXFOQSWRYYQD-CABCVRRESA-N 2 1 255.450 2.168 10 0 CEAEMP CC(C)C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043304 174049802 /nfs/dbraw/zinc/04/98/02/174049802.db2.gz KWJJDKUFPJTIGR-HOCLYGCPSA-N 2 1 295.471 2.096 10 0 CEAEMP CC(C)C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043304 174049803 /nfs/dbraw/zinc/04/98/03/174049803.db2.gz KWJJDKUFPJTIGR-HOCLYGCPSA-N 2 1 295.471 2.096 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC000040593428 174347689 /nfs/dbraw/zinc/34/76/89/174347689.db2.gz JIGIEJYFNAUOBE-OAHLLOKOSA-N 2 1 290.407 2.279 10 0 CEAEMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC000040593428 174347690 /nfs/dbraw/zinc/34/76/90/174347690.db2.gz JIGIEJYFNAUOBE-OAHLLOKOSA-N 2 1 290.407 2.279 10 0 CEAEMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000040735932 174389278 /nfs/dbraw/zinc/38/92/78/174389278.db2.gz DLIUAWNSRRAUNC-HIFRSBDPSA-N 2 1 262.397 2.255 10 0 CEAEMP CC(=O)c1ccccc1OCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750300 174395333 /nfs/dbraw/zinc/39/53/33/174395333.db2.gz ABSIOJQTVAAXBK-GOOCMWNKSA-N 2 1 288.391 2.222 10 0 CEAEMP CC(=O)c1ccccc1OCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750300 174395334 /nfs/dbraw/zinc/39/53/34/174395334.db2.gz ABSIOJQTVAAXBK-GOOCMWNKSA-N 2 1 288.391 2.222 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818515 175112849 /nfs/dbraw/zinc/11/28/49/175112849.db2.gz VNROVPZVNPUKOT-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895188 175119589 /nfs/dbraw/zinc/11/95/89/175119589.db2.gz DROQSSPVKDRSHR-NUEKZKHPSA-N 2 1 296.455 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C1CC1)OCCO2 ZINC000043895188 175119590 /nfs/dbraw/zinc/11/95/90/175119590.db2.gz DROQSSPVKDRSHR-NUEKZKHPSA-N 2 1 296.455 2.381 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043914918 175124603 /nfs/dbraw/zinc/12/46/03/175124603.db2.gz UTTXYVNSXDODAI-HUUCEWRRSA-N 2 1 284.444 2.238 10 0 CEAEMP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043914918 175124604 /nfs/dbraw/zinc/12/46/04/175124604.db2.gz UTTXYVNSXDODAI-HUUCEWRRSA-N 2 1 284.444 2.238 10 0 CEAEMP CCCC[N@H+](CC[C@@](C)([NH2+]CC)C(N)=O)[C@@H](C)CC ZINC000045282658 175353693 /nfs/dbraw/zinc/35/36/93/175353693.db2.gz QBEOMQKXYWATOT-DZGCQCFKSA-N 2 1 271.449 2.131 10 0 CEAEMP CCCC[N@@H+](CC[C@@](C)([NH2+]CC)C(N)=O)[C@@H](C)CC ZINC000045282658 175353695 /nfs/dbraw/zinc/35/36/95/175353695.db2.gz QBEOMQKXYWATOT-DZGCQCFKSA-N 2 1 271.449 2.131 10 0 CEAEMP COC(=O)[C@@](C)([NH3+])CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000045373279 175364924 /nfs/dbraw/zinc/36/49/24/175364924.db2.gz LYWMURHBHKTUGG-NFAWXSAZSA-N 2 1 270.417 2.025 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375853 175366403 /nfs/dbraw/zinc/36/64/03/175366403.db2.gz VVDSGSIHNFSLEU-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C ZINC000045377965 175367491 /nfs/dbraw/zinc/36/74/91/175367491.db2.gz RTVMBGZJTASKOV-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C ZINC000045377965 175367493 /nfs/dbraw/zinc/36/74/93/175367493.db2.gz RTVMBGZJTASKOV-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381032 175369826 /nfs/dbraw/zinc/36/98/26/175369826.db2.gz DAORWEPAYICZPH-HNNXBMFYSA-N 2 1 272.433 2.284 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C(C)C ZINC000045381032 175369828 /nfs/dbraw/zinc/36/98/28/175369828.db2.gz DAORWEPAYICZPH-HNNXBMFYSA-N 2 1 272.433 2.284 10 0 CEAEMP COC(=O)[C@@](C)(CCCC[N@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383227 175370772 /nfs/dbraw/zinc/37/07/72/175370772.db2.gz ROUBAPKCLVLUBV-OAHLLOKOSA-N 2 1 270.417 2.181 10 0 CEAEMP COC(=O)[C@@](C)(CCCC[N@@H+](C)C1CC1)[NH2+]C(C)C ZINC000045383227 175370773 /nfs/dbraw/zinc/37/07/73/175370773.db2.gz ROUBAPKCLVLUBV-OAHLLOKOSA-N 2 1 270.417 2.181 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383839 175371179 /nfs/dbraw/zinc/37/11/79/175371179.db2.gz RKBJOTDBUBGWBX-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383839 175371181 /nfs/dbraw/zinc/37/11/81/175371181.db2.gz RKBJOTDBUBGWBX-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CCCC[C@@H]1CC ZINC000045384251 175371452 /nfs/dbraw/zinc/37/14/52/175371452.db2.gz FZBSYAMQYBLXTD-ZFWWWQNUSA-N 2 1 270.417 2.312 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1CCCC[C@@H]1CC ZINC000045384251 175371453 /nfs/dbraw/zinc/37/14/53/175371453.db2.gz FZBSYAMQYBLXTD-ZFWWWQNUSA-N 2 1 270.417 2.312 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388541 175373614 /nfs/dbraw/zinc/37/36/14/175373614.db2.gz CLTUDHBZKYVNMP-GOEBONIOSA-N 2 1 285.476 2.378 10 0 CEAEMP COC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393059 175375399 /nfs/dbraw/zinc/37/53/99/175375399.db2.gz ZIODZYQQAJIGKP-XJKSGUPXSA-N 2 1 284.444 2.427 10 0 CEAEMP COC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C(C)C ZINC000045393059 175375401 /nfs/dbraw/zinc/37/54/01/175375401.db2.gz ZIODZYQQAJIGKP-XJKSGUPXSA-N 2 1 284.444 2.427 10 0 CEAEMP Cc1cc(C)cc(C[C@H]([NH3+])Cc2cc[nH+]c(N)c2)c1 ZINC000070403355 175911685 /nfs/dbraw/zinc/91/16/85/175911685.db2.gz QRQWUHISBACFNJ-OAHLLOKOSA-N 2 1 255.365 2.393 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000071162186 176045993 /nfs/dbraw/zinc/04/59/93/176045993.db2.gz DHQFBXYTKKXONO-BRWVUGGUSA-N 2 1 279.472 2.454 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188074 176061406 /nfs/dbraw/zinc/06/14/06/176061406.db2.gz DRDSOOVJWFFGEJ-ZENOOKHLSA-N 2 1 279.403 2.098 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188115 176062652 /nfs/dbraw/zinc/06/26/52/176062652.db2.gz QQXUANWICXTBTG-KBRIMQKVSA-N 2 1 293.430 2.488 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189040 176064413 /nfs/dbraw/zinc/06/44/13/176064413.db2.gz QWZBNEVUBYEZBI-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP C[N@@H+](CCNc1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071192411 176073084 /nfs/dbraw/zinc/07/30/84/176073084.db2.gz QMDJARJVNALDNZ-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192411 176073085 /nfs/dbraw/zinc/07/30/85/176073085.db2.gz QMDJARJVNALDNZ-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192411 176073086 /nfs/dbraw/zinc/07/30/86/176073086.db2.gz QMDJARJVNALDNZ-CYBMUJFWSA-N 2 1 265.376 2.121 10 0 CEAEMP CCC(C)(C)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192302 176073403 /nfs/dbraw/zinc/07/34/03/176073403.db2.gz LSKJNJQDNNYHMO-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263441 176096433 /nfs/dbraw/zinc/09/64/33/176096433.db2.gz OZSBSIYMIROJLL-HNNXBMFYSA-N 2 1 266.360 2.285 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@H+](CCCCCC[NH2+]C)C1 ZINC000071289984 176110557 /nfs/dbraw/zinc/11/05/57/176110557.db2.gz HPVIOXILLCYMIF-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCN(CC)[C@@H]1CC[N@@H+](CCCCCC[NH2+]C)C1 ZINC000071289984 176110559 /nfs/dbraw/zinc/11/05/59/176110559.db2.gz HPVIOXILLCYMIF-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP [NH3+][C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000071613647 176233361 /nfs/dbraw/zinc/23/33/61/176233361.db2.gz OLPLSJBZHSPNJI-DLBZAZTESA-N 2 1 273.424 2.074 10 0 CEAEMP CCC[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000134961084 280033695 /nfs/dbraw/zinc/03/36/95/280033695.db2.gz LESZEEYYOSRWGN-MRXNPFEDSA-N 2 1 297.487 2.488 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000068628653 520235905 /nfs/dbraw/zinc/23/59/05/520235905.db2.gz ZHWWQTVYXLZXTR-GDBMZVCRSA-N 2 1 285.476 2.233 10 0 CEAEMP CC[N@@H+](CCOC)Cc1occc1C[NH2+]C(C)C ZINC000052542664 521138805 /nfs/dbraw/zinc/13/88/05/521138805.db2.gz GRWFCVFOIZFJLJ-UHFFFAOYSA-N 2 1 254.374 2.246 10 0 CEAEMP CCCc1nc(N2CC[NH+](C)CC2)sc1C[NH2+]C(C)C ZINC000054995340 521532456 /nfs/dbraw/zinc/53/24/56/521532456.db2.gz SMUSYFDAKNJYER-UHFFFAOYSA-N 2 1 296.484 2.345 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](CCN(C)C)CC(C)C)cc1 ZINC000052503383 522117175 /nfs/dbraw/zinc/11/71/75/522117175.db2.gz XSJUTLQFYPIRGT-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP C[NH2+]Cc1ccc(CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000052503383 522117186 /nfs/dbraw/zinc/11/71/86/522117186.db2.gz XSJUTLQFYPIRGT-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529335 533844142 /nfs/dbraw/zinc/84/41/42/533844142.db2.gz RDIKHXLMCOGRBN-RDJZCZTQSA-N 2 1 275.440 2.096 10 0 CEAEMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529335 533844148 /nfs/dbraw/zinc/84/41/48/533844148.db2.gz RDIKHXLMCOGRBN-RDJZCZTQSA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529335 533844152 /nfs/dbraw/zinc/84/41/52/533844152.db2.gz RDIKHXLMCOGRBN-RDJZCZTQSA-N 3 1 275.440 2.096 10 0 CEAEMP C[C@H]([NH2+]CCCN(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529335 533844158 /nfs/dbraw/zinc/84/41/58/533844158.db2.gz RDIKHXLMCOGRBN-RDJZCZTQSA-N 2 1 275.440 2.096 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000049555570 519340513 /nfs/dbraw/zinc/34/05/13/519340513.db2.gz SICQDTUEZRVOPU-OAHLLOKOSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052883064 519615062 /nfs/dbraw/zinc/61/50/62/519615062.db2.gz RPWDEJDVRHFQRY-KRWDZBQOSA-N 2 1 291.439 2.097 10 0 CEAEMP CC(C)C[N@@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CC1 ZINC000052515775 519717330 /nfs/dbraw/zinc/71/73/30/519717330.db2.gz RRMSLJHENYVZMD-UHFFFAOYSA-N 2 1 293.459 2.287 10 0 CEAEMP CC(C)CN1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055077563 519727368 /nfs/dbraw/zinc/72/73/68/519727368.db2.gz CBBJEKZAXYQOER-HZPDHXFCSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](CC)CC(C)C)CCOCC1 ZINC000052181220 519912791 /nfs/dbraw/zinc/91/27/91/519912791.db2.gz GDHJDLWQGCAGFE-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[NH+]1CCN([C@H](C)CC)CC1 ZINC000055074327 519920303 /nfs/dbraw/zinc/92/03/03/519920303.db2.gz UVTPABQZARKEDQ-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CCC)C2CC2)O1 ZINC000052449227 519939231 /nfs/dbraw/zinc/93/92/31/519939231.db2.gz HBEPEUBKHQQUIT-HUUCEWRRSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CCOC)C1CC1 ZINC000052542405 519958567 /nfs/dbraw/zinc/95/85/67/519958567.db2.gz IXDZYXMTONEELK-UHFFFAOYSA-N 2 1 266.385 2.390 10 0 CEAEMP CC[NH2+]C[C@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000061266151 519962341 /nfs/dbraw/zinc/96/23/41/519962341.db2.gz JRXGILWVTZMZMO-AWEZNQCLSA-N 2 1 283.460 2.003 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543434 520013946 /nfs/dbraw/zinc/01/39/46/520013946.db2.gz DQXFSUQDFOOAKQ-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543434 520013953 /nfs/dbraw/zinc/01/39/53/520013953.db2.gz DQXFSUQDFOOAKQ-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000052570970 520030541 /nfs/dbraw/zinc/03/05/41/520030541.db2.gz RNHAPQBXOTYROK-OCCSQVGLSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000052570970 520030547 /nfs/dbraw/zinc/03/05/47/520030547.db2.gz RNHAPQBXOTYROK-OCCSQVGLSA-N 2 1 266.385 2.388 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637867 520041266 /nfs/dbraw/zinc/04/12/66/520041266.db2.gz RSVNYLXKPSASMJ-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637867 520041274 /nfs/dbraw/zinc/04/12/74/520041274.db2.gz RSVNYLXKPSASMJ-CJNGLKHVSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@@H](C)c1sc(N2CC[NH+](C3CC3)CC2)nc1C ZINC000054909490 520082640 /nfs/dbraw/zinc/08/26/40/520082640.db2.gz BBQSRIKQIYSDIZ-NSHDSACASA-N 2 1 294.468 2.406 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)Cc1cnn(C)c1 ZINC000053859427 520092296 /nfs/dbraw/zinc/09/22/96/520092296.db2.gz HPDFHUJBJGPGMG-HOTGVXAUSA-N 2 1 278.444 2.410 10 0 CEAEMP CCC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)Cc1cnn(C)c1 ZINC000053859427 520092303 /nfs/dbraw/zinc/09/23/03/520092303.db2.gz HPDFHUJBJGPGMG-HOTGVXAUSA-N 2 1 278.444 2.410 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000054554795 520120961 /nfs/dbraw/zinc/12/09/61/520120961.db2.gz NUUAFNNKODKQGB-ZACQAIPSSA-N 2 1 281.488 2.427 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C)c(C[NH3+])o2)C1 ZINC000052372227 520319080 /nfs/dbraw/zinc/31/90/80/520319080.db2.gz KCEMSHAUKXSCGV-GFCCVEGCSA-N 2 1 252.358 2.048 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)[NH2+]CC)CC1 ZINC000061272786 520396557 /nfs/dbraw/zinc/39/65/57/520396557.db2.gz BEXIUQKLOSEDNN-OAHLLOKOSA-N 2 1 297.487 2.345 10 0 CEAEMP CCCC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045421786 520509288 /nfs/dbraw/zinc/50/92/88/520509288.db2.gz IVSKZCWMIHNRBE-MRXNPFEDSA-N 2 1 283.460 2.273 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000062740934 520515813 /nfs/dbraw/zinc/51/58/13/520515813.db2.gz JXUSWHMVESWAPJ-INIZCTEOSA-N 2 1 264.413 2.435 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000062741202 520515847 /nfs/dbraw/zinc/51/58/47/520515847.db2.gz CCTZMCULWWBDKZ-LSDHHAIUSA-N 2 1 254.418 2.395 10 0 CEAEMP CCC[C@@]1(CN2CCC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000062943161 520958794 /nfs/dbraw/zinc/95/87/94/520958794.db2.gz SRKHFBSOZJIPPZ-IAGOWNOFSA-N 2 1 279.472 2.326 10 0 CEAEMP CCCc1[nH+]ccn1[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000068650306 521555173 /nfs/dbraw/zinc/55/51/73/521555173.db2.gz FOCCLJHQCAMLBH-IUODEOHRSA-N 2 1 280.416 2.029 10 0 CEAEMP CCN1CC[NH+](C[C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559454 521687378 /nfs/dbraw/zinc/68/73/78/521687378.db2.gz ZDLHGGDFHWONHB-OAGGEKHMSA-N 2 1 267.461 2.024 10 0 CEAEMP C[NH2+]C[C@@H](OCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000052673724 522036649 /nfs/dbraw/zinc/03/66/49/522036649.db2.gz QZDZXFNMBNIVLH-JKSUJKDBSA-N 2 1 262.397 2.448 10 0 CEAEMP C[NH2+]Cc1cccc(C[N@@H+](CCN(C)C)CC(C)C)c1 ZINC000052503306 522128818 /nfs/dbraw/zinc/12/88/18/522128818.db2.gz CXXVPWIMUTZIED-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP C[NH2+]Cc1cccc(CN(CC[NH+](C)C)CC(C)C)c1 ZINC000052503306 522128827 /nfs/dbraw/zinc/12/88/27/522128827.db2.gz CXXVPWIMUTZIED-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP C[NH2+][C@H](C)c1sc(N2CC[NH+](C3CC3)CC2)nc1C ZINC000054909488 522456057 /nfs/dbraw/zinc/45/60/57/522456057.db2.gz MDYNDLADUGRDQY-SNVBAGLBSA-N 2 1 280.441 2.016 10 0 CEAEMP CC[C@H]1CCCC[N@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052447637 523028349 /nfs/dbraw/zinc/02/83/49/523028349.db2.gz IVSGLUFHVJCTKG-HNNXBMFYSA-N 2 1 293.459 2.431 10 0 CEAEMP COCC[N@@H+](C)CCNc1cc[nH+]c2ccccc12 ZINC000061379525 523617237 /nfs/dbraw/zinc/61/72/37/523617237.db2.gz NCZRSRLEEPXPED-UHFFFAOYSA-N 2 1 259.353 2.225 10 0 CEAEMP C[N@H+]1CCCN(Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052424420 523809056 /nfs/dbraw/zinc/80/90/56/523809056.db2.gz ALIJKLQEFIIDQM-UHFFFAOYSA-N 2 1 279.428 2.305 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CCOCc1csc(C[NH2+]C2CC2)n1 ZINC000052672787 523824531 /nfs/dbraw/zinc/82/45/31/523824531.db2.gz IXDWIIRRWXWLRF-CQSZACIVSA-N 2 1 295.452 2.396 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)Cc1occc1C[NH2+]C ZINC000052547260 523938981 /nfs/dbraw/zinc/93/89/81/523938981.db2.gz SMVZHMMEWABTKT-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP C[C@H]1CCC[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125538 524177324 /nfs/dbraw/zinc/17/73/24/524177324.db2.gz JEGDVSPHMBXHHZ-YHUYYLMFSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OCCCO2 ZINC000070178832 524672673 /nfs/dbraw/zinc/67/26/73/524672673.db2.gz SHKQDBGSMTXJAL-UKRRQHHQSA-N 2 1 290.407 2.407 10 0 CEAEMP COc1ccc(OC)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070179109 524830555 /nfs/dbraw/zinc/83/05/55/524830555.db2.gz IASHOZYHSXZKAK-STQMWFEESA-N 2 1 278.396 2.263 10 0 CEAEMP COc1ccc(OC)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070179109 524830564 /nfs/dbraw/zinc/83/05/64/524830564.db2.gz IASHOZYHSXZKAK-STQMWFEESA-N 2 1 278.396 2.263 10 0 CEAEMP [NH3+]CC1(C[N@@H+](Cc2cccs2)C2CC2)CCOCC1 ZINC000052197929 527163919 /nfs/dbraw/zinc/16/39/19/527163919.db2.gz TYHFGSKKOKEYMT-UHFFFAOYSA-N 2 1 280.437 2.468 10 0 CEAEMP [NH3+]Cc1ncccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000061656608 527265288 /nfs/dbraw/zinc/26/52/88/527265288.db2.gz VEYUGZIEDRHDLU-INIZCTEOSA-N 2 1 268.364 2.272 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@H]12 ZINC000261582286 628941690 /nfs/dbraw/zinc/94/16/90/628941690.db2.gz RDELJZMNDFDFHX-DUFXMDAXSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]12 ZINC000261582286 628941692 /nfs/dbraw/zinc/94/16/92/628941692.db2.gz RDELJZMNDFDFHX-DUFXMDAXSA-N 2 1 252.308 2.134 10 0 CEAEMP OC[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261765415 629187008 /nfs/dbraw/zinc/18/70/08/629187008.db2.gz MUELBUYCAXBBJT-SJLPKXTDSA-N 2 1 288.435 2.012 10 0 CEAEMP C[C@]1(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000227141802 639573862 /nfs/dbraw/zinc/57/38/62/639573862.db2.gz HGALWXJVSFPCNF-KFWWJZLASA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@]1(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000227141802 639573864 /nfs/dbraw/zinc/57/38/64/639573864.db2.gz HGALWXJVSFPCNF-KFWWJZLASA-N 2 1 252.402 2.020 10 0 CEAEMP CC(C)CCN(C1CC1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000096889379 185124222 /nfs/dbraw/zinc/12/42/22/185124222.db2.gz IABAVGNKDHOCFA-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP Cc1ncccc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328645208 344757963 /nfs/dbraw/zinc/75/79/63/344757963.db2.gz SCRBGTAALXAKDK-CQSZACIVSA-N 2 1 270.380 2.281 10 0 CEAEMP Cc1ncccc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328645208 344757964 /nfs/dbraw/zinc/75/79/64/344757964.db2.gz SCRBGTAALXAKDK-CQSZACIVSA-N 2 1 270.380 2.281 10 0 CEAEMP Cn1c[nH+]cc1CC[NH2+]Cc1ccnc2ccccc12 ZINC000401800305 344869911 /nfs/dbraw/zinc/86/99/11/344869911.db2.gz MIMWRMQKRBKIRN-UHFFFAOYSA-N 2 1 266.348 2.301 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133847818 232214021 /nfs/dbraw/zinc/21/40/21/232214021.db2.gz UTOCBQHCPAXJMO-QZTJIDSGSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(C[N@H+]2CCC[C@@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133847818 232214028 /nfs/dbraw/zinc/21/40/28/232214028.db2.gz UTOCBQHCPAXJMO-QZTJIDSGSA-N 2 1 287.451 2.383 10 0 CEAEMP CC[NH2+][C@@H](CCc1[nH+]ccn1C)CC[C@@H](C)OC ZINC000097451882 185607912 /nfs/dbraw/zinc/60/79/12/185607912.db2.gz MGKGTYKWEXKJMD-CHWSQXEVSA-N 2 1 253.390 2.146 10 0 CEAEMP C[N@H+]1CCC[C@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606873 179100016 /nfs/dbraw/zinc/10/00/16/179100016.db2.gz BLEPIFPDBLKDDM-AWEZNQCLSA-N 2 1 288.439 2.453 10 0 CEAEMP C[C@@]1(C2CC2)C[N@H+](CCC(F)(F)F)CCC[NH2+]1 ZINC000085613066 179102739 /nfs/dbraw/zinc/10/27/39/179102739.db2.gz DVARRBACQKLAQK-NSHDSACASA-N 2 1 250.308 2.403 10 0 CEAEMP C[C@@]1(C2CC2)C[N@@H+](CCC(F)(F)F)CCC[NH2+]1 ZINC000085613066 179102741 /nfs/dbraw/zinc/10/27/41/179102741.db2.gz DVARRBACQKLAQK-NSHDSACASA-N 2 1 250.308 2.403 10 0 CEAEMP CCC1(CC)C[N@@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085617444 179104278 /nfs/dbraw/zinc/10/42/78/179104278.db2.gz RZWRPTWUQQXGLZ-UHFFFAOYSA-N 2 1 264.417 2.046 10 0 CEAEMP Cn1c2ccccc2[nH+]c1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129327768 365847880 /nfs/dbraw/zinc/84/78/80/365847880.db2.gz NFYXFTQUOPOWDT-HNNXBMFYSA-N 2 1 258.369 2.375 10 0 CEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085986003 179211699 /nfs/dbraw/zinc/21/16/99/179211699.db2.gz PJJHFVZIKHLDTE-KKUMJFAQSA-N 2 1 254.418 2.002 10 0 CEAEMP C[C@@H]1C[N@@H+](CCCC[NH+](C)C)[C@H](c2ccccc2)CN1 ZINC000086174281 179245639 /nfs/dbraw/zinc/24/56/39/179245639.db2.gz UYIQENLLVUPAOZ-WBVHZDCISA-N 2 1 275.440 2.363 10 0 CEAEMP C[C@@H]1CN(CCCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086174281 179245641 /nfs/dbraw/zinc/24/56/41/179245641.db2.gz UYIQENLLVUPAOZ-WBVHZDCISA-N 2 1 275.440 2.363 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145696 179239169 /nfs/dbraw/zinc/23/91/69/179239169.db2.gz OJXWZAMVKQJFNF-GOEBONIOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCN1 ZINC000086145696 179239171 /nfs/dbraw/zinc/23/91/71/179239171.db2.gz OJXWZAMVKQJFNF-GOEBONIOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086223050 179250701 /nfs/dbraw/zinc/25/07/01/179250701.db2.gz ZGZJMZZFXPGLFE-SOUVJXGZSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223148 179251657 /nfs/dbraw/zinc/25/16/57/179251657.db2.gz NBFPUDZFMMRNHI-NUJGCVRESA-N 2 1 287.451 2.147 10 0 CEAEMP C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223986 179253727 /nfs/dbraw/zinc/25/37/27/179253727.db2.gz MGPTTXKCUUSMIR-NXHRZFHOSA-N 2 1 287.451 2.290 10 0 CEAEMP CC[C@@H]1CN[C@@H](C2CC2)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086259159 179257881 /nfs/dbraw/zinc/25/78/81/179257881.db2.gz FJDUOXKXZZCJMJ-IAGOWNOFSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CC1CC[NH+](CC)CC1 ZINC000086259159 179257883 /nfs/dbraw/zinc/25/78/83/179257883.db2.gz FJDUOXKXZZCJMJ-IAGOWNOFSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291436 179265217 /nfs/dbraw/zinc/26/52/17/179265217.db2.gz QSLSKMQMGJRCST-HOCLYGCPSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291436 179265220 /nfs/dbraw/zinc/26/52/20/179265220.db2.gz QSLSKMQMGJRCST-HOCLYGCPSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)(C)[C@H]1C[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288188 179264457 /nfs/dbraw/zinc/26/44/57/179264457.db2.gz XNSRYPMAXQESFA-OAHLLOKOSA-N 2 1 261.413 2.334 10 0 CEAEMP C1CCC2(C1)CN([C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC[NH2+]2 ZINC000086290609 179265243 /nfs/dbraw/zinc/26/52/43/179265243.db2.gz HIYMAXAGUJWZLT-JKSUJKDBSA-N 2 1 277.456 2.221 10 0 CEAEMP CC(C)(C)[C@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288739 179264821 /nfs/dbraw/zinc/26/48/21/179264821.db2.gz FPJLJEDRFVPGJN-OAHLLOKOSA-N 2 1 261.413 2.334 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259205 179257548 /nfs/dbraw/zinc/25/75/48/179257548.db2.gz ZFLSCRZRLAVYLQ-BPQIPLTHSA-N 2 1 293.499 2.427 10 0 CEAEMP CO[C@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293535 179267700 /nfs/dbraw/zinc/26/77/00/179267700.db2.gz GDVFXJXNYGERHL-KBPBESRZSA-N 2 1 252.402 2.162 10 0 CEAEMP CO[C@H]1CCC[C@H]1[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086293548 179267999 /nfs/dbraw/zinc/26/79/99/179267999.db2.gz DGYFHYMJVYPKDD-ILXRZTDVSA-N 2 1 252.402 2.018 10 0 CEAEMP C[C@@H](CNC1=[NH+]C[C@@H](C)CS1)[NH+]1CCCCC1 ZINC000086633179 179314924 /nfs/dbraw/zinc/31/49/24/179314924.db2.gz MQTVXRKQYOXNHN-NEPJUHHUSA-N 2 1 255.431 2.189 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086817226 179345059 /nfs/dbraw/zinc/34/50/59/179345059.db2.gz GRZHGVURSRMQLL-CQSZACIVSA-N 2 1 276.380 2.032 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccc(F)cc2)CC1 ZINC000086847491 179356220 /nfs/dbraw/zinc/35/62/20/179356220.db2.gz GILHYDXWNULOHQ-QGZVFWFLSA-N 2 1 293.430 2.461 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847731 179356518 /nfs/dbraw/zinc/35/65/18/179356518.db2.gz QRKRPUPEQPXNHD-IRXDYDNUSA-N 2 1 297.487 2.079 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848735 179356640 /nfs/dbraw/zinc/35/66/40/179356640.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848735 179356642 /nfs/dbraw/zinc/35/66/42/179356642.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)CC2CCCC2)CC1 ZINC000086848735 179356643 /nfs/dbraw/zinc/35/66/43/179356643.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)CC2CCCC2)CC1 ZINC000086848735 179356646 /nfs/dbraw/zinc/35/66/46/179356646.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)CC2CCCC2)CC1 ZINC000086848735 179356647 /nfs/dbraw/zinc/35/66/47/179356647.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 2 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848374 179357317 /nfs/dbraw/zinc/35/73/17/179357317.db2.gz VQGKUKRLGZDIHQ-INIZCTEOSA-N 2 1 279.403 2.465 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842365 179352760 /nfs/dbraw/zinc/35/27/60/179352760.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@@H](NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000086842365 179352761 /nfs/dbraw/zinc/35/27/61/179352761.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@@H](NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000086842365 179352763 /nfs/dbraw/zinc/35/27/63/179352763.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842365 179352764 /nfs/dbraw/zinc/35/27/64/179352764.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842365 179352766 /nfs/dbraw/zinc/35/27/66/179352766.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000086842365 179352769 /nfs/dbraw/zinc/35/27/69/179352769.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000086842365 179352771 /nfs/dbraw/zinc/35/27/71/179352771.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840961 179353698 /nfs/dbraw/zinc/35/36/98/179353698.db2.gz JHQMJMUISODJRD-MRXNPFEDSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2)CC1 ZINC000086846217 179355609 /nfs/dbraw/zinc/35/56/09/179355609.db2.gz WXOPVYAWSFCMMY-INIZCTEOSA-N 2 1 261.413 2.326 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846733 179355688 /nfs/dbraw/zinc/35/56/88/179355688.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846733 179355689 /nfs/dbraw/zinc/35/56/89/179355689.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846733 179355690 /nfs/dbraw/zinc/35/56/90/179355690.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846733 179355691 /nfs/dbraw/zinc/35/56/91/179355691.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846733 179355692 /nfs/dbraw/zinc/35/56/92/179355692.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846121 179355712 /nfs/dbraw/zinc/35/57/12/179355712.db2.gz MHOWVAIDGOGZQX-MRXNPFEDSA-N 2 1 267.461 2.310 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867913 179360977 /nfs/dbraw/zinc/36/09/77/179360977.db2.gz VTDREBWYDIBKKE-MRXNPFEDSA-N 2 1 262.397 2.013 10 0 CEAEMP CC[N@H+]1CCC[C@@](CO)([NH2+]Cc2ccccc2)CC1 ZINC000086867913 179360980 /nfs/dbraw/zinc/36/09/80/179360980.db2.gz VTDREBWYDIBKKE-MRXNPFEDSA-N 2 1 262.397 2.013 10 0 CEAEMP Cc1ccc(C[N@@H+](C)[C@]2(C[NH3+])CCCOCC2)cc1 ZINC000086874864 179364998 /nfs/dbraw/zinc/36/49/98/179364998.db2.gz PAWOOMIGWHMPOL-MRXNPFEDSA-N 2 1 262.397 2.325 10 0 CEAEMP Cc1ccc(C[N@H+](C)[C@]2(C[NH3+])CCCOCC2)cc1 ZINC000086874864 179365000 /nfs/dbraw/zinc/36/50/00/179365000.db2.gz PAWOOMIGWHMPOL-MRXNPFEDSA-N 2 1 262.397 2.325 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N2CCCC(C)(C)C2)CC1 ZINC000086848886 179357974 /nfs/dbraw/zinc/35/79/74/179357974.db2.gz IGHBEORIHQRFML-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC(C)[C@H]1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950409 179369107 /nfs/dbraw/zinc/36/91/07/179369107.db2.gz DMDVTWTUACRDFH-DLBZAZTESA-N 2 1 281.488 2.428 10 0 CEAEMP CCC[NH2+][C@@H](CCCOC)Cc1cc[nH+]c(N)c1 ZINC000086970758 179370599 /nfs/dbraw/zinc/37/05/99/179370599.db2.gz SGJHWAHEJGDAFS-ZDUSSCGKSA-N 2 1 251.374 2.001 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016108 179380053 /nfs/dbraw/zinc/38/00/53/179380053.db2.gz CAMQJCJGAAOMAN-AWEZNQCLSA-N 2 1 254.418 2.146 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016110 179380129 /nfs/dbraw/zinc/38/01/29/179380129.db2.gz CAMQJCJGAAOMAN-CQSZACIVSA-N 2 1 254.418 2.146 10 0 CEAEMP CCCSC[C@H](Cc1c[nH+]ccc1N)[NH2+]CC ZINC000087107756 179395467 /nfs/dbraw/zinc/39/54/67/179395467.db2.gz GFTMJFWOYORPGZ-LBPRGKRZSA-N 2 1 253.415 2.328 10 0 CEAEMP C[C@H]1CC[C@H](C)[N@@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000088711511 179655201 /nfs/dbraw/zinc/65/52/01/179655201.db2.gz AJKFACSRPCLAPX-KBPBESRZSA-N 2 1 293.459 2.287 10 0 CEAEMP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400321129 233176738 /nfs/dbraw/zinc/17/67/38/233176738.db2.gz BVJDZWLWTFYRHZ-YCPHGPKFSA-N 2 1 262.397 2.322 10 0 CEAEMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369574 233177208 /nfs/dbraw/zinc/17/72/08/233177208.db2.gz TUTXEYQYSFFBPX-RYQLBKOJSA-N 2 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369574 233177214 /nfs/dbraw/zinc/17/72/14/233177214.db2.gz TUTXEYQYSFFBPX-RYQLBKOJSA-N 3 1 287.451 2.096 10 0 CEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369574 233177216 /nfs/dbraw/zinc/17/72/16/233177216.db2.gz TUTXEYQYSFFBPX-RYQLBKOJSA-N 3 1 287.451 2.096 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](CC(C)C)C(C)C ZINC000090566552 180006362 /nfs/dbraw/zinc/00/63/62/180006362.db2.gz DVTZMSGUCOIBGH-LSDHHAIUSA-N 2 1 256.434 2.367 10 0 CEAEMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694631 180025950 /nfs/dbraw/zinc/02/59/50/180025950.db2.gz BXTVWJXQHWTYIB-XJKSGUPXSA-N 2 1 295.471 2.144 10 0 CEAEMP CC[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@](C)(CC)C[NH3+] ZINC000090874045 180049852 /nfs/dbraw/zinc/04/98/52/180049852.db2.gz IHGLCDUVLGTFQF-HOCLYGCPSA-N 2 1 262.397 2.439 10 0 CEAEMP CC[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@](C)(CC)C[NH3+] ZINC000090874045 180049855 /nfs/dbraw/zinc/04/98/55/180049855.db2.gz IHGLCDUVLGTFQF-HOCLYGCPSA-N 2 1 262.397 2.439 10 0 CEAEMP CC(C)[N@H+]1CCO[C@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000091001574 180083219 /nfs/dbraw/zinc/08/32/19/180083219.db2.gz ARMMAIJILTXWPG-INIZCTEOSA-N 2 1 293.455 2.485 10 0 CEAEMP c1[nH]c2ncccc2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000091017016 180086787 /nfs/dbraw/zinc/08/67/87/180086787.db2.gz FCHSKCOSKKLJKG-GFCCVEGCSA-N 2 1 270.380 2.137 10 0 CEAEMP CC[NH2+]Cc1cn(CCn2cc[nH+]c2C)c2ncccc12 ZINC000091020110 180088133 /nfs/dbraw/zinc/08/81/33/180088133.db2.gz HVNJDKRTTSFTRQ-UHFFFAOYSA-N 2 1 283.379 2.351 10 0 CEAEMP CCC[C@@H](C[NH3+])[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669376913 539758003 /nfs/dbraw/zinc/75/80/03/539758003.db2.gz BACVTAJZFUQJBN-IRXDYDNUSA-N 2 1 276.424 2.389 10 0 CEAEMP CCCNC(=O)C[C@H](C[NH3+])[NH+]1CCC(CC)(CC)CC1 ZINC000091317562 180133673 /nfs/dbraw/zinc/13/36/73/180133673.db2.gz WHCLOAAAJDFRQA-CQSZACIVSA-N 2 1 283.460 2.132 10 0 CEAEMP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091430840 180153774 /nfs/dbraw/zinc/15/37/74/180153774.db2.gz UINPLEOOCNNMGH-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP C[N@@H+](CC1CC(O)C1)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000091489781 180168731 /nfs/dbraw/zinc/16/87/31/180168731.db2.gz RIPMTDSZYHTXTE-ABSNHQIMSA-N 2 1 282.472 2.479 10 0 CEAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)CC1CC(O)C1 ZINC000091489577 180169082 /nfs/dbraw/zinc/16/90/82/180169082.db2.gz HEXGHZMQZLLUCM-UHFFFAOYSA-N 2 1 256.434 2.105 10 0 CEAEMP C[N@@H+](CC1CC(O)C1)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000091489780 180169323 /nfs/dbraw/zinc/16/93/23/180169323.db2.gz RIPMTDSZYHTXTE-BJWPUDQFSA-N 2 1 282.472 2.479 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCCO)C(C)C ZINC000091404449 180147486 /nfs/dbraw/zinc/14/74/86/180147486.db2.gz JBRGBKDXEUXVNL-AWEZNQCLSA-N 2 1 258.450 2.494 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000091404612 180147631 /nfs/dbraw/zinc/14/76/31/180147631.db2.gz VCGRTEZFQDQUAK-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(CC)c1)[C@](C)(CC)[NH+](C)C ZINC000091571192 180195452 /nfs/dbraw/zinc/19/54/52/180195452.db2.gz CICUMPHFJDBARQ-CABCVRRESA-N 2 1 266.433 2.154 10 0 CEAEMP CC[C@@](C)([C@@H](Cc1ccn(C(C)C)n1)[NH2+]C)[NH+](C)C ZINC000091570792 180195675 /nfs/dbraw/zinc/19/56/75/180195675.db2.gz CEUVTGNZCHGPPS-CABCVRRESA-N 2 1 266.433 2.325 10 0 CEAEMP CC1CCC([C@@H](O)c2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648666 180216584 /nfs/dbraw/zinc/21/65/84/180216584.db2.gz BYLVXPAHCZBASL-WPBUFGDCSA-N 2 1 263.385 2.208 10 0 CEAEMP CCC1CCC([C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720787 180234995 /nfs/dbraw/zinc/23/49/95/180234995.db2.gz XCGRWYYOCQWLMO-PEHJNBARSA-N 2 1 266.429 2.393 10 0 CEAEMP CC1CCC([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720769 180235389 /nfs/dbraw/zinc/23/53/89/180235389.db2.gz VABSKJUTVJNLQA-IFOPZJACSA-N 2 1 252.402 2.003 10 0 CEAEMP Cc1ccc(C[C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720551 180236839 /nfs/dbraw/zinc/23/68/39/180236839.db2.gz PEILIJWRDLGPCX-IXDOHACOSA-N 2 1 274.408 2.036 10 0 CEAEMP [NH3+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720714 180237130 /nfs/dbraw/zinc/23/71/30/180237130.db2.gz ABOJJBXGTZELKL-YUELXQCFSA-N 2 1 298.789 2.212 10 0 CEAEMP C[NH2+][C@H](C1CCCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721155 180238701 /nfs/dbraw/zinc/23/87/01/180238701.db2.gz OQPUYDRUVXFLHJ-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP C[NH2+][C@H](C1CCCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721155 180238704 /nfs/dbraw/zinc/23/87/04/180238704.db2.gz OQPUYDRUVXFLHJ-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCCCC[C@@H]1O ZINC000091850737 180272326 /nfs/dbraw/zinc/27/23/26/180272326.db2.gz XIUXNPXDBMXNEF-CVSAEHQPSA-N 2 1 254.418 2.272 10 0 CEAEMP CC[N@@H+](CC(=O)Nc1ccccc1)C1CCC([NH3+])CC1 ZINC000091850760 180272339 /nfs/dbraw/zinc/27/23/39/180272339.db2.gz NRHSDKSEUIXRKT-UHFFFAOYSA-N 2 1 275.396 2.217 10 0 CEAEMP CCC[N@@H+](C[C@H](C)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852400 180272631 /nfs/dbraw/zinc/27/26/31/180272631.db2.gz DASXJJCJZZAXNH-HSBZDZAISA-N 2 1 270.417 2.168 10 0 CEAEMP CCC[N@@H+](CC(=O)N1CCC(C)CC1)C1CCC([NH3+])CC1 ZINC000091852273 180273106 /nfs/dbraw/zinc/27/31/06/180273106.db2.gz GJSDLTDFXKUMSI-UHFFFAOYSA-N 2 1 295.471 2.227 10 0 CEAEMP C[N@@H+](Cc1c[nH]c2ncccc12)C1CCC([NH3+])CC1 ZINC000091844725 180269415 /nfs/dbraw/zinc/26/94/15/180269415.db2.gz YTLDEEWLCWOLKG-UHFFFAOYSA-N 2 1 258.369 2.265 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000091849707 180271131 /nfs/dbraw/zinc/27/11/31/180271131.db2.gz CEYQEBPFBSZUCS-OZEOOWDWSA-N 2 1 265.445 2.203 10 0 CEAEMP CC[N@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000091849707 180271133 /nfs/dbraw/zinc/27/11/33/180271133.db2.gz CEYQEBPFBSZUCS-OZEOOWDWSA-N 3 1 265.445 2.203 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000091849707 180271135 /nfs/dbraw/zinc/27/11/35/180271135.db2.gz CEYQEBPFBSZUCS-OZEOOWDWSA-N 3 1 265.445 2.203 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000091849707 180271136 /nfs/dbraw/zinc/27/11/36/180271136.db2.gz CEYQEBPFBSZUCS-OZEOOWDWSA-N 3 1 265.445 2.203 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000091849707 180271139 /nfs/dbraw/zinc/27/11/39/180271139.db2.gz CEYQEBPFBSZUCS-OZEOOWDWSA-N 3 1 265.445 2.203 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCCCC[C@@H]2O)CC1 ZINC000091870511 180277151 /nfs/dbraw/zinc/27/71/51/180277151.db2.gz DXVAHWFBOJTRRM-WUCCLRPBSA-N 2 1 254.418 2.142 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000091870677 180277445 /nfs/dbraw/zinc/27/74/45/180277445.db2.gz FSJWGNTYBLMJCG-UYSNPLJNSA-N 2 1 262.397 2.182 10 0 CEAEMP CCN(CC)C(=O)CCC[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091872787 180278238 /nfs/dbraw/zinc/27/82/38/180278238.db2.gz JNRUNIOLYUISFW-UHFFFAOYSA-N 2 1 283.460 2.097 10 0 CEAEMP C[C@@H]([NH3+])c1ccc(SC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092080064 180318733 /nfs/dbraw/zinc/31/87/33/180318733.db2.gz DDANUUBTIGBWFN-DGCLKSJQSA-N 2 1 266.410 2.129 10 0 CEAEMP C[C@@H]([NH3+])c1ccc(SC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080064 180318734 /nfs/dbraw/zinc/31/87/34/180318734.db2.gz DDANUUBTIGBWFN-DGCLKSJQSA-N 2 1 266.410 2.129 10 0 CEAEMP C[NH2+][C@@H](C)c1ccc(SC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092080069 180318967 /nfs/dbraw/zinc/31/89/67/180318967.db2.gz JBGUXCZPGXZDPQ-GXTWGEPZSA-N 2 1 280.437 2.390 10 0 CEAEMP C[NH2+][C@@H](C)c1ccc(SC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092080069 180318970 /nfs/dbraw/zinc/31/89/70/180318970.db2.gz JBGUXCZPGXZDPQ-GXTWGEPZSA-N 2 1 280.437 2.390 10 0 CEAEMP CC(C)[NH2+]C[C@@]1(C[N@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088486 180321003 /nfs/dbraw/zinc/32/10/03/180321003.db2.gz BJSMEKCWCJBVEQ-OWCLPIDISA-N 2 1 268.445 2.369 10 0 CEAEMP C[N@@H+](C[C@H]1COc2ccccc21)C1CCC([NH3+])CC1 ZINC000092298088 180358521 /nfs/dbraw/zinc/35/85/21/180358521.db2.gz QGJQLHQIVYLVPX-HSBZDZAISA-N 2 1 260.381 2.364 10 0 CEAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302667 180359617 /nfs/dbraw/zinc/35/96/17/180359617.db2.gz WSHKLUWICLXPPS-UONOGXRCSA-N 2 1 260.381 2.094 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(OC)cc1 ZINC000105935699 186094152 /nfs/dbraw/zinc/09/41/52/186094152.db2.gz YKDOOEUPNZBDRN-OAHLLOKOSA-N 2 1 262.397 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(OC)cc1 ZINC000105935699 186094153 /nfs/dbraw/zinc/09/41/53/186094153.db2.gz YKDOOEUPNZBDRN-OAHLLOKOSA-N 2 1 262.397 2.312 10 0 CEAEMP CC(C)[C@H]1CSC(NC[C@@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000092402489 180377875 /nfs/dbraw/zinc/37/78/75/180377875.db2.gz QHKRWPHJUSYDQY-NWDGAFQWSA-N 2 1 255.431 2.188 10 0 CEAEMP C[N@@H+](Cc1cc(Cl)ccn1)C1CCC([NH3+])CC1 ZINC000092417410 180381098 /nfs/dbraw/zinc/38/10/98/180381098.db2.gz NINJBNIHIYKWFN-UHFFFAOYSA-N 2 1 253.777 2.437 10 0 CEAEMP CC[C@@H](C)[N@H+](CCOC)Cc1cc(NC)cc[nH+]1 ZINC000092418757 180381240 /nfs/dbraw/zinc/38/12/40/180381240.db2.gz STRHBFYZCKKSQN-GFCCVEGCSA-N 2 1 251.374 2.370 10 0 CEAEMP CC[C@@H](C)[N@@H+](CCOC)Cc1cc(NC)cc[nH+]1 ZINC000092418757 180381241 /nfs/dbraw/zinc/38/12/41/180381241.db2.gz STRHBFYZCKKSQN-GFCCVEGCSA-N 2 1 251.374 2.370 10 0 CEAEMP CCCNc1cc[nH+]c(C[N@@H+]2CC[C@@H](COC)C2)c1 ZINC000092419354 180381982 /nfs/dbraw/zinc/38/19/82/180381982.db2.gz RSRUQFDNTUEPTA-CYBMUJFWSA-N 2 1 263.385 2.372 10 0 CEAEMP CCCNc1cc[nH+]c(C[N@H+]2CC[C@@H](COC)C2)c1 ZINC000092419354 180381983 /nfs/dbraw/zinc/38/19/83/180381983.db2.gz RSRUQFDNTUEPTA-CYBMUJFWSA-N 2 1 263.385 2.372 10 0 CEAEMP Cc1cccc(C[N@@H+](C)Cc2ccc(C[NH3+])cc2)n1 ZINC000092427869 180383430 /nfs/dbraw/zinc/38/34/30/180383430.db2.gz UFTARWKCFPCSKN-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP Cc1cccc(C[N@H+](C)Cc2cccc(C(N)=[NH2+])c2)n1 ZINC000092429761 180384217 /nfs/dbraw/zinc/38/42/17/180384217.db2.gz GRXULDGXPPJVQR-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP Cc1cccc(C[N@@H+](C)Cc2cccc(C(N)=[NH2+])c2)n1 ZINC000092429761 180384219 /nfs/dbraw/zinc/38/42/19/180384219.db2.gz GRXULDGXPPJVQR-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000109603757 186267503 /nfs/dbraw/zinc/26/75/03/186267503.db2.gz XGBGGPIXQLEHSN-ZDUSSCGKSA-N 2 1 294.370 2.060 10 0 CEAEMP C[NH+](C)Cc1ccccc1C[NH2+]Cc1nccs1 ZINC000110908109 186331181 /nfs/dbraw/zinc/33/11/81/186331181.db2.gz OKUXEROKSLUSOX-UHFFFAOYSA-N 2 1 261.394 2.495 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705198 186313784 /nfs/dbraw/zinc/31/37/84/186313784.db2.gz YQDXANILDQAXLV-WFASDCNBSA-N 2 1 279.403 2.240 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1cccs1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705139 186314158 /nfs/dbraw/zinc/31/41/58/186314158.db2.gz DIYIAOHSPUBUSE-DGCLKSJQSA-N 2 1 267.442 2.162 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704880 186314290 /nfs/dbraw/zinc/31/42/90/186314290.db2.gz HEQGVQNTZNOXFU-ZFWWWQNUSA-N 2 1 261.413 2.101 10 0 CEAEMP Cc1ccc(C)c([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110711439 186316111 /nfs/dbraw/zinc/31/61/11/186316111.db2.gz WCESVDOIHQBCRX-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP C[NH2+][C@@H](CN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)cc1 ZINC000110717131 186316200 /nfs/dbraw/zinc/31/62/00/186316200.db2.gz OPUWLMVDQPJKGI-INIZCTEOSA-N 2 1 275.440 2.282 10 0 CEAEMP CCc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110712160 186316325 /nfs/dbraw/zinc/31/63/25/186316325.db2.gz ZLSVEINZCXKXMK-INIZCTEOSA-N 2 1 275.440 2.275 10 0 CEAEMP CSc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110712136 186316625 /nfs/dbraw/zinc/31/66/25/186316625.db2.gz XSIUFMONDQPZSI-HNNXBMFYSA-N 2 1 293.480 2.434 10 0 CEAEMP CC[C@@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@H+]1C ZINC000110715383 186316732 /nfs/dbraw/zinc/31/67/32/186316732.db2.gz YITXQXJMEQOPDG-NXHRZFHOSA-N 2 1 287.451 2.417 10 0 CEAEMP CC[N@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000110741280 186318476 /nfs/dbraw/zinc/31/84/76/186318476.db2.gz LVCLFGRDKPWRJL-HOCLYGCPSA-N 2 1 289.423 2.019 10 0 CEAEMP CC[C@@H]1CN(C[C@@](C)(C[NH2+]C)c2ccccc2)CC[N@H+]1C ZINC000110746450 186318517 /nfs/dbraw/zinc/31/85/17/186318517.db2.gz HYBJXWSHWVGYRR-QZTJIDSGSA-N 2 1 289.467 2.190 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@H](C)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000110744837 186318622 /nfs/dbraw/zinc/31/86/22/186318622.db2.gz ABGOXFZKUJUKPX-VYDXJSESSA-N 2 1 275.440 2.219 10 0 CEAEMP CC[C@@H]1CN(CC(C)(C)C[NH2+]CC(C)C)CC[N@H+]1C ZINC000110746642 186319414 /nfs/dbraw/zinc/31/94/14/186319414.db2.gz UBCAPFXQLSQEDP-OAHLLOKOSA-N 2 1 269.477 2.284 10 0 CEAEMP CC[C@H]1CN(CC[NH2+]Cc2sccc2C)CC[N@H+]1C ZINC000110757493 186320619 /nfs/dbraw/zinc/32/06/19/186320619.db2.gz NRSKOZSNSPITMF-AWEZNQCLSA-N 2 1 281.469 2.172 10 0 CEAEMP CCC(CC)[NH2+]C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757928 186320986 /nfs/dbraw/zinc/32/09/86/186320986.db2.gz GNRZWSKIKBLLRH-ZDUSSCGKSA-N 2 1 255.450 2.179 10 0 CEAEMP C[NH2+]C[C@](C)(CN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110747205 186321341 /nfs/dbraw/zinc/32/13/41/186321341.db2.gz SXKXHDFISKMARY-GOSISDBHSA-N 2 1 289.467 2.190 10 0 CEAEMP CCC[C@@]1(C[N@@H+](C)C[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000111179202 186366332 /nfs/dbraw/zinc/36/63/32/186366332.db2.gz BNTLNGDSFCQZEX-LSDHHAIUSA-N 2 1 254.418 2.125 10 0 CEAEMP CC(C)C[NH2+]C[C@]1(C[N@@H+](C)C2CC2)CCCOC1 ZINC000111324703 186398221 /nfs/dbraw/zinc/39/82/21/186398221.db2.gz KVQUUSPWSNBNFQ-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC(C)[NH2+]C[C@]1(C[N@@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326443 186398806 /nfs/dbraw/zinc/39/88/06/186398806.db2.gz ZYAGXVILLGYHCL-IRXDYDNUSA-N 2 1 298.471 2.282 10 0 CEAEMP CO[C@H]1C[N@@H+](CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630359947 351710612 /nfs/dbraw/zinc/71/06/12/351710612.db2.gz NVZOZTPOCDHLIC-CABCVRRESA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366356 351714815 /nfs/dbraw/zinc/71/48/15/351714815.db2.gz KDYQCZLXKWLDSW-WZRBSPASSA-N 2 1 264.360 2.106 10 0 CEAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366356 351714817 /nfs/dbraw/zinc/71/48/17/351714817.db2.gz KDYQCZLXKWLDSW-WZRBSPASSA-N 2 1 264.360 2.106 10 0 CEAEMP CN(C)C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093210230 539845266 /nfs/dbraw/zinc/84/52/66/539845266.db2.gz MDNJWIBKNIPSJV-JYJNAYRXSA-N 2 1 261.413 2.149 10 0 CEAEMP CCC[N@H+](CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224707768 283173666 /nfs/dbraw/zinc/17/36/66/283173666.db2.gz YEIWAECNNRKZTH-MJBXVCDLSA-N 2 1 254.418 2.121 10 0 CEAEMP CCC[N@@H+](CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224707768 283173667 /nfs/dbraw/zinc/17/36/67/283173667.db2.gz YEIWAECNNRKZTH-MJBXVCDLSA-N 2 1 254.418 2.121 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000177766299 189068150 /nfs/dbraw/zinc/06/81/50/189068150.db2.gz ZBXICFJPSPXFEN-OAHLLOKOSA-N 2 1 289.423 2.377 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1C ZINC000177766299 189068151 /nfs/dbraw/zinc/06/81/51/189068151.db2.gz ZBXICFJPSPXFEN-OAHLLOKOSA-N 2 1 289.423 2.377 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000178305015 189105055 /nfs/dbraw/zinc/10/50/55/189105055.db2.gz LNVHDPCYTDBQTQ-INIZCTEOSA-N 2 1 298.390 2.295 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000178305015 189105056 /nfs/dbraw/zinc/10/50/56/189105056.db2.gz LNVHDPCYTDBQTQ-INIZCTEOSA-N 2 1 298.390 2.295 10 0 CEAEMP Cc1[nH+]c2ccccc2c(NC[C@@H]2C[NH+]3CCN2CC3)c1C ZINC000302098759 201341549 /nfs/dbraw/zinc/34/15/49/201341549.db2.gz UDQHZHRNPWVZCM-OAHLLOKOSA-N 2 1 296.418 2.263 10 0 CEAEMP CC[NH2+][C@@H](CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091394 364338097 /nfs/dbraw/zinc/33/80/97/364338097.db2.gz BEJKLPBYVVOBGV-IRXDYDNUSA-N 2 1 276.424 2.259 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccnc(C)c1 ZINC000120181845 365386099 /nfs/dbraw/zinc/38/60/99/365386099.db2.gz HALWSPCHPQLCIF-AWEZNQCLSA-N 2 1 276.384 2.338 10 0 CEAEMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842900 367584548 /nfs/dbraw/zinc/58/45/48/367584548.db2.gz HEUCPXNIENTIGG-CABCVRRESA-N 2 1 262.397 2.209 10 0 CEAEMP C[C@H]1C[N@H+](Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000631844583 367584950 /nfs/dbraw/zinc/58/49/50/367584950.db2.gz YKQVHQXFJLIPCL-JQWIXIFHSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000631844583 367584954 /nfs/dbraw/zinc/58/49/54/367584954.db2.gz YKQVHQXFJLIPCL-JQWIXIFHSA-N 2 1 283.213 2.476 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1C[NH3+] ZINC000634999024 369031728 /nfs/dbraw/zinc/03/17/28/369031728.db2.gz OZDFCFMVIMNFBE-SWLSCSKDSA-N 2 1 274.408 2.427 10 0 CEAEMP COc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1OC ZINC000231464113 370480272 /nfs/dbraw/zinc/48/02/72/370480272.db2.gz DDGKDWHZGFASOV-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP COc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1OC ZINC000231464113 370480275 /nfs/dbraw/zinc/48/02/75/370480275.db2.gz DDGKDWHZGFASOV-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP OC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000257183838 371604708 /nfs/dbraw/zinc/60/47/08/371604708.db2.gz SJXXRRJFVYVZSF-CQSZACIVSA-N 2 1 294.826 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@@H]12 ZINC000261556090 371645993 /nfs/dbraw/zinc/64/59/93/371645993.db2.gz BWFDJPDDIKCOQM-GAJTVXKRSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]12 ZINC000261556090 371646000 /nfs/dbraw/zinc/64/60/00/371646000.db2.gz BWFDJPDDIKCOQM-GAJTVXKRSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]12 ZINC000261721538 371710820 /nfs/dbraw/zinc/71/08/20/371710820.db2.gz KFYMQUMKPGFUSL-CWRNSKLLSA-N 2 1 267.376 2.404 10 0 CEAEMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261790675 371734362 /nfs/dbraw/zinc/73/43/62/371734362.db2.gz XRYKCXUINUDMQV-IAOVAPTHSA-N 2 1 290.407 2.133 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261927637 371773421 /nfs/dbraw/zinc/77/34/21/371773421.db2.gz LDPWMPKMQJUANO-XIRDDKMYSA-N 2 1 296.418 2.350 10 0 CEAEMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261927637 371773424 /nfs/dbraw/zinc/77/34/24/371773424.db2.gz LDPWMPKMQJUANO-XIRDDKMYSA-N 2 1 296.418 2.350 10 0 CEAEMP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643454024 373126127 /nfs/dbraw/zinc/12/61/27/373126127.db2.gz BBKPMNRGVDEUBE-GBIKHYSHSA-N 2 1 251.374 2.330 10 0 CEAEMP CC(C)Oc1ncccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643471818 373141425 /nfs/dbraw/zinc/14/14/25/373141425.db2.gz DMWLRJRWBPPPBX-KGLIPLIRSA-N 2 1 277.412 2.347 10 0 CEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1C[NH2+]C1 ZINC000643480613 373149150 /nfs/dbraw/zinc/14/91/50/373149150.db2.gz GPQVXKXYHCEWMV-RGIVZKHGSA-N 2 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1C[NH2+]C1 ZINC000643480613 373149160 /nfs/dbraw/zinc/14/91/60/373149160.db2.gz GPQVXKXYHCEWMV-RGIVZKHGSA-N 3 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1C[NH2+]C1 ZINC000643480613 373149172 /nfs/dbraw/zinc/14/91/72/373149172.db2.gz GPQVXKXYHCEWMV-RGIVZKHGSA-N 3 1 299.462 2.095 10 0 CEAEMP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000377111043 374792283 /nfs/dbraw/zinc/79/22/83/374792283.db2.gz GLYMCFHUNBOISW-DGRATXKMSA-N 2 1 266.429 2.405 10 0 CEAEMP C[C@H](c1ccc(F)cn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385517024 375234499 /nfs/dbraw/zinc/23/44/99/375234499.db2.gz ONBWDPXCSVVLHE-JTNHKYCSSA-N 2 1 251.349 2.198 10 0 CEAEMP C[C@H](c1ccc(F)cn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385517024 375234508 /nfs/dbraw/zinc/23/45/08/375234508.db2.gz ONBWDPXCSVVLHE-JTNHKYCSSA-N 2 1 251.349 2.198 10 0 CEAEMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000563445931 377228175 /nfs/dbraw/zinc/22/81/75/377228175.db2.gz PSRHSVAXFMJQHB-HUUCEWRRSA-N 3 1 267.461 2.229 10 0 CEAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000305167800 379668271 /nfs/dbraw/zinc/66/82/71/379668271.db2.gz YXKJXUYIBRHYOU-RDBSUJKOSA-N 2 1 256.434 2.103 10 0 CEAEMP Cc1ccccc1N1C(N)=[NH+]CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000093377270 184668736 /nfs/dbraw/zinc/66/87/36/184668736.db2.gz DTQRIGFVLYLWPQ-VMZNBEPHSA-N 2 1 284.407 2.335 10 0 CEAEMP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](C)CC(C)C ZINC000093616602 184696124 /nfs/dbraw/zinc/69/61/24/184696124.db2.gz KLIYYSGMIAKJKC-CVEARBPZSA-N 2 1 270.461 2.495 10 0 CEAEMP Cc1[nH+]cn(CC[C@H]2CCC[C@@]2(CO)[NH2+]C(C)C)c1C ZINC000093618458 184696919 /nfs/dbraw/zinc/69/69/19/184696919.db2.gz DPWPDPUBQJYHFI-CVEARBPZSA-N 2 1 279.428 2.419 10 0 CEAEMP [NH3+][C@H]1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000093224390 135079667 /nfs/dbraw/zinc/07/96/67/135079667.db2.gz LPNKYLFOKXLETA-UONOGXRCSA-N 2 1 277.387 2.218 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000094443203 135088483 /nfs/dbraw/zinc/08/84/83/135088483.db2.gz LKXRJGZHJFWSLJ-MRXNPFEDSA-N 2 1 288.439 2.254 10 0 CEAEMP CCC(CC)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000153881456 395019536 /nfs/dbraw/zinc/01/95/36/395019536.db2.gz CKSLXPGOBJOGMO-CQSZACIVSA-N 2 1 270.461 2.447 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000396621717 395217903 /nfs/dbraw/zinc/21/79/03/395217903.db2.gz VCXRSPMVTRCEPQ-FZCLSBEQSA-N 2 1 287.451 2.237 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037826053 400119984 /nfs/dbraw/zinc/11/99/84/400119984.db2.gz DIKDWRNOQDSFKU-UHFFFAOYSA-N 2 1 295.471 2.083 10 0 CEAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000263118149 154021106 /nfs/dbraw/zinc/02/11/06/154021106.db2.gz ASZXETSAWATWSX-MSOLQXFVSA-N 2 1 282.387 2.024 10 0 CEAEMP CC(C)[C@@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000159907810 162318768 /nfs/dbraw/zinc/31/87/68/162318768.db2.gz IBTWQGVXGMSSRP-VIFPVBQESA-N 2 1 258.163 2.239 10 0 CEAEMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000170968077 162378397 /nfs/dbraw/zinc/37/83/97/162378397.db2.gz ZXQMTYJEZFHOLQ-INIZCTEOSA-N 2 1 295.471 2.195 10 0 CEAEMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156496 171363184 /nfs/dbraw/zinc/36/31/84/171363184.db2.gz MAKXYQYZOXQWPZ-ZDUSSCGKSA-N 2 1 275.396 2.206 10 0 CEAEMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037172394 173006064 /nfs/dbraw/zinc/00/60/64/173006064.db2.gz WTXSLOWJTNGILO-DOMZBBRYSA-N 2 1 250.386 2.157 10 0 CEAEMP C[N@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746490 174391553 /nfs/dbraw/zinc/39/15/53/174391553.db2.gz NGNZYKSIYKXGHI-PBWFPOADSA-N 2 1 274.364 2.130 10 0 CEAEMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746490 174391554 /nfs/dbraw/zinc/39/15/54/174391554.db2.gz NGNZYKSIYKXGHI-PBWFPOADSA-N 2 1 274.364 2.130 10 0 CEAEMP COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750124 174395025 /nfs/dbraw/zinc/39/50/25/174395025.db2.gz XUMLUJLVEOTNRG-AGUYFDCRSA-N 2 1 264.344 2.288 10 0 CEAEMP COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750124 174395027 /nfs/dbraw/zinc/39/50/27/174395027.db2.gz XUMLUJLVEOTNRG-AGUYFDCRSA-N 2 1 264.344 2.288 10 0 CEAEMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129182295 414810622 /nfs/dbraw/zinc/81/06/22/414810622.db2.gz LLAXGLWJPRROKY-CQSZACIVSA-N 2 1 263.385 2.101 10 0 CEAEMP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818018 175112890 /nfs/dbraw/zinc/11/28/90/175112890.db2.gz MOJPIQRJRKXYRU-ROUUACIJSA-N 2 1 287.451 2.290 10 0 CEAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818421 175113223 /nfs/dbraw/zinc/11/32/23/175113223.db2.gz RWVSFYITABCJKN-LSDHHAIUSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccccc1C ZINC000043818393 175113292 /nfs/dbraw/zinc/11/32/92/175113292.db2.gz DDLVUZHRWJAMLG-KRWDZBQOSA-N 2 1 275.440 2.283 10 0 CEAEMP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818016 175113296 /nfs/dbraw/zinc/11/32/96/175113296.db2.gz MOJPIQRJRKXYRU-ZWKOTPCHSA-N 2 1 287.451 2.290 10 0 CEAEMP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)CC(C)(C)C ZINC000045068432 175300040 /nfs/dbraw/zinc/30/00/40/175300040.db2.gz DGTACIGUILYHJY-GFCCVEGCSA-N 2 1 277.412 2.450 10 0 CEAEMP CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000045072521 175302197 /nfs/dbraw/zinc/30/21/97/175302197.db2.gz VEVCXTLGVNRXGK-HUUCEWRRSA-N 2 1 283.460 2.003 10 0 CEAEMP C[NH2+][C@@H]1CCOC[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073295 175302447 /nfs/dbraw/zinc/30/24/47/175302447.db2.gz MBYNEDQKLHTXTI-RBSFLKMASA-N 2 1 252.402 2.018 10 0 CEAEMP CCCNC(=O)CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000045076571 175302963 /nfs/dbraw/zinc/30/29/63/175302963.db2.gz BAVSIFZFZFALAT-FKEKPDDDSA-N 2 1 295.471 2.001 10 0 CEAEMP Cn1cc[nH+]c1CCn1c(N)[nH+]c2cccc(Cl)c21 ZINC000045135998 175313403 /nfs/dbraw/zinc/31/34/03/175313403.db2.gz IGNUOZQTTBQJMP-UHFFFAOYSA-N 2 1 275.743 2.248 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCCC[N@@H+]1CCc2ccccc2C1 ZINC000045378755 175368258 /nfs/dbraw/zinc/36/82/58/175368258.db2.gz LHTNFMKHPIHDPW-QGZVFWFLSA-N 2 1 290.407 2.105 10 0 CEAEMP COC(=O)[C@](C)([NH3+])CCCC[N@H+]1CCc2ccccc2C1 ZINC000045378755 175368259 /nfs/dbraw/zinc/36/82/59/175368259.db2.gz LHTNFMKHPIHDPW-QGZVFWFLSA-N 2 1 290.407 2.105 10 0 CEAEMP CC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)CC(C)C ZINC000045381680 175369617 /nfs/dbraw/zinc/36/96/17/175369617.db2.gz YLLVOAAMZZIFRD-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)CC(C)C ZINC000045381680 175369618 /nfs/dbraw/zinc/36/96/18/175369618.db2.gz YLLVOAAMZZIFRD-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](CC)CC(C)C)[NH2+]C ZINC000045381812 175369723 /nfs/dbraw/zinc/36/97/23/175369723.db2.gz FHIIFPBDCXIUMC-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)CC(C)C)[NH2+]C ZINC000045381812 175369724 /nfs/dbraw/zinc/36/97/24/175369724.db2.gz FHIIFPBDCXIUMC-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](CC)C(C)C)[NH2+]C ZINC000045383649 175371097 /nfs/dbraw/zinc/37/10/97/175371097.db2.gz XCZFJCORFYHHAG-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)C(C)C)[NH2+]C ZINC000045383649 175371098 /nfs/dbraw/zinc/37/10/98/175371098.db2.gz XCZFJCORFYHHAG-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383190 175371124 /nfs/dbraw/zinc/37/11/24/175371124.db2.gz FHWLJJRZRCTPIP-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383190 175371125 /nfs/dbraw/zinc/37/11/25/175371125.db2.gz FHWLJJRZRCTPIP-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045386891 175373180 /nfs/dbraw/zinc/37/31/80/175373180.db2.gz YXWWHBPIJLJUAU-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045386891 175373182 /nfs/dbraw/zinc/37/31/82/175373182.db2.gz YXWWHBPIJLJUAU-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393033 175375804 /nfs/dbraw/zinc/37/58/04/175375804.db2.gz ALGLFBKIGYIOPA-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393033 175375805 /nfs/dbraw/zinc/37/58/05/175375805.db2.gz ALGLFBKIGYIOPA-BBRMVZONSA-N 2 1 284.444 2.428 10 0 CEAEMP C[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421019 175380200 /nfs/dbraw/zinc/38/02/00/175380200.db2.gz ZUGLPUTUEWBMFL-WFASDCNBSA-N 2 1 272.433 2.284 10 0 CEAEMP C[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421019 175380202 /nfs/dbraw/zinc/38/02/02/175380202.db2.gz ZUGLPUTUEWBMFL-WFASDCNBSA-N 2 1 272.433 2.284 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2ccc(C(N)=[NH2+])cc2F)C[C@H](C)S1 ZINC000070383632 175902962 /nfs/dbraw/zinc/90/29/62/175902962.db2.gz YGXXVZUNOMYVRB-AOOOYVTPSA-N 2 1 281.400 2.436 10 0 CEAEMP FC(F)(F)c1ccncc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000665299571 415688402 /nfs/dbraw/zinc/68/84/02/415688402.db2.gz PLCKMCICZJWGMF-NSHDSACASA-N 2 1 273.302 2.332 10 0 CEAEMP CCC[NH2+][C@@H]1CCCN(CCC[N@H+]2CCCC[C@@H]2C)C1=O ZINC000071037913 176026703 /nfs/dbraw/zinc/02/67/03/176026703.db2.gz FQCQHGLOITZQDP-JKSUJKDBSA-N 2 1 295.471 2.242 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188083 176062100 /nfs/dbraw/zinc/06/21/00/176062100.db2.gz WUNPGMQCROCONR-IOASZLSFSA-N 2 1 279.403 2.098 10 0 CEAEMP C[C@H](C[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071188449 176062690 /nfs/dbraw/zinc/06/26/90/176062690.db2.gz SWOCKCVDRCRMJJ-JFIYKMOQSA-N 2 1 289.467 2.391 10 0 CEAEMP C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188583 176063558 /nfs/dbraw/zinc/06/35/58/176063558.db2.gz WNXOOXYZJWDQHR-UXLLHSPISA-N 2 1 281.488 2.414 10 0 CEAEMP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1C ZINC000071188852 176063954 /nfs/dbraw/zinc/06/39/54/176063954.db2.gz DNHXINZNXWMPKA-NVXWUHKLSA-N 2 1 275.440 2.139 10 0 CEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188781 176063986 /nfs/dbraw/zinc/06/39/86/176063986.db2.gz ARTXEKGNDIEQGU-PMPSAXMXSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191488 176069919 /nfs/dbraw/zinc/06/99/19/176069919.db2.gz KOUZRZFAEURWEM-ZBFHGGJFSA-N 2 1 267.461 2.038 10 0 CEAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)C[C@@H]1CC[NH+](C)C1 ZINC000071191862 176072465 /nfs/dbraw/zinc/07/24/65/176072465.db2.gz PNZCAGIPOFRKJQ-HNNXBMFYSA-N 3 1 269.477 2.428 10 0 CEAEMP C[NH+](CCCCC[NH2+]C(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191862 176072466 /nfs/dbraw/zinc/07/24/66/176072466.db2.gz PNZCAGIPOFRKJQ-HNNXBMFYSA-N 3 1 269.477 2.428 10 0 CEAEMP C[NH+](CCCCC[NH2+]C(C)(C)C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191862 176072467 /nfs/dbraw/zinc/07/24/67/176072467.db2.gz PNZCAGIPOFRKJQ-HNNXBMFYSA-N 3 1 269.477 2.428 10 0 CEAEMP CN1CC[C@@H](C[N@H+](C)CCCCC[NH2+]C(C)(C)C)C1 ZINC000071191862 176072468 /nfs/dbraw/zinc/07/24/68/176072468.db2.gz PNZCAGIPOFRKJQ-HNNXBMFYSA-N 2 1 269.477 2.428 10 0 CEAEMP CN1CC[C@@H](C[N@@H+](C)CCCCC[NH2+]C(C)(C)C)C1 ZINC000071191862 176072469 /nfs/dbraw/zinc/07/24/69/176072469.db2.gz PNZCAGIPOFRKJQ-HNNXBMFYSA-N 2 1 269.477 2.428 10 0 CEAEMP C[C@@H](C[NH2+]C1CCCCC1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192194 176073694 /nfs/dbraw/zinc/07/36/94/176073694.db2.gz CBTAYQFOUPZXJM-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP C[N@@H+](CCCN1CC[C@H]([NH2+]C2CC2)C1)Cc1ccccc1 ZINC000071198154 176077326 /nfs/dbraw/zinc/07/73/26/176077326.db2.gz OTYWBSXRKFATJD-SFHVURJKSA-N 2 1 287.451 2.335 10 0 CEAEMP CN1CCC([N@@H+](C)CCCCCC[NH2+]C2CC2)CC1 ZINC000071287357 176109919 /nfs/dbraw/zinc/10/99/19/176109919.db2.gz AGCIVECUWJZQCX-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP C[N@H+](CCCCCC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000071287357 176109921 /nfs/dbraw/zinc/10/99/21/176109921.db2.gz AGCIVECUWJZQCX-UHFFFAOYSA-N 3 1 267.461 2.325 10 0 CEAEMP C[N@@H+](CCCCCC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000071287357 176109923 /nfs/dbraw/zinc/10/99/23/176109923.db2.gz AGCIVECUWJZQCX-UHFFFAOYSA-N 3 1 267.461 2.325 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071377494 176142748 /nfs/dbraw/zinc/14/27/48/176142748.db2.gz AXYQHVWAQSZMLO-OAHLLOKOSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071377493 176142763 /nfs/dbraw/zinc/14/27/63/176142763.db2.gz AXYQHVWAQSZMLO-HNNXBMFYSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000261557576 279284333 /nfs/dbraw/zinc/28/43/33/279284333.db2.gz XMCRTDJXMPLETH-WBVHZDCISA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261557576 279284336 /nfs/dbraw/zinc/28/43/36/279284336.db2.gz XMCRTDJXMPLETH-WBVHZDCISA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCCCC1 ZINC000038041945 279348499 /nfs/dbraw/zinc/34/84/99/279348499.db2.gz IOWMQIOULGGFNY-IXDOHACOSA-N 2 1 281.488 2.428 10 0 CEAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCCCC1 ZINC000038041945 279348500 /nfs/dbraw/zinc/34/85/00/279348500.db2.gz IOWMQIOULGGFNY-IXDOHACOSA-N 3 1 281.488 2.428 10 0 CEAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCCCC1 ZINC000038041945 279348501 /nfs/dbraw/zinc/34/85/01/279348501.db2.gz IOWMQIOULGGFNY-IXDOHACOSA-N 3 1 281.488 2.428 10 0 CEAEMP CCC[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1CC)[NH+](C)C ZINC000245522369 280247315 /nfs/dbraw/zinc/24/73/15/280247315.db2.gz UJRKSRLAVWTOGK-CABCVRRESA-N 2 1 283.460 2.097 10 0 CEAEMP C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000577204740 314351973 /nfs/dbraw/zinc/35/19/73/314351973.db2.gz DDAUDCZHAZPHQC-USXIJHARSA-N 2 1 275.440 2.267 10 0 CEAEMP C1C[NH2+][C@H]([C@@H]2CCC[N@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590656 518580148 /nfs/dbraw/zinc/58/01/48/518580148.db2.gz KVAOPPYOWDZIGK-MCIONIFRSA-N 2 1 254.443 2.346 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630444 519739641 /nfs/dbraw/zinc/73/96/41/519739641.db2.gz VJKURLVBASLFST-DVOMOZLQSA-N 2 1 285.476 2.373 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630444 519739643 /nfs/dbraw/zinc/73/96/43/519739643.db2.gz VJKURLVBASLFST-DVOMOZLQSA-N 2 1 285.476 2.373 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@@H+](C)C(C)C ZINC000054628597 519907589 /nfs/dbraw/zinc/90/75/89/519907589.db2.gz TVVRWPCXWSCMLW-MQVJKMGUSA-N 2 1 267.461 2.322 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511053 519936871 /nfs/dbraw/zinc/93/68/71/519936871.db2.gz UXHSDDSQMQUECK-PMPSAXMXSA-N 2 1 284.444 2.035 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632886 520109401 /nfs/dbraw/zinc/10/94/01/520109401.db2.gz TVKIBCLOWNEVTK-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632886 520109407 /nfs/dbraw/zinc/10/94/07/520109407.db2.gz TVKIBCLOWNEVTK-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000062739428 520308815 /nfs/dbraw/zinc/30/88/15/520308815.db2.gz ISHANNHCWRVOCU-HNNXBMFYSA-N 2 1 250.386 2.261 10 0 CEAEMP CCC[N@@H+](CCN(C)C)[C@H](C)CCC[NH2+]C(C)C ZINC000052544236 521657314 /nfs/dbraw/zinc/65/73/14/521657314.db2.gz RAQYOJKNNXEZLI-OAHLLOKOSA-N 2 1 257.466 2.427 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](C)CCc2ccncc2)o1 ZINC000052483079 522116308 /nfs/dbraw/zinc/11/63/08/522116308.db2.gz YWLJBRPOGDTDQS-UHFFFAOYSA-N 2 1 259.353 2.069 10 0 CEAEMP COC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052511607 522221074 /nfs/dbraw/zinc/22/10/74/522221074.db2.gz PXABGGPDNKOISM-LLVKDONJSA-N 2 1 269.389 2.029 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052511607 522221087 /nfs/dbraw/zinc/22/10/87/522221087.db2.gz PXABGGPDNKOISM-LLVKDONJSA-N 2 1 269.389 2.029 10 0 CEAEMP C(CC[N@H+]1CCO[C@@H]2CCCC[C@H]21)C[NH2+]C1CC1 ZINC000052573026 518384045 /nfs/dbraw/zinc/38/40/45/518384045.db2.gz GPKCXGAOXUPHDZ-HUUCEWRRSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626983 519614252 /nfs/dbraw/zinc/61/42/52/519614252.db2.gz MQRKAWDQXPUVIL-OKILXGFUSA-N 2 1 252.402 2.303 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626983 519614257 /nfs/dbraw/zinc/61/42/57/519614257.db2.gz MQRKAWDQXPUVIL-OKILXGFUSA-N 2 1 252.402 2.303 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626983 519614264 /nfs/dbraw/zinc/61/42/64/519614264.db2.gz MQRKAWDQXPUVIL-OKILXGFUSA-N 2 1 252.402 2.303 10 0 CEAEMP CC(C)[N@@H+]1CC[C@@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853834 519686598 /nfs/dbraw/zinc/68/65/98/519686598.db2.gz LKIZJXRUACWZPW-GFCCVEGCSA-N 2 1 258.369 2.349 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853834 519686600 /nfs/dbraw/zinc/68/66/00/519686600.db2.gz LKIZJXRUACWZPW-GFCCVEGCSA-N 2 1 258.369 2.349 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480093 519720873 /nfs/dbraw/zinc/72/08/73/519720873.db2.gz CAEMJIQVIWFJHZ-OAHLLOKOSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417298 519722839 /nfs/dbraw/zinc/72/28/39/519722839.db2.gz RPWNDODFGBCQFJ-MRXNPFEDSA-N 2 1 275.440 2.443 10 0 CEAEMP CC(C)CN1CC[NH+](CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083654 519725965 /nfs/dbraw/zinc/72/59/65/519725965.db2.gz JKHPJOHADMZHHQ-MRXNPFEDSA-N 2 1 267.461 2.040 10 0 CEAEMP CC(C)C[NH2+]Cc1ccoc1CN1CCC[N@@H+](C)CC1 ZINC000052424177 519748092 /nfs/dbraw/zinc/74/80/92/519748092.db2.gz XLSVZBZTWKWRRZ-UHFFFAOYSA-N 2 1 279.428 2.163 10 0 CEAEMP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCCN(C)CC1 ZINC000052424177 519748093 /nfs/dbraw/zinc/74/80/93/519748093.db2.gz XLSVZBZTWKWRRZ-UHFFFAOYSA-N 2 1 279.428 2.163 10 0 CEAEMP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCCN(C)CC1 ZINC000052424177 519748095 /nfs/dbraw/zinc/74/80/95/519748095.db2.gz XLSVZBZTWKWRRZ-UHFFFAOYSA-N 2 1 279.428 2.163 10 0 CEAEMP CCCC1CC[NH+](CC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000050905579 519901568 /nfs/dbraw/zinc/90/15/68/519901568.db2.gz NRSRUDVAQDHRPY-MRXNPFEDSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[N@@H+](CC)C1 ZINC000054602502 519909467 /nfs/dbraw/zinc/90/94/67/519909467.db2.gz DUJZXGVPYPQGFE-NPYXIHBLSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+]2C[C@H](C)OC[C@@H]2CC)CCOCC1 ZINC000052197567 519910610 /nfs/dbraw/zinc/91/06/10/519910610.db2.gz ZIVHNBQLLYDIOM-HOTGVXAUSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2C[C@H](C)OC[C@@H]2CC)CCOCC1 ZINC000052197567 519910613 /nfs/dbraw/zinc/91/06/13/519910613.db2.gz ZIVHNBQLLYDIOM-HOTGVXAUSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[NH2+]Cc1cc(CN2CCC[N@@H+](C)CC2)oc1C ZINC000052424183 519944163 /nfs/dbraw/zinc/94/41/63/519944163.db2.gz QIIYNSHPFUETIH-UHFFFAOYSA-N 2 1 279.428 2.225 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@@H+]2CCCN(C)CC2)oc1C ZINC000052424183 519944169 /nfs/dbraw/zinc/94/41/69/519944169.db2.gz QIIYNSHPFUETIH-UHFFFAOYSA-N 2 1 279.428 2.225 10 0 CEAEMP CCC[NH2+]Cc1cc(C[N@H+]2CCCN(C)CC2)oc1C ZINC000052424183 519944175 /nfs/dbraw/zinc/94/41/75/519944175.db2.gz QIIYNSHPFUETIH-UHFFFAOYSA-N 2 1 279.428 2.225 10 0 CEAEMP CC[NH2+]C[C@H](C)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702363 519969918 /nfs/dbraw/zinc/96/99/18/519969918.db2.gz OHPLHADTFMHFRM-HOCLYGCPSA-N 2 1 262.397 2.276 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CC(C)C)C2CC2)O1 ZINC000052515887 519980510 /nfs/dbraw/zinc/98/05/10/519980510.db2.gz NABXDVQJHHTHOJ-HUUCEWRRSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@H]2CC)c1 ZINC000052481411 520004418 /nfs/dbraw/zinc/00/44/18/520004418.db2.gz YPUXHGDMWQYARU-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCOC[C@H]2CC)c1 ZINC000052481411 520004423 /nfs/dbraw/zinc/00/44/23/520004423.db2.gz YPUXHGDMWQYARU-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000052541094 520006451 /nfs/dbraw/zinc/00/64/51/520006451.db2.gz XUWPZHSRTCRYLK-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1occc1COCC[C@H]1CCC[N@H+]1C ZINC000052673281 520030372 /nfs/dbraw/zinc/03/03/72/520030372.db2.gz JRSCXZNMURDGBE-CQSZACIVSA-N 2 1 266.385 2.390 10 0 CEAEMP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](C)CCO ZINC000054560062 520096403 /nfs/dbraw/zinc/09/64/03/520096403.db2.gz GZNPGYFUATVMSO-OAGGEKHMSA-N 2 1 270.461 2.351 10 0 CEAEMP CCC[NH2+][C@](C)(CC[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000062956589 520104931 /nfs/dbraw/zinc/10/49/31/520104931.db2.gz NUHYOWVGTLHBJC-MRXNPFEDSA-N 2 1 295.471 2.276 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653660 520116523 /nfs/dbraw/zinc/11/65/23/520116523.db2.gz IACGPFGETOZFRR-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653660 520116529 /nfs/dbraw/zinc/11/65/29/520116529.db2.gz IACGPFGETOZFRR-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2cc(C)c(C[NH3+])o2)C1 ZINC000052372228 520526634 /nfs/dbraw/zinc/52/66/34/520526634.db2.gz KCEMSHAUKXSCGV-LBPRGKRZSA-N 2 1 252.358 2.048 10 0 CEAEMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702530 520837553 /nfs/dbraw/zinc/83/75/53/520837553.db2.gz ISWJEUUQADGZAJ-IAGOWNOFSA-N 2 1 290.455 2.434 10 0 CEAEMP CC[N@@H+](CCCOc1ccccc1)C[C@@H](C)C(N)=[NH2+] ZINC000061815881 521040252 /nfs/dbraw/zinc/04/02/52/521040252.db2.gz CQPHZLIIYDLHRJ-CYBMUJFWSA-N 2 1 263.385 2.349 10 0 CEAEMP CCC[C@H]1CN(CCn2cc[nH+]c2C)[C@@H](CCC)C[NH2+]1 ZINC000068700452 521222262 /nfs/dbraw/zinc/22/22/62/521222262.db2.gz OVUKYHMGBZAEDR-HOTGVXAUSA-N 2 1 278.444 2.434 10 0 CEAEMP CC[N@@H+](Cc1cc(C)c(C[NH2+]C)o1)[C@H](C)COC ZINC000052505152 521285885 /nfs/dbraw/zinc/28/58/85/521285885.db2.gz FOKVPOQRJDVLBL-GFCCVEGCSA-N 2 1 254.374 2.164 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@@H+]1CCC[C@H]1CN(C)C ZINC000061653545 521439125 /nfs/dbraw/zinc/43/91/25/521439125.db2.gz SBMUCGIQFTYPCF-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@H+]1CCC[C@H]1CN(C)C ZINC000061653545 521439132 /nfs/dbraw/zinc/43/91/32/521439132.db2.gz SBMUCGIQFTYPCF-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CC[N@@H+](Cc1occc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052504766 521471023 /nfs/dbraw/zinc/47/10/23/521471023.db2.gz KAZIKTISGBSYEC-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1cc(C[NH2+]C)no1 ZINC000052573345 521558654 /nfs/dbraw/zinc/55/86/54/521558654.db2.gz JRQVJALDEMHDIK-UHFFFAOYSA-N 2 1 269.389 2.031 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1cc[nH+]c(NN)c1 ZINC000052722100 521559503 /nfs/dbraw/zinc/55/95/03/521559503.db2.gz KMABNTXQVJDKLZ-UHFFFAOYSA-N 2 1 266.389 2.004 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1ccc(C[NH3+])o1 ZINC000052573336 521559586 /nfs/dbraw/zinc/55/95/86/521559586.db2.gz VMAJIPJYVDOZFQ-UHFFFAOYSA-N 2 1 254.374 2.375 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(OC)c1 ZINC000054628152 521957361 /nfs/dbraw/zinc/95/73/61/521957361.db2.gz FWLLZIQTFDNSSR-GOOCMWNKSA-N 2 1 290.407 2.419 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(OC)c1 ZINC000054628152 521957369 /nfs/dbraw/zinc/95/73/69/521957369.db2.gz FWLLZIQTFDNSSR-GOOCMWNKSA-N 2 1 290.407 2.419 10 0 CEAEMP C[NH2+]CC1(C[N@@H+]2CCc3sccc3C2)CCOCC1 ZINC000052180874 521971474 /nfs/dbraw/zinc/97/14/74/521971474.db2.gz NDDLWYJXGMIFAK-UHFFFAOYSA-N 2 1 280.437 2.122 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCc3sccc3C2)CCOCC1 ZINC000052180874 521971483 /nfs/dbraw/zinc/97/14/83/521971483.db2.gz NDDLWYJXGMIFAK-UHFFFAOYSA-N 2 1 280.437 2.122 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccco2)C2CC2)O1 ZINC000052370909 522060171 /nfs/dbraw/zinc/06/01/71/522060171.db2.gz AEWQJRDHWARRFF-ZFWWWQNUSA-N 2 1 264.369 2.011 10 0 CEAEMP C[NH2+]C[C@](C)(C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763410 522098740 /nfs/dbraw/zinc/09/87/40/522098740.db2.gz RSGUUWNNKVQXPX-QZTJIDSGSA-N 2 1 290.451 2.401 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083445 522117608 /nfs/dbraw/zinc/11/76/08/522117608.db2.gz XOYRHOMWNZZQSV-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540244 522133112 /nfs/dbraw/zinc/13/31/12/522133112.db2.gz KCFHTHUBUPQJIX-DLBZAZTESA-N 2 1 290.407 2.038 10 0 CEAEMP C[NH2+]Cc1cccc(OCC[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540244 522133120 /nfs/dbraw/zinc/13/31/20/522133120.db2.gz KCFHTHUBUPQJIX-DLBZAZTESA-N 2 1 290.407 2.038 10 0 CEAEMP C[NH2+][C@H]1CCCc2nc(N(C)[C@@H]3CCC[N@@H+](C)C3)sc21 ZINC000054905600 522499667 /nfs/dbraw/zinc/49/96/67/522499667.db2.gz QEZAJBPMLZPFQV-NEPJUHHUSA-N 2 1 294.468 2.270 10 0 CEAEMP CCc1[nH+]ccn1C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052593194 522585712 /nfs/dbraw/zinc/58/57/12/522585712.db2.gz VFVPOTQAQGWSKI-ZIAGYGMSSA-N 2 1 265.401 2.239 10 0 CEAEMP C[N@@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCCO1 ZINC000052507648 523144103 /nfs/dbraw/zinc/14/41/03/523144103.db2.gz FEAUUUNIHFHZHQ-HRCADAONSA-N 2 1 298.471 2.423 10 0 CEAEMP CC[C@H]1CN(c2nc(C3CC3)c(C[NH2+]C)s2)CC[N@H+]1C ZINC000069182962 523309744 /nfs/dbraw/zinc/30/97/44/523309744.db2.gz VSKWKKOIFOYQTD-LBPRGKRZSA-N 2 1 294.468 2.270 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197590 523343016 /nfs/dbraw/zinc/34/30/16/523343016.db2.gz ZVXXFPIGOCYQAO-HOCLYGCPSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197590 523343014 /nfs/dbraw/zinc/34/30/14/523343014.db2.gz ZVXXFPIGOCYQAO-HOCLYGCPSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570902 523352273 /nfs/dbraw/zinc/35/22/73/523352273.db2.gz ABCCAKXZNCJHDW-RISCZKNCSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570902 523352280 /nfs/dbraw/zinc/35/22/80/523352280.db2.gz ABCCAKXZNCJHDW-RISCZKNCSA-N 2 1 266.385 2.307 10 0 CEAEMP COCC[N@@H+](C)CCOc1ccccc1C[NH2+]C(C)C ZINC000052572846 523617525 /nfs/dbraw/zinc/61/75/25/523617525.db2.gz YAVMYEMLXKXYGC-UHFFFAOYSA-N 2 1 280.412 2.142 10 0 CEAEMP CN(c1cc(Cl)ccc1C[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000062787040 523630971 /nfs/dbraw/zinc/63/09/71/523630971.db2.gz VXOXPSLYXXJYNT-ZDUSSCGKSA-N 2 1 267.804 2.329 10 0 CEAEMP CN(c1cc(Cl)ccc1C[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000062787041 523632669 /nfs/dbraw/zinc/63/26/69/523632669.db2.gz VXOXPSLYXXJYNT-CYBMUJFWSA-N 2 1 267.804 2.329 10 0 CEAEMP COCC[NH+](CCOC)Cc1ccoc1C[NH2+]CC(C)C ZINC000052571515 523719383 /nfs/dbraw/zinc/71/93/83/523719383.db2.gz VDRZKZWUHWBZAC-UHFFFAOYSA-N 2 1 298.427 2.120 10 0 CEAEMP COCC[N@@H+]([C@@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017249 523780179 /nfs/dbraw/zinc/78/01/79/523780179.db2.gz NZZODCIUGSDUIU-HOCLYGCPSA-N 2 1 280.412 2.060 10 0 CEAEMP CN1CCC[N@@H+](CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052424332 523807058 /nfs/dbraw/zinc/80/70/58/523807058.db2.gz YMWMGOJFGKMVOX-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183505 524163152 /nfs/dbraw/zinc/16/31/52/524163152.db2.gz HZMNEFLKSCZROB-ZIAGYGMSSA-N 2 1 254.418 2.252 10 0 CEAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)C1 ZINC000052381582 524230089 /nfs/dbraw/zinc/23/00/89/524230089.db2.gz RHYOCGJGIGRSKK-YUELXQCFSA-N 2 1 252.402 2.018 10 0 CEAEMP C[C@@H](CCC[NH3+])O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702320 524456517 /nfs/dbraw/zinc/45/65/17/524456517.db2.gz VFBMAOARNFMFBO-HOCLYGCPSA-N 2 1 262.397 2.405 10 0 CEAEMP C[C@H]1COCC[N@@H+]1Cc1c(C[NH3+])oc2ccccc21 ZINC000052475844 524721689 /nfs/dbraw/zinc/72/16/89/524721689.db2.gz KNQSUFCYVVVIEA-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@H]1COCC[N@H+]1Cc1c(C[NH3+])oc2ccccc21 ZINC000052475844 524721700 /nfs/dbraw/zinc/72/17/00/524721700.db2.gz KNQSUFCYVVVIEA-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757280 524838972 /nfs/dbraw/zinc/83/89/72/524838972.db2.gz UZJRXKSJVHIYIG-IMJJTQAJSA-N 2 1 262.397 2.312 10 0 CEAEMP C[C@H]([NH3+])[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757280 524838982 /nfs/dbraw/zinc/83/89/82/524838982.db2.gz UZJRXKSJVHIYIG-IMJJTQAJSA-N 2 1 262.397 2.312 10 0 CEAEMP Cc1ccccc1C[N@@H+](C)Cc1ccnc(C[NH3+])c1 ZINC000068749595 525128095 /nfs/dbraw/zinc/12/80/95/525128095.db2.gz RRFQOFXCMFYCLU-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP Cc1cc(N[C@H](CC(C)C)C[NH+](C)C)nc(C)[nH+]1 ZINC000049558076 525303373 /nfs/dbraw/zinc/30/33/73/525303373.db2.gz LHTKTYWGBPEUMM-CYBMUJFWSA-N 2 1 250.390 2.482 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000050563663 525639958 /nfs/dbraw/zinc/63/99/58/525639958.db2.gz NCJWIJNWEOKUJP-QWHCGFSZSA-N 2 1 275.396 2.204 10 0 CEAEMP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)c1ccc(C[NH3+])cc1 ZINC000068690010 525721289 /nfs/dbraw/zinc/72/12/89/525721289.db2.gz GTQJDFGCVWGPMU-LLVKDONJSA-N 2 1 271.368 2.174 10 0 CEAEMP Cc1ccsc1[C@@H](C[NH3+])N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205594 525871171 /nfs/dbraw/zinc/87/11/71/525871171.db2.gz ZUTFBWJIXYNRIU-CHWSQXEVSA-N 2 1 267.442 2.082 10 0 CEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCn1ccnc1 ZINC000054602834 527145716 /nfs/dbraw/zinc/14/57/16/527145716.db2.gz UXDILKUEGQBUHV-GOOCMWNKSA-N 2 1 262.401 2.008 10 0 CEAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCn1ccnc1 ZINC000054602834 527145724 /nfs/dbraw/zinc/14/57/24/527145724.db2.gz UXDILKUEGQBUHV-GOOCMWNKSA-N 2 1 262.401 2.008 10 0 CEAEMP Cc1[nH+]ccn1CCOc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798270 527435251 /nfs/dbraw/zinc/43/52/51/527435251.db2.gz SJXHAHPEOVYYFJ-AWEZNQCLSA-N 2 1 257.337 2.217 10 0 CEAEMP CC(C)[C@H]1O[C@]2(CCC[N@@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143743 574510307 /nfs/dbraw/zinc/51/03/07/574510307.db2.gz MQOJBJFFNDGCGV-HIFRSBDPSA-N 2 1 252.402 2.223 10 0 CEAEMP Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1Br ZINC000685965571 574823688 /nfs/dbraw/zinc/82/36/88/574823688.db2.gz JWYXLPAMSBTHSV-CMPLNLGQSA-N 2 1 269.186 2.162 10 0 CEAEMP CC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000224873389 628883320 /nfs/dbraw/zinc/88/33/20/628883320.db2.gz SHPAAWXCLZYVCL-CABCVRRESA-N 2 1 252.402 2.162 10 0 CEAEMP CC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000224873389 628883324 /nfs/dbraw/zinc/88/33/24/628883324.db2.gz SHPAAWXCLZYVCL-CABCVRRESA-N 2 1 252.402 2.162 10 0 CEAEMP CC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000224873389 628883328 /nfs/dbraw/zinc/88/33/28/628883328.db2.gz SHPAAWXCLZYVCL-CABCVRRESA-N 2 1 252.402 2.162 10 0 CEAEMP CC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000224873389 628883332 /nfs/dbraw/zinc/88/33/32/628883332.db2.gz SHPAAWXCLZYVCL-CABCVRRESA-N 2 1 252.402 2.162 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178980982 629878986 /nfs/dbraw/zinc/87/89/86/629878986.db2.gz ODHGWSFALCJYRB-OAHLLOKOSA-N 2 1 276.428 2.173 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818491 185115755 /nfs/dbraw/zinc/11/57/55/185115755.db2.gz PADNYABCJTVRQM-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818491 185115756 /nfs/dbraw/zinc/11/57/56/185115756.db2.gz PADNYABCJTVRQM-XJKSGUPXSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262792 539211652 /nfs/dbraw/zinc/21/16/52/539211652.db2.gz QVGLTCVDVABRDZ-NEPJUHHUSA-N 2 1 258.287 2.500 10 0 CEAEMP C[C@H](C[NH3+])[C@H](C)Nc1cc[nH+]cc1Br ZINC000228820722 344564079 /nfs/dbraw/zinc/56/40/79/344564079.db2.gz PLSDORCGEIBZHK-SFYZADRCSA-N 2 1 258.163 2.239 10 0 CEAEMP C[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307399203 344722380 /nfs/dbraw/zinc/72/23/80/344722380.db2.gz VUIBAYGKFDAQJI-MXSMSXNCSA-N 2 1 287.451 2.461 10 0 CEAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309852718 344729894 /nfs/dbraw/zinc/72/98/94/344729894.db2.gz BFSDGMWSDDHLPB-KZNAEPCWSA-N 2 1 288.435 2.402 10 0 CEAEMP CC(C)[NH2+][C@](C)(CO)C[NH+]1CCC2(CCCC2)CC1 ZINC000085212664 178976010 /nfs/dbraw/zinc/97/60/10/178976010.db2.gz NLDQDHDONCEISJ-HNNXBMFYSA-N 2 1 268.445 2.392 10 0 CEAEMP CCO[C@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)C1(C)C ZINC000085380401 179045427 /nfs/dbraw/zinc/04/54/27/179045427.db2.gz VCZOOTQPBAUGQQ-IHRRRGAJSA-N 2 1 256.434 2.366 10 0 CEAEMP CCC[C@H]1CN(CCn2cc[nH+]c2C)C(C)(C)C[NH2+]1 ZINC000085455513 179067955 /nfs/dbraw/zinc/06/79/55/179067955.db2.gz SIAIFAVOQSWRGL-AWEZNQCLSA-N 2 1 264.417 2.044 10 0 CEAEMP CC[N@H+]1CC[C@@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085570485 179096293 /nfs/dbraw/zinc/09/62/93/179096293.db2.gz KSIJUMWINUJCBV-CYBMUJFWSA-N 2 1 290.455 2.168 10 0 CEAEMP Cc1nccn1CC[N@@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624311 179107072 /nfs/dbraw/zinc/10/70/72/179107072.db2.gz IHRMUHFNVMZVJQ-ZFWWWQNUSA-N 2 1 278.444 2.290 10 0 CEAEMP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085624327 179107127 /nfs/dbraw/zinc/10/71/27/179107127.db2.gz HVIDODIXTBRKFF-RDBSUJKOSA-N 2 1 254.418 2.264 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000085622332 179106237 /nfs/dbraw/zinc/10/62/37/179106237.db2.gz XWEUQNAETMKDHU-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000085622332 179106239 /nfs/dbraw/zinc/10/62/39/179106239.db2.gz XWEUQNAETMKDHU-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC000086145707 179238469 /nfs/dbraw/zinc/23/84/69/179238469.db2.gz FHAVKFHROABFPD-OAHLLOKOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[NH+]1CCC(CN2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086145707 179238472 /nfs/dbraw/zinc/23/84/72/179238472.db2.gz FHAVKFHROABFPD-OAHLLOKOSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[N@H+]1CC[C@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086141843 179236647 /nfs/dbraw/zinc/23/66/47/179236647.db2.gz MLQIZKVPKRSARW-RDJZCZTQSA-N 2 1 279.472 2.182 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086173702 179244023 /nfs/dbraw/zinc/24/40/23/179244023.db2.gz QQPPEAIKAZMYBL-PMPSAXMXSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](c2ccccc2)CN1 ZINC000086173650 179245030 /nfs/dbraw/zinc/24/50/30/179245030.db2.gz FMUUUCIOKPHMEH-YJBOKZPZSA-N 2 1 287.451 2.363 10 0 CEAEMP C[C@H]1CN(CC2CC[NH+](C)CC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173650 179245031 /nfs/dbraw/zinc/24/50/31/179245031.db2.gz FMUUUCIOKPHMEH-YJBOKZPZSA-N 2 1 287.451 2.363 10 0 CEAEMP C[C@@H]1CN[C@H](Cc2ccccc2)C[N@H+]1CCCC[NH+](C)C ZINC000086174299 179245427 /nfs/dbraw/zinc/24/54/27/179245427.db2.gz ULKGADNLNFBVNH-SJLPKXTDSA-N 2 1 289.467 2.233 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCCC[NH+](C)C ZINC000086174299 179245429 /nfs/dbraw/zinc/24/54/29/179245429.db2.gz ULKGADNLNFBVNH-SJLPKXTDSA-N 2 1 289.467 2.233 10 0 CEAEMP CC(C)[C@@H]1C[N@@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086174303 179245833 /nfs/dbraw/zinc/24/58/33/179245833.db2.gz DPQPCMXAVPXLMA-HOTGVXAUSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)[C@@H]1CN(CCCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086174303 179245834 /nfs/dbraw/zinc/24/58/34/179245834.db2.gz DPQPCMXAVPXLMA-HOTGVXAUSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259244 179257732 /nfs/dbraw/zinc/25/77/32/179257732.db2.gz ZCCCPRRITZEIML-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259277 179258206 /nfs/dbraw/zinc/25/82/06/179258206.db2.gz GPWJOCOWKYWPGZ-BRWVUGGUSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259613 179258774 /nfs/dbraw/zinc/25/87/74/179258774.db2.gz CBZOVDIZHNXXNF-GDBMZVCRSA-N 2 1 277.456 2.220 10 0 CEAEMP CC[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](CC)C[NH2+]1 ZINC000086260768 179259984 /nfs/dbraw/zinc/25/99/84/179259984.db2.gz RTONANLKUONBBB-PMPSAXMXSA-N 2 1 267.461 2.179 10 0 CEAEMP CC1(C)C[N@H+](CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269671 179261854 /nfs/dbraw/zinc/26/18/54/179261854.db2.gz ONQDNXDVMGRLPL-UHFFFAOYSA-N 2 1 290.407 2.074 10 0 CEAEMP CC1(C)C[N@@H+](CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269671 179261855 /nfs/dbraw/zinc/26/18/55/179261855.db2.gz ONQDNXDVMGRLPL-UHFFFAOYSA-N 2 1 290.407 2.074 10 0 CEAEMP c1ccc([C@@H]2CN([C@@H]3CC[N@H+]4CCC[C@H]34)CCC[NH2+]2)cc1 ZINC000086290898 179265210 /nfs/dbraw/zinc/26/52/10/179265210.db2.gz GJMWPIUYDJTOSD-RCCFBDPRSA-N 2 1 285.435 2.260 10 0 CEAEMP CCC1(CC)C[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288776 179264527 /nfs/dbraw/zinc/26/45/27/179264527.db2.gz DHMRHYKNEZBZKE-UHFFFAOYSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[C@@H]1CN[C@](C)(CC)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259056 179257322 /nfs/dbraw/zinc/25/73/22/179257322.db2.gz LPIZUJNNCSGGQP-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(CC)CN1CC1CC[NH+](C)CC1 ZINC000086259056 179257324 /nfs/dbraw/zinc/25/73/24/179257324.db2.gz LPIZUJNNCSGGQP-HZPDHXFCSA-N 2 1 267.461 2.181 10 0 CEAEMP c1ccc([C@@H]2CN([C@@H]3CC[N@H+](C4CC4)C3)CCC[NH2+]2)cc1 ZINC000086291983 179266071 /nfs/dbraw/zinc/26/60/71/179266071.db2.gz UEMNFOYMAIZEIA-MSOLQXFVSA-N 2 1 285.435 2.260 10 0 CEAEMP CCC1(CC)CN(C[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291640 179266225 /nfs/dbraw/zinc/26/62/25/179266225.db2.gz JJFKASIPXBEFNH-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP Cc1ncsc1C[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086297141 179268029 /nfs/dbraw/zinc/26/80/29/179268029.db2.gz QSVQJJTYKONMST-AWEZNQCLSA-N 2 1 265.426 2.416 10 0 CEAEMP Cc1ncsc1C[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086297141 179268031 /nfs/dbraw/zinc/26/80/31/179268031.db2.gz QSVQJJTYKONMST-AWEZNQCLSA-N 2 1 265.426 2.416 10 0 CEAEMP CC[C@]1(C)C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296842 179268191 /nfs/dbraw/zinc/26/81/91/179268191.db2.gz FUFPYBPGVKMRBQ-CYBMUJFWSA-N 2 1 253.415 2.150 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296842 179268192 /nfs/dbraw/zinc/26/81/92/179268192.db2.gz FUFPYBPGVKMRBQ-CYBMUJFWSA-N 2 1 253.415 2.150 10 0 CEAEMP CC(C)C[C@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296835 179268296 /nfs/dbraw/zinc/26/82/96/179268296.db2.gz MCZKYGBOKNDQPI-ZDUSSCGKSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)C[C@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296835 179268298 /nfs/dbraw/zinc/26/82/98/179268298.db2.gz MCZKYGBOKNDQPI-ZDUSSCGKSA-N 2 1 267.442 2.396 10 0 CEAEMP C[N@H+]1CCC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818785 179347676 /nfs/dbraw/zinc/34/76/76/179347676.db2.gz ZTJKYNLKZGXFJB-CQSZACIVSA-N 2 1 267.461 2.323 10 0 CEAEMP C[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818785 179347681 /nfs/dbraw/zinc/34/76/81/179347681.db2.gz ZTJKYNLKZGXFJB-CQSZACIVSA-N 3 1 267.461 2.323 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818785 179347685 /nfs/dbraw/zinc/34/76/85/179347685.db2.gz ZTJKYNLKZGXFJB-CQSZACIVSA-N 3 1 267.461 2.323 10 0 CEAEMP CCN(C1CCCCC1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819224 179348395 /nfs/dbraw/zinc/34/83/95/179348395.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+](C1CCCCC1)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819224 179348396 /nfs/dbraw/zinc/34/83/96/179348396.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+](C1CCCCC1)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819224 179348397 /nfs/dbraw/zinc/34/83/97/179348397.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCCC1)[C@@]1(CN)CCC[N@H+](C)CC1 ZINC000086819224 179348398 /nfs/dbraw/zinc/34/83/98/179348398.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCCC1)[C@@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819224 179348399 /nfs/dbraw/zinc/34/83/99/179348399.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CN(Cc1cccc(F)c1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819259 179348724 /nfs/dbraw/zinc/34/87/24/179348724.db2.gz RRVWLYVWUQZPLL-INIZCTEOSA-N 2 1 279.403 2.071 10 0 CEAEMP CC1CC[NH+](CCCN[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086817372 179344334 /nfs/dbraw/zinc/34/43/34/179344334.db2.gz PVVCHEBMLZVNEL-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC1CC[NH+](CCC[NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086817372 179344336 /nfs/dbraw/zinc/34/43/36/179344336.db2.gz PVVCHEBMLZVNEL-INIZCTEOSA-N 3 1 267.461 2.182 10 0 CEAEMP CC1CC[NH+](CCC[NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086817372 179344338 /nfs/dbraw/zinc/34/43/38/179344338.db2.gz PVVCHEBMLZVNEL-INIZCTEOSA-N 3 1 267.461 2.182 10 0 CEAEMP C[N@H+]1CCC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817349 179344909 /nfs/dbraw/zinc/34/49/09/179344909.db2.gz JVMXMIZUSDXZTP-CYBMUJFWSA-N 2 1 267.461 2.370 10 0 CEAEMP C[N@@H+]1CCC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817349 179344910 /nfs/dbraw/zinc/34/49/10/179344910.db2.gz JVMXMIZUSDXZTP-CYBMUJFWSA-N 3 1 267.461 2.370 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817349 179344912 /nfs/dbraw/zinc/34/49/12/179344912.db2.gz JVMXMIZUSDXZTP-CYBMUJFWSA-N 3 1 267.461 2.370 10 0 CEAEMP CC(C)C[C@H](CN[C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817430 179344915 /nfs/dbraw/zinc/34/49/15/179344915.db2.gz VLRHFEFXGQSLJQ-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)N(C)C ZINC000086817430 179344917 /nfs/dbraw/zinc/34/49/17/179344917.db2.gz VLRHFEFXGQSLJQ-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)N(C)C ZINC000086817430 179344919 /nfs/dbraw/zinc/34/49/19/179344919.db2.gz VLRHFEFXGQSLJQ-HUUCEWRRSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[NH+](C)CC1 ZINC000086817118 179345149 /nfs/dbraw/zinc/34/51/49/179345149.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@H+](C)CC1 ZINC000086817118 179345152 /nfs/dbraw/zinc/34/51/52/179345152.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817118 179345155 /nfs/dbraw/zinc/34/51/55/179345155.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[NH+](C)CC1 ZINC000086817118 179345156 /nfs/dbraw/zinc/34/51/56/179345156.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 3 1 267.461 2.325 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[NH+](C)CC1 ZINC000086817118 179345159 /nfs/dbraw/zinc/34/51/59/179345159.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 3 1 267.461 2.325 10 0 CEAEMP C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817118 179345160 /nfs/dbraw/zinc/34/51/60/179345160.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 3 1 267.461 2.325 10 0 CEAEMP C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817118 179345162 /nfs/dbraw/zinc/34/51/62/179345162.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 3 1 267.461 2.325 10 0 CEAEMP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086817244 179345195 /nfs/dbraw/zinc/34/51/95/179345195.db2.gz HESVDIAGIHSLHR-CQSZACIVSA-N 2 1 278.396 2.278 10 0 CEAEMP C[N@H+]1CCC[C@](CO)([NH2+]C2CCCCCC2)CC1 ZINC000086834336 179349616 /nfs/dbraw/zinc/34/96/16/179349616.db2.gz NYQVDBSNBDVXTA-HNNXBMFYSA-N 2 1 254.418 2.146 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000086818518 179346332 /nfs/dbraw/zinc/34/63/32/179346332.db2.gz JXMQMJMHNIBCEK-AWEZNQCLSA-N 2 1 295.471 2.097 10 0 CEAEMP Cc1[nH+]ccn1-c1ccc(N[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC000086818536 179346634 /nfs/dbraw/zinc/34/66/34/179346634.db2.gz QLYNCILQHAWAJS-AWEZNQCLSA-N 2 1 285.395 2.472 10 0 CEAEMP Cc1[nH+]ccn1-c1ccc(N[C@H]2CCC[N@H+](C)CC2)cn1 ZINC000086818536 179346635 /nfs/dbraw/zinc/34/66/35/179346635.db2.gz QLYNCILQHAWAJS-AWEZNQCLSA-N 2 1 285.395 2.472 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2OC)CC1 ZINC000086848305 179356341 /nfs/dbraw/zinc/35/63/41/179356341.db2.gz SGSCLCSBWHADQI-KRWDZBQOSA-N 2 1 291.439 2.335 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840918 179352663 /nfs/dbraw/zinc/35/26/63/179352663.db2.gz SIHSWGOUTJDDID-MRXNPFEDSA-N 2 1 261.413 2.477 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCc2cscn2)CC1 ZINC000086845129 179355460 /nfs/dbraw/zinc/35/54/60/179355460.db2.gz NVRRTJDBBBVHTF-LBPRGKRZSA-N 2 1 253.415 2.150 10 0 CEAEMP CC[N@@H+]1CCC[C@@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868246 179360190 /nfs/dbraw/zinc/36/01/90/179360190.db2.gz FUQFYMMMUQNLKZ-CQSZACIVSA-N 2 1 268.426 2.075 10 0 CEAEMP CC[N@H+]1CCC[C@@](CO)([NH2+]Cc2cccs2)CC1 ZINC000086868246 179360193 /nfs/dbraw/zinc/36/01/93/179360193.db2.gz FUQFYMMMUQNLKZ-CQSZACIVSA-N 2 1 268.426 2.075 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874894 179364443 /nfs/dbraw/zinc/36/44/43/179364443.db2.gz KZTYETKHVSWCJS-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848924 179358560 /nfs/dbraw/zinc/35/85/60/179358560.db2.gz OUZPRQVDHCFUFJ-KRWDZBQOSA-N 2 1 279.472 2.312 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848924 179358562 /nfs/dbraw/zinc/35/85/62/179358562.db2.gz OUZPRQVDHCFUFJ-KRWDZBQOSA-N 2 1 279.472 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848924 179358563 /nfs/dbraw/zinc/35/85/63/179358563.db2.gz OUZPRQVDHCFUFJ-KRWDZBQOSA-N 2 1 279.472 2.312 10 0 CEAEMP CCC[N@H+]1CCC[C@H](N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000086851189 179359227 /nfs/dbraw/zinc/35/92/27/179359227.db2.gz RZAXKGNFHYLIKL-PMPSAXMXSA-N 2 1 267.461 2.310 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000086851189 179359228 /nfs/dbraw/zinc/35/92/28/179359228.db2.gz RZAXKGNFHYLIKL-PMPSAXMXSA-N 3 1 267.461 2.310 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000086851189 179359229 /nfs/dbraw/zinc/35/92/29/179359229.db2.gz RZAXKGNFHYLIKL-PMPSAXMXSA-N 3 1 267.461 2.310 10 0 CEAEMP CCC[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000086851189 179359230 /nfs/dbraw/zinc/35/92/30/179359230.db2.gz RZAXKGNFHYLIKL-PMPSAXMXSA-N 3 1 267.461 2.310 10 0 CEAEMP CCC[NH+]1CCC[C@H]([N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000086851189 179359232 /nfs/dbraw/zinc/35/92/32/179359232.db2.gz RZAXKGNFHYLIKL-PMPSAXMXSA-N 3 1 267.461 2.310 10 0 CEAEMP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCCOCC2)CC1 ZINC000086913248 179367092 /nfs/dbraw/zinc/36/70/92/179367092.db2.gz DQMXTCKYTONDAO-HUUCEWRRSA-N 2 1 254.418 2.397 10 0 CEAEMP CC[C@@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086920917 179368048 /nfs/dbraw/zinc/36/80/48/179368048.db2.gz IUMIFPZCPYTOBG-CABCVRRESA-N 2 1 254.418 2.003 10 0 CEAEMP C[NH2+][C@H](CSC1CCCC1)Cc1c[nH+]ccc1N ZINC000087144875 179397120 /nfs/dbraw/zinc/39/71/20/179397120.db2.gz IEWPXJIVCXRMBX-LBPRGKRZSA-N 2 1 265.426 2.470 10 0 CEAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc3nnccc32)CC1 ZINC000616600971 348530979 /nfs/dbraw/zinc/53/09/79/348530979.db2.gz JMXXLCKGGSWISC-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc3nnccc32)CC1 ZINC000616600971 348530982 /nfs/dbraw/zinc/53/09/82/348530982.db2.gz JMXXLCKGGSWISC-CYBMUJFWSA-N 2 1 270.380 2.158 10 0 CEAEMP CC[N@@H+](Cc1cccc(OC)n1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089115542 179708848 /nfs/dbraw/zinc/70/88/48/179708848.db2.gz AVJKONJOGVIURP-OCCSQVGLSA-N 2 1 263.385 2.040 10 0 CEAEMP COc1ccc(OC)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090334725 179964535 /nfs/dbraw/zinc/96/45/35/179964535.db2.gz SAHWCRJYQUJGCC-HIFRSBDPSA-N 2 1 290.407 2.134 10 0 CEAEMP COc1ccc(OC)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090334725 179964536 /nfs/dbraw/zinc/96/45/36/179964536.db2.gz SAHWCRJYQUJGCC-HIFRSBDPSA-N 2 1 290.407 2.134 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000090566016 180005859 /nfs/dbraw/zinc/00/58/59/180005859.db2.gz BEWSHMPTOUAMMA-DLBZAZTESA-N 2 1 274.408 2.059 10 0 CEAEMP C[C@@]1(C[N@@H+](Cc2cccs2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606830 180011325 /nfs/dbraw/zinc/01/13/25/180011325.db2.gz FHSOEOFTWPQNMH-UONOGXRCSA-N 2 1 266.410 2.076 10 0 CEAEMP C(C[N@H+]1CCC[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000090694567 180025854 /nfs/dbraw/zinc/02/58/54/180025854.db2.gz WMLFHOMWCLPKBH-GJZGRUSLSA-N 2 1 252.402 2.020 10 0 CEAEMP C(C[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000090694565 180026127 /nfs/dbraw/zinc/02/61/27/180026127.db2.gz WMLFHOMWCLPKBH-LSDHHAIUSA-N 2 1 252.402 2.020 10 0 CEAEMP CC[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876222 180051039 /nfs/dbraw/zinc/05/10/39/180051039.db2.gz DKXCHTDHKXWTAE-HNNXBMFYSA-N 2 1 260.381 2.064 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878340 180051673 /nfs/dbraw/zinc/05/16/73/180051673.db2.gz NWMRJCNIXYBCRM-XOKHGSTOSA-N 2 1 286.419 2.453 10 0 CEAEMP C[C@@H]1C[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)[C@@H](C)CC[NH2+]1 ZINC000090896198 180057417 /nfs/dbraw/zinc/05/74/17/180057417.db2.gz IDPLFZQJMUPKML-XUJVJEKNSA-N 2 1 278.371 2.202 10 0 CEAEMP C[C@@H]1C[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)[C@@H](C)CC[NH2+]1 ZINC000090896198 180057418 /nfs/dbraw/zinc/05/74/18/180057418.db2.gz IDPLFZQJMUPKML-XUJVJEKNSA-N 2 1 278.371 2.202 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907813 180062457 /nfs/dbraw/zinc/06/24/57/180062457.db2.gz PCGVPZIYOWKVDQ-MELADBBJSA-N 2 1 254.418 2.406 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000091404887 180147621 /nfs/dbraw/zinc/14/76/21/180147621.db2.gz YUMXRLRIYIZQNV-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@@H](O)C(C)(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000091405783 180147803 /nfs/dbraw/zinc/14/78/03/180147803.db2.gz WOMFTOIMBFCPDR-CQSZACIVSA-N 2 1 268.445 2.344 10 0 CEAEMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000624122335 350200193 /nfs/dbraw/zinc/20/01/93/350200193.db2.gz ONUQCDANPQBGFG-KBUPBQIOSA-N 2 1 266.429 2.121 10 0 CEAEMP CC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@@](C)(CC)[NH+](C)C ZINC000091570975 180195563 /nfs/dbraw/zinc/19/55/63/180195563.db2.gz ZTTPRWIYUFAGNK-GOEBONIOSA-N 2 1 295.475 2.185 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@@H](O)c1c[nH+]ccc1N ZINC000091573398 180196706 /nfs/dbraw/zinc/19/67/06/180196706.db2.gz DQNPETYIBCGXRP-KBPBESRZSA-N 2 1 251.374 2.208 10 0 CEAEMP CCCn1ncnc1C[C@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCC1 ZINC000091606874 180203926 /nfs/dbraw/zinc/20/39/26/180203926.db2.gz RYKOOCJYUZPBTO-HOCLYGCPSA-N 2 1 293.459 2.083 10 0 CEAEMP CC[C@](C)([C@@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609746 180205073 /nfs/dbraw/zinc/20/50/73/180205073.db2.gz LHRNBRIKZZXRPL-NVXWUHKLSA-N 2 1 290.455 2.449 10 0 CEAEMP CC[C@](C)([C@H](Cc1cc[nH+]c(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609644 180205557 /nfs/dbraw/zinc/20/55/57/180205557.db2.gz HHGHCIRONNKFGQ-DOTOQJQBSA-N 2 1 290.455 2.449 10 0 CEAEMP CCC[NH2+][C@@H](Cc1ncnn1CC)C1([NH+](C)C)CCCC1 ZINC000091638503 180212246 /nfs/dbraw/zinc/21/22/46/180212246.db2.gz HOXHWVQPTKCZJU-AWEZNQCLSA-N 2 1 293.459 2.083 10 0 CEAEMP CCC[N@@H+](Cc1ccc(C(N)=O)cc1)C1CCC([NH3+])CC1 ZINC000091852415 180273011 /nfs/dbraw/zinc/27/30/11/180273011.db2.gz GWWNLSXHKWGKRQ-UHFFFAOYSA-N 2 1 289.423 2.267 10 0 CEAEMP C[N@@H+](Cc1nnc(C(C)(C)C)o1)C1CCC([NH3+])CC1 ZINC000091847782 180271439 /nfs/dbraw/zinc/27/14/39/180271439.db2.gz KDYFTUPNESKLKW-UHFFFAOYSA-N 2 1 266.389 2.069 10 0 CEAEMP CC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850828 180272045 /nfs/dbraw/zinc/27/20/45/180272045.db2.gz AYUJUUOHWRQQNR-FXQLRMTLSA-N 2 1 295.471 2.368 10 0 CEAEMP CC[N@@H+](Cc1c(C)noc1C)C1CCC([NH3+])CC1 ZINC000091850088 180272264 /nfs/dbraw/zinc/27/22/64/180272264.db2.gz GKJPJNPZDRZVSU-UHFFFAOYSA-N 2 1 251.374 2.383 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)N(CC)CC)CC1 ZINC000091870141 180277392 /nfs/dbraw/zinc/27/73/92/180277392.db2.gz HAIVXGJOLCHQRG-UHFFFAOYSA-N 2 1 283.460 2.097 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CCc2scnc2C)CC1 ZINC000091872871 180278180 /nfs/dbraw/zinc/27/81/80/180278180.db2.gz AQUSKVWJKVOIFY-UHFFFAOYSA-N 2 1 267.442 2.456 10 0 CEAEMP Cc1c[nH+]c(N)nc1N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000091876895 180278677 /nfs/dbraw/zinc/27/86/77/180278677.db2.gz HSHXNRDSAYHVKY-AWEZNQCLSA-N 2 1 285.395 2.472 10 0 CEAEMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996218 180302443 /nfs/dbraw/zinc/30/24/43/180302443.db2.gz ZOZGXGWBIPMCGJ-OCCSQVGLSA-N 2 1 263.385 2.045 10 0 CEAEMP CCC[NH2+]Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000092003329 180304165 /nfs/dbraw/zinc/30/41/65/180304165.db2.gz XYWYHUKGUYZPIS-CVEARBPZSA-N 2 1 288.439 2.254 10 0 CEAEMP C[NH2+]Cc1cc(F)ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092002217 180304708 /nfs/dbraw/zinc/30/47/08/180304708.db2.gz IBSXUWBUMYFFBP-CABCVRRESA-N 2 1 277.387 2.218 10 0 CEAEMP CC(C)C[NH2+]CCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003641 180304989 /nfs/dbraw/zinc/30/49/89/180304989.db2.gz ALZFXNYNFXJYGK-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000092082170 180319843 /nfs/dbraw/zinc/31/98/43/180319843.db2.gz KORMHJBRMZRMBG-BETUJISGSA-N 2 1 275.396 2.062 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1CCC[N@@H+](C)C1 ZINC000110629704 186307180 /nfs/dbraw/zinc/30/71/80/186307180.db2.gz JBAQXDVLBCSSQN-SECBINFHSA-N 2 1 278.331 2.033 10 0 CEAEMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110942657 186334862 /nfs/dbraw/zinc/33/48/62/186334862.db2.gz NEJOSDPZSARARS-CQSZACIVSA-N 2 1 277.412 2.281 10 0 CEAEMP CC[C@@H]1CN([C@@H](c2cccc(OC)c2)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000110703918 186314107 /nfs/dbraw/zinc/31/41/07/186314107.db2.gz ORPVWMJRFRRPAG-FRFSOERESA-N 2 1 291.439 2.110 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2cccc(C)c2)CC[N@H+]1C ZINC000110703803 186314444 /nfs/dbraw/zinc/31/44/44/186314444.db2.gz IOYQCNVWIJIRCA-HOTGVXAUSA-N 2 1 261.413 2.021 10 0 CEAEMP Cc1cc([C@H](C[NH3+])N2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000110707212 186314795 /nfs/dbraw/zinc/31/47/95/186314795.db2.gz SIMJRILUOOJOEE-YGRLFVJLSA-N 2 1 267.442 2.001 10 0 CEAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704916 186314800 /nfs/dbraw/zinc/31/48/00/186314800.db2.gz WPZXZWVNKPMRGH-HOCLYGCPSA-N 2 1 275.440 2.409 10 0 CEAEMP C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711747 186315832 /nfs/dbraw/zinc/31/58/32/186315832.db2.gz NSPSFPRERFUEAK-HOCLYGCPSA-N 2 1 275.440 2.143 10 0 CEAEMP Cc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000110712168 186316311 /nfs/dbraw/zinc/31/63/11/186316311.db2.gz YTKYYAOITCHZKH-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[NH2+][C@@H](CN1CC[N@@H+](C)[C@@H](CC)C1)C(C)(C)C ZINC000110715859 186316588 /nfs/dbraw/zinc/31/65/88/186316588.db2.gz OCUJVALZHBDAHF-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)C[C@@H]1C ZINC000110722173 186317123 /nfs/dbraw/zinc/31/71/23/186317123.db2.gz QCPZYWHSXHRMDW-ZFWWWQNUSA-N 2 1 274.412 2.080 10 0 CEAEMP C[NH2+][C@@H](CCN1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000110744339 186318640 /nfs/dbraw/zinc/31/86/40/186318640.db2.gz DDDIGDVKLYYNCF-BBRMVZONSA-N 2 1 279.403 2.112 10 0 CEAEMP C[C@@H]1CN(CC2(C[NH2+]C3CC3)CCCCC2)CC[N@H+]1C ZINC000110744963 186318825 /nfs/dbraw/zinc/31/88/25/186318825.db2.gz VAEXHQHDCXFOCN-OAHLLOKOSA-N 2 1 279.472 2.325 10 0 CEAEMP Cc1ccccc1[C@@H]([NH3+])CCN1CC[N@H+](C)C(C)(C)C1 ZINC000110746765 186319202 /nfs/dbraw/zinc/31/92/02/186319202.db2.gz BNPWIUDHRUWHIW-INIZCTEOSA-N 2 1 275.440 2.411 10 0 CEAEMP CC[C@@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@H+]1C ZINC000110753817 186319973 /nfs/dbraw/zinc/31/99/73/186319973.db2.gz BSGKGFZWEAHTAL-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110753817 186319975 /nfs/dbraw/zinc/31/99/75/186319975.db2.gz BSGKGFZWEAHTAL-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)CCN1C ZINC000110753817 186319976 /nfs/dbraw/zinc/31/99/76/186319976.db2.gz BSGKGFZWEAHTAL-GOSISDBHSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[N@H+]1CCN(c2nc(C)c([C@@H](C)[NH3+])s2)C[C@@H]1C ZINC000110758560 186320184 /nfs/dbraw/zinc/32/01/84/186320184.db2.gz CTZPKOGIGJPNEM-VHSXEESVSA-N 2 1 268.430 2.002 10 0 CEAEMP CCN1CC[N@H+]([C@@H](C)CCC[NH2+]CC(C)C)C[C@@H]1C ZINC000110752486 186321189 /nfs/dbraw/zinc/32/11/89/186321189.db2.gz IQCJVSGMXPIQFW-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1CN(CC[NH2+][C@@H](C)CCC(C)C)CC[N@H+]1C ZINC000110757113 186322049 /nfs/dbraw/zinc/32/20/49/186322049.db2.gz KLRTVIXXNFOJCU-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000111140581 186357043 /nfs/dbraw/zinc/35/70/43/186357043.db2.gz YZQKBOLBROXMAP-UHFFFAOYSA-N 2 1 261.413 2.428 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000111140581 186357045 /nfs/dbraw/zinc/35/70/45/186357045.db2.gz YZQKBOLBROXMAP-UHFFFAOYSA-N 2 1 261.413 2.428 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+](C)CCN(C)C ZINC000111149556 186358924 /nfs/dbraw/zinc/35/89/24/186358924.db2.gz RPUSFPOYTDAORL-UHFFFAOYSA-N 2 1 263.429 2.178 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)CCN(C)C ZINC000111149556 186358925 /nfs/dbraw/zinc/35/89/25/186358925.db2.gz RPUSFPOYTDAORL-UHFFFAOYSA-N 2 1 263.429 2.178 10 0 CEAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C ZINC000111164246 186363717 /nfs/dbraw/zinc/36/37/17/186363717.db2.gz LBDWIHRLCRCGKY-DZGCQCFKSA-N 2 1 254.418 2.123 10 0 CEAEMP C[N@@H+](CC1CCOCC1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111164140 186364236 /nfs/dbraw/zinc/36/42/36/186364236.db2.gz CSBRHPVBXGSBEF-HNNXBMFYSA-N 2 1 275.396 2.412 10 0 CEAEMP C[N@@H+](CC1CCOCC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172947 186364620 /nfs/dbraw/zinc/36/46/20/186364620.db2.gz LGFBHUMQOOZZIY-KRWDZBQOSA-N 2 1 298.471 2.140 10 0 CEAEMP C[NH2+][C@H](CC[N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111172677 186365843 /nfs/dbraw/zinc/36/58/43/186365843.db2.gz WSJVNFBNORLTAP-CQSZACIVSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)[NH2+]C[C@]1(C[N@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324390 186397332 /nfs/dbraw/zinc/39/73/32/186397332.db2.gz NGKLGQUSAFIELF-SJORKVTESA-N 2 1 298.471 2.018 10 0 CEAEMP COCC[N@@H+](C[C@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111327275 186398120 /nfs/dbraw/zinc/39/81/20/186398120.db2.gz KCIFTSBCGRSQLR-QGZVFWFLSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[N@@H+](C)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111324797 186398516 /nfs/dbraw/zinc/39/85/16/186398516.db2.gz AHMVGNKRUADUBA-HNNXBMFYSA-N 2 1 256.434 2.371 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccc(F)cc2)CCCOC1 ZINC000111328765 186399522 /nfs/dbraw/zinc/39/95/22/186399522.db2.gz NZWPGDHISKGMRI-MRXNPFEDSA-N 2 1 280.387 2.274 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccc(F)cc2)CCCOC1 ZINC000111328765 186399525 /nfs/dbraw/zinc/39/95/25/186399525.db2.gz NZWPGDHISKGMRI-MRXNPFEDSA-N 2 1 280.387 2.274 10 0 CEAEMP CC[N@@H+](Cc1cccs1)C[C@]1(C[NH3+])CCCOC1 ZINC000111327734 186399852 /nfs/dbraw/zinc/39/98/52/186399852.db2.gz RNUNPPZSOUMSQV-CQSZACIVSA-N 2 1 268.426 2.326 10 0 CEAEMP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1O ZINC000211474307 539827208 /nfs/dbraw/zinc/82/72/08/539827208.db2.gz VLNWWACFCVPASP-CQSZACIVSA-N 2 1 278.396 2.174 10 0 CEAEMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1O ZINC000211474307 539827212 /nfs/dbraw/zinc/82/72/12/539827212.db2.gz VLNWWACFCVPASP-CQSZACIVSA-N 2 1 278.396 2.174 10 0 CEAEMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)ccc1O ZINC000211474307 539827216 /nfs/dbraw/zinc/82/72/16/539827216.db2.gz VLNWWACFCVPASP-CQSZACIVSA-N 2 1 278.396 2.174 10 0 CEAEMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)ccc1O ZINC000211474307 539827220 /nfs/dbraw/zinc/82/72/20/539827220.db2.gz VLNWWACFCVPASP-CQSZACIVSA-N 2 1 278.396 2.174 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCF)C2)[nH+]1 ZINC000132897138 366178379 /nfs/dbraw/zinc/17/83/79/366178379.db2.gz KWDWXWNDMISDIY-CYBMUJFWSA-N 2 1 251.349 2.483 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCF)C2)[nH+]1 ZINC000132897138 366178387 /nfs/dbraw/zinc/17/83/87/366178387.db2.gz KWDWXWNDMISDIY-CYBMUJFWSA-N 2 1 251.349 2.483 10 0 CEAEMP C[N@@H+](CCCN[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539788 366234223 /nfs/dbraw/zinc/23/42/23/366234223.db2.gz YUYJCBBBPQJYDF-QGZVFWFLSA-N 2 1 275.440 2.240 10 0 CEAEMP C[N@H+](CCC[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539788 366234225 /nfs/dbraw/zinc/23/42/25/366234225.db2.gz YUYJCBBBPQJYDF-QGZVFWFLSA-N 3 1 275.440 2.240 10 0 CEAEMP C[N@@H+](CCC[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539788 366234226 /nfs/dbraw/zinc/23/42/26/366234226.db2.gz YUYJCBBBPQJYDF-QGZVFWFLSA-N 3 1 275.440 2.240 10 0 CEAEMP CN(CCC[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539788 366234228 /nfs/dbraw/zinc/23/42/28/366234228.db2.gz YUYJCBBBPQJYDF-QGZVFWFLSA-N 2 1 275.440 2.240 10 0 CEAEMP NC(=O)c1c[nH+]c2ccccc2c1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038051117 283389400 /nfs/dbraw/zinc/38/94/00/283389400.db2.gz DWWYOAFWAAXQFI-GXTWGEPZSA-N 2 1 284.363 2.016 10 0 CEAEMP Cc1cc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])ccc1Br ZINC000685965603 540664188 /nfs/dbraw/zinc/66/41/88/540664188.db2.gz KZPMLTXXKQDYTO-ZYHUDNBSSA-N 2 1 269.186 2.162 10 0 CEAEMP C[C@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150771518 366597369 /nfs/dbraw/zinc/59/73/69/366597369.db2.gz RWXNHSBGCUMMRV-AEFFLSMTSA-N 2 1 288.435 2.312 10 0 CEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2nccn2c1 ZINC000175045545 368092871 /nfs/dbraw/zinc/09/28/71/368092871.db2.gz HFUDOWSZBQZRTG-HUUCEWRRSA-N 2 1 298.390 2.033 10 0 CEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2C=CCCC2)CC1 ZINC000246313419 370944677 /nfs/dbraw/zinc/94/46/77/370944677.db2.gz YWDLMEJQBMBKFW-GOEBONIOSA-N 2 1 266.429 2.120 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C12CCOCC2 ZINC000248917281 371269762 /nfs/dbraw/zinc/26/97/62/371269762.db2.gz DLOMBGUIDGTBJX-FXUDXRNXSA-N 2 1 296.455 2.033 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C12CCOCC2 ZINC000248917281 371269767 /nfs/dbraw/zinc/26/97/67/371269767.db2.gz DLOMBGUIDGTBJX-FXUDXRNXSA-N 2 1 296.455 2.033 10 0 CEAEMP CC[N@H+]1CCC[C@@](O)(CN2CCC[C@H]2c2ccncc2)C1 ZINC000253388859 371513078 /nfs/dbraw/zinc/51/30/78/371513078.db2.gz GKAZWMNTJLDKBU-IRXDYDNUSA-N 2 1 289.423 2.065 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]12 ZINC000261584022 371663218 /nfs/dbraw/zinc/66/32/18/371663218.db2.gz SAAKWKVXGUNGCE-XHVZSJERSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]12 ZINC000261584022 371663222 /nfs/dbraw/zinc/66/32/22/371663222.db2.gz SAAKWKVXGUNGCE-XHVZSJERSA-N 2 1 252.308 2.134 10 0 CEAEMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261705946 371707528 /nfs/dbraw/zinc/70/75/28/371707528.db2.gz IYYWYKYXPCFQIV-JYJNAYRXSA-N 2 1 274.408 2.351 10 0 CEAEMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000261874572 371756288 /nfs/dbraw/zinc/75/62/88/371756288.db2.gz DODBKRHGPSAUGD-KFWWJZLASA-N 2 1 266.429 2.313 10 0 CEAEMP Fc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(F)c1 ZINC000261882710 371761204 /nfs/dbraw/zinc/76/12/04/371761204.db2.gz FNRFMISZRVNKRK-BMFZPTHFSA-N 2 1 296.361 2.212 10 0 CEAEMP CC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261988626 371790522 /nfs/dbraw/zinc/79/05/22/371790522.db2.gz SCLJGRCZPWFGAU-MRXNPFEDSA-N 2 1 290.407 2.437 10 0 CEAEMP CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)nc(C)n1 ZINC000272865732 373686786 /nfs/dbraw/zinc/68/67/86/373686786.db2.gz MVZQISBTRGBRKS-CABCVRRESA-N 2 1 274.412 2.410 10 0 CEAEMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093493316 184684349 /nfs/dbraw/zinc/68/43/49/184684349.db2.gz FJQVGKBEPHMGLC-XHSDSOJGSA-N 3 1 267.461 2.229 10 0 CEAEMP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000092957677 135077615 /nfs/dbraw/zinc/07/76/15/135077615.db2.gz FBORPFHERXNERL-JKSUJKDBSA-N 2 1 273.424 2.115 10 0 CEAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCCO2)cc1 ZINC000399636638 400565008 /nfs/dbraw/zinc/56/50/08/400565008.db2.gz XBCQXOWTSLHHSJ-SOABOVLPSA-N 2 1 286.419 2.276 10 0 CEAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCCO2)cc1 ZINC000399636638 400565012 /nfs/dbraw/zinc/56/50/12/400565012.db2.gz XBCQXOWTSLHHSJ-SOABOVLPSA-N 2 1 286.419 2.276 10 0 CEAEMP CCn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000192571284 153212236 /nfs/dbraw/zinc/21/22/36/153212236.db2.gz OZQRPDCRBADLEU-UHFFFAOYSA-N 2 1 299.422 2.319 10 0 CEAEMP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159905842 162318737 /nfs/dbraw/zinc/31/87/37/162318737.db2.gz ZGCPWYIPXRGDJC-NXEZZACHSA-N 2 1 284.201 2.408 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177030678 165184971 /nfs/dbraw/zinc/18/49/71/165184971.db2.gz ZGLJTJDJHHOINB-INIZCTEOSA-N 2 1 295.471 2.050 10 0 CEAEMP CC(C)c1nc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000178971362 165264514 /nfs/dbraw/zinc/26/45/14/165264514.db2.gz HCYPRCLKEPKCMS-ZDUSSCGKSA-N 2 1 278.400 2.330 10 0 CEAEMP CC(C)c1nc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000178971362 165264521 /nfs/dbraw/zinc/26/45/21/165264521.db2.gz HCYPRCLKEPKCMS-ZDUSSCGKSA-N 2 1 278.400 2.330 10 0 CEAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178980994 165268289 /nfs/dbraw/zinc/26/82/89/165268289.db2.gz HLDSGQRSRUBJKL-OAHLLOKOSA-N 3 1 276.428 2.082 10 0 CEAEMP C[N@@H+](CC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022222830 171379166 /nfs/dbraw/zinc/37/91/66/171379166.db2.gz OYIVNLOQIRXFGU-UHFFFAOYSA-N 2 1 275.396 2.348 10 0 CEAEMP CC[N@@H+]1CC[C@@H](CNc2[nH+]c(C)cc(C)c2C(N)=S)C1 ZINC000040514882 174306356 /nfs/dbraw/zinc/30/63/56/174306356.db2.gz KUFXNIRKOTUMNH-LBPRGKRZSA-N 2 1 292.452 2.086 10 0 CEAEMP CC[N@H+]1CC[C@@H](CNc2[nH+]c(C)cc(C)c2C(N)=S)C1 ZINC000040514882 174306357 /nfs/dbraw/zinc/30/63/57/174306357.db2.gz KUFXNIRKOTUMNH-LBPRGKRZSA-N 2 1 292.452 2.086 10 0 CEAEMP c1ccc(OCC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000043458097 175050453 /nfs/dbraw/zinc/05/04/53/175050453.db2.gz GTZIAHFDFWZXKT-AWEZNQCLSA-N 2 1 260.381 2.139 10 0 CEAEMP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818308 175113033 /nfs/dbraw/zinc/11/30/33/175113033.db2.gz ZQCAMCNAHSJPHR-DOTOQJQBSA-N 2 1 275.440 2.363 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCC(CC)CC1)OCCO2 ZINC000043913466 175124470 /nfs/dbraw/zinc/12/44/70/175124470.db2.gz HJVROMHOPHOJFJ-JKSUJKDBSA-N 2 1 296.455 2.382 10 0 CEAEMP CC[N@H+](Cc1ccccc1)[C@@](C)(C[NH3+])CCOC ZINC000045043153 175294668 /nfs/dbraw/zinc/29/46/68/175294668.db2.gz YUBXSMWAIWSOQY-OAHLLOKOSA-N 2 1 250.386 2.262 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)[C@@](C)(C[NH3+])CCOC ZINC000045043153 175294669 /nfs/dbraw/zinc/29/46/69/175294669.db2.gz YUBXSMWAIWSOQY-OAHLLOKOSA-N 2 1 250.386 2.262 10 0 CEAEMP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1cccc(C)c1 ZINC000045043386 175294868 /nfs/dbraw/zinc/29/48/68/175294868.db2.gz OFEKBJOVFDDRPK-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccc(C)c1 ZINC000045043386 175294870 /nfs/dbraw/zinc/29/48/70/175294870.db2.gz OFEKBJOVFDDRPK-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP C[N@@H+](CCC(=O)Nc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068533 175300726 /nfs/dbraw/zinc/30/07/26/175300726.db2.gz PAPHOZBBPXMNOY-UHFFFAOYSA-N 2 1 277.412 2.452 10 0 CEAEMP CCC[NH2+]C1CCN(C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000045135354 175313140 /nfs/dbraw/zinc/31/31/40/175313140.db2.gz GJZOWKULQFVJAW-HNNXBMFYSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000045135558 175313548 /nfs/dbraw/zinc/31/35/48/175313548.db2.gz GBJQBZYWYYZCRI-HNNXBMFYSA-N 2 1 295.471 2.132 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045368261 175362998 /nfs/dbraw/zinc/36/29/98/175362998.db2.gz UNBXVFSJZJZQTG-OAHLLOKOSA-N 2 1 271.449 2.132 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386551 175372796 /nfs/dbraw/zinc/37/27/96/175372796.db2.gz BUCHURCXHLSWJM-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386551 175372798 /nfs/dbraw/zinc/37/27/98/175372798.db2.gz BUCHURCXHLSWJM-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387599 175373023 /nfs/dbraw/zinc/37/30/23/175373023.db2.gz BUFFXRJBXFLWGO-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]CC)C(=O)OC)C1CC1 ZINC000045387599 175373024 /nfs/dbraw/zinc/37/30/24/175373024.db2.gz BUFFXRJBXFLWGO-OAHLLOKOSA-N 2 1 270.417 2.182 10 0 CEAEMP C[N@@H+](Cc1ccc(CC[NH3+])cc1)[C@@H]1CCSC1 ZINC000070542582 175977938 /nfs/dbraw/zinc/97/79/38/175977938.db2.gz IAGKHYDJSLPGIT-CQSZACIVSA-N 2 1 250.411 2.125 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+](CCOC)C2CC2)C1 ZINC000071123980 176035225 /nfs/dbraw/zinc/03/52/25/176035225.db2.gz HWJPUQGDPCVPBB-DZGCQCFKSA-N 2 1 254.418 2.395 10 0 CEAEMP C[C@@H](C[NH3+])CN1CCC[N@H+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000071147453 176043418 /nfs/dbraw/zinc/04/34/18/176043418.db2.gz AXXHMLCWCJSBRX-OWCLPIDISA-N 2 1 267.461 2.168 10 0 CEAEMP CCOc1ccc(N)cc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071187797 176062022 /nfs/dbraw/zinc/06/20/22/176062022.db2.gz UVSWDEPRNGVCDW-ZDUSSCGKSA-N 2 1 277.412 2.051 10 0 CEAEMP CCOc1ccc(N)cc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071187797 176062023 /nfs/dbraw/zinc/06/20/23/176062023.db2.gz UVSWDEPRNGVCDW-ZDUSSCGKSA-N 2 1 277.412 2.051 10 0 CEAEMP CCOc1ccc(N)cc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071187797 176062024 /nfs/dbraw/zinc/06/20/24/176062024.db2.gz UVSWDEPRNGVCDW-ZDUSSCGKSA-N 2 1 277.412 2.051 10 0 CEAEMP CCOc1ccc(N)cc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071187797 176062025 /nfs/dbraw/zinc/06/20/25/176062025.db2.gz UVSWDEPRNGVCDW-ZDUSSCGKSA-N 2 1 277.412 2.051 10 0 CEAEMP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1C ZINC000071188853 176063617 /nfs/dbraw/zinc/06/36/17/176063617.db2.gz DNHXINZNXWMPKA-WBVHZDCISA-N 2 1 275.440 2.139 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188914 176063805 /nfs/dbraw/zinc/06/38/05/176063805.db2.gz VEKYICADVUSPIG-FPCVCCKLSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189006 176064851 /nfs/dbraw/zinc/06/48/51/176064851.db2.gz SHDZSXLJPIVJBK-KLHDSHLOSA-N 2 1 267.461 2.037 10 0 CEAEMP CC[NH2+]Cc1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190067 176065890 /nfs/dbraw/zinc/06/58/90/176065890.db2.gz GWFLSGXPGCGHQQ-CYBMUJFWSA-N 2 1 279.403 2.323 10 0 CEAEMP CC[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190587 176066871 /nfs/dbraw/zinc/06/68/71/176066871.db2.gz FLUJEAHBDVTLQY-PVAVHDDUSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@@H]([C@@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190587 176066872 /nfs/dbraw/zinc/06/68/72/176066872.db2.gz FLUJEAHBDVTLQY-PVAVHDDUSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@@H]([C@@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190587 176066873 /nfs/dbraw/zinc/06/68/73/176066873.db2.gz FLUJEAHBDVTLQY-PVAVHDDUSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191198 176070715 /nfs/dbraw/zinc/07/07/15/176070715.db2.gz HPQCUHCRTOFYJN-KFWWJZLASA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191198 176070716 /nfs/dbraw/zinc/07/07/16/176070716.db2.gz HPQCUHCRTOFYJN-KFWWJZLASA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071191198 176070718 /nfs/dbraw/zinc/07/07/18/176070718.db2.gz HPQCUHCRTOFYJN-KFWWJZLASA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@@H]1CCC(=O)[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071191198 176070719 /nfs/dbraw/zinc/07/07/19/176070719.db2.gz HPQCUHCRTOFYJN-KFWWJZLASA-N 2 1 266.429 2.265 10 0 CEAEMP C[N@@H+](CCNc1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071192410 176073478 /nfs/dbraw/zinc/07/34/78/176073478.db2.gz QMDJARJVNALDNZ-ZDUSSCGKSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071192410 176073479 /nfs/dbraw/zinc/07/34/79/176073479.db2.gz QMDJARJVNALDNZ-ZDUSSCGKSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH+](CCNc1ccc(F)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071192410 176073480 /nfs/dbraw/zinc/07/34/80/176073480.db2.gz QMDJARJVNALDNZ-ZDUSSCGKSA-N 2 1 265.376 2.121 10 0 CEAEMP C[NH2+][C@@H]1CCCc2nc(N(C)C[C@@H]3CC[N@@H+](C)C3)sc21 ZINC000071192516 176074927 /nfs/dbraw/zinc/07/49/27/176074927.db2.gz YUBPFWMSXGSOIH-VXGBXAGGSA-N 2 1 294.468 2.128 10 0 CEAEMP NC(=[NH2+])c1cc(F)ccc1C[N@@H+](CCO)C1CCCCC1 ZINC000071267880 176101436 /nfs/dbraw/zinc/10/14/36/176101436.db2.gz DGPPHAQDMOVQDV-UHFFFAOYSA-N 2 1 293.386 2.237 10 0 CEAEMP CN1CCC[C@@H]([N@@H+](C)CCCCCC[NH2+]C2CC2)C1 ZINC000071289775 176110288 /nfs/dbraw/zinc/11/02/88/176110288.db2.gz LOTHYSOLXIMJEJ-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+]1CCN(C)[C@@H](CC)C1 ZINC000071290102 176110589 /nfs/dbraw/zinc/11/05/89/176110589.db2.gz XZGVSIXUZRRTCV-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCCN1CC[N@H+](C)[C@@H](CC)C1 ZINC000071290102 176110591 /nfs/dbraw/zinc/11/05/91/176110591.db2.gz XZGVSIXUZRRTCV-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCCCCCN1CC[N@@H+](C)[C@@H](CC)C1 ZINC000071290102 176110593 /nfs/dbraw/zinc/11/05/93/176110593.db2.gz XZGVSIXUZRRTCV-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP c1csc([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260288 415729687 /nfs/dbraw/zinc/72/96/87/415729687.db2.gz KNAAJEJRWCKMPI-OLZOCXBDSA-N 2 1 293.436 2.191 10 0 CEAEMP c1csc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260288 415729691 /nfs/dbraw/zinc/72/96/91/415729691.db2.gz KNAAJEJRWCKMPI-OLZOCXBDSA-N 2 1 293.436 2.191 10 0 CEAEMP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000343585565 274283256 /nfs/dbraw/zinc/28/32/56/274283256.db2.gz BVOQBXMWBOMXRS-RRCSTGOVSA-N 2 1 266.429 2.406 10 0 CEAEMP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261971511 277142176 /nfs/dbraw/zinc/14/21/76/277142176.db2.gz QPXZSIZSCQVZNL-BFHYXJOUSA-N 2 1 254.418 2.169 10 0 CEAEMP CO[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000261558907 277292479 /nfs/dbraw/zinc/29/24/79/277292479.db2.gz ATLKZNMZWKGNII-JHJVBQTASA-N 2 1 276.371 2.250 10 0 CEAEMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000261558907 277292481 /nfs/dbraw/zinc/29/24/81/277292481.db2.gz ATLKZNMZWKGNII-JHJVBQTASA-N 2 1 276.371 2.250 10 0 CEAEMP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173976245 280494848 /nfs/dbraw/zinc/49/48/48/280494848.db2.gz BDMRWAYPYGNVJM-AWEZNQCLSA-N 2 1 283.375 2.146 10 0 CEAEMP CC(C)(C)[C@@H](CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062037988 518917154 /nfs/dbraw/zinc/91/71/54/518917154.db2.gz NAMRVXCPRMDEPS-OAHLLOKOSA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068621117 519736196 /nfs/dbraw/zinc/73/61/96/519736196.db2.gz BEZQFBIAGLICKZ-CJNGLKHVSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)C1CCCCC1)C(N)=O ZINC000068621117 519736200 /nfs/dbraw/zinc/73/62/00/519736200.db2.gz BEZQFBIAGLICKZ-CJNGLKHVSA-N 2 1 283.460 2.272 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@@H+](C)C1CCN(C)CC1 ZINC000052419763 519743114 /nfs/dbraw/zinc/74/31/14/519743114.db2.gz HJBPESQAEJHXDS-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419763 519743116 /nfs/dbraw/zinc/74/31/16/519743116.db2.gz HJBPESQAEJHXDS-UHFFFAOYSA-N 3 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419763 519743119 /nfs/dbraw/zinc/74/31/19/519743119.db2.gz HJBPESQAEJHXDS-UHFFFAOYSA-N 3 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@@H+](C)CC ZINC000054602287 519907404 /nfs/dbraw/zinc/90/74/04/519907404.db2.gz TWBVTZJNZZJBGX-MQVJKMGUSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CC)CCOC)cc1 ZINC000052542769 519996930 /nfs/dbraw/zinc/99/69/30/519996930.db2.gz KLLVDQRUUJUYNB-UHFFFAOYSA-N 2 1 250.386 2.264 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000052511402 520003441 /nfs/dbraw/zinc/00/34/41/520003441.db2.gz DTFUQKRDHRUPIB-ZDUSSCGKSA-N 2 1 250.386 2.263 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453161 520010821 /nfs/dbraw/zinc/01/08/21/520010821.db2.gz VQYPFVWPRRDUOV-LBPRGKRZSA-N 2 1 254.399 2.326 10 0 CEAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](CC)CCOC)c1 ZINC000052542710 520006268 /nfs/dbraw/zinc/00/62/68/520006268.db2.gz HOPCAWNQNRNBCX-UHFFFAOYSA-N 2 1 280.412 2.143 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638263 520045239 /nfs/dbraw/zinc/04/52/39/520045239.db2.gz RXFVJFVIMBRNMP-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@H](C)CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000061272850 520064069 /nfs/dbraw/zinc/06/40/69/520064069.db2.gz AEHWAMUNOBAXER-AWEZNQCLSA-N 2 1 283.460 2.145 10 0 CEAEMP CC[NH2+][C@@H](C)c1sc(N2CCC[N@@H+](C)CC2)nc1C ZINC000054899076 520081717 /nfs/dbraw/zinc/08/17/17/520081717.db2.gz QVIPZZXOFVHSAF-NSHDSACASA-N 2 1 282.457 2.264 10 0 CEAEMP CCCc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH2+]CC ZINC000054968939 521532160 /nfs/dbraw/zinc/53/21/60/521532160.db2.gz AJXIWANEGOZEMZ-UHFFFAOYSA-N 2 1 296.484 2.347 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761631 521559238 /nfs/dbraw/zinc/55/92/38/521559238.db2.gz FEANCIBHVDPMBN-UHFFFAOYSA-N 2 1 278.400 2.003 10 0 CEAEMP CC(C)C[N@H+](CCN(C)C)[C@H](C)CC[NH2+]C1CC1 ZINC000052503424 519716856 /nfs/dbraw/zinc/71/68/56/519716856.db2.gz RPXISYQQTKONLT-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)[C@H](C)CC[NH2+]C1CC1 ZINC000052503424 519716857 /nfs/dbraw/zinc/71/68/57/519716857.db2.gz RPXISYQQTKONLT-CQSZACIVSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000052477736 519720848 /nfs/dbraw/zinc/72/08/48/519720848.db2.gz BISLSODCKXBBLD-CQSZACIVSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481029 519746333 /nfs/dbraw/zinc/74/63/33/519746333.db2.gz VBPCZYJLOBJEOH-SJORKVTESA-N 2 1 291.439 2.307 10 0 CEAEMP CCCN1CCC([N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054628830 519844935 /nfs/dbraw/zinc/84/49/35/519844935.db2.gz DWLMHDGBVNRRIV-VHRNVKJDSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054628830 519844937 /nfs/dbraw/zinc/84/49/37/519844937.db2.gz DWLMHDGBVNRRIV-VHRNVKJDSA-N 3 1 265.445 2.076 10 0 CEAEMP CCC[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054628830 519844938 /nfs/dbraw/zinc/84/49/38/519844938.db2.gz DWLMHDGBVNRRIV-VHRNVKJDSA-N 3 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)COC ZINC000054628940 519908568 /nfs/dbraw/zinc/90/85/68/519908568.db2.gz ORFWAWAVJOTAJW-FFHGMXDLSA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[NH2+]CC1(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)CCOCC1 ZINC000052197569 519911287 /nfs/dbraw/zinc/91/12/87/519911287.db2.gz ZIVHNBQLLYDIOM-CVEARBPZSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2C[C@@H](C)OC[C@@H]2CC)CCOCC1 ZINC000052197569 519911292 /nfs/dbraw/zinc/91/12/92/519911292.db2.gz ZIVHNBQLLYDIOM-CVEARBPZSA-N 2 1 298.471 2.282 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](CCOC)[C@H](C)C2CC2)CCOCC1 ZINC000052183370 519912684 /nfs/dbraw/zinc/91/26/84/519912684.db2.gz AMHWHXNXMBAWDP-OAHLLOKOSA-N 2 1 298.471 2.140 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(C)o2)O1 ZINC000052455893 519977848 /nfs/dbraw/zinc/97/78/48/519977848.db2.gz ZTUXBZUPZNZGFM-HIFRSBDPSA-N 2 1 266.385 2.177 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623387 520044411 /nfs/dbraw/zinc/04/44/11/520044411.db2.gz RTEXMTWGPGLDNS-DZKIICNBSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@H](C)[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623387 520044413 /nfs/dbraw/zinc/04/44/13/520044413.db2.gz RTEXMTWGPGLDNS-DZKIICNBSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647800 520112790 /nfs/dbraw/zinc/11/27/90/520112790.db2.gz IJHPVTPRJFDTSO-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647800 520112801 /nfs/dbraw/zinc/11/28/01/520112801.db2.gz IJHPVTPRJFDTSO-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635786 520236827 /nfs/dbraw/zinc/23/68/27/520236827.db2.gz RQTQPYZGSQNCMA-DSJMHWKBSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635786 520236829 /nfs/dbraw/zinc/23/68/29/520236829.db2.gz RQTQPYZGSQNCMA-DSJMHWKBSA-N 2 1 283.460 2.129 10 0 CEAEMP CCCO[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC2)C1 ZINC000052371479 520272000 /nfs/dbraw/zinc/27/20/00/520272000.db2.gz CQZMFHMBGOZPIV-OAHLLOKOSA-N 2 1 254.418 2.410 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@H+](Cc1cccs1)C1CC1 ZINC000062739722 520309963 /nfs/dbraw/zinc/30/99/63/520309963.db2.gz JFFSHMXORXTPIB-LBPRGKRZSA-N 2 1 254.399 2.076 10 0 CEAEMP CCO[C@@H](C[NH3+])C[N@@H+](Cc1cccs1)C1CC1 ZINC000062739722 520309968 /nfs/dbraw/zinc/30/99/68/520309968.db2.gz JFFSHMXORXTPIB-LBPRGKRZSA-N 2 1 254.399 2.076 10 0 CEAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c[nH]c(C)n1 ZINC000054797981 520631978 /nfs/dbraw/zinc/63/19/78/520631978.db2.gz KBIPDOSRFDGZSA-GFCCVEGCSA-N 2 1 252.406 2.318 10 0 CEAEMP CC[N@@H+](CCOC(C)C)Cc1ccccc1C[NH3+] ZINC000049259282 521126145 /nfs/dbraw/zinc/12/61/45/521126145.db2.gz JHCFUXGFNKNZCH-UHFFFAOYSA-N 2 1 250.386 2.392 10 0 CEAEMP CC[N@@H+](CCOC)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557115 521136066 /nfs/dbraw/zinc/13/60/66/521136066.db2.gz GSYCQVPRWMOFGY-UHFFFAOYSA-N 2 1 256.434 2.498 10 0 CEAEMP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052510502 521228106 /nfs/dbraw/zinc/22/81/06/521228106.db2.gz UAPRMCDDNQZOLZ-GJZGRUSLSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052510502 521228116 /nfs/dbraw/zinc/22/81/16/521228116.db2.gz UAPRMCDDNQZOLZ-GJZGRUSLSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)CC1(C[NH3+])CCOCC1 ZINC000052181158 521372167 /nfs/dbraw/zinc/37/21/67/521372167.db2.gz ZCPIZXHZOLNDRX-UHFFFAOYSA-N 2 1 262.397 2.264 10 0 CEAEMP CCC(CC)[N@H+](CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052573252 521562702 /nfs/dbraw/zinc/56/27/02/521562702.db2.gz IQUXULNMNKLACH-UHFFFAOYSA-N 2 1 285.457 2.500 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052573252 521562711 /nfs/dbraw/zinc/56/27/11/521562711.db2.gz IQUXULNMNKLACH-UHFFFAOYSA-N 2 1 285.457 2.500 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@]2(C)C2CC2)c1C ZINC000068696413 521812394 /nfs/dbraw/zinc/81/23/94/521812394.db2.gz UHMFMNSREGTFBC-QGZVFWFLSA-N 2 1 289.423 2.281 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517756 522058333 /nfs/dbraw/zinc/05/83/33/522058333.db2.gz DNCVMDNBJBTHCN-HRCADAONSA-N 2 1 266.429 2.408 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@H+](CCN(C)C)CC(C)C)o1 ZINC000052503316 522117868 /nfs/dbraw/zinc/11/78/68/522117868.db2.gz OFUDNDCCVFFGQB-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](CCN(C)C)CC(C)C)o1 ZINC000052503316 522117877 /nfs/dbraw/zinc/11/78/77/522117877.db2.gz OFUDNDCCVFFGQB-UHFFFAOYSA-N 2 1 267.417 2.019 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382403 522160808 /nfs/dbraw/zinc/16/08/08/522160808.db2.gz CKHFNOYCRCCBNM-LBPRGKRZSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382403 522160817 /nfs/dbraw/zinc/16/08/17/522160817.db2.gz CKHFNOYCRCCBNM-LBPRGKRZSA-N 2 1 274.364 2.373 10 0 CEAEMP C[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063122037 522490547 /nfs/dbraw/zinc/49/05/47/522490547.db2.gz XBRGPOCNDHNBSS-CVEARBPZSA-N 3 1 267.461 2.038 10 0 CEAEMP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1cscn1 ZINC000050953896 522786856 /nfs/dbraw/zinc/78/68/56/522786856.db2.gz YTLPELUNYYUXEO-GFCCVEGCSA-N 2 1 253.415 2.497 10 0 CEAEMP C[N@@H+](CCC[C@H]1CCCC[NH2+]1)Cc1cscn1 ZINC000050953896 522786861 /nfs/dbraw/zinc/78/68/61/522786861.db2.gz YTLPELUNYYUXEO-GFCCVEGCSA-N 2 1 253.415 2.497 10 0 CEAEMP CC[C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087181 523164451 /nfs/dbraw/zinc/16/44/51/523164451.db2.gz GWNUMXAELPDOJN-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP CC[C@@H]1CCCC[N@H+]1CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052447626 523174776 /nfs/dbraw/zinc/17/47/76/523174776.db2.gz YRTZUAVNYNEIHT-OAHLLOKOSA-N 2 1 279.432 2.041 10 0 CEAEMP CN(Cc1ccc(Cl)s1)[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000048971718 523240135 /nfs/dbraw/zinc/24/01/35/523240135.db2.gz YJDVKYYEUBMZDI-AWEZNQCLSA-N 2 1 299.871 2.256 10 0 CEAEMP CCn1cc[nH+]c1N(CCC[NH3+])c1cccc(OC)c1 ZINC000050607889 523546826 /nfs/dbraw/zinc/54/68/26/523546826.db2.gz UNBZJHAUCVITAY-UHFFFAOYSA-N 2 1 274.368 2.399 10 0 CEAEMP CC[C@]1(C)C[NH2+][C@@H](C(C)C)CN1CCn1cc[nH+]c1C ZINC000068704264 523577972 /nfs/dbraw/zinc/57/79/72/523577972.db2.gz MZGHTGZUUHLOPT-HZPDHXFCSA-N 2 1 278.444 2.290 10 0 CEAEMP C[N@H+](Cc1occc1C[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000052540874 523617313 /nfs/dbraw/zinc/61/73/13/523617313.db2.gz VMBGASIFETVIRT-CQSZACIVSA-N 2 1 264.369 2.142 10 0 CEAEMP COCC[N@H+](C)CCn1c2ccc(N)cc2[nH+]c1C(C)C ZINC000061380860 523619594 /nfs/dbraw/zinc/61/95/94/523619594.db2.gz UWDIANLIBZMRCQ-UHFFFAOYSA-N 2 1 290.411 2.320 10 0 CEAEMP COCC[N@@H+](C)CCn1c2ccc(N)cc2[nH+]c1C(C)C ZINC000061380860 523619603 /nfs/dbraw/zinc/61/96/03/523619603.db2.gz UWDIANLIBZMRCQ-UHFFFAOYSA-N 2 1 290.411 2.320 10 0 CEAEMP COCC[N@@H+](Cc1cc(C[NH3+])c(C)o1)[C@@H](C)C1CC1 ZINC000052545353 523739512 /nfs/dbraw/zinc/73/95/12/523739512.db2.gz XIYIYGISLCFQKF-NSHDSACASA-N 2 1 266.385 2.294 10 0 CEAEMP COCC[N@H+](Cc1cc(C[NH2+]C(C)C)no1)CC(C)C ZINC000052508561 523740550 /nfs/dbraw/zinc/74/05/50/523740550.db2.gz MVMFCIOSESPHGQ-UHFFFAOYSA-N 2 1 283.416 2.277 10 0 CEAEMP C[C@@H]1CCC[C@@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125539 524268033 /nfs/dbraw/zinc/26/80/33/524268033.db2.gz JEGDVSPHMBXHHZ-QKPAOTATSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087186 524291230 /nfs/dbraw/zinc/29/12/30/524291230.db2.gz YWSQDKIISWPNOF-ZFWWWQNUSA-N 2 1 260.381 2.064 10 0 CEAEMP C[C@H]1CC[C@@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125528 524333527 /nfs/dbraw/zinc/33/35/27/524333527.db2.gz QZMRSUKXUBXGFQ-JONQDZQNSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@@H]1CCC[C@@](C[NH2+]CCCCCO)([NH+](C)C)C1 ZINC000051021030 524339184 /nfs/dbraw/zinc/33/91/84/524339184.db2.gz WCTWMJJYHABZQK-HUUCEWRRSA-N 2 1 256.434 2.249 10 0 CEAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+]1CCCN(C)CC1 ZINC000052424314 524456418 /nfs/dbraw/zinc/45/64/18/524456418.db2.gz KRYUMYJUTCMONT-AWEZNQCLSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+]1CCCCC[C@@H]1C ZINC000068647938 524863006 /nfs/dbraw/zinc/86/30/06/524863006.db2.gz NMCJFMFRNQQMFW-XEZPLFJOSA-N 2 1 281.444 2.026 10 0 CEAEMP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+]1CCCCC[C@@H]1C ZINC000068647938 524863015 /nfs/dbraw/zinc/86/30/15/524863015.db2.gz NMCJFMFRNQQMFW-XEZPLFJOSA-N 2 1 281.444 2.026 10 0 CEAEMP C[C@@H]1CN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000069374996 524919448 /nfs/dbraw/zinc/91/94/48/524919448.db2.gz QDCSBYMINHKXJV-PNESKVBLSA-N 2 1 293.377 2.072 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052382411 524981709 /nfs/dbraw/zinc/98/17/09/524981709.db2.gz KDSXCMXBWDDKTM-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052382411 524981718 /nfs/dbraw/zinc/98/17/18/524981718.db2.gz KDSXCMXBWDDKTM-LLVKDONJSA-N 2 1 260.337 2.112 10 0 CEAEMP [NH3+]Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000061702263 527250863 /nfs/dbraw/zinc/25/08/63/527250863.db2.gz OPUCGSSADPTLMS-QGZVFWFLSA-N 2 1 283.375 2.194 10 0 CEAEMP [NH3+]Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000052417114 527253042 /nfs/dbraw/zinc/25/30/42/527253042.db2.gz RCNDOSBEXYSXDC-UHFFFAOYSA-N 2 1 285.391 2.056 10 0 CEAEMP [NH3+]Cc1ncccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000061656601 527266081 /nfs/dbraw/zinc/26/60/81/527266081.db2.gz IBJRCDIMFDTGOZ-MRXNPFEDSA-N 2 1 268.364 2.272 10 0 CEAEMP CCc1nc(C2([NH2+]CC3CC[NH+](C)CC3)CCCC2)no1 ZINC000892852247 627811631 /nfs/dbraw/zinc/81/16/31/627811631.db2.gz YJNNDEPMYFRHHC-UHFFFAOYSA-N 2 1 292.427 2.333 10 0 CEAEMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000173913264 639885092 /nfs/dbraw/zinc/88/50/92/639885092.db2.gz NWQIYEZJUFNBKU-WBVHZDCISA-N 2 1 276.424 2.168 10 0 CEAEMP C[NH+](C)CCN1CCC[C@@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096071418 185087101 /nfs/dbraw/zinc/08/71/01/185087101.db2.gz PDTZKFSIBWLBRO-QGZVFWFLSA-N 2 1 291.439 2.272 10 0 CEAEMP Cc1ccc(N2N=[O+]C(=O)C2C[NH2+]Cc2ccccc2)cc1 ZINC000083251057 178369240 /nfs/dbraw/zinc/36/92/40/178369240.db2.gz NBFIWSLHONTDAT-UHFFFAOYSA-O 2 1 296.350 2.255 10 0 CEAEMP C[N@@H+](CCCNC(=O)[C@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000136199890 344384349 /nfs/dbraw/zinc/38/43/49/344384349.db2.gz VSQWPUBXFMFZKO-KRWDZBQOSA-N 2 1 295.471 2.289 10 0 CEAEMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1O)Cc1ccccc1 ZINC000226224880 344548447 /nfs/dbraw/zinc/54/84/47/344548447.db2.gz YTMOTYIEYPORQJ-IAGOWNOFSA-N 2 1 276.424 2.402 10 0 CEAEMP C[C@](O)(C[NH3+])CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300359 179010640 /nfs/dbraw/zinc/01/06/40/179010640.db2.gz MVQCYOUCIQTUDT-ARFHVFGLSA-N 2 1 268.445 2.379 10 0 CEAEMP C[C@@H](C[C@@](C)(O)C[NH3+])[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300948 179010219 /nfs/dbraw/zinc/01/02/19/179010219.db2.gz DJNFVFPUQHEXLC-NWANDNLSSA-N 2 1 254.418 2.129 10 0 CEAEMP C[C@@](O)(C[NH3+])CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300361 179010226 /nfs/dbraw/zinc/01/02/26/179010226.db2.gz MVQCYOUCIQTUDT-XHSDSOJGSA-N 2 1 268.445 2.379 10 0 CEAEMP OCCCC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403707 179052895 /nfs/dbraw/zinc/05/28/95/179052895.db2.gz PCQXOXHPSSVXHY-HNNXBMFYSA-N 2 1 254.418 2.003 10 0 CEAEMP C1CC([C@@H]2CCCCC[N@H+]2C2CCOCC2)CC[NH2+]1 ZINC000085403691 179053010 /nfs/dbraw/zinc/05/30/10/179053010.db2.gz YOVWCWYNWUVFIG-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP COC[C@@H](C)[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403830 179053308 /nfs/dbraw/zinc/05/33/08/179053308.db2.gz OUBMEMVRTJSHGV-UKRRQHHQSA-N 2 1 254.418 2.266 10 0 CEAEMP CCc1nc2c(n1CCC[N@H+]1CCCC[C@H]1C)CC[NH2+]C2 ZINC000085568457 179094842 /nfs/dbraw/zinc/09/48/42/179094842.db2.gz LCRMENUIWBQGBR-CQSZACIVSA-N 2 1 290.455 2.356 10 0 CEAEMP Cc1nccn1CC[N@@H+]1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624306 179106625 /nfs/dbraw/zinc/10/66/25/179106625.db2.gz IHRMUHFNVMZVJQ-DZGCQCFKSA-N 2 1 278.444 2.290 10 0 CEAEMP CCCc1nc2c(n1[C@@H]1CCC[N@@H+](CC)C1)CC[NH2+]C2 ZINC000085572802 179098671 /nfs/dbraw/zinc/09/86/71/179098671.db2.gz UUUXNKUEUXFZRC-CYBMUJFWSA-N 2 1 276.428 2.138 10 0 CEAEMP CC[N@@H+](C)CCn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085606592 179100335 /nfs/dbraw/zinc/10/03/35/179100335.db2.gz RSROGGQEYJERNZ-UHFFFAOYSA-N 2 1 284.407 2.148 10 0 CEAEMP CCC[C@H]1C[N@@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612234 179103391 /nfs/dbraw/zinc/10/33/91/179103391.db2.gz MGRLPYHPYMDQJZ-LBPRGKRZSA-N 2 1 282.350 2.419 10 0 CEAEMP CC(C)C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)[C@@H](C)CC[NH2+]1 ZINC000085621904 179105154 /nfs/dbraw/zinc/10/51/54/179105154.db2.gz MIBMVEGIBPWOKB-ZNMIVQPWSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[C@H](C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085671498 179110942 /nfs/dbraw/zinc/11/09/42/179110942.db2.gz MUCHKUVUHSVGLK-AJNGGQMLSA-N 2 1 268.445 2.366 10 0 CEAEMP CC(C)[N@@H+](C)CCCCN1CC[NH2+]C2(CCCC2)C1 ZINC000086146721 179238407 /nfs/dbraw/zinc/23/84/07/179238407.db2.gz NFWRONUNMWQRFO-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+](C)CCCC[NH+]1CCNC2(CCCC2)C1 ZINC000086146721 179238409 /nfs/dbraw/zinc/23/84/09/179238409.db2.gz NFWRONUNMWQRFO-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@@H+](C)CCCC[NH+]1CCNC2(CCCC2)C1 ZINC000086146721 179238412 /nfs/dbraw/zinc/23/84/12/179238412.db2.gz NFWRONUNMWQRFO-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@@H+]1CCNC2(CCCC2)C1 ZINC000086146721 179238416 /nfs/dbraw/zinc/23/84/16/179238416.db2.gz NFWRONUNMWQRFO-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[NH+](C)CCCC[N@H+]1CCNC2(CCCC2)C1 ZINC000086146721 179238418 /nfs/dbraw/zinc/23/84/18/179238418.db2.gz NFWRONUNMWQRFO-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171853 179243626 /nfs/dbraw/zinc/24/36/26/179243626.db2.gz JQFLXVCVTCLRTR-VQHPVUNQSA-N 2 1 281.488 2.283 10 0 CEAEMP CC(C)[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172119 179244432 /nfs/dbraw/zinc/24/44/32/179244432.db2.gz BPWNBHVDIQHWJK-PMPSAXMXSA-N 2 1 267.461 2.035 10 0 CEAEMP CCC1(CC)CN(C[C@@H]2CC[N@@H+](C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086223167 179251570 /nfs/dbraw/zinc/25/15/70/179251570.db2.gz CQBDGRSKPSVKBM-HZPDHXFCSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259218 179257948 /nfs/dbraw/zinc/25/79/48/179257948.db2.gz MYPFLPHGAWYLNW-PMPSAXMXSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259263 179258101 /nfs/dbraw/zinc/25/81/01/179258101.db2.gz NMODZGHGFFQCMW-RBSFLKMASA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259323 179258446 /nfs/dbraw/zinc/25/84/46/179258446.db2.gz QRDHGLOZGBZUOS-BBWFWOEESA-N 2 1 279.472 2.179 10 0 CEAEMP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259199 179258814 /nfs/dbraw/zinc/25/88/14/179258814.db2.gz MSFHGSRIGSZLDM-JFIYKMOQSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261039 179259743 /nfs/dbraw/zinc/25/97/43/179259743.db2.gz XRHTTZFGBSNZSM-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261039 179259745 /nfs/dbraw/zinc/25/97/45/179259745.db2.gz XRHTTZFGBSNZSM-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258981 179256727 /nfs/dbraw/zinc/25/67/27/179256727.db2.gz OCCCFKPOWXVNRM-IAGOWNOFSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CC1CC[NH+](C)CC1 ZINC000086258981 179256729 /nfs/dbraw/zinc/25/67/29/179256729.db2.gz OCCCFKPOWXVNRM-IAGOWNOFSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1CNC2(CCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259074 179257011 /nfs/dbraw/zinc/25/70/11/179257011.db2.gz HWCQCKFIQOJVHY-INIZCTEOSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1CC1CC[NH+](C)CC1 ZINC000086259074 179257012 /nfs/dbraw/zinc/25/70/12/179257012.db2.gz HWCQCKFIQOJVHY-INIZCTEOSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1CNC2(CCCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259025 179257232 /nfs/dbraw/zinc/25/72/32/179257232.db2.gz FVWWWXMTTKHTNE-OAHLLOKOSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1C[NH2+]C2(CCCCC2)CN1CC1CC[NH+](C)CC1 ZINC000086259025 179257234 /nfs/dbraw/zinc/25/72/34/179257234.db2.gz FVWWWXMTTKHTNE-OAHLLOKOSA-N 2 1 279.472 2.325 10 0 CEAEMP CC[C@@H]1CNC(C)(C)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086259191 179257604 /nfs/dbraw/zinc/25/76/04/179257604.db2.gz NKYCTNHGZRJLMF-OAHLLOKOSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+]C(C)(C)CN1CC1CC[NH+](CC)CC1 ZINC000086259191 179257606 /nfs/dbraw/zinc/25/76/06/179257606.db2.gz NKYCTNHGZRJLMF-OAHLLOKOSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259243 179257647 /nfs/dbraw/zinc/25/76/47/179257647.db2.gz ZCCCPRRITZEIML-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCCN[C@@H](CC(C)C)C2)CC1 ZINC000086291494 179265996 /nfs/dbraw/zinc/26/59/96/179265996.db2.gz GYOIIMWWNGSTKD-KRWDZBQOSA-N 2 1 281.488 2.428 10 0 CEAEMP CC[NH+]1CCC(CN2CCC[NH2+][C@@H](CC(C)C)C2)CC1 ZINC000086291494 179265998 /nfs/dbraw/zinc/26/59/98/179265998.db2.gz GYOIIMWWNGSTKD-KRWDZBQOSA-N 2 1 281.488 2.428 10 0 CEAEMP c1ccc([C@H]2CN([C@@H]3CC[N@H+](C4CC4)C3)CCC[NH2+]2)cc1 ZINC000086291985 179266582 /nfs/dbraw/zinc/26/65/82/179266582.db2.gz UEMNFOYMAIZEIA-QZTJIDSGSA-N 2 1 285.435 2.260 10 0 CEAEMP CCC1(CC)CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000086291637 179266723 /nfs/dbraw/zinc/26/67/23/179266723.db2.gz JJFKASIPXBEFNH-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)[C@H]1Cc2ccccc21 ZINC000086488855 179302307 /nfs/dbraw/zinc/30/23/07/179302307.db2.gz NLRXLFQZRVKHAM-GJZGRUSLSA-N 2 1 253.349 2.134 10 0 CEAEMP C[C@H]1C[NH+]=C(NCC[N@@H+](C)C2CCCC2)SC1 ZINC000086633538 179315006 /nfs/dbraw/zinc/31/50/06/179315006.db2.gz JTYYAEWLEBXZEP-NSHDSACASA-N 2 1 255.431 2.189 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819541 179348604 /nfs/dbraw/zinc/34/86/04/179348604.db2.gz IKUSGCBUIXYVEE-ROUUACIJSA-N 2 1 287.451 2.289 10 0 CEAEMP CCN(C1CCCCC1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819223 179348768 /nfs/dbraw/zinc/34/87/68/179348768.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+](C1CCCCC1)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819223 179348769 /nfs/dbraw/zinc/34/87/69/179348769.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@@H+](C1CCCCC1)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819223 179348770 /nfs/dbraw/zinc/34/87/70/179348770.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCCC1)[C@]1(CN)CCC[N@H+](C)CC1 ZINC000086819223 179348772 /nfs/dbraw/zinc/34/87/72/179348772.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[NH+](C1CCCCC1)[C@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819223 179348773 /nfs/dbraw/zinc/34/87/73/179348773.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCN(c1ccccc1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819230 179348832 /nfs/dbraw/zinc/34/88/32/179348832.db2.gz BAACUYMLPNRWEJ-MRXNPFEDSA-N 2 1 261.413 2.326 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817199 179344351 /nfs/dbraw/zinc/34/43/51/179344351.db2.gz RWQZACIQPPRCGH-IRXDYDNUSA-N 2 1 275.440 2.363 10 0 CEAEMP CN(C)[C@@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817199 179344352 /nfs/dbraw/zinc/34/43/52/179344352.db2.gz RWQZACIQPPRCGH-IRXDYDNUSA-N 2 1 275.440 2.363 10 0 CEAEMP CN(C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086817199 179344354 /nfs/dbraw/zinc/34/43/54/179344354.db2.gz RWQZACIQPPRCGH-IRXDYDNUSA-N 2 1 275.440 2.363 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]CCCOCc2ccco2)CC1 ZINC000086817378 179344905 /nfs/dbraw/zinc/34/49/05/179344905.db2.gz HLTMMFVNJIREHJ-CQSZACIVSA-N 2 1 266.385 2.260 10 0 CEAEMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818560 179346570 /nfs/dbraw/zinc/34/65/70/179346570.db2.gz JMAAWMPIOYBSJO-TZMCWYRMSA-N 2 1 290.411 2.312 10 0 CEAEMP CC[NH+](CC)CCn1cc(N[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC000086818788 179346759 /nfs/dbraw/zinc/34/67/59/179346759.db2.gz CYSZEBWWJFYZDC-HNNXBMFYSA-N 2 1 293.459 2.121 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847727 179356361 /nfs/dbraw/zinc/35/63/61/179356361.db2.gz QRKRPUPEQPXNHD-DLBZAZTESA-N 2 1 297.487 2.079 10 0 CEAEMP CCC(CC)N(C)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086847162 179356559 /nfs/dbraw/zinc/35/65/59/179356559.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[N@H+](C)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847162 179356561 /nfs/dbraw/zinc/35/65/61/179356561.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[N@@H+](C)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086847162 179356562 /nfs/dbraw/zinc/35/65/62/179356562.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[NH+](C)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086847162 179356564 /nfs/dbraw/zinc/35/65/64/179356564.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP CCC(CC)[NH+](C)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086847162 179356565 /nfs/dbraw/zinc/35/65/65/179356565.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 2 1 255.450 2.310 10 0 CEAEMP COCCN(CC(C)C)[C@@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086848011 179356607 /nfs/dbraw/zinc/35/66/07/179356607.db2.gz XEEZIWQOUOZEOD-KRWDZBQOSA-N 2 1 299.503 2.183 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847108 179357039 /nfs/dbraw/zinc/35/70/39/179357039.db2.gz PMZNLMZDABTTIA-KRWDZBQOSA-N 2 1 290.455 2.105 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847100 179357163 /nfs/dbraw/zinc/35/71/63/179357163.db2.gz RXNNTHMVURJNLI-QGZVFWFLSA-N 2 1 290.455 2.107 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086834999 179350518 /nfs/dbraw/zinc/35/05/18/179350518.db2.gz SIWJSHRDDJTLKF-OAHLLOKOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086834999 179350519 /nfs/dbraw/zinc/35/05/19/179350519.db2.gz SIWJSHRDDJTLKF-OAHLLOKOSA-N 3 1 269.477 2.427 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086834999 179350520 /nfs/dbraw/zinc/35/05/20/179350520.db2.gz SIWJSHRDDJTLKF-OAHLLOKOSA-N 3 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840338 179350964 /nfs/dbraw/zinc/35/09/64/179350964.db2.gz ALUVRJWYGOIVOA-AWEZNQCLSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840338 179350966 /nfs/dbraw/zinc/35/09/66/179350966.db2.gz ALUVRJWYGOIVOA-AWEZNQCLSA-N 2 1 265.445 2.077 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000086840338 179350968 /nfs/dbraw/zinc/35/09/68/179350968.db2.gz ALUVRJWYGOIVOA-AWEZNQCLSA-N 2 1 265.445 2.077 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843114 179352598 /nfs/dbraw/zinc/35/25/98/179352598.db2.gz PKUJEYMVBLZYFC-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843114 179352599 /nfs/dbraw/zinc/35/25/99/179352599.db2.gz PKUJEYMVBLZYFC-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCN2CCCCC2)CC1 ZINC000086843114 179352602 /nfs/dbraw/zinc/35/26/02/179352602.db2.gz PKUJEYMVBLZYFC-MRXNPFEDSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)CC1 ZINC000086841996 179352839 /nfs/dbraw/zinc/35/28/39/179352839.db2.gz LPKNVCQPTPFKME-LSDHHAIUSA-N 2 1 283.460 2.145 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842244 179352995 /nfs/dbraw/zinc/35/29/95/179352995.db2.gz LLPVZYFVFQGPIW-CABCVRRESA-N 2 1 254.418 2.410 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843162 179353430 /nfs/dbraw/zinc/35/34/30/179353430.db2.gz ZUMYDPFNQZNYTG-CABCVRRESA-N 2 1 254.418 2.410 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843152 179353753 /nfs/dbraw/zinc/35/37/53/179353753.db2.gz LAKNNHQLJURXJV-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354477 /nfs/dbraw/zinc/35/44/77/179354477.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354478 /nfs/dbraw/zinc/35/44/78/179354478.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354480 /nfs/dbraw/zinc/35/44/80/179354480.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354482 /nfs/dbraw/zinc/35/44/82/179354482.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354483 /nfs/dbraw/zinc/35/44/83/179354483.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 2 1 267.461 2.168 10 0 CEAEMP CC1(C)CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086920922 179367646 /nfs/dbraw/zinc/36/76/46/179367646.db2.gz XIZXDQBGOIYTNV-OAHLLOKOSA-N 2 1 254.418 2.003 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CC(O)(CC)CC)CC1 ZINC000087014625 179379759 /nfs/dbraw/zinc/37/97/59/179379759.db2.gz UDYIIKRDMYXEHF-AWEZNQCLSA-N 2 1 256.434 2.392 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104190389 185921294 /nfs/dbraw/zinc/92/12/94/185921294.db2.gz QSMHZQRBQAUQFI-KBPBESRZSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](CCC)CC1CC1 ZINC000090566416 180005313 /nfs/dbraw/zinc/00/53/13/180005313.db2.gz FWYXDGBFEBFZIN-LSDHHAIUSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](CC)C1CCCC1 ZINC000090566150 180005403 /nfs/dbraw/zinc/00/54/03/180005403.db2.gz KIWBCBZZCJCCLS-DZGCQCFKSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892205 180054024 /nfs/dbraw/zinc/05/40/24/180054024.db2.gz KHJIPPRGLKNJDD-DOMZBBRYSA-N 2 1 278.371 2.061 10 0 CEAEMP CC(C)[N@@H+](CCC(N)=[NH2+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893378 180055053 /nfs/dbraw/zinc/05/50/53/180055053.db2.gz GWORZWYRMAZZPO-ZDUSSCGKSA-N 2 1 279.359 2.166 10 0 CEAEMP CC[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893527 180055369 /nfs/dbraw/zinc/05/53/69/180055369.db2.gz DBYUWMGQAZEMAV-BBRMVZONSA-N 2 1 292.398 2.451 10 0 CEAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893527 180055370 /nfs/dbraw/zinc/05/53/70/180055370.db2.gz DBYUWMGQAZEMAV-BBRMVZONSA-N 2 1 292.398 2.451 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000091273043 180117895 /nfs/dbraw/zinc/11/78/95/180117895.db2.gz FCMNDUCCUDFRHU-CYBMUJFWSA-N 2 1 250.390 2.025 10 0 CEAEMP CC(C)n1cncc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000091273048 180118223 /nfs/dbraw/zinc/11/82/23/180118223.db2.gz FKMKFOKVMQXRQM-CHWSQXEVSA-N 2 1 250.390 2.023 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000091273048 180118224 /nfs/dbraw/zinc/11/82/24/180118224.db2.gz FKMKFOKVMQXRQM-CHWSQXEVSA-N 2 1 250.390 2.023 10 0 CEAEMP CC1CC[NH+](CCC[NH2+]Cc2cncn2C2CC2)CC1 ZINC000091274381 180118879 /nfs/dbraw/zinc/11/88/79/180118879.db2.gz PBLGZNRMRNVCTH-UHFFFAOYSA-N 2 1 276.428 2.430 10 0 CEAEMP CC[N@@H+](Cc1cncn1C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091277111 180120318 /nfs/dbraw/zinc/12/03/18/180120318.db2.gz DRSCDRUMJRCEHX-IUODEOHRSA-N 2 1 262.401 2.167 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091430270 180152842 /nfs/dbraw/zinc/15/28/42/180152842.db2.gz OBNDZVZXMCBFNT-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091430270 180152844 /nfs/dbraw/zinc/15/28/44/180152844.db2.gz OBNDZVZXMCBFNT-KRWDZBQOSA-N 2 1 275.440 2.322 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+]1CCCC[C@@H]1CO ZINC000091404113 180146891 /nfs/dbraw/zinc/14/68/91/180146891.db2.gz ILSHPMVDBJAWGD-UONOGXRCSA-N 2 1 256.434 2.248 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cnn(C)c1)[C@@](C)(CC)[NH+](C)C ZINC000091571828 180196049 /nfs/dbraw/zinc/19/60/49/180196049.db2.gz RYQNXLZBRPELCL-LSDHHAIUSA-N 2 1 266.433 2.061 10 0 CEAEMP CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1cc[nH+]c(N)c1 ZINC000091572951 180196057 /nfs/dbraw/zinc/19/60/57/180196057.db2.gz UDXUWTCETQAENF-DZGCQCFKSA-N 2 1 265.401 2.078 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cc(C)nn1C)[C@@](C)(CC)[NH+](C)C ZINC000091572048 180196164 /nfs/dbraw/zinc/19/61/64/180196164.db2.gz FTWQNKQJQSYQHM-JKSUJKDBSA-N 2 1 280.460 2.370 10 0 CEAEMP CCCn1ncnc1C[C@@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCC1 ZINC000091606876 180204033 /nfs/dbraw/zinc/20/40/33/180204033.db2.gz RYKOOCJYUZPBTO-ZBFHGGJFSA-N 2 1 293.459 2.083 10 0 CEAEMP CCc1cc(C[C@H]([NH2+]C)[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091606597 180204276 /nfs/dbraw/zinc/20/42/76/180204276.db2.gz LILBJAHPFZFZCF-IRXDYDNUSA-N 2 1 292.471 2.378 10 0 CEAEMP CCc1cc(C[C@@H]([NH2+]C)[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091606595 180204469 /nfs/dbraw/zinc/20/44/69/180204469.db2.gz LILBJAHPFZFZCF-IAGOWNOFSA-N 2 1 292.471 2.378 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(C)c1)C(CC)(CC)[NH+](C)C ZINC000091614701 180207878 /nfs/dbraw/zinc/20/78/78/180207878.db2.gz MNFFSOWMWQQFNU-AWEZNQCLSA-N 2 1 266.433 2.061 10 0 CEAEMP CC1CCC([C@H](N)Cc2cc[nH+]c(N)c2)([NH+](C)C)CC1 ZINC000091648729 180216606 /nfs/dbraw/zinc/21/66/06/180216606.db2.gz FUYHZBPWNVQBSH-CXOJTPOUSA-N 2 1 276.428 2.044 10 0 CEAEMP C[NH+](C)C1([C@H](O)c2c[nH+]ccc2N)CCCCCC1 ZINC000091654013 180217008 /nfs/dbraw/zinc/21/70/08/180217008.db2.gz WZNKOQRCSYSIRW-CQSZACIVSA-N 2 1 263.385 2.352 10 0 CEAEMP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091717020 180232382 /nfs/dbraw/zinc/23/23/82/180232382.db2.gz MDWLIPFXHLDSEG-AWEZNQCLSA-N 2 1 264.417 2.436 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091722497 180240899 /nfs/dbraw/zinc/24/08/99/180240899.db2.gz OCQAPQAATZLVQF-IJLUTSLNSA-N 2 1 281.425 2.349 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc([C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091722497 180240902 /nfs/dbraw/zinc/24/09/02/180240902.db2.gz OCQAPQAATZLVQF-IJLUTSLNSA-N 2 1 281.425 2.349 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)C1CCN(C(C)C)CC1 ZINC000091849869 180272534 /nfs/dbraw/zinc/27/25/34/180272534.db2.gz CIGRDBTVUDBTNY-UHFFFAOYSA-N 2 1 267.461 2.451 10 0 CEAEMP CC[N@H+](C1CCC([NH3+])CC1)C1CC[NH+](C(C)C)CC1 ZINC000091849869 180272537 /nfs/dbraw/zinc/27/25/37/180272537.db2.gz CIGRDBTVUDBTNY-UHFFFAOYSA-N 3 1 267.461 2.451 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)C1CC[NH+](C(C)C)CC1 ZINC000091849869 180272540 /nfs/dbraw/zinc/27/25/40/180272540.db2.gz CIGRDBTVUDBTNY-UHFFFAOYSA-N 3 1 267.461 2.451 10 0 CEAEMP CCCN(c1[nH+]ccn1CC)C1CCC([NH3+])CC1 ZINC000091852653 180273059 /nfs/dbraw/zinc/27/30/59/180273059.db2.gz VSKOFNFSHPUJIU-UHFFFAOYSA-N 2 1 250.390 2.389 10 0 CEAEMP C[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000091844304 180268696 /nfs/dbraw/zinc/26/86/96/180268696.db2.gz DVOHYTFZTDTWML-ABHNRTSZSA-N 2 1 287.451 2.463 10 0 CEAEMP CCc1cc(N(CC)C2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC000091851158 180272272 /nfs/dbraw/zinc/27/22/72/180272272.db2.gz CLCRELUNYMDNDJ-UHFFFAOYSA-N 2 1 262.401 2.444 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000091870105 180277032 /nfs/dbraw/zinc/27/70/32/180277032.db2.gz GPGWHALNWOPRID-UHFFFAOYSA-N 2 1 283.460 2.144 10 0 CEAEMP CC[N@H+]1CCC[C@@](O)(C2(C[NH3+])CCCCC2)CC1 ZINC000091922505 180286810 /nfs/dbraw/zinc/28/68/10/180286810.db2.gz CVYCMQIXDBBCGY-HNNXBMFYSA-N 2 1 254.418 2.133 10 0 CEAEMP CC[N@@H+](Cc1nc(C)ccc1O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091996215 180301964 /nfs/dbraw/zinc/30/19/64/180301964.db2.gz MQCUDIQTVGMYLJ-TZMCWYRMSA-N 2 1 263.385 2.045 10 0 CEAEMP [NH3+]CCC[C@H]1CCC[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092306496 180360146 /nfs/dbraw/zinc/36/01/46/180360146.db2.gz QIIBPRQYRLLWKD-KGLIPLIRSA-N 2 1 260.381 2.366 10 0 CEAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)CCSc1ccccc1 ZINC000092262344 180355050 /nfs/dbraw/zinc/35/50/50/180355050.db2.gz KYNRXRPUNWBHDH-NSHDSACASA-N 2 1 251.399 2.425 10 0 CEAEMP CC(C)[C@H]1CSC(NC[C@@H]2CCC[N@@H+](C)C2)=[NH+]1 ZINC000092402484 180377314 /nfs/dbraw/zinc/37/73/14/180377314.db2.gz AVVDTRUZKDHMHC-NWDGAFQWSA-N 2 1 255.431 2.045 10 0 CEAEMP CCNc1cc[nH+]c(CN(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092418997 180382272 /nfs/dbraw/zinc/38/22/72/180382272.db2.gz IJUFTNFIMCLXPC-OAHLLOKOSA-N 2 1 262.401 2.039 10 0 CEAEMP COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000109604103 186267920 /nfs/dbraw/zinc/26/79/20/186267920.db2.gz JWYOHMLIAVYHMZ-OAHLLOKOSA-N 2 1 276.380 2.063 10 0 CEAEMP C[C@@H]([NH3+])C1CC[NH+](Cc2nnc(-c3cccs3)o2)CC1 ZINC000110650133 186310104 /nfs/dbraw/zinc/31/01/04/186310104.db2.gz IUBLEVYXMUEMHR-SNVBAGLBSA-N 2 1 292.408 2.357 10 0 CEAEMP CC[C@@H]1CN(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)CC[N@H+]1C ZINC000110694762 186313260 /nfs/dbraw/zinc/31/32/60/186313260.db2.gz YTPSZGAQNURWOZ-IUODEOHRSA-N 2 1 290.411 2.264 10 0 CEAEMP COc1cccc([C@@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704904 186313888 /nfs/dbraw/zinc/31/38/88/186313888.db2.gz FGDSYJHHIIHNFG-CZUORRHYSA-N 2 1 291.439 2.110 10 0 CEAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704815 186314713 /nfs/dbraw/zinc/31/47/13/186314713.db2.gz YBNCGJMWYYCVIB-ZBFHGGJFSA-N 2 1 275.440 2.409 10 0 CEAEMP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000110704015 186314772 /nfs/dbraw/zinc/31/47/72/186314772.db2.gz BELZTOWJGRZDEF-GZBFAFLISA-N 2 1 265.401 2.084 10 0 CEAEMP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110704806 186314878 /nfs/dbraw/zinc/31/48/78/186314878.db2.gz XVDGCGFPXWUZNT-GXTWGEPZSA-N 2 1 265.401 2.002 10 0 CEAEMP COc1cccc([C@@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704901 186315027 /nfs/dbraw/zinc/31/50/27/186315027.db2.gz FGDSYJHHIIHNFG-XJKSGUPXSA-N 2 1 291.439 2.110 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2C)CC[N@H+]1C ZINC000110711274 186315623 /nfs/dbraw/zinc/31/56/23/186315623.db2.gz GQQVCANMMKCYAG-WBVHZDCISA-N 2 1 275.440 2.329 10 0 CEAEMP CC(C)Oc1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000110712539 186315960 /nfs/dbraw/zinc/31/59/60/186315960.db2.gz QZRAVXGXEBDFKV-YOEHRIQHSA-N 2 1 291.439 2.110 10 0 CEAEMP CCOc1ccccc1[C@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716445 186316523 /nfs/dbraw/zinc/31/65/23/186316523.db2.gz REMGBJPFRISDOZ-OAHLLOKOSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(SC)cc2)C[C@@H]1C ZINC000110709578 186316654 /nfs/dbraw/zinc/31/66/54/186316654.db2.gz QLEMYPIUSOTJQX-BBRMVZONSA-N 2 1 293.480 2.434 10 0 CEAEMP CCOc1ccccc1[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110712175 186316657 /nfs/dbraw/zinc/31/66/57/186316657.db2.gz DINTYFNMNTXXKE-OAHLLOKOSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[C@H]1CN([C@@H](C)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000110754365 186321955 /nfs/dbraw/zinc/32/19/55/186321955.db2.gz QLMYOEIKACBRPR-KBPBESRZSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[N@H+]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)C[C@@H]1C ZINC000110760114 186323444 /nfs/dbraw/zinc/32/34/44/186323444.db2.gz OCYVQUMZKKAAFM-NSHDSACASA-N 2 1 296.484 2.430 10 0 CEAEMP CCC[NH2+]Cc1sc(N2CC[N@@H+](C)C(C)(C)C2)nc1C ZINC000110760362 186323533 /nfs/dbraw/zinc/32/35/33/186323533.db2.gz CTVACRCNQWWPSN-UHFFFAOYSA-N 2 1 296.484 2.482 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1C[NH3+])C[C@H]1CCCOC1 ZINC000111157201 186361887 /nfs/dbraw/zinc/36/18/87/186361887.db2.gz AAOMZAQNAXMOIB-GFCCVEGCSA-N 2 1 266.360 2.143 10 0 CEAEMP CCC[C@]1(C[N@@H+](C)CC2CCOCC2)CC[NH2+]C1 ZINC000111179357 186366563 /nfs/dbraw/zinc/36/65/63/186366563.db2.gz GRXVVTIGABYPRB-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP CCC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]C)CCCOC1 ZINC000111326724 186398649 /nfs/dbraw/zinc/39/86/49/186398649.db2.gz ODYVUOCREWKAJV-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP C[N@@H+](C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111324721 186399032 /nfs/dbraw/zinc/39/90/32/186399032.db2.gz IQWGDRPTLYVIQM-HNNXBMFYSA-N 2 1 254.418 2.266 10 0 CEAEMP Cc1ccsc1[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000111237362 186372940 /nfs/dbraw/zinc/37/29/40/186372940.db2.gz DCLPZVGXYVAZKB-LBPRGKRZSA-N 2 1 267.442 2.082 10 0 CEAEMP CCC[NH2+]C1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000088759709 535158103 /nfs/dbraw/zinc/15/81/03/535158103.db2.gz ALLVLUBKQDEOPJ-UHFFFAOYSA-N 2 1 262.401 2.316 10 0 CEAEMP CO[C@H]1C[N@H+](Cc2c(C)cccc2C)[C@](C)(C[NH3+])C1 ZINC000630361693 351711776 /nfs/dbraw/zinc/71/17/76/351711776.db2.gz VEWBPDCSVNPKHN-ZBFHGGJFSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@H]1C[N@@H+](Cc2c(C)cccc2C)[C@](C)(C[NH3+])C1 ZINC000630361693 351711777 /nfs/dbraw/zinc/71/17/77/351711777.db2.gz VEWBPDCSVNPKHN-ZBFHGGJFSA-N 2 1 262.397 2.242 10 0 CEAEMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@](C)(O)c1ccccc1 ZINC000152411168 188016523 /nfs/dbraw/zinc/01/65/23/188016523.db2.gz YFWCJKSZOHIJMY-NVXWUHKLSA-N 2 1 276.424 2.168 10 0 CEAEMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@](C)(O)c1ccccc1 ZINC000152411168 188016524 /nfs/dbraw/zinc/01/65/24/188016524.db2.gz YFWCJKSZOHIJMY-NVXWUHKLSA-N 2 1 276.424 2.168 10 0 CEAEMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@](C)(O)c1ccccc1 ZINC000152411168 188016525 /nfs/dbraw/zinc/01/65/25/188016525.db2.gz YFWCJKSZOHIJMY-NVXWUHKLSA-N 2 1 276.424 2.168 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000337240259 366098721 /nfs/dbraw/zinc/09/87/21/366098721.db2.gz AUWFJXIHZLRMNM-QBPKDAKJSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000337240259 366098725 /nfs/dbraw/zinc/09/87/25/366098725.db2.gz AUWFJXIHZLRMNM-QBPKDAKJSA-N 2 1 280.456 2.486 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000337240259 366098730 /nfs/dbraw/zinc/09/87/30/366098730.db2.gz AUWFJXIHZLRMNM-QBPKDAKJSA-N 2 1 280.456 2.486 10 0 CEAEMP CC[C@H]1CN(c2nc3ccccc3[nH]2)CC[N@H+]1CCOC ZINC000134949533 366377995 /nfs/dbraw/zinc/37/79/95/366377995.db2.gz WTUASFWWPZQHII-ZDUSSCGKSA-N 2 1 288.395 2.110 10 0 CEAEMP CCOC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115836 366623056 /nfs/dbraw/zinc/62/30/56/366623056.db2.gz GELSOEDIKXHNKN-AWEZNQCLSA-N 2 1 291.395 2.077 10 0 CEAEMP CCOC(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115836 366623062 /nfs/dbraw/zinc/62/30/62/366623062.db2.gz GELSOEDIKXHNKN-AWEZNQCLSA-N 2 1 291.395 2.077 10 0 CEAEMP C[C@@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150771492 366596428 /nfs/dbraw/zinc/59/64/28/366596428.db2.gz RWXNHSBGCUMMRV-SJLPKXTDSA-N 2 1 288.435 2.312 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151340688 366639545 /nfs/dbraw/zinc/63/95/45/366639545.db2.gz MSCPQLCXQXRJNJ-DOTOQJQBSA-N 2 1 276.424 2.492 10 0 CEAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000095072290 364332342 /nfs/dbraw/zinc/33/23/42/364332342.db2.gz NIEWQNVAXKUNHG-MNOVXSKESA-N 2 1 284.201 2.204 10 0 CEAEMP Nc1nc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000156213372 366828651 /nfs/dbraw/zinc/82/86/51/366828651.db2.gz RUOYIAIJNPRFGT-CQSZACIVSA-N 2 1 283.379 2.135 10 0 CEAEMP Nc1nc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000156213372 366828659 /nfs/dbraw/zinc/82/86/59/366828659.db2.gz RUOYIAIJNPRFGT-CQSZACIVSA-N 2 1 283.379 2.135 10 0 CEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH+]1CCCCC1 ZINC000161952649 367124862 /nfs/dbraw/zinc/12/48/62/367124862.db2.gz PPLBFTGMEIOBHU-IAGOWNOFSA-N 2 1 279.472 2.421 10 0 CEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cnc2ccccn12 ZINC000180838138 368399632 /nfs/dbraw/zinc/39/96/32/368399632.db2.gz CQXZCCDIHOITSN-LSDHHAIUSA-N 2 1 284.407 2.393 10 0 CEAEMP CCC[C@]1(COC)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261801892 284084649 /nfs/dbraw/zinc/08/46/49/284084649.db2.gz GYHIHOJCWNPMMY-HUUCEWRRSA-N 2 1 254.418 2.267 10 0 CEAEMP FC(F)COCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000189367404 369506391 /nfs/dbraw/zinc/50/63/91/369506391.db2.gz KGVDLCQGEYSETP-GFCCVEGCSA-N 2 1 285.338 2.097 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccnc(N)c3)C2)[nH+]1 ZINC000191504353 369719738 /nfs/dbraw/zinc/71/97/38/369719738.db2.gz CQQGBOVNWVOHFF-OAHLLOKOSA-N 2 1 297.406 2.301 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccnc(N)c3)C2)[nH+]1 ZINC000191504353 369719744 /nfs/dbraw/zinc/71/97/44/369719744.db2.gz CQQGBOVNWVOHFF-OAHLLOKOSA-N 2 1 297.406 2.301 10 0 CEAEMP C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CC[NH+](C)C1 ZINC000221351502 370240405 /nfs/dbraw/zinc/24/04/05/370240405.db2.gz GLQRUQGGQNHZRI-UKRRQHHQSA-N 2 1 288.391 2.350 10 0 CEAEMP C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CC[NH+](C)C1 ZINC000221351502 370240407 /nfs/dbraw/zinc/24/04/07/370240407.db2.gz GLQRUQGGQNHZRI-UKRRQHHQSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CC[N@H+](C)C1 ZINC000221351502 370240409 /nfs/dbraw/zinc/24/04/09/370240409.db2.gz GLQRUQGGQNHZRI-UKRRQHHQSA-N 2 1 288.391 2.350 10 0 CEAEMP C[NH+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CC[N@@H+](C)C1 ZINC000221351502 370240411 /nfs/dbraw/zinc/24/04/11/370240411.db2.gz GLQRUQGGQNHZRI-UKRRQHHQSA-N 2 1 288.391 2.350 10 0 CEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246719550 371000498 /nfs/dbraw/zinc/00/04/98/371000498.db2.gz XMZGWJYFOSKOHA-QLFBSQMISA-N 2 1 295.471 2.131 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248755801 371242698 /nfs/dbraw/zinc/24/26/98/371242698.db2.gz HZAQUTQAPXFUQX-HOTGVXAUSA-N 2 1 293.411 2.199 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCO[C@H]1CCCCO1 ZINC000248755801 371242704 /nfs/dbraw/zinc/24/27/04/371242704.db2.gz HZAQUTQAPXFUQX-HOTGVXAUSA-N 2 1 293.411 2.199 10 0 CEAEMP CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249368058 371315751 /nfs/dbraw/zinc/31/57/51/371315751.db2.gz MWEGKFLDMSLMDB-KBMXLJTQSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249368058 371315753 /nfs/dbraw/zinc/31/57/53/371315753.db2.gz MWEGKFLDMSLMDB-KBMXLJTQSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249368058 371315756 /nfs/dbraw/zinc/31/57/56/371315756.db2.gz MWEGKFLDMSLMDB-KBMXLJTQSA-N 2 1 266.429 2.096 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000261698540 371704593 /nfs/dbraw/zinc/70/45/93/371704593.db2.gz NYHRRGXXALXIQS-DJIMGWMZSA-N 2 1 282.391 2.041 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@@H]12 ZINC000261789387 371732768 /nfs/dbraw/zinc/73/27/68/371732768.db2.gz QHXPBIVYRXKXIJ-ARFHVFGLSA-N 2 1 267.376 2.404 10 0 CEAEMP Nc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261643122 371689264 /nfs/dbraw/zinc/68/92/64/371689264.db2.gz FULVVSIFZHRJBZ-AEFFLSMTSA-N 2 1 281.403 2.443 10 0 CEAEMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261938501 371776550 /nfs/dbraw/zinc/77/65/50/371776550.db2.gz MPAJQLMCVUKRLU-NPJQDHAYSA-N 2 1 298.496 2.407 10 0 CEAEMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261938504 371777374 /nfs/dbraw/zinc/77/73/74/371777374.db2.gz MPAJQLMCVUKRLU-ZVDSWSACSA-N 2 1 298.496 2.407 10 0 CEAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261981242 371788641 /nfs/dbraw/zinc/78/86/41/371788641.db2.gz RQCZQRRPMCQUSG-LYYZXLFJSA-N 2 1 266.429 2.312 10 0 CEAEMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000380177751 375159668 /nfs/dbraw/zinc/15/96/68/375159668.db2.gz ODQYIZCGMBJVNX-GDLCADMTSA-N 2 1 250.411 2.480 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc[nH+]c(N)c1 ZINC000306763129 376555096 /nfs/dbraw/zinc/55/50/96/376555096.db2.gz FUWBRPDLKASJFG-AWEZNQCLSA-N 2 1 282.391 2.375 10 0 CEAEMP Cn1cccc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629773 376866394 /nfs/dbraw/zinc/86/63/94/376866394.db2.gz IQLFLMHDPBURID-RDJZCZTQSA-N 2 1 284.407 2.203 10 0 CEAEMP Cn1cccc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328629773 376866400 /nfs/dbraw/zinc/86/64/00/376866400.db2.gz IQLFLMHDPBURID-RDJZCZTQSA-N 2 1 284.407 2.203 10 0 CEAEMP CC[NH2+][C@@](C)(CO)CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000085217275 184606041 /nfs/dbraw/zinc/60/60/41/184606041.db2.gz WDKCAUZLNLDELU-QLFBSQMISA-N 2 1 256.434 2.105 10 0 CEAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H](C)C[C@@](C)(CO)[NH2+]C1CC1 ZINC000085240350 184607749 /nfs/dbraw/zinc/60/77/49/184607749.db2.gz TTZBSTTVHXSPPY-YDHLFZDLSA-N 2 1 256.434 2.244 10 0 CEAEMP CC1CCC([NH2+]CCN(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000092676760 184620328 /nfs/dbraw/zinc/62/03/28/184620328.db2.gz LJWODGYOWGVSFY-UYSNPLJNSA-N 2 1 267.461 2.181 10 0 CEAEMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC[NH3+] ZINC000093515644 184686932 /nfs/dbraw/zinc/68/69/32/184686932.db2.gz RMGOJEVMLPCGMQ-KGLIPLIRSA-N 2 1 299.459 2.493 10 0 CEAEMP CC[N@H+](Cc1scnc1C)CC1CC[NH2+]CC1 ZINC000094011624 184750267 /nfs/dbraw/zinc/75/02/67/184750267.db2.gz SKQKPXZXWYUPST-UHFFFAOYSA-N 2 1 253.415 2.273 10 0 CEAEMP CC[C@@H](C)n1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)n1 ZINC000094024359 184750982 /nfs/dbraw/zinc/75/09/82/184750982.db2.gz DLUXSFGRLHZLPH-CYBMUJFWSA-N 2 1 264.417 2.286 10 0 CEAEMP Cc1c[nH+]c(N2CCC([NH+]3CCCCC3)CC2)c(N)c1 ZINC000090676632 135064151 /nfs/dbraw/zinc/06/41/51/135064151.db2.gz DPUPEBRDESFOTK-UHFFFAOYSA-N 2 1 274.412 2.427 10 0 CEAEMP COc1ccccc1N1CC[NH+](CC(C)(C)[C@H](C)[NH3+])CC1 ZINC000091402562 135068889 /nfs/dbraw/zinc/06/88/89/135068889.db2.gz NTWSEBLQZGQSSV-AWEZNQCLSA-N 2 1 291.439 2.191 10 0 CEAEMP NC(=[NH2+])[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000093936903 135082849 /nfs/dbraw/zinc/08/28/49/135082849.db2.gz OAVSIXYDMRTABI-ZDUSSCGKSA-N 2 1 290.754 2.029 10 0 CEAEMP COCC[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000094272882 135085844 /nfs/dbraw/zinc/08/58/44/135085844.db2.gz VTXISBLXOACKKX-GFCCVEGCSA-N 2 1 283.803 2.187 10 0 CEAEMP COCC[NH2+]CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000094272844 135085981 /nfs/dbraw/zinc/08/59/81/135085981.db2.gz SPGKLAPGNQDTIQ-UHFFFAOYSA-N 2 1 283.803 2.187 10 0 CEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(F)cc1CC[NH3+] ZINC000094444585 135088594 /nfs/dbraw/zinc/08/85/94/135088594.db2.gz TZFLJIUDMAFZIJ-CZUORRHYSA-N 2 1 291.414 2.390 10 0 CEAEMP C[NH2+]Cc1nc(N2CC[N@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000094443207 135088923 /nfs/dbraw/zinc/08/89/23/135088923.db2.gz YHNUXLCNUZQWDI-GFCCVEGCSA-N 2 1 294.830 2.129 10 0 CEAEMP C[C@H]([NH3+])Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000094444535 135089011 /nfs/dbraw/zinc/08/90/11/135089011.db2.gz JQENCJZAEDODRY-WMLDXEAASA-N 2 1 273.424 2.251 10 0 CEAEMP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000079047998 394630348 /nfs/dbraw/zinc/63/03/48/394630348.db2.gz BHXDNCXTNKAVPA-RYUDHWBXSA-N 2 1 258.369 2.373 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188076770 395310046 /nfs/dbraw/zinc/31/00/46/395310046.db2.gz OEAPCVKAMAFOJO-OAGGEKHMSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188076770 395310052 /nfs/dbraw/zinc/31/00/52/395310052.db2.gz OEAPCVKAMAFOJO-OAGGEKHMSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188076770 395310058 /nfs/dbraw/zinc/31/00/58/395310058.db2.gz OEAPCVKAMAFOJO-OAGGEKHMSA-N 2 1 294.464 2.240 10 0 CEAEMP CC(=[NH2+])N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000307731161 400339795 /nfs/dbraw/zinc/33/97/95/400339795.db2.gz MHPWVHQAWVACKK-HRCADAONSA-N 2 1 257.381 2.484 10 0 CEAEMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000228496712 153362410 /nfs/dbraw/zinc/36/24/10/153362410.db2.gz XNWCMJLZKCQAGH-IXDOHACOSA-N 2 1 280.456 2.488 10 0 CEAEMP C[C@H]([NH3+])[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159905970 162319945 /nfs/dbraw/zinc/31/99/45/162319945.db2.gz ZGCPWYIPXRGDJC-UWVGGRQHSA-N 2 1 284.201 2.408 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000177024128 165186147 /nfs/dbraw/zinc/18/61/47/165186147.db2.gz WHZLLCWFNSVMDB-HZPDHXFCSA-N 2 1 295.471 2.194 10 0 CEAEMP CC(C)c1nc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000178971370 165263928 /nfs/dbraw/zinc/26/39/28/165263928.db2.gz HCYPRCLKEPKCMS-CYBMUJFWSA-N 2 1 278.400 2.330 10 0 CEAEMP CC(C)c1nc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000178971370 165263931 /nfs/dbraw/zinc/26/39/31/165263931.db2.gz HCYPRCLKEPKCMS-CYBMUJFWSA-N 2 1 278.400 2.330 10 0 CEAEMP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C(C)C)[NH+](C)C)CC1 ZINC000037221295 173040337 /nfs/dbraw/zinc/04/03/37/173040337.db2.gz GBANVVFNLYCVKY-GDBMZVCRSA-N 3 1 269.477 2.283 10 0 CEAEMP C[C@@H](N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043300 174050248 /nfs/dbraw/zinc/05/02/48/174050248.db2.gz WYCLNBRGASUDRP-HIFRSBDPSA-N 2 1 295.471 2.096 10 0 CEAEMP C[C@@H](N(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043300 174050250 /nfs/dbraw/zinc/05/02/50/174050250.db2.gz WYCLNBRGASUDRP-HIFRSBDPSA-N 2 1 295.471 2.096 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000040622506 174354547 /nfs/dbraw/zinc/35/45/47/174354547.db2.gz KYESQMAVVBEYEH-AWEZNQCLSA-N 2 1 276.380 2.235 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCCCO2 ZINC000040749441 174394072 /nfs/dbraw/zinc/39/40/72/174394072.db2.gz GXAKOQUXXFBHTD-GOOCMWNKSA-N 2 1 288.391 2.302 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCCCO2 ZINC000040749441 174394074 /nfs/dbraw/zinc/39/40/74/174394074.db2.gz GXAKOQUXXFBHTD-GOOCMWNKSA-N 2 1 288.391 2.302 10 0 CEAEMP C[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818217 175113052 /nfs/dbraw/zinc/11/30/52/175113052.db2.gz AEZCAXPCLFETHD-KRWDZBQOSA-N 2 1 275.440 2.201 10 0 CEAEMP C[NH2+][C@@H](CN1CCC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000043818243 175113159 /nfs/dbraw/zinc/11/31/59/175113159.db2.gz RBUZWXQDLANOQS-HNNXBMFYSA-N 2 1 287.407 2.331 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)CCC)OCCO2 ZINC000043884812 175116878 /nfs/dbraw/zinc/11/68/78/175116878.db2.gz BOQNLWISDCUAJQ-HUUCEWRRSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)CCC)OCCO2 ZINC000043884812 175116880 /nfs/dbraw/zinc/11/68/80/175116880.db2.gz BOQNLWISDCUAJQ-HUUCEWRRSA-N 2 1 284.444 2.382 10 0 CEAEMP CCOC1CC[NH+]([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000043906909 175122538 /nfs/dbraw/zinc/12/25/38/175122538.db2.gz ZSYZNJLOVUBNRS-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CCCOC)CCOC ZINC000043971100 175131843 /nfs/dbraw/zinc/13/18/43/175131843.db2.gz TXAWJHPGWJBNPZ-HZPDHXFCSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CCCOC)CCOC ZINC000043971100 175131844 /nfs/dbraw/zinc/13/18/44/175131844.db2.gz TXAWJHPGWJBNPZ-HZPDHXFCSA-N 2 1 286.460 2.282 10 0 CEAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](CCCOC)CCOC ZINC000043970911 175132038 /nfs/dbraw/zinc/13/20/38/175132038.db2.gz ROEQHZXISHVCCK-LSDHHAIUSA-N 2 1 274.449 2.138 10 0 CEAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](CCCOC)CCOC ZINC000043970911 175132041 /nfs/dbraw/zinc/13/20/41/175132041.db2.gz ROEQHZXISHVCCK-LSDHHAIUSA-N 2 1 274.449 2.138 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH+]2CCC([NH3+])CC2)c1C ZINC000045173238 175322615 /nfs/dbraw/zinc/32/26/15/175322615.db2.gz FRRNDFOTHDFSOA-NSHDSACASA-N 2 1 250.390 2.004 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+]1CCCC[C@@H]1C ZINC000045376062 175366706 /nfs/dbraw/zinc/36/67/06/175366706.db2.gz YENJWOFPLADLKV-DZGCQCFKSA-N 2 1 270.417 2.312 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+]1CCCC[C@@H]1C ZINC000045376062 175366707 /nfs/dbraw/zinc/36/67/07/175366707.db2.gz YENJWOFPLADLKV-DZGCQCFKSA-N 2 1 270.417 2.312 10 0 CEAEMP CCC[N@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045387082 175372742 /nfs/dbraw/zinc/37/27/42/175372742.db2.gz KBWQPTIYNTWIPB-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045387082 175372744 /nfs/dbraw/zinc/37/27/44/175372744.db2.gz KBWQPTIYNTWIPB-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)CCC)C(N)=O ZINC000045386945 175373176 /nfs/dbraw/zinc/37/31/76/175373176.db2.gz DJJWBEXFGPGBGD-OAHLLOKOSA-N 2 1 271.449 2.132 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C(CC)CC)[NH2+]C ZINC000045391582 175374477 /nfs/dbraw/zinc/37/44/77/175374477.db2.gz MYAJXHLWZBAYEV-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C(CC)CC)[NH2+]C ZINC000045391582 175374478 /nfs/dbraw/zinc/37/44/78/175374478.db2.gz MYAJXHLWZBAYEV-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071044740 176029689 /nfs/dbraw/zinc/02/96/89/176029689.db2.gz VWKTUHLJSVXCNO-MRXNPFEDSA-N 2 1 262.397 2.361 10 0 CEAEMP CCC[C@H](c1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148694 176044495 /nfs/dbraw/zinc/04/44/95/176044495.db2.gz AEMUPXFFKMFYAE-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP C[C@@H](c1ccc(Cl)s1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148989 176044600 /nfs/dbraw/zinc/04/46/00/176044600.db2.gz USKSAYRNSMLDSO-NSHDSACASA-N 2 1 287.860 2.300 10 0 CEAEMP C[C@H](c1ccc(Cl)s1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148991 176044796 /nfs/dbraw/zinc/04/47/96/176044796.db2.gz USKSAYRNSMLDSO-LLVKDONJSA-N 2 1 287.860 2.300 10 0 CEAEMP CCC[C@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188899 176063321 /nfs/dbraw/zinc/06/33/21/176063321.db2.gz OEKZEAXZMKUDGY-VVLHAWIVSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CCCCC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188782 176063633 /nfs/dbraw/zinc/06/36/33/176063633.db2.gz ARTXEKGNDIEQGU-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071188697 176063749 /nfs/dbraw/zinc/06/37/49/176063749.db2.gz UKPQMUWWKCLIGK-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189011 176064857 /nfs/dbraw/zinc/06/48/57/176064857.db2.gz BGOKIQAFQOGVDV-YVSFHVDLSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]([NH3+])c1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071193054 176075397 /nfs/dbraw/zinc/07/53/97/176075397.db2.gz HARFSWIEIGLOKR-OLZOCXBDSA-N 2 1 290.411 2.122 10 0 CEAEMP CC(C)[NH2+][C@H]1CCCN(CC[N@@H+](C)C2CCCC2)C1 ZINC000071199889 176077342 /nfs/dbraw/zinc/07/73/42/176077342.db2.gz YYBQSXCNMQRPCQ-HNNXBMFYSA-N 2 1 267.461 2.323 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000071263549 176096466 /nfs/dbraw/zinc/09/64/66/176096466.db2.gz GNKBNWOXYLDVJT-LSDHHAIUSA-N 2 1 264.344 2.038 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000071263549 176096469 /nfs/dbraw/zinc/09/64/69/176096469.db2.gz GNKBNWOXYLDVJT-LSDHHAIUSA-N 2 1 264.344 2.038 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000071263547 176097000 /nfs/dbraw/zinc/09/70/00/176097000.db2.gz GNKBNWOXYLDVJT-GJZGRUSLSA-N 2 1 264.344 2.038 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000071263547 176097001 /nfs/dbraw/zinc/09/70/01/176097001.db2.gz GNKBNWOXYLDVJT-GJZGRUSLSA-N 2 1 264.344 2.038 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1CCCO ZINC000071263622 176097094 /nfs/dbraw/zinc/09/70/94/176097094.db2.gz XEDDCTYLPJPBIS-OAHLLOKOSA-N 2 1 266.360 2.021 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267866 176101603 /nfs/dbraw/zinc/10/16/03/176101603.db2.gz YYLOLDAUUOLJDF-CYBMUJFWSA-N 2 1 279.359 2.111 10 0 CEAEMP C[NH2+]CCCCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000071290010 176110553 /nfs/dbraw/zinc/11/05/53/176110553.db2.gz QDPJTXMEJRITSQ-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP C[NH2+]CCCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000071290010 176110555 /nfs/dbraw/zinc/11/05/55/176110555.db2.gz QDPJTXMEJRITSQ-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000071344223 176130991 /nfs/dbraw/zinc/13/09/91/176130991.db2.gz PGIKQMYDZATRFY-HNNXBMFYSA-N 2 1 261.413 2.458 10 0 CEAEMP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000071344223 176130993 /nfs/dbraw/zinc/13/09/93/176130993.db2.gz PGIKQMYDZATRFY-HNNXBMFYSA-N 2 1 261.413 2.458 10 0 CEAEMP CC[C@@H](CC[NH3+])CCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000079214250 177449102 /nfs/dbraw/zinc/44/91/02/177449102.db2.gz JKLOWGKHVXJJDZ-CYBMUJFWSA-N 2 1 295.393 2.322 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136407959 419447952 /nfs/dbraw/zinc/44/79/52/419447952.db2.gz YXBQZFSKXZQOSR-MRXNPFEDSA-N 2 1 297.487 2.330 10 0 CEAEMP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400412323 274244328 /nfs/dbraw/zinc/24/43/28/274244328.db2.gz UKNDUZSHAZJHDC-NVXWUHKLSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000079047996 278390128 /nfs/dbraw/zinc/39/01/28/278390128.db2.gz BHXDNCXTNKAVPA-VXGBXAGGSA-N 2 1 258.369 2.373 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400767026 279348491 /nfs/dbraw/zinc/34/84/91/279348491.db2.gz ZIFSOCWJOPTZAH-VYDXJSESSA-N 2 1 275.440 2.095 10 0 CEAEMP C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000400767026 279348492 /nfs/dbraw/zinc/34/84/92/279348492.db2.gz ZIFSOCWJOPTZAH-VYDXJSESSA-N 2 1 275.440 2.095 10 0 CEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@@H](C)C1 ZINC000247963812 280341108 /nfs/dbraw/zinc/34/11/08/280341108.db2.gz GNVPQWBPNJYUAS-MWDXBVQZSA-N 2 1 298.471 2.017 10 0 CEAEMP Brc1ccccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258948213 280528345 /nfs/dbraw/zinc/52/83/45/280528345.db2.gz QXRKSQRORHCCCR-JTQLQIEISA-N 2 1 269.186 2.148 10 0 CEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249384929 281199076 /nfs/dbraw/zinc/19/90/76/281199076.db2.gz PPLBFTGMEIOBHU-IRXDYDNUSA-N 2 1 279.472 2.421 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068647047 519736738 /nfs/dbraw/zinc/73/67/38/519736738.db2.gz LHLQFXLSEVCJBR-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@@](C)(C[C@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068647047 519736740 /nfs/dbraw/zinc/73/67/40/519736740.db2.gz LHLQFXLSEVCJBR-BBRMVZONSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC[NH+]1CCN([C@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052421986 519859714 /nfs/dbraw/zinc/85/97/14/519859714.db2.gz DNJHJPDBELMOBV-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[NH2+][C@@H](C)CCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078749 519983841 /nfs/dbraw/zinc/98/38/41/519983841.db2.gz DAVIPVWYIVPUTN-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)on1 ZINC000052373336 519986825 /nfs/dbraw/zinc/98/68/25/519986825.db2.gz KCOVOYZCRIPUFI-RYUDHWBXSA-N 2 1 251.374 2.405 10 0 CEAEMP CCC[NH2+][C@@H](C)c1cnc(N2CC[NH+](CC)CC2)s1 ZINC000054899390 519991683 /nfs/dbraw/zinc/99/16/83/519991683.db2.gz OOHJVEBVXZKCOD-LBPRGKRZSA-N 2 1 282.457 2.346 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503329 520030146 /nfs/dbraw/zinc/03/01/46/520030146.db2.gz UAXAAOHKMDOJBQ-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](CCN(C)C)CC(C)C ZINC000052503329 520030154 /nfs/dbraw/zinc/03/01/54/520030154.db2.gz UAXAAOHKMDOJBQ-UHFFFAOYSA-N 2 1 281.444 2.409 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)CC1CCCCC1)C(N)=O ZINC000068638356 520232975 /nfs/dbraw/zinc/23/29/75/520232975.db2.gz HRBHQGHYJGXIBA-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000068638356 520232987 /nfs/dbraw/zinc/23/29/87/520232987.db2.gz HRBHQGHYJGXIBA-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[N@H+](Cc1cc(C)ccc1OC)C[C@H](C)C[NH3+] ZINC000050702801 521289048 /nfs/dbraw/zinc/28/90/48/521289048.db2.gz XDIFLNBKXHELSA-CYBMUJFWSA-N 2 1 250.386 2.420 10 0 CEAEMP C(CC[NH2+]C1CC1)CC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000052540315 518383655 /nfs/dbraw/zinc/38/36/55/518383655.db2.gz PLZFCNACJBFQCQ-HUUCEWRRSA-N 2 1 252.402 2.162 10 0 CEAEMP CC(C)(C)[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC000061711822 518754003 /nfs/dbraw/zinc/75/40/03/518754003.db2.gz NXWBGGGCJBECDW-CYBMUJFWSA-N 2 1 254.418 2.002 10 0 CEAEMP CC(C)(C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000052377985 518765921 /nfs/dbraw/zinc/76/59/21/518765921.db2.gz PAMUGNFRDUSBJD-UHFFFAOYSA-N 2 1 262.397 2.407 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673639 519723939 /nfs/dbraw/zinc/72/39/39/519723939.db2.gz GMKDMHJULCUCKY-HRCADAONSA-N 2 1 284.444 2.033 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479262 519723969 /nfs/dbraw/zinc/72/39/69/519723969.db2.gz ISKMJSLRWQIXHL-AEGPPILISA-N 2 1 254.418 2.262 10 0 CEAEMP CC(C)CN1CC[NH+](CCCC[NH2+]C(C)C)CC1 ZINC000055075972 519725533 /nfs/dbraw/zinc/72/55/33/519725533.db2.gz FOVUUBPHVVTVFQ-UHFFFAOYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)CN1CC[NH+]([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055082925 519727336 /nfs/dbraw/zinc/72/73/36/519727336.db2.gz MZSALWYVDZAQCP-INIZCTEOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617404 519740368 /nfs/dbraw/zinc/74/03/68/519740368.db2.gz XYQVDSRUJOLPIN-GOEBONIOSA-N 2 1 283.460 2.273 10 0 CEAEMP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419963 519744138 /nfs/dbraw/zinc/74/41/38/519744138.db2.gz QBXZZKPBKOFVPR-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419963 519744140 /nfs/dbraw/zinc/74/41/40/519744140.db2.gz QBXZZKPBKOFVPR-AWEZNQCLSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[NH2+]Cc1cnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000054909502 519748451 /nfs/dbraw/zinc/74/84/51/519748451.db2.gz YHOWRSLHMLKPJV-UHFFFAOYSA-N 2 1 294.468 2.173 10 0 CEAEMP CC(C)[C@@H](C[NH3+])O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702300 519794216 /nfs/dbraw/zinc/79/42/16/519794216.db2.gz FLLBEYRJSHPHCG-JKSUJKDBSA-N 2 1 262.397 2.261 10 0 CEAEMP CCC1CCC([N@@H+](C)CCN2CCC[NH2+]CC2)CC1 ZINC000061275373 519853188 /nfs/dbraw/zinc/85/31/88/519853188.db2.gz FKJYWORPMFERNG-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)on1 ZINC000052373337 519986560 /nfs/dbraw/zinc/98/65/60/519986560.db2.gz KCOVOYZCRIPUFI-NEPJUHHUSA-N 2 1 251.374 2.405 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c(C)o1 ZINC000052540363 519990003 /nfs/dbraw/zinc/99/00/03/519990003.db2.gz TVYOPQPTLIIRJS-HOTGVXAUSA-N 2 1 278.396 2.451 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c(C)o1 ZINC000052540363 519990012 /nfs/dbraw/zinc/99/00/12/519990012.db2.gz TVYOPQPTLIIRJS-HOTGVXAUSA-N 2 1 278.396 2.451 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653567 520094026 /nfs/dbraw/zinc/09/40/26/520094026.db2.gz JWRDHVQLORAVBJ-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653567 520094032 /nfs/dbraw/zinc/09/40/32/520094032.db2.gz JWRDHVQLORAVBJ-XHSDSOJGSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653576 520122769 /nfs/dbraw/zinc/12/27/69/520122769.db2.gz VBNIXYSUMGVITD-YLFCFFPRSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653576 520122776 /nfs/dbraw/zinc/12/27/76/520122776.db2.gz VBNIXYSUMGVITD-YLFCFFPRSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000054560319 520122991 /nfs/dbraw/zinc/12/29/91/520122991.db2.gz LYLZDKCRXVEJHH-YLFCFFPRSA-N 2 1 282.472 2.494 10 0 CEAEMP CC[NH2+][C@H]1COc2cc(OCCn3cc[nH+]c3C)ccc21 ZINC000062804562 520220883 /nfs/dbraw/zinc/22/08/83/520220883.db2.gz ZFNUFXIBXHMYPW-HNNXBMFYSA-N 2 1 287.363 2.314 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052198137 520319964 /nfs/dbraw/zinc/31/99/64/520319964.db2.gz GKXBVSYCCAYESW-MRXNPFEDSA-N 2 1 296.455 2.036 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052198135 520528002 /nfs/dbraw/zinc/52/80/02/520528002.db2.gz JRGSMTUHIBHEGX-INIZCTEOSA-N 2 1 298.471 2.282 10 0 CEAEMP CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](C[N@H+]2CC[C@H](O)C2)C1 ZINC000061711928 520829600 /nfs/dbraw/zinc/82/96/00/520829600.db2.gz ALYIVFIKSNCSQR-UGUYLWEFSA-N 2 1 268.445 2.248 10 0 CEAEMP CCCC[C@@](CC)(C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000069381183 521120939 /nfs/dbraw/zinc/12/09/39/521120939.db2.gz RHQNXIBTZJMLHU-HNNXBMFYSA-N 2 1 255.450 2.310 10 0 CEAEMP CC[N@@H+](CCOc1ccc(C[NH2+]C)cc1)[C@H](C)COC ZINC000052504864 521148978 /nfs/dbraw/zinc/14/89/78/521148978.db2.gz JDAYTYWEOUFLIQ-CQSZACIVSA-N 2 1 280.412 2.142 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCC[C@@](C)(NC)C(=O)OC ZINC000069443356 521300782 /nfs/dbraw/zinc/30/07/82/521300782.db2.gz YOFMTQGQMCEGJU-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC(C)(C)[N@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000069443356 521300790 /nfs/dbraw/zinc/30/07/90/521300790.db2.gz YOFMTQGQMCEGJU-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC(C)(C)[N@@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000069443356 521300799 /nfs/dbraw/zinc/30/07/99/521300799.db2.gz YOFMTQGQMCEGJU-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197548 521627264 /nfs/dbraw/zinc/62/72/64/521627264.db2.gz STCJJRUJZANUKC-OAGGEKHMSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197548 521627270 /nfs/dbraw/zinc/62/72/70/521627270.db2.gz STCJJRUJZANUKC-OAGGEKHMSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197548 521627273 /nfs/dbraw/zinc/62/72/73/521627273.db2.gz STCJJRUJZANUKC-OAGGEKHMSA-N 2 1 269.477 2.283 10 0 CEAEMP CCC[N@@H+](CCn1cc(C[NH2+]CC(C)C)nn1)C(C)C ZINC000052450418 521674963 /nfs/dbraw/zinc/67/49/63/521674963.db2.gz CVJUANBOMZKRPO-UHFFFAOYSA-N 2 1 281.448 2.144 10 0 CEAEMP CCN1CC[NH+](Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052422402 521689806 /nfs/dbraw/zinc/68/98/06/521689806.db2.gz YLMBROWGUALWGK-UHFFFAOYSA-N 2 1 273.380 2.029 10 0 CEAEMP CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000070282204 521709438 /nfs/dbraw/zinc/70/94/38/521709438.db2.gz VYMUGFNVGOSFBO-MEDUHNTESA-N 2 1 294.395 2.054 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000070282204 521709440 /nfs/dbraw/zinc/70/94/40/521709440.db2.gz VYMUGFNVGOSFBO-MEDUHNTESA-N 2 1 294.395 2.054 10 0 CEAEMP C[NH2+]C[C@@H](C)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376261 522030276 /nfs/dbraw/zinc/03/02/76/522030276.db2.gz AYRPUYVDTKMRTG-CQSZACIVSA-N 2 1 275.440 2.281 10 0 CEAEMP C[NH2+]Cc1sc(N(C)[C@H]2CCC[N@@H+](C)C2)nc1C1CC1 ZINC000069180134 522167863 /nfs/dbraw/zinc/16/78/63/522167863.db2.gz YREDAFRLWJKTAH-LBPRGKRZSA-N 2 1 294.468 2.270 10 0 CEAEMP CN(C)c1nc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)cc[nH+]1 ZINC000068690254 522362617 /nfs/dbraw/zinc/36/26/17/522362617.db2.gz KMVAWGMZPGPURW-ZDUSSCGKSA-N 2 1 291.443 2.147 10 0 CEAEMP C[N@@H+](CCC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCCCO1 ZINC000050953262 522787165 /nfs/dbraw/zinc/78/71/65/522787165.db2.gz GVDDMKUBMAOHFV-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052543331 523257023 /nfs/dbraw/zinc/25/70/23/523257023.db2.gz GEZPVSOEYCCHJD-AWEZNQCLSA-N 2 1 274.449 2.138 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570845 523515715 /nfs/dbraw/zinc/51/57/15/523515715.db2.gz DXZCPLUTBIWSAO-RRFJBIMHSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570845 523515720 /nfs/dbraw/zinc/51/57/20/523515720.db2.gz DXZCPLUTBIWSAO-RRFJBIMHSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C[NH2+]C ZINC000052571225 523518098 /nfs/dbraw/zinc/51/80/98/523518098.db2.gz USGDTZAJWIPCRS-CZUORRHYSA-N 2 1 262.397 2.405 10 0 CEAEMP CN1CCC([N@@H+](C)Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052419867 523617773 /nfs/dbraw/zinc/61/77/73/523617773.db2.gz PQMWMKHDHRRRGI-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP CN(Cc1oc2ccccc2c1C[NH3+])C1CC[NH+](C)CC1 ZINC000052419867 523617774 /nfs/dbraw/zinc/61/77/74/523617774.db2.gz PQMWMKHDHRRRGI-UHFFFAOYSA-N 2 1 287.407 2.418 10 0 CEAEMP COCC[N@@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052572793 523624513 /nfs/dbraw/zinc/62/45/13/523624513.db2.gz GVWUBWDMHRMAPJ-UHFFFAOYSA-N 2 1 250.386 2.263 10 0 CEAEMP COCC[NH+](CCOC)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557068 523717395 /nfs/dbraw/zinc/71/73/95/523717395.db2.gz HVVGCORZNXRWSD-UHFFFAOYSA-N 2 1 286.460 2.125 10 0 CEAEMP COCC[N@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC1 ZINC000055023287 523781179 /nfs/dbraw/zinc/78/11/79/523781179.db2.gz KZNZDJRJGIJSRZ-AWEZNQCLSA-N 2 1 261.369 2.165 10 0 CEAEMP COCC[N@@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC1 ZINC000055023287 523781183 /nfs/dbraw/zinc/78/11/83/523781183.db2.gz KZNZDJRJGIJSRZ-AWEZNQCLSA-N 2 1 261.369 2.165 10 0 CEAEMP C[N@H+]1CCCN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052424438 523809457 /nfs/dbraw/zinc/80/94/57/523809457.db2.gz IZMAFJJODNUVKI-KRWDZBQOSA-N 2 1 273.424 2.117 10 0 CEAEMP CC[C@H](C)[NH+]1CCN(CC2(CC)CC[NH2+]CC2)CC1 ZINC000062851278 523952683 /nfs/dbraw/zinc/95/26/83/523952683.db2.gz CJPCESUCLGRCHB-HNNXBMFYSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@@H]1CC[C@H](C)[C@@](CN)([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000068630012 524659181 /nfs/dbraw/zinc/65/91/81/524659181.db2.gz ATLZBSRGJVLJJZ-HLLBOEOZSA-N 2 1 281.488 2.414 10 0 CEAEMP Cc1ccccc1C[N@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183541 525127877 /nfs/dbraw/zinc/12/78/77/525127877.db2.gz IJEGMAXHXRKQQZ-UHFFFAOYSA-N 2 1 262.397 2.182 10 0 CEAEMP C[C@H](Nc1cc[nH+]c(N(C)C)n1)c1ccc(C[NH3+])cc1 ZINC000068690009 525671966 /nfs/dbraw/zinc/67/19/66/525671966.db2.gz GTQJDFGCVWGPMU-NSHDSACASA-N 2 1 271.368 2.174 10 0 CEAEMP C[C@H](c1cccs1)[N@@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275479 526152929 /nfs/dbraw/zinc/15/29/29/526152929.db2.gz DASMLJPYVHEOKB-CYBMUJFWSA-N 2 1 267.442 2.036 10 0 CEAEMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151315316 526210079 /nfs/dbraw/zinc/21/00/79/526210079.db2.gz QYKFFWJHFQTJSS-SJLPKXTDSA-N 2 1 288.435 2.419 10 0 CEAEMP Cc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH2+]CC(C)C ZINC000054968953 526964968 /nfs/dbraw/zinc/96/49/68/526964968.db2.gz WTARBGPSEYJTOP-UHFFFAOYSA-N 2 1 296.484 2.339 10 0 CEAEMP [NH3+]C[C@H]1CCCCC[C@@H]1[N@@H+](CCO)Cc1ccccc1 ZINC000050514173 527230000 /nfs/dbraw/zinc/23/00/00/527230000.db2.gz KNDDSWOBPQUEHE-SJORKVTESA-N 2 1 276.424 2.389 10 0 CEAEMP Cc1nn(C)c2sc([C@@H]3CC[C@@H]([NH3+])[C@@H](C)[NH2+]3)cc12 ZINC000757216555 574513218 /nfs/dbraw/zinc/51/32/18/574513218.db2.gz QIASVOUDHOVFTF-IEBDPFPHSA-N 2 1 264.398 2.084 10 0 CEAEMP C[C@@]1(CNC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309714615 625281588 /nfs/dbraw/zinc/28/15/88/625281588.db2.gz KHGUPRLPGWPTBJ-SFHVURJKSA-N 2 1 287.451 2.240 10 0 CEAEMP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399157160 628781244 /nfs/dbraw/zinc/78/12/44/628781244.db2.gz DIULONDVVJAKEL-UKRRQHHQSA-N 2 1 254.418 2.002 10 0 CEAEMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC1CC[NH+](C)CC1 ZINC000094434171 628893702 /nfs/dbraw/zinc/89/37/02/628893702.db2.gz UYASRTZGLQPLDW-IAGOWNOFSA-N 2 1 279.472 2.277 10 0 CEAEMP COc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729014 178245638 /nfs/dbraw/zinc/24/56/38/178245638.db2.gz SLLCPWRBUJZBEK-WBVHZDCISA-N 2 1 274.408 2.312 10 0 CEAEMP CC(C)CC[N@@H+](CCCC[C@](C)([NH3+])CO)C1CC1 ZINC000096837014 185116435 /nfs/dbraw/zinc/11/64/35/185116435.db2.gz RAEXPTXXODPXLC-HNNXBMFYSA-N 2 1 256.434 2.377 10 0 CEAEMP CCc1nn(C)cc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000125523855 187189420 /nfs/dbraw/zinc/18/94/20/187189420.db2.gz QXKYWTPJMLMVNB-UKRRQHHQSA-N 2 1 278.444 2.383 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576762 343793770 /nfs/dbraw/zinc/79/37/70/343793770.db2.gz JBOZRQSRCAQTKV-HOTGVXAUSA-N 2 1 295.471 2.083 10 0 CEAEMP CC1CCC(O)(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328651944 344757892 /nfs/dbraw/zinc/75/78/92/344757892.db2.gz WESQSRQFLNTEKE-ISXOHVOVSA-N 2 1 291.439 2.319 10 0 CEAEMP CC1CCC(O)(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328651944 344757896 /nfs/dbraw/zinc/75/78/96/344757896.db2.gz WESQSRQFLNTEKE-ISXOHVOVSA-N 2 1 291.439 2.319 10 0 CEAEMP OCCCCC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403795 179053328 /nfs/dbraw/zinc/05/33/28/179053328.db2.gz DZVTVTGDJHSCSB-INIZCTEOSA-N 2 1 268.445 2.393 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000085494600 179081916 /nfs/dbraw/zinc/08/19/16/179081916.db2.gz QGXFETNARZRIGE-GJZGRUSLSA-N 2 1 264.417 2.044 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000085529666 179091610 /nfs/dbraw/zinc/09/16/10/179091610.db2.gz MCEVDSBLTHALHM-WMLDXEAASA-N 2 1 290.455 2.434 10 0 CEAEMP CC(C)Cc1nc2c(n1[C@H]1CC[N@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573010 179098858 /nfs/dbraw/zinc/09/88/58/179098858.db2.gz JDIUZGVKAHOBJJ-AWEZNQCLSA-N 2 1 288.439 2.137 10 0 CEAEMP CC(C)CCOCC[N@@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000085608142 179101543 /nfs/dbraw/zinc/10/15/43/179101543.db2.gz BLFIHQAWRWYIEM-HNNXBMFYSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)CCOCC[N@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000085608142 179101544 /nfs/dbraw/zinc/10/15/44/179101544.db2.gz BLFIHQAWRWYIEM-HNNXBMFYSA-N 2 1 256.434 2.369 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085618885 179104193 /nfs/dbraw/zinc/10/41/93/179104193.db2.gz APFZFYCHXYRLII-SZMVWBNQSA-N 2 1 288.435 2.461 10 0 CEAEMP COCCC[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085614944 179104308 /nfs/dbraw/zinc/10/43/08/179104308.db2.gz KPXPYKINBYAWOO-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085671493 179111359 /nfs/dbraw/zinc/11/13/59/179111359.db2.gz MUCHKUVUHSVGLK-XQLPTFJDSA-N 2 1 268.445 2.366 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CCCC[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000086146725 179238964 /nfs/dbraw/zinc/23/89/64/179238964.db2.gz SCSPVQFDTUHOGS-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146725 179238966 /nfs/dbraw/zinc/23/89/66/179238966.db2.gz SCSPVQFDTUHOGS-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCN1 ZINC000086146725 179238967 /nfs/dbraw/zinc/23/89/67/179238967.db2.gz SCSPVQFDTUHOGS-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCN1 ZINC000086146725 179238969 /nfs/dbraw/zinc/23/89/69/179238969.db2.gz SCSPVQFDTUHOGS-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCN1 ZINC000086146725 179238971 /nfs/dbraw/zinc/23/89/71/179238971.db2.gz SCSPVQFDTUHOGS-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223917 179253617 /nfs/dbraw/zinc/25/36/17/179253617.db2.gz HHVHQNLXXCHFDZ-UAGQMJEPSA-N 2 1 273.424 2.116 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086260740 179260222 /nfs/dbraw/zinc/26/02/22/179260222.db2.gz BLMSOODKICCGGJ-PVAVHDDUSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086288687 179264681 /nfs/dbraw/zinc/26/46/81/179264681.db2.gz NDQOSCBQIUQGNL-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259588 179257568 /nfs/dbraw/zinc/25/75/68/179257568.db2.gz OVCHMINBZTYZQS-USXIJHARSA-N 2 1 277.456 2.076 10 0 CEAEMP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292986 179266371 /nfs/dbraw/zinc/26/63/71/179266371.db2.gz VFWWJQAFVIRVKE-YESZJQIVSA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH+](C)CCCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086293253 179266410 /nfs/dbraw/zinc/26/64/10/179266410.db2.gz LTEJUAMXSZPOCN-GOSISDBHSA-N 3 1 289.467 2.235 10 0 CEAEMP C[NH+](C)CCCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086293253 179266411 /nfs/dbraw/zinc/26/64/11/179266411.db2.gz LTEJUAMXSZPOCN-GOSISDBHSA-N 3 1 289.467 2.235 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086291643 179266876 /nfs/dbraw/zinc/26/68/76/179266876.db2.gz RBZCDXYNYRMDLJ-MRXNPFEDSA-N 2 1 279.472 2.469 10 0 CEAEMP CC(C)(C)[C@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296858 179268089 /nfs/dbraw/zinc/26/80/89/179268089.db2.gz HBVWXUYXKQMRAS-GFCCVEGCSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)(C)[C@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296858 179268090 /nfs/dbraw/zinc/26/80/90/179268090.db2.gz HBVWXUYXKQMRAS-GFCCVEGCSA-N 2 1 267.442 2.396 10 0 CEAEMP CC[C@H](COC)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086299461 179268610 /nfs/dbraw/zinc/26/86/10/179268610.db2.gz XWUHYDYUBWPOEQ-CQSZACIVSA-N 2 1 254.418 2.410 10 0 CEAEMP CN(CC1CCCCC1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819416 179348735 /nfs/dbraw/zinc/34/87/35/179348735.db2.gz GOTUPURUQXSCFY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP C[N@H+](CC1CCCCC1)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819416 179348737 /nfs/dbraw/zinc/34/87/37/179348737.db2.gz GOTUPURUQXSCFY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP C[N@@H+](CC1CCCCC1)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819416 179348738 /nfs/dbraw/zinc/34/87/38/179348738.db2.gz GOTUPURUQXSCFY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP C[NH+](CC1CCCCC1)[C@]1(CN)CCC[N@H+](C)CC1 ZINC000086819416 179348739 /nfs/dbraw/zinc/34/87/39/179348739.db2.gz GOTUPURUQXSCFY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP C[NH+](CC1CCCCC1)[C@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819416 179348740 /nfs/dbraw/zinc/34/87/40/179348740.db2.gz GOTUPURUQXSCFY-MRXNPFEDSA-N 2 1 267.461 2.312 10 0 CEAEMP CC(C)[C@H](CN[C@@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817426 179344399 /nfs/dbraw/zinc/34/43/99/179344399.db2.gz ZFFULUFZEJUXAG-CVEARBPZSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC(CC)[C@H](CN[C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817434 179344840 /nfs/dbraw/zinc/34/48/40/179344840.db2.gz AAABTIGNWLUIFL-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP COc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086817033 179345090 /nfs/dbraw/zinc/34/50/90/179345090.db2.gz IXKSDWGYBIIEKY-HNNXBMFYSA-N 2 1 292.423 2.320 10 0 CEAEMP CC[NH+](CC)CCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835485 179349601 /nfs/dbraw/zinc/34/96/01/179349601.db2.gz OVEGNHHFHORFPF-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846928 179356264 /nfs/dbraw/zinc/35/62/64/179356264.db2.gz OBIRRJKEIGMQQY-HUUCEWRRSA-N 2 1 285.501 2.017 10 0 CEAEMP CCOC(=O)C[C@@]1([NH+](CC)CC)CCC[N@H+](C)CC1 ZINC000086834405 179350625 /nfs/dbraw/zinc/35/06/25/179350625.db2.gz LQHZSDNTQGCYTD-OAHLLOKOSA-N 2 1 270.417 2.136 10 0 CEAEMP CCOC(=O)C[C@@]1([NH+](CC)CC)CCC[N@@H+](C)CC1 ZINC000086834405 179350626 /nfs/dbraw/zinc/35/06/26/179350626.db2.gz LQHZSDNTQGCYTD-OAHLLOKOSA-N 2 1 270.417 2.136 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2ccnc2)CC1 ZINC000086839670 179352133 /nfs/dbraw/zinc/35/21/33/179352133.db2.gz LAJIWKIICCAJBZ-XHSDSOJGSA-N 2 1 276.428 2.441 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000086836542 179352149 /nfs/dbraw/zinc/35/21/49/179352149.db2.gz NVHPRNGJWNTICZ-LSDHHAIUSA-N 2 1 290.407 2.290 10 0 CEAEMP CCN(C1CC1)[C@]1(C[NH3+])CCC[N@H+](C(C)C)CC1 ZINC000086846671 179354965 /nfs/dbraw/zinc/35/49/65/179354965.db2.gz HBODUIODBUVGEF-OAHLLOKOSA-N 2 1 253.434 2.063 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850885 179358570 /nfs/dbraw/zinc/35/85/70/179358570.db2.gz SRDMNQJYRFUSJW-HUUCEWRRSA-N 2 1 253.434 2.063 10 0 CEAEMP CC(C)[C@H]1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950407 179368900 /nfs/dbraw/zinc/36/89/00/179368900.db2.gz DMDVTWTUACRDFH-IRXDYDNUSA-N 2 1 281.488 2.428 10 0 CEAEMP COCC[N@@H+](C)[C@]1(C[NH3+])CCC[C@H](C(C)C)CC1 ZINC000086948468 179369095 /nfs/dbraw/zinc/36/90/95/179369095.db2.gz SZRQJYUIYNYQNP-LSDHHAIUSA-N 2 1 256.434 2.498 10 0 CEAEMP CC[NH2+][C@H](CSC(C)C)Cc1cc[nH+]c(N)c1 ZINC000087113302 179395537 /nfs/dbraw/zinc/39/55/37/179395537.db2.gz VXMMJULHVPPKTD-LBPRGKRZSA-N 2 1 253.415 2.326 10 0 CEAEMP CC[C@H](C)SC[C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000087135658 179396726 /nfs/dbraw/zinc/39/67/26/179396726.db2.gz OEVOOQAXXSAVAI-CMPLNLGQSA-N 2 1 253.415 2.326 10 0 CEAEMP CC[C@H](C)SC[C@@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000087135882 179396952 /nfs/dbraw/zinc/39/69/52/179396952.db2.gz SNGNJQYZMHSWKZ-CMPLNLGQSA-N 2 1 253.415 2.326 10 0 CEAEMP CC(=O)Nc1cccc([C@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616627027 348539350 /nfs/dbraw/zinc/53/93/50/348539350.db2.gz BAJDMBCARLMREA-AWEZNQCLSA-N 2 1 275.396 2.173 10 0 CEAEMP CC(=O)Nc1cccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616627027 348539352 /nfs/dbraw/zinc/53/93/52/348539352.db2.gz BAJDMBCARLMREA-AWEZNQCLSA-N 2 1 275.396 2.173 10 0 CEAEMP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccccc1CCO ZINC000616623437 348538005 /nfs/dbraw/zinc/53/80/05/348538005.db2.gz FOJRAVDKEZDALP-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccccc1CCO ZINC000616623437 348538008 /nfs/dbraw/zinc/53/80/08/348538008.db2.gz FOJRAVDKEZDALP-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccccc1CCO ZINC000616626334 348538542 /nfs/dbraw/zinc/53/85/42/348538542.db2.gz FOJRAVDKEZDALP-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccccc1CCO ZINC000616626334 348538547 /nfs/dbraw/zinc/53/85/47/348538547.db2.gz FOJRAVDKEZDALP-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP CC(C)C[C@@H](C[NH3+])CC[N@@H+](C)CCN1CCCC1 ZINC000088290956 179575648 /nfs/dbraw/zinc/57/56/48/179575648.db2.gz NYMZZMQAUMZUSW-HNNXBMFYSA-N 2 1 255.450 2.025 10 0 CEAEMP CC(C)C[C@@H](C[NH3+])CCN(C)CC[NH+]1CCCC1 ZINC000088290956 179575651 /nfs/dbraw/zinc/57/56/51/179575651.db2.gz NYMZZMQAUMZUSW-HNNXBMFYSA-N 2 1 255.450 2.025 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1cccs1 ZINC000090566144 180005570 /nfs/dbraw/zinc/00/55/70/180005570.db2.gz KFRXVKXNLAMYJR-TZMCWYRMSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1cccs1 ZINC000090566144 180005571 /nfs/dbraw/zinc/00/55/71/180005571.db2.gz KFRXVKXNLAMYJR-TZMCWYRMSA-N 2 1 268.426 2.195 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@@H]1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000090567248 180006270 /nfs/dbraw/zinc/00/62/70/180006270.db2.gz URDUYAOJVGLPIZ-AAEUAGOBSA-N 2 1 294.361 2.275 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1CCCCC[C@@H]1C ZINC000090567054 180006312 /nfs/dbraw/zinc/00/63/12/180006312.db2.gz OJZVDNZRZJSVCK-SOUVJXGZSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000090566970 180006848 /nfs/dbraw/zinc/00/68/48/180006848.db2.gz RLHKTGRDCJXBLK-LSDHHAIUSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](CC1CC1)C(C)C ZINC000090566558 180006914 /nfs/dbraw/zinc/00/69/14/180006914.db2.gz XOYCGEQBOMTKML-HUUCEWRRSA-N 2 1 254.418 2.121 10 0 CEAEMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000090773160 180037700 /nfs/dbraw/zinc/03/77/00/180037700.db2.gz JPPGLVQJZLPJQS-JKSUJKDBSA-N 2 1 297.487 2.343 10 0 CEAEMP c1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@H](C[NH2+]C3CC3)C1)O2 ZINC000090875385 180050929 /nfs/dbraw/zinc/05/09/29/180050929.db2.gz MFSAHANSNUNMDU-PBHICJAKSA-N 2 1 286.419 2.454 10 0 CEAEMP c1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@H](C[NH2+]C3CC3)C1)O2 ZINC000090875385 180050930 /nfs/dbraw/zinc/05/09/30/180050930.db2.gz MFSAHANSNUNMDU-PBHICJAKSA-N 2 1 286.419 2.454 10 0 CEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893497 180055525 /nfs/dbraw/zinc/05/55/25/180055525.db2.gz YWUIXLVSZBVLQA-XUJVJEKNSA-N 2 1 278.371 2.188 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907838 180061970 /nfs/dbraw/zinc/06/19/70/180061970.db2.gz KPTHDGZFXOQQRA-GASCZTMLSA-N 2 1 254.418 2.266 10 0 CEAEMP [NH3+]CCc1nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000090958786 180074902 /nfs/dbraw/zinc/07/49/02/180074902.db2.gz XXGSOTDCFHJJLM-AAEUAGOBSA-N 2 1 265.426 2.409 10 0 CEAEMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2NC(C)=O)C1 ZINC000090960158 180075468 /nfs/dbraw/zinc/07/54/68/180075468.db2.gz FVDPWPDHEMWRGV-LBPRGKRZSA-N 2 1 281.425 2.138 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2NC(C)=O)C1 ZINC000090960158 180075470 /nfs/dbraw/zinc/07/54/70/180075470.db2.gz FVDPWPDHEMWRGV-LBPRGKRZSA-N 2 1 281.425 2.138 10 0 CEAEMP CC(=O)Nc1ccccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000090962423 180077036 /nfs/dbraw/zinc/07/70/36/180077036.db2.gz OCBQZFZBNDSYJR-LBPRGKRZSA-N 2 1 263.385 2.075 10 0 CEAEMP c1ccc2c(c1)C[C@H]2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000090976395 180078811 /nfs/dbraw/zinc/07/88/11/180078811.db2.gz SIIOSUBEOMLPPH-ZFWWWQNUSA-N 2 1 256.393 2.400 10 0 CEAEMP CC(C)C[NH2+]Cc1cccn1C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000091001806 180083213 /nfs/dbraw/zinc/08/32/13/180083213.db2.gz FSCOAWHMZRNZPT-KRWDZBQOSA-N 2 1 293.455 2.343 10 0 CEAEMP CC(C)n1cncc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000091273061 180117948 /nfs/dbraw/zinc/11/79/48/180117948.db2.gz JNHZVCWGBSYGOK-STQMWFEESA-N 2 1 250.390 2.023 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000091273061 180117950 /nfs/dbraw/zinc/11/79/50/180117950.db2.gz JNHZVCWGBSYGOK-STQMWFEESA-N 2 1 250.390 2.023 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](N(C)C)C2)cc1 ZINC000091430275 180152880 /nfs/dbraw/zinc/15/28/80/180152880.db2.gz VOCWLNMPUYETAT-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](N(C)C)C2)cc1 ZINC000091430275 180152881 /nfs/dbraw/zinc/15/28/81/180152881.db2.gz VOCWLNMPUYETAT-QGZVFWFLSA-N 2 1 275.440 2.322 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091428489 180153217 /nfs/dbraw/zinc/15/32/17/180153217.db2.gz GPZMBJXAXREVGR-CABCVRRESA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@H]([NH3+])CCC[C@H](C)C[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091394836 180146426 /nfs/dbraw/zinc/14/64/26/180146426.db2.gz FKKDTVOEFVEYEA-KKUMJFAQSA-N 2 1 255.450 2.166 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)C[N@H+]1CCCC[C@@H]1CO ZINC000091404115 180146962 /nfs/dbraw/zinc/14/69/62/180146962.db2.gz ILSHPMVDBJAWGD-ZIAGYGMSSA-N 2 1 256.434 2.248 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000091405124 180147139 /nfs/dbraw/zinc/14/71/39/180147139.db2.gz XRYFYIPTMIHTTM-CQSZACIVSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@](C)([C@@H]([NH3+])Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604454 180203498 /nfs/dbraw/zinc/20/34/98/180203498.db2.gz UQPORGAQIQSKES-GOEBONIOSA-N 2 1 293.459 2.068 10 0 CEAEMP CCc1cc(C[C@H]([NH3+])[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605401 180204382 /nfs/dbraw/zinc/20/43/82/180204382.db2.gz FJFDOCCNWRTKMI-HOTGVXAUSA-N 2 1 278.444 2.117 10 0 CEAEMP CC[C@](C)([C@H](Cc1cc(C)nn1C)[NH2+]C)[NH+]1CCCC1 ZINC000091606605 180204755 /nfs/dbraw/zinc/20/47/55/180204755.db2.gz NSJXCMANVPILAE-JKSUJKDBSA-N 2 1 278.444 2.124 10 0 CEAEMP COc1ccc(C[C@H]([NH3+])C(C)(C)[NH+](C)C)cc1F ZINC000091528364 180179362 /nfs/dbraw/zinc/17/93/62/180179362.db2.gz WEYVIRWRJCCSBB-ZDUSSCGKSA-N 2 1 254.349 2.044 10 0 CEAEMP [NH3+][C@H](Cc1ccncc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640769 180213237 /nfs/dbraw/zinc/21/32/37/180213237.db2.gz MYPLUOZCHYQJNC-OAHLLOKOSA-N 2 1 259.397 2.360 10 0 CEAEMP CCC[NH2+][C@H](CCC1CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722245 180240816 /nfs/dbraw/zinc/24/08/16/180240816.db2.gz JXNVHCOVQHKWSR-OAGGEKHMSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[NH2+][C@H](CCC1CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722245 180240817 /nfs/dbraw/zinc/24/08/17/180240817.db2.gz JXNVHCOVQHKWSR-OAGGEKHMSA-N 2 1 266.429 2.408 10 0 CEAEMP CCC[N@@H+]([C@@H]1CCN(C2CC2)C1)C1CCC([NH3+])CC1 ZINC000091851659 180272649 /nfs/dbraw/zinc/27/26/49/180272649.db2.gz RMPQWPDYNQBLSO-AVVWSFFYSA-N 2 1 265.445 2.205 10 0 CEAEMP CCC[N@@H+](Cc1cc(CC)nn1C)C1CCC([NH3+])CC1 ZINC000091852358 180272801 /nfs/dbraw/zinc/27/28/01/180272801.db2.gz MRWWIXQJYKESKO-UHFFFAOYSA-N 2 1 278.444 2.464 10 0 CEAEMP CCC[N@@H+](Cc1cc(C)on1)C1CCC([NH3+])CC1 ZINC000091852350 180273051 /nfs/dbraw/zinc/27/30/51/180273051.db2.gz GPRVOCHSMZURRN-UHFFFAOYSA-N 2 1 251.374 2.465 10 0 CEAEMP Cc1nn(C)c(C[N@H+](C)C2CCC([NH3+])CC2)c1Cl ZINC000091846790 180269912 /nfs/dbraw/zinc/26/99/12/180269912.db2.gz CTGGRNLXSGWZLD-UHFFFAOYSA-N 2 1 270.808 2.084 10 0 CEAEMP Cc1nn(C)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1Cl ZINC000091846790 180269915 /nfs/dbraw/zinc/26/99/15/180269915.db2.gz CTGGRNLXSGWZLD-UHFFFAOYSA-N 2 1 270.808 2.084 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)C1CCC2(CC1)OCCO2 ZINC000091850019 180271757 /nfs/dbraw/zinc/27/17/57/180271757.db2.gz IWKWJGKQEFHAEK-UHFFFAOYSA-N 2 1 282.428 2.264 10 0 CEAEMP CC[N@@H+]([C@@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091850754 180271822 /nfs/dbraw/zinc/27/18/22/180271822.db2.gz RDKDHBWMFVABMS-OPFPJEHXSA-N 2 1 281.444 2.026 10 0 CEAEMP CC[N@@H+](Cc1nnc(-c2ccco2)o1)C1CCC([NH3+])CC1 ZINC000091850810 180271908 /nfs/dbraw/zinc/27/19/08/180271908.db2.gz WUOWHLZHKXNBCR-UHFFFAOYSA-N 2 1 290.367 2.421 10 0 CEAEMP CC[N@@H+]([C@@H](C)c1cn(C)nc1C)C1CCC([NH3+])CC1 ZINC000091849972 180272064 /nfs/dbraw/zinc/27/20/64/180272064.db2.gz GYHBBLBUUXKOGU-HSBZDZAISA-N 2 1 264.417 2.381 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2ccccc2F)CC1 ZINC000091870669 180277050 /nfs/dbraw/zinc/27/70/50/180277050.db2.gz FGAZPEMDHNXZCL-UHFFFAOYSA-N 2 1 293.386 2.227 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000091871065 180277139 /nfs/dbraw/zinc/27/71/39/180277139.db2.gz VGJADCQBQJUJFI-UHFFFAOYSA-N 2 1 290.407 2.420 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccoc2C(=O)OC)CC1 ZINC000091873214 180277998 /nfs/dbraw/zinc/27/79/98/180277998.db2.gz YMGKMOXPRGNHSM-UHFFFAOYSA-N 2 1 280.368 2.029 10 0 CEAEMP CCC[NH2+][C@H](C)c1cccn1C[C@@H]1C[N@@H+](CC)CCO1 ZINC000092060276 180315613 /nfs/dbraw/zinc/31/56/13/180315613.db2.gz RNMVYLOUGRTVKI-CABCVRRESA-N 2 1 279.428 2.269 10 0 CEAEMP CC[NH2+]Cc1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092002294 180304333 /nfs/dbraw/zinc/30/43/33/180304333.db2.gz KAUHLLXTUGZEJE-CVEARBPZSA-N 2 1 273.424 2.469 10 0 CEAEMP CC[NH2+]Cc1ccoc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003600 180304700 /nfs/dbraw/zinc/30/47/00/180304700.db2.gz DIQHOENCTBRCST-CABCVRRESA-N 2 1 277.412 2.058 10 0 CEAEMP CC(C)[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000092004688 180305413 /nfs/dbraw/zinc/30/54/13/180305413.db2.gz GLAWIYYWDINYQW-OLZOCXBDSA-N 2 1 294.468 2.314 10 0 CEAEMP CCC[NH2+][C@H](C=C(C)C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092128607 180328792 /nfs/dbraw/zinc/32/87/92/180328792.db2.gz KMBRHOGOBDLUDP-RBSFLKMASA-N 2 1 252.402 2.184 10 0 CEAEMP CCC[NH2+][C@H](C=C(C)C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092128607 180328794 /nfs/dbraw/zinc/32/87/94/180328794.db2.gz KMBRHOGOBDLUDP-RBSFLKMASA-N 2 1 252.402 2.184 10 0 CEAEMP C[C@H]1C[N@@H+](CCCC[C@@](C)(CO)[NH2+]C2CC2)C[C@H]1C ZINC000092090247 180322004 /nfs/dbraw/zinc/32/20/04/180322004.db2.gz LIZJKKWUEPUACU-LZWOXQAQSA-N 2 1 268.445 2.248 10 0 CEAEMP c1ccc2c(c1)OC[C@H]2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092299775 180358615 /nfs/dbraw/zinc/35/86/15/180358615.db2.gz UGXTXCKWZFAFGA-UONOGXRCSA-N 2 1 272.392 2.237 10 0 CEAEMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417250 180381247 /nfs/dbraw/zinc/38/12/47/180381247.db2.gz SZMNDTYONGUVSI-NSHDSACASA-N 2 1 253.777 2.296 10 0 CEAEMP Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CCC[N@H+]1C ZINC000092621691 180415661 /nfs/dbraw/zinc/41/56/61/180415661.db2.gz VDDPMNBVSAYIQE-IHRRRGAJSA-N 2 1 281.469 2.471 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000110977989 186338825 /nfs/dbraw/zinc/33/88/25/186338825.db2.gz GUUHTZRBHAHQJL-HNNXBMFYSA-N 2 1 279.403 2.160 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(Cl)s2)C[C@@H]1C ZINC000110702652 186313969 /nfs/dbraw/zinc/31/39/69/186313969.db2.gz UEPDFQZJLDYOKJ-QWRGUYRKSA-N 2 1 287.860 2.427 10 0 CEAEMP C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110711875 186315410 /nfs/dbraw/zinc/31/54/10/186315410.db2.gz VEFYOWMIGCXNSZ-MELADBBJSA-N 2 1 291.439 2.429 10 0 CEAEMP CCOc1ccccc1[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110712177 186315532 /nfs/dbraw/zinc/31/55/32/186315532.db2.gz DINTYFNMNTXXKE-HNNXBMFYSA-N 2 1 291.439 2.111 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110716909 186315669 /nfs/dbraw/zinc/31/56/69/186315669.db2.gz WWRUKEHXXASRDA-KFWWJZLASA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2C)CC[N@H+]1C ZINC000110710130 186315709 /nfs/dbraw/zinc/31/57/09/186315709.db2.gz GQQZLPQTRJLBBA-HOCLYGCPSA-N 2 1 279.403 2.160 10 0 CEAEMP CC[C@H]1CN(C2(C[NH3+])CCCCCC2)CC[N@H+]1C ZINC000110711112 186315912 /nfs/dbraw/zinc/31/59/12/186315912.db2.gz ORTNDBMAUBUWHQ-AWEZNQCLSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110715030 186315982 /nfs/dbraw/zinc/31/59/82/186315982.db2.gz AHXLYFKFXMLSKL-HRCADAONSA-N 2 1 267.461 2.323 10 0 CEAEMP CC[N@H+]1CCN(CC(C)(C)C[NH2+]C(C)(C)C)C[C@@H]1C ZINC000110745841 186318849 /nfs/dbraw/zinc/31/88/49/186318849.db2.gz OAQCFLHVDAFXCH-AWEZNQCLSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1C[N@@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110753645 186319952 /nfs/dbraw/zinc/31/99/52/186319952.db2.gz FIRIMXMLZMTBAS-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CC[C@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@@H+]1C ZINC000110753645 186319954 /nfs/dbraw/zinc/31/99/54/186319954.db2.gz FIRIMXMLZMTBAS-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CC[C@H]1CN(Cc2oc3ccccc3c2C[NH3+])CC[N@H+]1C ZINC000110753645 186319956 /nfs/dbraw/zinc/31/99/56/186319956.db2.gz FIRIMXMLZMTBAS-ZDUSSCGKSA-N 2 1 287.407 2.418 10 0 CEAEMP CC[C@@H]1CN(c2nc(C)c(C[NH2+]C(C)C)s2)CC[N@H+]1C ZINC000110760267 186323509 /nfs/dbraw/zinc/32/35/09/186323509.db2.gz OJUMBEKOLHVIIP-CYBMUJFWSA-N 2 1 296.484 2.480 10 0 CEAEMP CC(C)C[NH2+]Cc1cccc(C[N@H+](C)CCN(C)C)c1 ZINC000111149527 186359513 /nfs/dbraw/zinc/35/95/13/186359513.db2.gz MRMXQWCJCOSBQH-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP CC(C)C[NH2+]Cc1cccc(C[N@@H+](C)CCN(C)C)c1 ZINC000111149527 186359515 /nfs/dbraw/zinc/35/95/15/186359515.db2.gz MRMXQWCJCOSBQH-UHFFFAOYSA-N 2 1 277.456 2.426 10 0 CEAEMP C[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1CCOCC1 ZINC000111172684 186365459 /nfs/dbraw/zinc/36/54/59/186365459.db2.gz MZIXGOHHNFXBMX-HUUCEWRRSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320655 186397415 /nfs/dbraw/zinc/39/74/15/186397415.db2.gz STXAJICJQGBPRB-HZPDHXFCSA-N 2 1 262.397 2.262 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320655 186397416 /nfs/dbraw/zinc/39/74/16/186397416.db2.gz STXAJICJQGBPRB-HZPDHXFCSA-N 2 1 262.397 2.262 10 0 CEAEMP CCC[NH2+]C[C@@]1(C[N@@H+](CC)C2CC2)CCCOC1 ZINC000111324693 186398653 /nfs/dbraw/zinc/39/86/53/186398653.db2.gz YBGBPYUQCPBCIR-OAHLLOKOSA-N 2 1 254.418 2.267 10 0 CEAEMP C[N@@H+](CC1CCCCC1)C[C@]1(C[NH3+])CCCOC1 ZINC000111328409 186399772 /nfs/dbraw/zinc/39/97/72/186399772.db2.gz IFZONKTXDZPONO-OAHLLOKOSA-N 2 1 254.418 2.254 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111329799 186399871 /nfs/dbraw/zinc/39/98/71/186399871.db2.gz RGYBHAQDVCXBMX-MRXNPFEDSA-N 2 1 286.460 2.140 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCn3ccnc3)C2)[nH+]1 ZINC000183180455 189349286 /nfs/dbraw/zinc/34/92/86/189349286.db2.gz OTEFJXSAHRXPCD-MRXNPFEDSA-N 2 1 299.422 2.411 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCn3ccnc3)C2)[nH+]1 ZINC000183180455 189349287 /nfs/dbraw/zinc/34/92/87/189349287.db2.gz OTEFJXSAHRXPCD-MRXNPFEDSA-N 2 1 299.422 2.411 10 0 CEAEMP CC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000103474060 364658455 /nfs/dbraw/zinc/65/84/55/364658455.db2.gz CGAVAABRSIEXGL-CQSZACIVSA-N 2 1 261.369 2.103 10 0 CEAEMP CC(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000103474060 364658457 /nfs/dbraw/zinc/65/84/57/364658457.db2.gz CGAVAABRSIEXGL-CQSZACIVSA-N 2 1 261.369 2.103 10 0 CEAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1ccc3c[nH]nc3c1)C2 ZINC000275625130 193088903 /nfs/dbraw/zinc/08/89/03/193088903.db2.gz RYRIEMSGCMAVAJ-CYBMUJFWSA-N 2 1 281.363 2.112 10 0 CEAEMP C[C@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631842918 367583074 /nfs/dbraw/zinc/58/30/74/367583074.db2.gz HIZOTWLHYULNID-JSGCOSHPSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631842918 367583079 /nfs/dbraw/zinc/58/30/79/367583079.db2.gz HIZOTWLHYULNID-JSGCOSHPSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCS1 ZINC000261998563 291390666 /nfs/dbraw/zinc/39/06/66/291390666.db2.gz UIHRVWWVRBFZCH-GBJTYRQASA-N 2 1 284.469 2.019 10 0 CEAEMP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000174979854 368086182 /nfs/dbraw/zinc/08/61/82/368086182.db2.gz AONQVBOOEKNMLT-HNNXBMFYSA-N 2 1 286.379 2.260 10 0 CEAEMP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000174979854 368086189 /nfs/dbraw/zinc/08/61/89/368086189.db2.gz AONQVBOOEKNMLT-HNNXBMFYSA-N 2 1 286.379 2.260 10 0 CEAEMP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000174979869 368086714 /nfs/dbraw/zinc/08/67/14/368086714.db2.gz AONQVBOOEKNMLT-OAHLLOKOSA-N 2 1 286.379 2.260 10 0 CEAEMP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000174979869 368086716 /nfs/dbraw/zinc/08/67/16/368086716.db2.gz AONQVBOOEKNMLT-OAHLLOKOSA-N 2 1 286.379 2.260 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000185359326 368795214 /nfs/dbraw/zinc/79/52/14/368795214.db2.gz ONDQYKAYBCKONV-OAHLLOKOSA-N 2 1 295.471 2.228 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccnc(N)c3)C2)[nH+]1 ZINC000191504339 369720158 /nfs/dbraw/zinc/72/01/58/369720158.db2.gz CQQGBOVNWVOHFF-HNNXBMFYSA-N 2 1 297.406 2.301 10 0 CEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccnc(N)c3)C2)[nH+]1 ZINC000191504339 369720161 /nfs/dbraw/zinc/72/01/61/369720161.db2.gz CQQGBOVNWVOHFF-HNNXBMFYSA-N 2 1 297.406 2.301 10 0 CEAEMP Cc1cccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231670935 189814589 /nfs/dbraw/zinc/81/45/89/189814589.db2.gz PHDNPKCOUDSLOW-HNNXBMFYSA-N 2 1 262.397 2.448 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000261577495 371659305 /nfs/dbraw/zinc/65/93/05/371659305.db2.gz CSXBJPXBXXOOPT-SGMGOOAPSA-N 2 1 264.344 2.003 10 0 CEAEMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000261925468 371773235 /nfs/dbraw/zinc/77/32/35/371773235.db2.gz CBKAFCSPQMYMTL-RDJZCZTQSA-N 2 1 289.467 2.424 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]12 ZINC000261986723 371789360 /nfs/dbraw/zinc/78/93/60/371789360.db2.gz RYGFGUBYGZFCND-DDTOSNHZSA-N 2 1 288.420 2.307 10 0 CEAEMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262027617 371803104 /nfs/dbraw/zinc/80/31/04/371803104.db2.gz XEUWXLACLBZTBR-KZNAEPCWSA-N 2 1 288.435 2.284 10 0 CEAEMP c1cc2c(cc1C[N@H+]1CCO[C@@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000211319082 541861308 /nfs/dbraw/zinc/86/13/08/541861308.db2.gz PZUVWJAGDCOMED-ZWKOTPCHSA-N 2 1 286.419 2.476 10 0 CEAEMP CCn1nc(C)c([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c1C ZINC000312730561 376726710 /nfs/dbraw/zinc/72/67/10/376726710.db2.gz JDMZIWCFIJGAGX-LLVKDONJSA-N 2 1 275.400 2.376 10 0 CEAEMP C[C@H](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)[NH2+]CC[NH3+] ZINC000093486057 184683126 /nfs/dbraw/zinc/68/31/26/184683126.db2.gz AKHUSPDVDTXLFU-OLZOCXBDSA-N 2 1 285.432 2.103 10 0 CEAEMP CCC[NH2+][C@]1(C(N)=O)CCC[C@H]([NH+](CCC)CCC)C1 ZINC000093749170 184713240 /nfs/dbraw/zinc/71/32/40/184713240.db2.gz VADAMSPGAOQAHA-GOEBONIOSA-N 2 1 283.460 2.275 10 0 CEAEMP CC(C)([NH3+])CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000084188222 135032267 /nfs/dbraw/zinc/03/22/67/135032267.db2.gz REAPPLNAPJURAR-UHFFFAOYSA-N 2 1 265.376 2.075 10 0 CEAEMP c1cc(C[NH2+]C2CC2)cc(N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000094443194 135088561 /nfs/dbraw/zinc/08/85/61/135088561.db2.gz MGAITAJUOSEVFC-MRXNPFEDSA-N 2 1 286.423 2.008 10 0 CEAEMP [NH3+]CCc1cc(F)ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094444563 135088648 /nfs/dbraw/zinc/08/86/48/135088648.db2.gz JZXWQSRFXRVISB-OAHLLOKOSA-N 2 1 277.387 2.001 10 0 CEAEMP CCC[NH2+]Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094443225 135089000 /nfs/dbraw/zinc/08/90/00/135089000.db2.gz ODUYECYTAMTAGF-QGZVFWFLSA-N 2 1 288.439 2.256 10 0 CEAEMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000381143299 395172902 /nfs/dbraw/zinc/17/29/02/395172902.db2.gz KAPLKHCSBTUSRI-UAGQMJEPSA-N 2 1 274.408 2.351 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)C[C@H]12 ZINC000389155996 400537180 /nfs/dbraw/zinc/53/71/80/400537180.db2.gz YAIFTVRPCIQIOW-APIJFGDWSA-N 2 1 264.413 2.147 10 0 CEAEMP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159889010 162319024 /nfs/dbraw/zinc/31/90/24/162319024.db2.gz AVOPAYDGRAULLK-JTQLQIEISA-N 2 1 284.201 2.280 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000180122628 165297028 /nfs/dbraw/zinc/29/70/28/165297028.db2.gz OIFPVUJAKHUTJJ-LBPRGKRZSA-N 2 1 262.382 2.313 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000180122628 165297029 /nfs/dbraw/zinc/29/70/29/165297029.db2.gz OIFPVUJAKHUTJJ-LBPRGKRZSA-N 2 1 262.382 2.313 10 0 CEAEMP CC(C)CCNC(=O)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020367481 171165904 /nfs/dbraw/zinc/16/59/04/171165904.db2.gz ZAJLELCWMZYKAM-JKSUJKDBSA-N 2 1 297.487 2.391 10 0 CEAEMP CC(C)CCNC(=O)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020367481 171165905 /nfs/dbraw/zinc/16/59/05/171165905.db2.gz ZAJLELCWMZYKAM-JKSUJKDBSA-N 2 1 297.487 2.391 10 0 CEAEMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1O ZINC000040591803 174347653 /nfs/dbraw/zinc/34/76/53/174347653.db2.gz NAKIGEXWJJQKSE-CQSZACIVSA-N 2 1 278.396 2.222 10 0 CEAEMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1O ZINC000040591803 174347654 /nfs/dbraw/zinc/34/76/54/174347654.db2.gz NAKIGEXWJJQKSE-CQSZACIVSA-N 2 1 278.396 2.222 10 0 CEAEMP CCC[N@@H+](C1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747618 174392891 /nfs/dbraw/zinc/39/28/91/174392891.db2.gz CMNIXTFAVUZKNM-MZBDJJRSSA-N 3 1 265.445 2.076 10 0 CEAEMP CCCN(C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747618 174392893 /nfs/dbraw/zinc/39/28/93/174392893.db2.gz CMNIXTFAVUZKNM-MZBDJJRSSA-N 3 1 265.445 2.076 10 0 CEAEMP COC(=O)CCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040769259 174399208 /nfs/dbraw/zinc/39/92/08/174399208.db2.gz PFYDDNIAOLPYGC-MZBDJJRSSA-N 2 1 282.428 2.038 10 0 CEAEMP COC(=O)CCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040769259 174399210 /nfs/dbraw/zinc/39/92/10/174399210.db2.gz PFYDDNIAOLPYGC-MZBDJJRSSA-N 2 1 282.428 2.038 10 0 CEAEMP CCc1nc(NCc2ccccc2C[NH2+]C)cc(C)[nH+]1 ZINC000404559431 414786402 /nfs/dbraw/zinc/78/64/02/414786402.db2.gz UIQQHIFAAAAAJP-UHFFFAOYSA-N 2 1 270.380 2.101 10 0 CEAEMP COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1F ZINC000311694694 414859913 /nfs/dbraw/zinc/85/99/13/414859913.db2.gz SUJBSSFBPCMDIZ-DRZSPHRISA-N 2 1 264.344 2.003 10 0 CEAEMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1F ZINC000311694694 414859916 /nfs/dbraw/zinc/85/99/16/414859916.db2.gz SUJBSSFBPCMDIZ-DRZSPHRISA-N 2 1 264.344 2.003 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971359 175132622 /nfs/dbraw/zinc/13/26/22/175132622.db2.gz PBPSBPBPTYPUDE-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCO[C@@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971359 175132623 /nfs/dbraw/zinc/13/26/23/175132623.db2.gz PBPSBPBPTYPUDE-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](Cn2c(N)[nH+]c3ccccc32)C1 ZINC000045136011 175313447 /nfs/dbraw/zinc/31/34/47/175313447.db2.gz GTLQLWMJHCREHR-LBPRGKRZSA-N 2 1 258.369 2.349 10 0 CEAEMP CCC[NH2+][C@@](C)(CC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045273856 175344410 /nfs/dbraw/zinc/34/44/10/175344410.db2.gz UOJGLNDMTBSCES-INIZCTEOSA-N 2 1 285.476 2.234 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045370733 175364568 /nfs/dbraw/zinc/36/45/68/175364568.db2.gz ACAYFXADVJXAEZ-HNNXBMFYSA-N 2 1 271.449 2.132 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375842 175366528 /nfs/dbraw/zinc/36/65/28/175366528.db2.gz DHZKRMPOOAITGT-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378087 175367451 /nfs/dbraw/zinc/36/74/51/175367451.db2.gz YFUYAQSPQTYVBS-AWEZNQCLSA-N 2 1 258.406 2.037 10 0 CEAEMP COC(=O)[C@](C)(CCC[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC000045378087 175367452 /nfs/dbraw/zinc/36/74/52/175367452.db2.gz YFUYAQSPQTYVBS-AWEZNQCLSA-N 2 1 258.406 2.037 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381420 175369786 /nfs/dbraw/zinc/36/97/86/175369786.db2.gz NKGMARMNYHINQU-JSGCOSHPSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381420 175369787 /nfs/dbraw/zinc/36/97/87/175369787.db2.gz NKGMARMNYHINQU-JSGCOSHPSA-N 2 1 258.406 2.038 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CCC)C(C)C)C(N)=O ZINC000045386051 175371930 /nfs/dbraw/zinc/37/19/30/175371930.db2.gz WBENEIXGQISQQD-OAHLLOKOSA-N 2 1 271.449 2.131 10 0 CEAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045387506 175372646 /nfs/dbraw/zinc/37/26/46/175372646.db2.gz GQOHNLJCUFKUAT-MRXNPFEDSA-N 2 1 281.444 2.027 10 0 CEAEMP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045388124 175373811 /nfs/dbraw/zinc/37/38/11/175373811.db2.gz UUZDIHVXZBHYOO-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000045388124 175373812 /nfs/dbraw/zinc/37/38/12/175373812.db2.gz UUZDIHVXZBHYOO-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CCC[C@@H](CC)C1 ZINC000045393466 175376013 /nfs/dbraw/zinc/37/60/13/175376013.db2.gz IXRILYXLQDGAJS-HIFRSBDPSA-N 2 1 270.417 2.169 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1CCC[C@@H](CC)C1 ZINC000045393466 175376015 /nfs/dbraw/zinc/37/60/15/175376015.db2.gz IXRILYXLQDGAJS-HIFRSBDPSA-N 2 1 270.417 2.169 10 0 CEAEMP C[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(N)=O ZINC000045419141 175377314 /nfs/dbraw/zinc/37/73/14/175377314.db2.gz KUCVXRYRWJLMHS-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071124900 176035103 /nfs/dbraw/zinc/03/51/03/176035103.db2.gz VPJWFKMYOKBSKO-ARFHVFGLSA-N 2 1 267.461 2.168 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCCc2ccccc21 ZINC000071148511 176043977 /nfs/dbraw/zinc/04/39/77/176043977.db2.gz VREZZTGXKPUFJZ-GOSISDBHSA-N 2 1 287.451 2.291 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000071161680 176046024 /nfs/dbraw/zinc/04/60/24/176046024.db2.gz YHGFTGBQXCWXIA-ZFWWWQNUSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000071161680 176046026 /nfs/dbraw/zinc/04/60/26/176046026.db2.gz YHGFTGBQXCWXIA-ZFWWWQNUSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000071162185 176046527 /nfs/dbraw/zinc/04/65/27/176046527.db2.gz DHQFBXYTKKXONO-BBWFWOEESA-N 2 1 279.472 2.454 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])[C@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071188717 176063349 /nfs/dbraw/zinc/06/33/49/176063349.db2.gz DSIPWUJWJTTXJP-UXLLHSPISA-N 2 1 275.440 2.267 10 0 CEAEMP CC[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188687 176063529 /nfs/dbraw/zinc/06/35/29/176063529.db2.gz QMWPGRRIVZPOFM-OIISXLGYSA-N 2 1 275.440 2.349 10 0 CEAEMP Cc1cc(C)c([C@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188776 176063590 /nfs/dbraw/zinc/06/35/90/176063590.db2.gz QOCNCRCPMFSOKJ-IAGOWNOFSA-N 2 1 289.467 2.495 10 0 CEAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188869 176063705 /nfs/dbraw/zinc/06/37/05/176063705.db2.gz PXVQIFMVLGKBSH-RBSFLKMASA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188811 176063709 /nfs/dbraw/zinc/06/37/09/176063709.db2.gz ARHSWVWFUOWJPD-OLMNPRSZSA-N 2 1 287.451 2.145 10 0 CEAEMP C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189000 176064854 /nfs/dbraw/zinc/06/48/54/176064854.db2.gz JZKBBHAOMRZYLG-OAGGEKHMSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)C[NH2+]CC(C)(C)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191517 176069356 /nfs/dbraw/zinc/06/93/56/176069356.db2.gz HTBPSPQNHAPPDA-HNNXBMFYSA-N 2 1 269.477 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191308 176069462 /nfs/dbraw/zinc/06/94/62/176069462.db2.gz SGKOAYISVMIRBV-OWCLPIDISA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)C[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191964 176071859 /nfs/dbraw/zinc/07/18/59/176071859.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 2 1 293.455 2.409 10 0 CEAEMP CCC(C)(C)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192303 176073077 /nfs/dbraw/zinc/07/30/77/176073077.db2.gz LSKJNJQDNNYHMO-UONOGXRCSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[C@@]1(C[NH2+]Cc2scnc2C)CC[NH2+]C1 ZINC000071213778 176085227 /nfs/dbraw/zinc/08/52/27/176085227.db2.gz COWIKKQXPRICND-CYBMUJFWSA-N 2 1 253.415 2.321 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071290061 176110618 /nfs/dbraw/zinc/11/06/18/176110618.db2.gz IHXUWZLIHZAWBM-OAHLLOKOSA-N 3 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071290061 176110619 /nfs/dbraw/zinc/11/06/19/176110619.db2.gz IHXUWZLIHZAWBM-OAHLLOKOSA-N 3 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071290061 176110621 /nfs/dbraw/zinc/11/06/21/176110621.db2.gz IHXUWZLIHZAWBM-OAHLLOKOSA-N 3 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[N@H+](C)C[C@H]1CCN(C)C1 ZINC000071290061 176110623 /nfs/dbraw/zinc/11/06/23/176110623.db2.gz IHXUWZLIHZAWBM-OAHLLOKOSA-N 2 1 255.450 2.040 10 0 CEAEMP CC[NH2+]CCCCCC[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000071290061 176110624 /nfs/dbraw/zinc/11/06/24/176110624.db2.gz IHXUWZLIHZAWBM-OAHLLOKOSA-N 2 1 255.450 2.040 10 0 CEAEMP [NH3+][C@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000071613649 176233240 /nfs/dbraw/zinc/23/32/40/176233240.db2.gz OLPLSJBZHSPNJI-IRXDYDNUSA-N 2 1 273.424 2.074 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079537879 177518110 /nfs/dbraw/zinc/51/81/10/177518110.db2.gz GXFDKQFTZOXCES-VRKREXBASA-N 2 1 268.445 2.497 10 0 CEAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000390555419 262216884 /nfs/dbraw/zinc/21/68/84/262216884.db2.gz LFUUICPNYHESCS-DLBZAZTESA-N 2 1 287.451 2.239 10 0 CEAEMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261825553 275073721 /nfs/dbraw/zinc/07/37/21/275073721.db2.gz UGJXFFFITSEQBI-ZBFHGGJFSA-N 2 1 267.376 2.276 10 0 CEAEMP Brc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)cs1 ZINC000397980231 280689117 /nfs/dbraw/zinc/68/91/17/280689117.db2.gz DZBXYRUDKJCAIW-QMMMGPOBSA-N 2 1 275.215 2.210 10 0 CEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262281926 289259351 /nfs/dbraw/zinc/25/93/51/289259351.db2.gz LGKIHRQXPNLRIY-ILXRZTDVSA-N 2 1 295.471 2.131 10 0 CEAEMP CC(C)[NH2+]CC(C)(C)C[N@H+]1CCC[C@H]1CCCO ZINC000052763380 519719785 /nfs/dbraw/zinc/71/97/85/519719785.db2.gz UOKWBVQLTMDXIU-AWEZNQCLSA-N 2 1 256.434 2.248 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068647045 519739824 /nfs/dbraw/zinc/73/98/24/519739824.db2.gz LHLQFXLSEVCJBR-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068647045 519739826 /nfs/dbraw/zinc/73/98/26/519739826.db2.gz LHLQFXLSEVCJBR-CZUORRHYSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)C[NH2+]CCCC[N@H+]1CCC[C@H]1CN(C)C ZINC000061654407 519743453 /nfs/dbraw/zinc/74/34/53/519743453.db2.gz SZGWZYAZVDYOIJ-HNNXBMFYSA-N 2 1 255.450 2.038 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507222 519745708 /nfs/dbraw/zinc/74/57/08/519745708.db2.gz NHLFIHIWZNPGCT-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CCOC)[C@@H](C)COC ZINC000052572400 519913257 /nfs/dbraw/zinc/91/32/57/519913257.db2.gz QMFSYLSASGHAAN-CABCVRRESA-N 2 1 274.449 2.138 10 0 CEAEMP CCCCC[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052454807 520149060 /nfs/dbraw/zinc/14/90/60/520149060.db2.gz GMKOLLXSCGPNRV-UHFFFAOYSA-N 2 1 281.448 2.288 10 0 CEAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](CC)CCO ZINC000054560042 520217055 /nfs/dbraw/zinc/21/70/55/520217055.db2.gz FRKYYOAGLCQNMX-OAGGEKHMSA-N 2 1 270.461 2.351 10 0 CEAEMP CCCO[C@@H]1CCC[N@@H+](Cc2ccoc2C[NH3+])C1 ZINC000052371577 520272827 /nfs/dbraw/zinc/27/28/27/520272827.db2.gz AQPPEUATHFDVKL-CYBMUJFWSA-N 2 1 252.358 2.129 10 0 CEAEMP CC[N@@H+](C[C@@H](C)C[NH2+]CC(C)C)C[C@H]1CCCO1 ZINC000052510636 521202176 /nfs/dbraw/zinc/20/21/76/521202176.db2.gz BYQUBRLEDCIZMP-LSDHHAIUSA-N 2 1 256.434 2.369 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+]1CCCC(C)(C)C1 ZINC000069516433 521326707 /nfs/dbraw/zinc/32/67/07/521326707.db2.gz CRNMYQVVTRBUQJ-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@H+]1CCCC(C)(C)C1 ZINC000069516433 521326714 /nfs/dbraw/zinc/32/67/14/521326714.db2.gz CRNMYQVVTRBUQJ-OAHLLOKOSA-N 2 1 270.417 2.169 10 0 CEAEMP C[NH2+]CCC[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484226 521998471 /nfs/dbraw/zinc/99/84/71/521998471.db2.gz NUZFFTDXLSXLHZ-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)[NH2+]Cc1occc1C[N@@H+](C)C1CCOCC1 ZINC000052481178 519730068 /nfs/dbraw/zinc/73/00/68/519730068.db2.gz RDMVILYWGLUVME-UHFFFAOYSA-N 2 1 266.385 2.388 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000052570407 519743224 /nfs/dbraw/zinc/74/32/24/519743224.db2.gz GMOVGSJZEVYVDM-UHFFFAOYSA-N 2 1 266.433 2.268 10 0 CEAEMP CC(C)C[NH2+]Cc1ccoc1CN1CC[NH+](C2CC2)CC1 ZINC000052371297 519748170 /nfs/dbraw/zinc/74/81/70/519748170.db2.gz WCUAXXRGUGZADI-UHFFFAOYSA-N 2 1 291.439 2.305 10 0 CEAEMP CC(C)[C@H](CN(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000049195241 519814430 /nfs/dbraw/zinc/81/44/30/519814430.db2.gz GJZVHLXSOWQLBT-HNNXBMFYSA-N 2 1 255.450 2.035 10 0 CEAEMP CCC[NH2+]CCCCC[N@H+]1CCC[C@H]1CN(C)C ZINC000061654651 519911593 /nfs/dbraw/zinc/91/15/93/519911593.db2.gz BHBDQGWRRLYXLS-HNNXBMFYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1 ZINC000052476044 519948557 /nfs/dbraw/zinc/94/85/57/519948557.db2.gz RPAXHMKQTOBGIV-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[N@H+]2CCOC[C@H]2C)cc1 ZINC000052476044 519948565 /nfs/dbraw/zinc/94/85/65/519948565.db2.gz RPAXHMKQTOBGIV-CQSZACIVSA-N 2 1 262.397 2.407 10 0 CEAEMP CCC[NH2+]Cc1ccccc1CN1CCC[N@@H+](C)CC1 ZINC000052424410 519956032 /nfs/dbraw/zinc/95/60/32/519956032.db2.gz GAROPODCGBJEEM-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@@H+]1CCCN(C)CC1 ZINC000052424410 519956037 /nfs/dbraw/zinc/95/60/37/519956037.db2.gz GAROPODCGBJEEM-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1CCCN(C)CC1 ZINC000052424410 519956047 /nfs/dbraw/zinc/95/60/47/519956047.db2.gz GAROPODCGBJEEM-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CC[NH2+]C[C@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069262685 519983754 /nfs/dbraw/zinc/98/37/54/519983754.db2.gz XTVZIILEKPBVTC-HNNXBMFYSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)[C@H](C)COC ZINC000052511620 520008719 /nfs/dbraw/zinc/00/87/19/520008719.db2.gz FUWCJYMPHRTOFR-CQSZACIVSA-N 2 1 280.412 2.142 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)C(C)(C)CC)C(N)=O ZINC000069446616 520034425 /nfs/dbraw/zinc/03/44/25/520034425.db2.gz SISPABZRIFOORS-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643370 520172385 /nfs/dbraw/zinc/17/23/85/520172385.db2.gz HHRSXOMJTHLBRY-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CCCO[C@@H]1CCC[N@@H+](CC2(C[NH2+]CC)CCOCC2)C1 ZINC000052198031 520271463 /nfs/dbraw/zinc/27/14/63/520271463.db2.gz QEJZMFISRDKDTL-MRXNPFEDSA-N 2 1 298.471 2.284 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1cccc(C)c1 ZINC000062740994 520515652 /nfs/dbraw/zinc/51/56/52/520515652.db2.gz QDOVQAZJBKWIMF-HNNXBMFYSA-N 2 1 250.386 2.181 10 0 CEAEMP CCCC[C@@](CC)(C[NH3+])[N@@H+](CCOC)[C@@H](C)COC ZINC000069380465 521121050 /nfs/dbraw/zinc/12/10/50/521121050.db2.gz FWFSYTHZWYJKJP-GJZGRUSLSA-N 2 1 274.449 2.267 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C(C)(C)CC)[NH2+]C ZINC000069443269 521318958 /nfs/dbraw/zinc/31/89/58/521318958.db2.gz PWCZQHHIQUGSCK-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C(C)(C)CC)[NH2+]C ZINC000069443269 521318968 /nfs/dbraw/zinc/31/89/68/521318968.db2.gz PWCZQHHIQUGSCK-HNNXBMFYSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[N@H+](Cc1ccco1)CC1(C[NH2+]C)CCOCC1 ZINC000052197639 521397877 /nfs/dbraw/zinc/39/78/77/521397877.db2.gz PJFDFASIUUYEQY-UHFFFAOYSA-N 2 1 266.385 2.118 10 0 CEAEMP CC[N@@H+](Cc1ccco1)CC1(C[NH2+]C)CCOCC1 ZINC000052197639 521397881 /nfs/dbraw/zinc/39/78/81/521397881.db2.gz PJFDFASIUUYEQY-UHFFFAOYSA-N 2 1 266.385 2.118 10 0 CEAEMP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)CCN(C)C)CC1 ZINC000049553837 521584195 /nfs/dbraw/zinc/58/41/95/521584195.db2.gz YZZAHSGWWSZPAN-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@@H+](CCO)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560236 521667421 /nfs/dbraw/zinc/66/74/21/521667421.db2.gz DHMDYOQTUWDPNK-ILXRZTDVSA-N 2 1 256.434 2.090 10 0 CEAEMP CC[C@@H](C)C[N@H+]1CCCN(CCCCC[NH3+])CC1 ZINC000050424204 521988102 /nfs/dbraw/zinc/98/81/02/521988102.db2.gz PZCGROKCGXDOAC-OAHLLOKOSA-N 2 1 255.450 2.169 10 0 CEAEMP CC[C@@H](C)CN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000050424204 521988115 /nfs/dbraw/zinc/98/81/15/521988115.db2.gz PZCGROKCGXDOAC-OAHLLOKOSA-N 2 1 255.450 2.169 10 0 CEAEMP CC[C@@H](C)CN1CCC[N@@H+](CCCCC[NH3+])CC1 ZINC000050424204 521988120 /nfs/dbraw/zinc/98/81/20/521988120.db2.gz PZCGROKCGXDOAC-OAHLLOKOSA-N 2 1 255.450 2.169 10 0 CEAEMP CC[C@H]([C@H]([NH3+])c1ccccc1)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053244876 522929994 /nfs/dbraw/zinc/92/99/94/522929994.db2.gz BGLZFDWJUSCMGN-BRWVUGGUSA-N 2 1 275.440 2.491 10 0 CEAEMP COCC[N@H+](C)CCNC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000061380051 523600659 /nfs/dbraw/zinc/60/06/59/523600659.db2.gz XVBGYZACRJMBFE-UHFFFAOYSA-N 2 1 299.484 2.206 10 0 CEAEMP COCC[N@@H+](C)CCNC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000061380051 523600675 /nfs/dbraw/zinc/60/06/75/523600675.db2.gz XVBGYZACRJMBFE-UHFFFAOYSA-N 2 1 299.484 2.206 10 0 CEAEMP COCC[N@@H+](CCCCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572421 523693256 /nfs/dbraw/zinc/69/32/56/523693256.db2.gz HDFHNVVPBKLYHT-INIZCTEOSA-N 2 1 288.476 2.386 10 0 CEAEMP COCC[N@@H+](Cc1occc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052572320 523778121 /nfs/dbraw/zinc/77/81/21/523778121.db2.gz VYCLHAQTWVPFEB-ZDUSSCGKSA-N 2 1 296.411 2.015 10 0 CEAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+]1CCCN(C)CC1 ZINC000052424316 524142541 /nfs/dbraw/zinc/14/25/41/524142541.db2.gz KRYUMYJUTCMONT-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055125546 524362994 /nfs/dbraw/zinc/36/29/94/524362994.db2.gz IYYGACLSQZHPJF-JONQDZQNSA-N 2 1 295.471 2.131 10 0 CEAEMP C[C@H]1COCC[N@@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052475967 524725192 /nfs/dbraw/zinc/72/51/92/524725192.db2.gz MGRSZJAKMBZBAQ-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP C[C@H]1COCC[N@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052475967 524725197 /nfs/dbraw/zinc/72/51/97/524725197.db2.gz MGRSZJAKMBZBAQ-NSHDSACASA-N 2 1 260.337 2.112 10 0 CEAEMP COc1cccc(C[N@H+](C)Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068761343 525914391 /nfs/dbraw/zinc/91/43/91/525914391.db2.gz KNNLIOCBKQWJEP-UHFFFAOYSA-N 2 1 284.363 2.006 10 0 CEAEMP COc1cccc(C[N@@H+](C)Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068761343 525914407 /nfs/dbraw/zinc/91/44/07/525914407.db2.gz KNNLIOCBKQWJEP-UHFFFAOYSA-N 2 1 284.363 2.006 10 0 CEAEMP c1ccc(C[NH+]2CCN(CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764566 526469975 /nfs/dbraw/zinc/46/99/75/526469975.db2.gz VJDIJHSDINMTNZ-SFHVURJKSA-N 2 1 287.451 2.336 10 0 CEAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182006 527163887 /nfs/dbraw/zinc/16/38/87/527163887.db2.gz UUPHXTZMTDXDIJ-GJZGRUSLSA-N 2 1 266.429 2.397 10 0 CEAEMP Cc1[nH+]ccn1-c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798093 527368978 /nfs/dbraw/zinc/36/89/78/527368978.db2.gz MLGVFBMRBOYGNB-UHFFFAOYSA-N 2 1 251.293 2.013 10 0 CEAEMP C[NH2+][C@H](C)C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000091402386 536389250 /nfs/dbraw/zinc/38/92/50/536389250.db2.gz GHOHFPGQAZFRGI-OAHLLOKOSA-N 2 1 275.440 2.443 10 0 CEAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC1(CC1)C1(CCC1)O2 ZINC000757138707 574510161 /nfs/dbraw/zinc/51/01/61/574510161.db2.gz DJHZODMSYSFTAL-HNNXBMFYSA-N 2 1 250.386 2.121 10 0 CEAEMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000309796355 627873381 /nfs/dbraw/zinc/87/33/81/627873381.db2.gz QFMCGICHXBFKOW-YDZRNGNQSA-N 2 1 299.462 2.191 10 0 CEAEMP C[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000309796355 627873386 /nfs/dbraw/zinc/87/33/86/627873386.db2.gz QFMCGICHXBFKOW-YDZRNGNQSA-N 2 1 299.462 2.191 10 0 CEAEMP C[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000309796355 627873389 /nfs/dbraw/zinc/87/33/89/627873389.db2.gz QFMCGICHXBFKOW-YDZRNGNQSA-N 2 1 299.462 2.191 10 0 CEAEMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000309796355 627873394 /nfs/dbraw/zinc/87/33/94/627873394.db2.gz QFMCGICHXBFKOW-YDZRNGNQSA-N 2 1 299.462 2.191 10 0 CEAEMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000309796355 627873402 /nfs/dbraw/zinc/87/34/02/627873402.db2.gz QFMCGICHXBFKOW-YDZRNGNQSA-N 2 1 299.462 2.191 10 0 CEAEMP CCc1nc(NCc2ccc(CC[NH3+])cc2)cc(C)[nH+]1 ZINC000312439502 628264945 /nfs/dbraw/zinc/26/49/45/628264945.db2.gz AXQYDHQNTHHEIW-UHFFFAOYSA-N 2 1 270.380 2.461 10 0 CEAEMP CC[C@H]1C[NH+](Cc2cc(C#CC[NH3+])cs2)C[C@H](CC)O1 ZINC000398374526 628525426 /nfs/dbraw/zinc/52/54/26/628525426.db2.gz KAVFLGTWAAPUEA-GJZGRUSLSA-N 2 1 292.448 2.448 10 0 CEAEMP C[C@]1(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000250788128 628935740 /nfs/dbraw/zinc/93/57/40/628935740.db2.gz HGALWXJVSFPCNF-ILXRZTDVSA-N 2 1 252.402 2.020 10 0 CEAEMP C[C@]1(C[N@H+]2CCO[C@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000250788128 628935743 /nfs/dbraw/zinc/93/57/43/628935743.db2.gz HGALWXJVSFPCNF-ILXRZTDVSA-N 2 1 252.402 2.020 10 0 CEAEMP c1coc([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000133567038 652665560 /nfs/dbraw/zinc/66/55/60/652665560.db2.gz NPRMFHVLQUQJMT-CABCVRRESA-N 2 1 277.412 2.148 10 0 CEAEMP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082728995 178245355 /nfs/dbraw/zinc/24/53/55/178245355.db2.gz VBGCYWBAEZHRIR-GDBMZVCRSA-N 2 1 260.381 2.269 10 0 CEAEMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082728995 178245357 /nfs/dbraw/zinc/24/53/57/178245357.db2.gz VBGCYWBAEZHRIR-GDBMZVCRSA-N 2 1 260.381 2.269 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000037644273 361916238 /nfs/dbraw/zinc/91/62/38/361916238.db2.gz YRSCMRMAAXCVQK-CQSZACIVSA-N 2 1 262.397 2.440 10 0 CEAEMP c1cc2c(cc1C[N@H+]1CCO[C@@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000228244252 539325985 /nfs/dbraw/zinc/32/59/85/539325985.db2.gz PZUVWJAGDCOMED-QZTJIDSGSA-N 2 1 286.419 2.476 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052511774 522593967 /nfs/dbraw/zinc/59/39/67/522593967.db2.gz YZDUJBOXEWVZMG-ZDUSSCGKSA-N 2 1 268.401 2.492 10 0 CEAEMP C[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000307399202 344722362 /nfs/dbraw/zinc/72/23/62/344722362.db2.gz VUIBAYGKFDAQJI-LMSBXDPUSA-N 2 1 287.451 2.461 10 0 CEAEMP Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC000306499183 344713752 /nfs/dbraw/zinc/71/37/52/344713752.db2.gz IEGHSFWSPSCABE-UHFFFAOYSA-N 2 1 282.391 2.376 10 0 CEAEMP [NH3+]C[C@@](O)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000085303992 179011411 /nfs/dbraw/zinc/01/14/11/179011411.db2.gz SPIWLXOGOPJPBY-MRXNPFEDSA-N 2 1 262.397 2.099 10 0 CEAEMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000085369561 179039325 /nfs/dbraw/zinc/03/93/25/179039325.db2.gz NNRNLJXMAIBOOS-HOTGVXAUSA-N 2 1 295.471 2.275 10 0 CEAEMP CCOCC[N@@H+](C)Cc1ccc([C@H](C)C[NH3+])cc1 ZINC000097806391 185670672 /nfs/dbraw/zinc/67/06/72/185670672.db2.gz PYBYVLJTAZXPIO-CYBMUJFWSA-N 2 1 250.386 2.217 10 0 CEAEMP c1csc(CC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000085616055 179103842 /nfs/dbraw/zinc/10/38/42/179103842.db2.gz HZSWGOTVNUTHDO-AWEZNQCLSA-N 2 1 250.411 2.365 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1CCn1cccn1 ZINC000085621016 179106207 /nfs/dbraw/zinc/10/62/07/179106207.db2.gz NQXUJFQEJKPVOM-HNNXBMFYSA-N 2 1 276.428 2.270 10 0 CEAEMP C[N@@H+](CCCN[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153738 365830805 /nfs/dbraw/zinc/83/08/05/365830805.db2.gz XRUIJWWJIJXFSQ-HNNXBMFYSA-N 2 1 267.461 2.373 10 0 CEAEMP C[N@H+](CCC[NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153738 365830809 /nfs/dbraw/zinc/83/08/09/365830809.db2.gz XRUIJWWJIJXFSQ-HNNXBMFYSA-N 3 1 267.461 2.373 10 0 CEAEMP C[N@@H+](CCC[NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153738 365830814 /nfs/dbraw/zinc/83/08/14/365830814.db2.gz XRUIJWWJIJXFSQ-HNNXBMFYSA-N 3 1 267.461 2.373 10 0 CEAEMP C[NH+]1CCC(C[N@@H+]2CCN[C@H](C3CCCCC3)C2)CC1 ZINC000086145657 179237347 /nfs/dbraw/zinc/23/73/47/179237347.db2.gz WSMZGIVKZBRYPB-KRWDZBQOSA-N 2 1 279.472 2.182 10 0 CEAEMP C[NH+]1CCC(C[N@H+]2CCN[C@H](C3CCCCC3)C2)CC1 ZINC000086145657 179237348 /nfs/dbraw/zinc/23/73/48/179237348.db2.gz WSMZGIVKZBRYPB-KRWDZBQOSA-N 2 1 279.472 2.182 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086171813 179242878 /nfs/dbraw/zinc/24/28/78/179242878.db2.gz RYZZYLFADAFVNL-OAGGEKHMSA-N 2 1 267.461 2.037 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000086174197 179245699 /nfs/dbraw/zinc/24/56/99/179245699.db2.gz HNJPMEFIZDFMGB-OAGGEKHMSA-N 2 1 267.461 2.035 10 0 CEAEMP CC(C)[C@H]1CNCC[N@H+]1CCCC[NH+](C)C(C)C ZINC000086177633 179246393 /nfs/dbraw/zinc/24/63/93/179246393.db2.gz YWFLQNGWPNNEHX-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1CNCC[NH+]1CCCC[N@H+](C)C(C)C ZINC000086177633 179246395 /nfs/dbraw/zinc/24/63/95/179246395.db2.gz YWFLQNGWPNNEHX-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1CNCC[NH+]1CCCC[N@@H+](C)C(C)C ZINC000086177633 179246397 /nfs/dbraw/zinc/24/63/97/179246397.db2.gz YWFLQNGWPNNEHX-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH2+]CCN1CCCC[N@H+](C)C(C)C ZINC000086177633 179246399 /nfs/dbraw/zinc/24/63/99/179246399.db2.gz YWFLQNGWPNNEHX-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[C@H]1C[NH2+]CCN1CCCC[N@@H+](C)C(C)C ZINC000086177633 179246401 /nfs/dbraw/zinc/24/64/01/179246401.db2.gz YWFLQNGWPNNEHX-OAHLLOKOSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223035 179250956 /nfs/dbraw/zinc/25/09/56/179250956.db2.gz OBNNTZZJWGASKE-OWCLPIDISA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](CC)C1 ZINC000086223065 179251231 /nfs/dbraw/zinc/25/12/31/179251231.db2.gz NFJAGYOXHOXUAL-IKGGRYGDSA-N 2 1 281.488 2.427 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223118 179251798 /nfs/dbraw/zinc/25/17/98/179251798.db2.gz WYGSVBKYWMXQJS-INMHGKMJSA-N 2 1 279.472 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223173 179252224 /nfs/dbraw/zinc/25/22/24/179252224.db2.gz JLGOWXVRPQLKJI-OAGGEKHMSA-N 2 1 267.461 2.037 10 0 CEAEMP CCC[C@H]1CN([C@@H]2CCC[N@@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224017 179253065 /nfs/dbraw/zinc/25/30/65/179253065.db2.gz STHHSFNGKDIMEZ-XHSDSOJGSA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259201 179257802 /nfs/dbraw/zinc/25/78/02/179257802.db2.gz YMFFJVNNIPVYDS-DJIMGWMZSA-N 2 1 279.472 2.181 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086260764 179259792 /nfs/dbraw/zinc/25/97/92/179259792.db2.gz PTRFYYLAMRKENI-ARFHVFGLSA-N 2 1 281.488 2.425 10 0 CEAEMP CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261126 179260363 /nfs/dbraw/zinc/26/03/63/179260363.db2.gz NFFLNLIJHADBFD-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1CCCC[NH+](C)C ZINC000086261126 179260365 /nfs/dbraw/zinc/26/03/65/179260365.db2.gz NFFLNLIJHADBFD-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288738 179264489 /nfs/dbraw/zinc/26/44/89/179264489.db2.gz FPJLJEDRFVPGJN-HNNXBMFYSA-N 2 1 261.413 2.334 10 0 CEAEMP CC[C@H]1CN[C@](C)(CC)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259057 179257201 /nfs/dbraw/zinc/25/72/01/179257201.db2.gz LPIZUJNNCSGGQP-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[NH2+][C@](C)(CC)CN1CC1CC[NH+](C)CC1 ZINC000086259057 179257203 /nfs/dbraw/zinc/25/72/03/179257203.db2.gz LPIZUJNNCSGGQP-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CC(C)[C@H]1C[N@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296877 179267407 /nfs/dbraw/zinc/26/74/07/179267407.db2.gz HSATZBHMPQDMFY-GFCCVEGCSA-N 2 1 253.415 2.006 10 0 CEAEMP CC(C)[C@H]1C[N@@H+](CCc2nccs2)CCC[NH2+]1 ZINC000086296877 179267409 /nfs/dbraw/zinc/26/74/09/179267409.db2.gz HSATZBHMPQDMFY-GFCCVEGCSA-N 2 1 253.415 2.006 10 0 CEAEMP Cc1ccc(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000086296258 179268261 /nfs/dbraw/zinc/26/82/61/179268261.db2.gz LUPBWKMVQQCQCU-UHFFFAOYSA-N 2 1 259.397 2.498 10 0 CEAEMP Cc1ccc(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000086296258 179268263 /nfs/dbraw/zinc/26/82/63/179268263.db2.gz LUPBWKMVQQCQCU-UHFFFAOYSA-N 2 1 259.397 2.498 10 0 CEAEMP C[C@]1(C2CC2)C[N@@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298004 179269100 /nfs/dbraw/zinc/26/91/00/179269100.db2.gz MMKDVQDNHRQOPD-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)(C)[C@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297932 179269220 /nfs/dbraw/zinc/26/92/20/179269220.db2.gz FNSZNKNPJNLPNY-CYBMUJFWSA-N 2 1 267.442 2.396 10 0 CEAEMP CC(C)(C)[C@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297932 179269222 /nfs/dbraw/zinc/26/92/22/179269222.db2.gz FNSZNKNPJNLPNY-CYBMUJFWSA-N 2 1 267.442 2.396 10 0 CEAEMP CCC[NH2+][C@@H]1CCCc2sc(N3CC[NH+](C)CC3)nc21 ZINC000086442149 179293895 /nfs/dbraw/zinc/29/38/95/179293895.db2.gz GAFJRJUANDIAIB-GFCCVEGCSA-N 2 1 294.468 2.272 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH+]2CCc3c(N)cccc3C2)CC1 ZINC000086833498 179349172 /nfs/dbraw/zinc/34/91/72/179349172.db2.gz GOURPSFEBHINRV-CQSZACIVSA-N 2 1 259.397 2.111 10 0 CEAEMP C[NH+]1CCC[C@@H]([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086833498 179349174 /nfs/dbraw/zinc/34/91/74/179349174.db2.gz GOURPSFEBHINRV-CQSZACIVSA-N 2 1 259.397 2.111 10 0 CEAEMP C[NH+]1CCC[C@@H]([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086833498 179349177 /nfs/dbraw/zinc/34/91/77/179349177.db2.gz GOURPSFEBHINRV-CQSZACIVSA-N 2 1 259.397 2.111 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847739 179356702 /nfs/dbraw/zinc/35/67/02/179356702.db2.gz DHHJCQPZRQAUNF-DLBZAZTESA-N 2 1 297.487 2.081 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835416 179349937 /nfs/dbraw/zinc/34/99/37/179349937.db2.gz NWWBTAGKULXZGZ-MRXNPFEDSA-N 2 1 261.413 2.478 10 0 CEAEMP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837768 179350833 /nfs/dbraw/zinc/35/08/33/179350833.db2.gz MPONQWBDSBPATF-HZPDHXFCSA-N 2 1 297.487 2.342 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836675 179351544 /nfs/dbraw/zinc/35/15/44/179351544.db2.gz FATGXWIQBZKBDJ-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[N@@H+](CC)CC1 ZINC000086843786 179352883 /nfs/dbraw/zinc/35/28/83/179352883.db2.gz OIIMIDFXWWIXGB-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843055 179352920 /nfs/dbraw/zinc/35/29/20/179352920.db2.gz QZBHKDYKTZZWOA-GJZGRUSLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843055 179352922 /nfs/dbraw/zinc/35/29/22/179352922.db2.gz QZBHKDYKTZZWOA-GJZGRUSLSA-N 3 1 255.450 2.179 10 0 CEAEMP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000086843055 179352925 /nfs/dbraw/zinc/35/29/25/179352925.db2.gz QZBHKDYKTZZWOA-GJZGRUSLSA-N 3 1 255.450 2.179 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843385 179353044 /nfs/dbraw/zinc/35/30/44/179353044.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843385 179353046 /nfs/dbraw/zinc/35/30/46/179353046.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H](NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843385 179353047 /nfs/dbraw/zinc/35/30/47/179353047.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843385 179353051 /nfs/dbraw/zinc/35/30/51/179353051.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843385 179353052 /nfs/dbraw/zinc/35/30/52/179353052.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086843385 179353053 /nfs/dbraw/zinc/35/30/53/179353053.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086843385 179353054 /nfs/dbraw/zinc/35/30/54/179353054.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCCCn2ccnc2)CC1 ZINC000086843675 179353135 /nfs/dbraw/zinc/35/31/35/179353135.db2.gz RPRUEDGXKOCLKR-OAHLLOKOSA-N 2 1 264.417 2.127 10 0 CEAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846743 179354318 /nfs/dbraw/zinc/35/43/18/179354318.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@@H+]1CCC[C@@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846743 179354319 /nfs/dbraw/zinc/35/43/19/179354319.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846743 179354321 /nfs/dbraw/zinc/35/43/21/179354321.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846743 179354322 /nfs/dbraw/zinc/35/43/22/179354322.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CCC[NH+]1CCC[C@@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846743 179354324 /nfs/dbraw/zinc/35/43/24/179354324.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845183 179354348 /nfs/dbraw/zinc/35/43/48/179354348.db2.gz YPNCPZMDDVRMJL-NSHDSACASA-N 2 1 268.323 2.029 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846736 179355060 /nfs/dbraw/zinc/35/50/60/179355060.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846736 179355062 /nfs/dbraw/zinc/35/50/62/179355062.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846736 179355064 /nfs/dbraw/zinc/35/50/64/179355064.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846736 179355066 /nfs/dbraw/zinc/35/50/66/179355066.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846736 179355069 /nfs/dbraw/zinc/35/50/69/179355069.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 2 1 267.461 2.453 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]Cc2scnc2C)CC1 ZINC000086844865 179355187 /nfs/dbraw/zinc/35/51/87/179355187.db2.gz LHQRLSCGJPTFJF-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]Cc2scnc2C)CC1 ZINC000086844865 179355188 /nfs/dbraw/zinc/35/51/88/179355188.db2.gz LHQRLSCGJPTFJF-LBPRGKRZSA-N 2 1 253.415 2.416 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086850920 179358049 /nfs/dbraw/zinc/35/80/49/179358049.db2.gz TWOAXHZXWVXLHX-INIZCTEOSA-N 2 1 273.424 2.471 10 0 CEAEMP CCC[N@H+]1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849638 179358578 /nfs/dbraw/zinc/35/85/78/179358578.db2.gz HJMLZXVNHVQEJE-INIZCTEOSA-N 2 1 281.444 2.029 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851154 179359017 /nfs/dbraw/zinc/35/90/17/179359017.db2.gz ZCIHTAGSNXAPNA-HZPDHXFCSA-N 2 1 267.461 2.453 10 0 CEAEMP CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851154 179359018 /nfs/dbraw/zinc/35/90/18/179359018.db2.gz ZCIHTAGSNXAPNA-HZPDHXFCSA-N 3 1 267.461 2.453 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851154 179359019 /nfs/dbraw/zinc/35/90/19/179359019.db2.gz ZCIHTAGSNXAPNA-HZPDHXFCSA-N 3 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851154 179359021 /nfs/dbraw/zinc/35/90/21/179359021.db2.gz ZCIHTAGSNXAPNA-HZPDHXFCSA-N 3 1 267.461 2.453 10 0 CEAEMP CC(C)[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851154 179359022 /nfs/dbraw/zinc/35/90/22/179359022.db2.gz ZCIHTAGSNXAPNA-HZPDHXFCSA-N 3 1 267.461 2.453 10 0 CEAEMP C[C@@H]1SCCC[C@]1(C[NH3+])[NH2+]Cc1cccs1 ZINC000086946365 179367566 /nfs/dbraw/zinc/36/75/66/179367566.db2.gz JBIBHGAISHYLAE-CMPLNLGQSA-N 2 1 256.440 2.451 10 0 CEAEMP CC[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916909 179367794 /nfs/dbraw/zinc/36/77/94/179367794.db2.gz FFWLJZRPBDTYAJ-PMPSAXMXSA-N 2 1 295.471 2.132 10 0 CEAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCC(C)(C)CC1 ZINC000086917021 179368163 /nfs/dbraw/zinc/36/81/63/179368163.db2.gz NDEMGJBLMFCSHP-OAHLLOKOSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[C@@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086952100 179368794 /nfs/dbraw/zinc/36/87/94/179368794.db2.gz PROHLWCQSMQSRC-HZPDHXFCSA-N 2 1 268.445 2.393 10 0 CEAEMP C[NH2+][C@H](CSC(C)(C)C)Cc1c[nH+]ccc1N ZINC000087117748 179395601 /nfs/dbraw/zinc/39/56/01/179395601.db2.gz CVLTZGLWFHPCJT-NSHDSACASA-N 2 1 253.415 2.326 10 0 CEAEMP CC[C@H](C)SC[C@H](Cc1cc[nH+]c(N)c1)[NH2+]C ZINC000087135663 179396629 /nfs/dbraw/zinc/39/66/29/179396629.db2.gz OEVOOQAXXSAVAI-JQWIXIFHSA-N 2 1 253.415 2.326 10 0 CEAEMP C[N@H+](CC(=O)N1CCCCCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132792 179713733 /nfs/dbraw/zinc/71/37/33/179713733.db2.gz ZIAWILTXPMZREC-CVEARBPZSA-N 2 1 295.471 2.228 10 0 CEAEMP C[N@@H+](CC(=O)N1CCCCCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132792 179713735 /nfs/dbraw/zinc/71/37/35/179713735.db2.gz ZIAWILTXPMZREC-CVEARBPZSA-N 2 1 295.471 2.228 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000090566330 180005253 /nfs/dbraw/zinc/00/52/53/180005253.db2.gz NWYMCAOGUZYXKF-NVXWUHKLSA-N 2 1 292.423 2.142 10 0 CEAEMP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC000090566288 180006019 /nfs/dbraw/zinc/00/60/19/180006019.db2.gz OLZGFQPRPWETQX-DLBZAZTESA-N 2 1 276.424 2.441 10 0 CEAEMP COC(C[C@@H](C[NH3+])[NH+]1CCC(C(C)(C)C)CC1)OC ZINC000090625290 180016001 /nfs/dbraw/zinc/01/60/01/180016001.db2.gz VUACCEHJCFGUAH-ZDUSSCGKSA-N 2 1 272.433 2.081 10 0 CEAEMP C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873624 180050270 /nfs/dbraw/zinc/05/02/70/180050270.db2.gz IDKYLMQMDFMWFS-BMFZPTHFSA-N 2 1 274.408 2.310 10 0 CEAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090875378 180050830 /nfs/dbraw/zinc/05/08/30/180050830.db2.gz OZVJAFFEFAXIIH-HOCLYGCPSA-N 2 1 274.408 2.312 10 0 CEAEMP CC1CC[NH+](CCC[NH2+]Cc2ccccc2N)CC1 ZINC000090961292 180076260 /nfs/dbraw/zinc/07/62/60/180076260.db2.gz OVYIHWSELBXCNZ-UHFFFAOYSA-N 2 1 261.413 2.480 10 0 CEAEMP CCC[C@](C)(C[NH2+]CC)C[N@@H+](C)CC1CC(O)C1 ZINC000091490136 180168818 /nfs/dbraw/zinc/16/88/18/180168818.db2.gz BIKBLOVXWLVHRE-YMAMQOFZSA-N 2 1 256.434 2.105 10 0 CEAEMP CCC[NH2+][C@H](Cc1cc(C)nn1C)[C@@](C)(CC)[NH+](C)C ZINC000091572049 180196161 /nfs/dbraw/zinc/19/61/61/180196161.db2.gz FTWQNKQJQSYQHM-HZPDHXFCSA-N 2 1 280.460 2.370 10 0 CEAEMP CCC[NH2+][C@@H](Cc1ncnn1CCC)[C@@](C)(CC)[NH+](C)C ZINC000091572200 180196352 /nfs/dbraw/zinc/19/63/52/180196352.db2.gz QGLHIAVRJJSVIB-GOEBONIOSA-N 2 1 295.475 2.329 10 0 CEAEMP CC[C@@](C)([C@H](Cc1cc(C)nn1C)[NH2+]C)[NH+]1CCCC1 ZINC000091606603 180203736 /nfs/dbraw/zinc/20/37/36/180203736.db2.gz NSJXCMANVPILAE-HOTGVXAUSA-N 2 1 278.444 2.124 10 0 CEAEMP CC[C@@](C)([C@H](O)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608881 180205414 /nfs/dbraw/zinc/20/54/14/180205414.db2.gz OGLHWLAHVDOTGS-CABCVRRESA-N 2 1 263.385 2.352 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cc(C)nn1CC)C(C)(C)[NH+](C)C ZINC000091529490 180180876 /nfs/dbraw/zinc/18/08/76/180180876.db2.gz IJLZJMCDOPXCKW-HNNXBMFYSA-N 2 1 280.460 2.462 10 0 CEAEMP CCc1cc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)n(CC)n1 ZINC000091533974 180181708 /nfs/dbraw/zinc/18/17/08/180181708.db2.gz FHBZHPQWZBAGNL-HNNXBMFYSA-N 2 1 278.444 2.210 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(CC)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535322 180182317 /nfs/dbraw/zinc/18/23/17/180182317.db2.gz OEBNSFGRVAROAU-HNNXBMFYSA-N 2 1 278.444 2.298 10 0 CEAEMP [NH3+][C@@H](Cc1ccncc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640768 180213289 /nfs/dbraw/zinc/21/32/89/180213289.db2.gz MYPLUOZCHYQJNC-HNNXBMFYSA-N 2 1 259.397 2.360 10 0 CEAEMP [NH3+][C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720476 180236727 /nfs/dbraw/zinc/23/67/27/180236727.db2.gz AFRCRRSJVFDYBA-RBSFLKMASA-N 2 1 280.799 2.073 10 0 CEAEMP CCC[N@@H+](CC(=O)OC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852286 180272669 /nfs/dbraw/zinc/27/26/69/180272669.db2.gz MSDPYAFLKYSTNS-UHFFFAOYSA-N 2 1 270.417 2.310 10 0 CEAEMP CCOC(=O)c1nc(C[N@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000091847605 180271502 /nfs/dbraw/zinc/27/15/02/180271502.db2.gz QHRBXTQQMOJHKR-UHFFFAOYSA-N 2 1 297.424 2.022 10 0 CEAEMP CCOC(=O)c1nc(C[N@@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000091847605 180271505 /nfs/dbraw/zinc/27/15/05/180271505.db2.gz QHRBXTQQMOJHKR-UHFFFAOYSA-N 2 1 297.424 2.022 10 0 CEAEMP CC[N@@H+](CCC[NH+]1CCCC1)C1CCC([NH3+])CC1 ZINC000091851027 180271876 /nfs/dbraw/zinc/27/18/76/180271876.db2.gz PQULEFSXYROING-UHFFFAOYSA-N 3 1 253.434 2.064 10 0 CEAEMP CC[N@H+](CCCN1CCCC1)C1CCC([NH3+])CC1 ZINC000091851027 180271879 /nfs/dbraw/zinc/27/18/79/180271879.db2.gz PQULEFSXYROING-UHFFFAOYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+](CCCN1CCCC1)C1CCC([NH3+])CC1 ZINC000091851027 180271880 /nfs/dbraw/zinc/27/18/80/180271880.db2.gz PQULEFSXYROING-UHFFFAOYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+](C[C@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850739 180271928 /nfs/dbraw/zinc/27/19/28/180271928.db2.gz QKTSMQWDVSKLCT-JCYILVPMSA-N 2 1 276.424 2.486 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000091871062 180276819 /nfs/dbraw/zinc/27/68/19/180276819.db2.gz SKIJMXMNVBZHHR-UHFFFAOYSA-N 2 1 278.396 2.363 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)NCC(C)C)CC1 ZINC000091870203 180277119 /nfs/dbraw/zinc/27/71/19/180277119.db2.gz XRFZZUABRUMYIK-FHERZECASA-N 2 1 297.487 2.390 10 0 CEAEMP CC[NH2+]C1CCC(N(C)c2[nH+]ccn2CC)CC1 ZINC000091870818 180277258 /nfs/dbraw/zinc/27/72/58/180277258.db2.gz RNZICFOIIRBZMP-UHFFFAOYSA-N 2 1 250.390 2.260 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000091872945 180277846 /nfs/dbraw/zinc/27/78/46/180277846.db2.gz SFTMUDBJYUQQBK-UHFFFAOYSA-N 2 1 251.374 2.254 10 0 CEAEMP CCC1CCC(C[NH3+])([C@]2(O)CCC[N@@H+](C)CC2)CC1 ZINC000091922482 180286506 /nfs/dbraw/zinc/28/65/06/180286506.db2.gz ZVPHUVPDIDWYOC-GPANFISMSA-N 2 1 268.445 2.379 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2cc(C)ccc2[C@H](C)[NH3+])C1 ZINC000092051365 180313369 /nfs/dbraw/zinc/31/33/69/180313369.db2.gz ZECCQYXKKPVWRR-KBPBESRZSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2cc(C)ccc2[C@H](C)[NH3+])C1 ZINC000092051365 180313370 /nfs/dbraw/zinc/31/33/70/180313370.db2.gz ZECCQYXKKPVWRR-KBPBESRZSA-N 2 1 278.396 2.114 10 0 CEAEMP CC[NH2+]C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092298005 180358368 /nfs/dbraw/zinc/35/83/68/180358368.db2.gz XVBOXFDZKFQRFF-CYBMUJFWSA-N 2 1 260.381 2.237 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092299692 180358810 /nfs/dbraw/zinc/35/88/10/180358810.db2.gz UNLOTBSAJNLPDU-UONOGXRCSA-N 2 1 260.381 2.094 10 0 CEAEMP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000092328419 180363345 /nfs/dbraw/zinc/36/33/45/180363345.db2.gz LCEBSIPDPWGTGY-ZWNOBZJWSA-N 2 1 251.374 2.426 10 0 CEAEMP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000092328419 180363346 /nfs/dbraw/zinc/36/33/46/180363346.db2.gz LCEBSIPDPWGTGY-ZWNOBZJWSA-N 2 1 251.374 2.426 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262051220 282980201 /nfs/dbraw/zinc/98/02/01/282980201.db2.gz ZPFYIJJYUWTAAT-BZUAXINKSA-N 2 1 278.371 2.072 10 0 CEAEMP CSc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000092624591 180418369 /nfs/dbraw/zinc/41/83/69/180418369.db2.gz SIHHSXPVKDDYHU-HOCLYGCPSA-N 2 1 293.480 2.434 10 0 CEAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCCOC1 ZINC000109545973 186261990 /nfs/dbraw/zinc/26/19/90/186261990.db2.gz KDOUZOOXHBHCBJ-IUOOZAAYSA-N 2 1 266.429 2.264 10 0 CEAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCCOC1 ZINC000109545973 186261992 /nfs/dbraw/zinc/26/19/92/186261992.db2.gz KDOUZOOXHBHCBJ-IUOOZAAYSA-N 2 1 266.429 2.264 10 0 CEAEMP C(C[C@@H]1CCCC[NH2+]1)C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000110371078 186294724 /nfs/dbraw/zinc/29/47/24/186294724.db2.gz VKQZPUHNNGUOEN-DLBZAZTESA-N 2 1 279.472 2.469 10 0 CEAEMP C(C[C@@H]1CCCC[NH2+]1)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110371078 186294726 /nfs/dbraw/zinc/29/47/26/186294726.db2.gz VKQZPUHNNGUOEN-DLBZAZTESA-N 2 1 279.472 2.469 10 0 CEAEMP CC(C)[N@@H+](C)CCCCNC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618074 186305682 /nfs/dbraw/zinc/30/56/82/186305682.db2.gz RRUPOPQNROSDFO-UHFFFAOYSA-N 2 1 297.487 2.378 10 0 CEAEMP COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1CC[N@H+](C2CC2)C1 ZINC000110629960 186308172 /nfs/dbraw/zinc/30/81/72/186308172.db2.gz DBWRUSYPXYVAFU-JTQLQIEISA-N 2 1 290.342 2.175 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)s2)CC[N@H+]1C ZINC000110703960 186313593 /nfs/dbraw/zinc/31/35/93/186313593.db2.gz VLSCPXDKIHWWQH-OLZOCXBDSA-N 2 1 267.442 2.082 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2ccc3ccccc3c2)CC[N@H+]1C ZINC000110708554 186313639 /nfs/dbraw/zinc/31/36/39/186313639.db2.gz XBKQJDPJESPAIL-KDOFPFPSSA-N 2 1 283.419 2.476 10 0 CEAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704910 186313899 /nfs/dbraw/zinc/31/38/99/186313899.db2.gz WPZXZWVNKPMRGH-ZBFHGGJFSA-N 2 1 275.440 2.409 10 0 CEAEMP Cc1cccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1C ZINC000110711795 186315303 /nfs/dbraw/zinc/31/53/03/186315303.db2.gz IXQVXKGRMCJFCA-MRXNPFEDSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[C@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000110715474 186315817 /nfs/dbraw/zinc/31/58/17/186315817.db2.gz SDTRWNKZAFAXIY-SOUVJXGZSA-N 2 1 253.434 2.063 10 0 CEAEMP Cc1ccc([C@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716471 186316381 /nfs/dbraw/zinc/31/63/81/186316381.db2.gz HNAMYZZSSGMDLC-OAHLLOKOSA-N 2 1 261.413 2.021 10 0 CEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CC[N@H+]1C ZINC000110710010 186316467 /nfs/dbraw/zinc/31/64/67/186316467.db2.gz KIUKDQOPDLWYQN-IRXDYDNUSA-N 2 1 275.440 2.329 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc(N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110758810 186320945 /nfs/dbraw/zinc/32/09/45/186320945.db2.gz DMEDAUCWFLHDMY-LLVKDONJSA-N 2 1 282.457 2.344 10 0 CEAEMP CC[N@H+]1CCN(Cc2ccccc2C[NH2+]C2CC2)C[C@@H]1C ZINC000110753491 186321512 /nfs/dbraw/zinc/32/15/12/186321512.db2.gz JFACFCIEIXPSLY-HNNXBMFYSA-N 2 1 287.451 2.465 10 0 CEAEMP CCN1CC[N@H+](Cc2ccccc2C[NH2+]C2CC2)C[C@@H]1C ZINC000110753491 186321514 /nfs/dbraw/zinc/32/15/14/186321514.db2.gz JFACFCIEIXPSLY-HNNXBMFYSA-N 2 1 287.451 2.465 10 0 CEAEMP CCN1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC2)C[C@@H]1C ZINC000110753491 186321516 /nfs/dbraw/zinc/32/15/16/186321516.db2.gz JFACFCIEIXPSLY-HNNXBMFYSA-N 2 1 287.451 2.465 10 0 CEAEMP CC[N@H+]1CCN(c2nc(C)c(C[NH2+]C(C)C)s2)C[C@@H]1C ZINC000110760146 186323641 /nfs/dbraw/zinc/32/36/41/186323641.db2.gz GWZWGGBUNABPEE-LBPRGKRZSA-N 2 1 296.484 2.480 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000111123083 186355001 /nfs/dbraw/zinc/35/50/01/186355001.db2.gz IVOWTGQAMYGSIQ-KKUMJFAQSA-N 2 1 256.434 2.498 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)[C@H](CC(N)=S)c1ccccc1 ZINC000111137530 186357563 /nfs/dbraw/zinc/35/75/63/186357563.db2.gz MUJKFSCVMXRLJF-CQSZACIVSA-N 2 1 279.453 2.287 10 0 CEAEMP C[C@H](CCC[NH2+]C1CC1)[N@@H+](C)CC1CCOCC1 ZINC000111175553 186364642 /nfs/dbraw/zinc/36/46/42/186364642.db2.gz ATWZABBBHUFJLR-CYBMUJFWSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H](C[NH2+]C1CCCC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111176386 186365670 /nfs/dbraw/zinc/36/56/70/186365670.db2.gz WQDNFGAAMDFUAC-KBPBESRZSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H](C[NH2+]C1CCCC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111176386 186365671 /nfs/dbraw/zinc/36/56/71/186365671.db2.gz WQDNFGAAMDFUAC-KBPBESRZSA-N 2 1 254.418 2.266 10 0 CEAEMP C[N@H+](CC1CCOCC1)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000111172841 186365989 /nfs/dbraw/zinc/36/59/89/186365989.db2.gz IESZCFOJZVGCPN-QGZVFWFLSA-N 2 1 276.424 2.261 10 0 CEAEMP C[N@@H+](CC1CCOCC1)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000111172841 186365990 /nfs/dbraw/zinc/36/59/90/186365990.db2.gz IESZCFOJZVGCPN-QGZVFWFLSA-N 2 1 276.424 2.261 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323699 186397843 /nfs/dbraw/zinc/39/78/43/186397843.db2.gz DSIXKCXSQODEOK-LSDHHAIUSA-N 2 1 254.418 2.267 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccsc2)CCCOC1 ZINC000111325235 186398339 /nfs/dbraw/zinc/39/83/39/186398339.db2.gz NYDHCQVHXDFCSQ-CQSZACIVSA-N 2 1 268.426 2.196 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccsc2)CCCOC1 ZINC000111325235 186398340 /nfs/dbraw/zinc/39/83/40/186398340.db2.gz NYDHCQVHXDFCSQ-CQSZACIVSA-N 2 1 268.426 2.196 10 0 CEAEMP CC[N@@H+](C[C@]1(C[NH2+]C(C)C)CCCOC1)[C@@H](C)COC ZINC000111326375 186398636 /nfs/dbraw/zinc/39/86/36/186398636.db2.gz HZCHVKTWFVHTBL-JKSUJKDBSA-N 2 1 286.460 2.138 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326872 186398708 /nfs/dbraw/zinc/39/87/08/186398708.db2.gz SUSQIBFDBYMLGB-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CO[C@@H]1C[N@H+](Cc2cc(C)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630358532 351710968 /nfs/dbraw/zinc/71/09/68/351710968.db2.gz BMYGDTDQNBNWER-HOTGVXAUSA-N 2 1 262.397 2.242 10 0 CEAEMP CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630358532 351710970 /nfs/dbraw/zinc/71/09/70/351710970.db2.gz BMYGDTDQNBNWER-HOTGVXAUSA-N 2 1 262.397 2.242 10 0 CEAEMP CCN1CCC[C@H]1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000092633501 539827846 /nfs/dbraw/zinc/82/78/46/539827846.db2.gz FOMQVYUYRGLEBL-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@H]1CN(C)CCCC1CC[NH2+]CC1 ZINC000092633501 539827853 /nfs/dbraw/zinc/82/78/53/539827853.db2.gz FOMQVYUYRGLEBL-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)CCCC1CC[NH2+]CC1 ZINC000092633501 539827858 /nfs/dbraw/zinc/82/78/58/539827858.db2.gz FOMQVYUYRGLEBL-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP C[C@@H]([NH3+])[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000156562865 540008802 /nfs/dbraw/zinc/00/88/02/540008802.db2.gz DBJJWRDKWQYAKZ-BMIGLBTASA-N 2 1 291.782 2.441 10 0 CEAEMP C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCC[NH2+]CC1 ZINC000336191957 213011475 /nfs/dbraw/zinc/01/14/75/213011475.db2.gz GIIICJXVTFCDCT-AWEZNQCLSA-N 2 1 258.369 2.137 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151313455 366638699 /nfs/dbraw/zinc/63/86/99/366638699.db2.gz VHCVHXAGSKMRCS-HOTGVXAUSA-N 2 1 276.424 2.492 10 0 CEAEMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151340552 366639360 /nfs/dbraw/zinc/63/93/60/366639360.db2.gz MSCPQLCXQXRJNJ-RDJZCZTQSA-N 2 1 276.424 2.492 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000178751897 189143219 /nfs/dbraw/zinc/14/32/19/189143219.db2.gz DGKQEQCEWKPNPB-QZTJIDSGSA-N 2 1 299.418 2.260 10 0 CEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000178751897 189143220 /nfs/dbraw/zinc/14/32/20/189143220.db2.gz DGKQEQCEWKPNPB-QZTJIDSGSA-N 2 1 299.418 2.260 10 0 CEAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]cc3Cl)C[C@@H]21 ZINC000230135105 283579964 /nfs/dbraw/zinc/57/99/64/283579964.db2.gz BUUOTDGUJROTHQ-JFGNBEQYSA-N 2 1 251.761 2.299 10 0 CEAEMP C[C@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000631838442 367579295 /nfs/dbraw/zinc/57/92/95/367579295.db2.gz OGVOTMLYELTKAJ-DZGCQCFKSA-N 2 1 254.418 2.110 10 0 CEAEMP CCOC(=O)[C@H](CC)N1CC[C@H](CNc2ccccn2)C1 ZINC000173779032 367943806 /nfs/dbraw/zinc/94/38/06/367943806.db2.gz AAGSHQIDJUBZII-KGLIPLIRSA-N 2 1 291.395 2.157 10 0 CEAEMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1OC ZINC000634999492 369033114 /nfs/dbraw/zinc/03/31/14/369033114.db2.gz VJFFUKOTZMTBOO-PWSUYJOCSA-N 2 1 298.814 2.384 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1OC ZINC000634999492 369033119 /nfs/dbraw/zinc/03/31/19/369033119.db2.gz VJFFUKOTZMTBOO-PWSUYJOCSA-N 2 1 298.814 2.384 10 0 CEAEMP c1ccc(C[N@H+]2CCCCC[C@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000635023067 369059033 /nfs/dbraw/zinc/05/90/33/369059033.db2.gz RLMADAWTROWQGQ-MSOLQXFVSA-N 2 1 287.451 2.383 10 0 CEAEMP CC(C)n1ncc2cc(CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cnc21 ZINC000193616863 369962771 /nfs/dbraw/zinc/96/27/71/369962771.db2.gz SJCXGNHNVSVYQJ-IYBDPMFKSA-N 2 1 299.422 2.006 10 0 CEAEMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CCC[NH2+]C2)c1C ZINC000220426754 370233396 /nfs/dbraw/zinc/23/33/96/370233396.db2.gz GCEQPFUIORWGBP-AWEZNQCLSA-N 2 1 277.412 2.138 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@H]12 ZINC000261586088 371664375 /nfs/dbraw/zinc/66/43/75/371664375.db2.gz ITGDTTJRZSSGRW-SGMGOOAPSA-N 2 1 280.799 2.388 10 0 CEAEMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261611839 371676818 /nfs/dbraw/zinc/67/68/18/371676818.db2.gz DZFJEIFTQUXWJJ-RRFJBIMHSA-N 2 1 290.407 2.133 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(F)c3)C[C@@H]12 ZINC000261556389 371645921 /nfs/dbraw/zinc/64/59/21/371645921.db2.gz BZTHVLUXVRWRGO-ZLKJLUDKSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@@H]12 ZINC000261556389 371645924 /nfs/dbraw/zinc/64/59/24/371645924.db2.gz BZTHVLUXVRWRGO-ZLKJLUDKSA-N 2 1 252.308 2.134 10 0 CEAEMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792261 371734409 /nfs/dbraw/zinc/73/44/09/371734409.db2.gz GHECCHOIYBJQQP-IWCQGFGOSA-N 2 1 280.456 2.248 10 0 CEAEMP CCC[C@@]1(COC)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261801890 371735515 /nfs/dbraw/zinc/73/55/15/371735515.db2.gz GYHIHOJCWNPMMY-GJZGRUSLSA-N 2 1 254.418 2.267 10 0 CEAEMP c1ccc(C[N@H+]2C[C@H]3CN(C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944844 371780009 /nfs/dbraw/zinc/78/00/09/371780009.db2.gz NDXRIDRRZUQXEH-QRVBRYPASA-N 2 1 299.462 2.050 10 0 CEAEMP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@H](C)c1cnccn1 ZINC000094012329 184750240 /nfs/dbraw/zinc/75/02/40/184750240.db2.gz MKSKTJFQGVBMMA-CYBMUJFWSA-N 2 1 262.401 2.248 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CCC)CC1CC[NH2+]CC1 ZINC000094025511 184751162 /nfs/dbraw/zinc/75/11/62/184751162.db2.gz ZEIUPJDUFKMFPH-LSDHHAIUSA-N 2 1 297.487 2.391 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249414490 394555003 /nfs/dbraw/zinc/55/50/03/394555003.db2.gz VUQHUMOJCYTUIX-HOTGVXAUSA-N 2 1 265.445 2.031 10 0 CEAEMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)CC(F)(F)F ZINC000423011273 394881465 /nfs/dbraw/zinc/88/14/65/394881465.db2.gz ILWGXUDZHGUUDL-WOPDTQHZSA-N 2 1 282.350 2.200 10 0 CEAEMP c1csc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979791 165268276 /nfs/dbraw/zinc/26/82/76/165268276.db2.gz JNHINVGZIWIMDZ-ZDUSSCGKSA-N 2 1 265.426 2.322 10 0 CEAEMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000183176142 165386699 /nfs/dbraw/zinc/38/66/99/165386699.db2.gz IGQUKFMSTQJJGF-HNNXBMFYSA-N 2 1 287.411 2.461 10 0 CEAEMP CSc1ccc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)cc1 ZINC000020523756 171237087 /nfs/dbraw/zinc/23/70/87/171237087.db2.gz JKTKWTSAJLOUFR-HNNXBMFYSA-N 2 1 279.453 2.046 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH3+] ZINC000022153138 171360205 /nfs/dbraw/zinc/36/02/05/171360205.db2.gz NTTPRJIGCKIAOX-CYBMUJFWSA-N 2 1 275.396 2.348 10 0 CEAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[NH+](CCOC)CCOC ZINC000037489448 173231367 /nfs/dbraw/zinc/23/13/67/173231367.db2.gz SFHITWSUUHLESJ-CABCVRRESA-N 2 1 274.449 2.125 10 0 CEAEMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000040622521 174355788 /nfs/dbraw/zinc/35/57/88/174355788.db2.gz GUKQPVVDNLWYSL-UKRRQHHQSA-N 2 1 276.428 2.117 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000040622521 174355789 /nfs/dbraw/zinc/35/57/89/174355789.db2.gz GUKQPVVDNLWYSL-UKRRQHHQSA-N 2 1 276.428 2.117 10 0 CEAEMP Cc1ccccc1OCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750137 174395142 /nfs/dbraw/zinc/39/51/42/174395142.db2.gz JQUSNEAZEJTINO-GOOCMWNKSA-N 2 1 260.381 2.328 10 0 CEAEMP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818461 175112794 /nfs/dbraw/zinc/11/27/94/175112794.db2.gz AVGZFMWQRXJICZ-ZWKOTPCHSA-N 2 1 287.451 2.290 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887770 175117901 /nfs/dbraw/zinc/11/79/01/175117901.db2.gz XSWPFCQTSMKOLD-ZNMIVQPWSA-N 2 1 284.444 2.381 10 0 CEAEMP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)CC)OCCO2 ZINC000043887770 175117902 /nfs/dbraw/zinc/11/79/02/175117902.db2.gz XSWPFCQTSMKOLD-ZNMIVQPWSA-N 2 1 284.444 2.381 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970731 175132188 /nfs/dbraw/zinc/13/21/88/175132188.db2.gz UEWOEOYVUKZEAR-CVEARBPZSA-N 3 1 267.461 2.181 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272166 175343130 /nfs/dbraw/zinc/34/31/30/175343130.db2.gz PLQIIMZVMKODMZ-UXLLHSPISA-N 2 1 295.471 2.131 10 0 CEAEMP CC(C)[NH2+][C@@](C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272166 175343131 /nfs/dbraw/zinc/34/31/31/175343131.db2.gz PLQIIMZVMKODMZ-UXLLHSPISA-N 2 1 295.471 2.131 10 0 CEAEMP CCC(CC)C[N@H+](CC)CC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045277859 175348043 /nfs/dbraw/zinc/34/80/43/175348043.db2.gz ALEIUTNRVHNKDS-INIZCTEOSA-N 2 1 285.476 2.377 10 0 CEAEMP CCC(CC)C[N@@H+](CC)CC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045277859 175348044 /nfs/dbraw/zinc/34/80/44/175348044.db2.gz ALEIUTNRVHNKDS-INIZCTEOSA-N 2 1 285.476 2.377 10 0 CEAEMP CCCC[N@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045368380 175363676 /nfs/dbraw/zinc/36/36/76/175363676.db2.gz ULNSQZUECALPEF-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)OC ZINC000045368380 175363677 /nfs/dbraw/zinc/36/36/77/175363677.db2.gz ULNSQZUECALPEF-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CCOC(=O)[C@@](C)(CCC[NH+](CC)CC)[NH2+]C(C)C ZINC000045375945 175366282 /nfs/dbraw/zinc/36/62/82/175366282.db2.gz YMHKVLYRVBMOLS-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378081 175367726 /nfs/dbraw/zinc/36/77/26/175367726.db2.gz MZUNZNXWGRPIMJ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045378081 175367727 /nfs/dbraw/zinc/36/77/27/175367727.db2.gz MZUNZNXWGRPIMJ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379616 175368035 /nfs/dbraw/zinc/36/80/35/175368035.db2.gz IBLIUIHYCZUBQN-IJEWVQPXSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045382181 175370527 /nfs/dbraw/zinc/37/05/27/175370527.db2.gz CAVWZEPLIKOUQN-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[N@@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000045382181 175370529 /nfs/dbraw/zinc/37/05/29/175370529.db2.gz CAVWZEPLIKOUQN-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC)C(=O)OCC ZINC000045382888 175371226 /nfs/dbraw/zinc/37/12/26/175371226.db2.gz YHSJOUQHNHXWMG-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CC)C(=O)OCC ZINC000045382888 175371227 /nfs/dbraw/zinc/37/12/27/175371227.db2.gz YHSJOUQHNHXWMG-AWEZNQCLSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385996 175371787 /nfs/dbraw/zinc/37/17/87/175371787.db2.gz UTRPXNNWVRGDMV-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CCC[C@@](C)([NH2+]C)C(=O)OCC)C(C)C ZINC000045385996 175371788 /nfs/dbraw/zinc/37/17/88/175371788.db2.gz UTRPXNNWVRGDMV-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)C1CCCC1 ZINC000045384649 175371809 /nfs/dbraw/zinc/37/18/09/175371809.db2.gz UQBFWKCVRCMNGH-OAHLLOKOSA-N 2 1 270.417 2.312 10 0 CEAEMP CCC[N@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045387078 175372974 /nfs/dbraw/zinc/37/29/74/175372974.db2.gz FVSLQRZYGRNTGY-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045387078 175372975 /nfs/dbraw/zinc/37/29/75/175372975.db2.gz FVSLQRZYGRNTGY-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP C[N@@H+](CCCC[C@@](C)([NH3+])C(N)=O)C1CCCCCC1 ZINC000045419133 175377441 /nfs/dbraw/zinc/37/74/41/175377441.db2.gz XDEPHZBSUZERJH-OAHLLOKOSA-N 2 1 269.433 2.014 10 0 CEAEMP Cc1ccc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1C ZINC000071148886 176044679 /nfs/dbraw/zinc/04/46/79/176044679.db2.gz USVPNEVOIKFTFP-MRXNPFEDSA-N 2 1 275.440 2.201 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000071161813 176046518 /nfs/dbraw/zinc/04/65/18/176046518.db2.gz BUXHJWXUGOMJOS-DZGCQCFKSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000071161813 176046519 /nfs/dbraw/zinc/04/65/19/176046519.db2.gz BUXHJWXUGOMJOS-DZGCQCFKSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187857 176061290 /nfs/dbraw/zinc/06/12/90/176061290.db2.gz LAOXRNIQUHAMMB-KBRIMQKVSA-N 2 1 293.430 2.488 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000071188027 176061442 /nfs/dbraw/zinc/06/14/42/176061442.db2.gz JOFHEYFVFOKTLY-DOMZBBRYSA-N 2 1 281.831 2.223 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188052 176061601 /nfs/dbraw/zinc/06/16/01/176061601.db2.gz VVUILDJMKJJWFB-OUCADQQQSA-N 2 1 267.442 2.020 10 0 CEAEMP CCC[C@H]([NH2+]CC)[C@@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188816 176063296 /nfs/dbraw/zinc/06/32/96/176063296.db2.gz HQWHZMUAKXXURI-OWCLPIDISA-N 2 1 269.477 2.427 10 0 CEAEMP Cc1cc(C)c([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188777 176063801 /nfs/dbraw/zinc/06/38/01/176063801.db2.gz QOCNCRCPMFSOKJ-SJORKVTESA-N 2 1 289.467 2.495 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000071190602 176066393 /nfs/dbraw/zinc/06/63/93/176066393.db2.gz PBAUUVNWGDOLFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000071190602 176066395 /nfs/dbraw/zinc/06/63/95/176066395.db2.gz PBAUUVNWGDOLFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071190602 176066396 /nfs/dbraw/zinc/06/63/96/176066396.db2.gz PBAUUVNWGDOLFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071190602 176066398 /nfs/dbraw/zinc/06/63/98/176066398.db2.gz PBAUUVNWGDOLFW-WBVHZDCISA-N 2 1 276.424 2.220 10 0 CEAEMP Cc1ccc([C@H](O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190633 176068753 /nfs/dbraw/zinc/06/87/53/176068753.db2.gz JCXQXWZLTWSLCL-BFYDXBDKSA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190633 176068754 /nfs/dbraw/zinc/06/87/54/176068754.db2.gz JCXQXWZLTWSLCL-BFYDXBDKSA-N 2 1 276.424 2.300 10 0 CEAEMP Cc1ccc([C@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190633 176068755 /nfs/dbraw/zinc/06/87/55/176068755.db2.gz JCXQXWZLTWSLCL-BFYDXBDKSA-N 2 1 276.424 2.300 10 0 CEAEMP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191355 176070751 /nfs/dbraw/zinc/07/07/51/176070751.db2.gz PBDHWKAKUKZPRA-NVXWUHKLSA-N 2 1 275.440 2.221 10 0 CEAEMP C[C@@H]1CCC[C@H]([NH2+]CCN(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071192374 176073712 /nfs/dbraw/zinc/07/37/12/176073712.db2.gz CZHOQXJZHIEZOF-OAGGEKHMSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)[NH+]1CCN(CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401720 176153966 /nfs/dbraw/zinc/15/39/66/176153966.db2.gz SPBPQOHEWJMHPV-QGZVFWFLSA-N 2 1 275.440 2.493 10 0 CEAEMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000390529753 262207062 /nfs/dbraw/zinc/20/70/62/262207062.db2.gz LGTCYUSRVDKRHX-QZTJIDSGSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000390529753 262207063 /nfs/dbraw/zinc/20/70/63/262207063.db2.gz LGTCYUSRVDKRHX-QZTJIDSGSA-N 2 1 287.451 2.383 10 0 CEAEMP CO[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000261558902 277292636 /nfs/dbraw/zinc/29/26/36/277292636.db2.gz ATLKZNMZWKGNII-FRRDWIJNSA-N 2 1 276.371 2.250 10 0 CEAEMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000261558902 277292637 /nfs/dbraw/zinc/29/26/37/277292637.db2.gz ATLKZNMZWKGNII-FRRDWIJNSA-N 2 1 276.371 2.250 10 0 CEAEMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261889576 278076486 /nfs/dbraw/zinc/07/64/86/278076486.db2.gz XIBDECDQWRTPGX-VWYCJHECSA-N 2 1 250.308 2.259 10 0 CEAEMP C[C@H]([NH3+])CC[NH2+]Cc1ccccc1Br ZINC000258696427 280526445 /nfs/dbraw/zinc/52/64/45/280526445.db2.gz GIQHSWMNAFDZCH-VIFPVBQESA-N 2 1 257.175 2.276 10 0 CEAEMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258960149 280528356 /nfs/dbraw/zinc/52/83/56/280528356.db2.gz SGEZEPBNTQFCNB-JTQLQIEISA-N 2 1 299.212 2.157 10 0 CEAEMP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000398355815 280693310 /nfs/dbraw/zinc/69/33/10/280693310.db2.gz LNESCDVXNNJCOR-LLVKDONJSA-N 2 1 283.213 2.457 10 0 CEAEMP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCOCC4)C3)c2c1 ZINC000185736457 281170395 /nfs/dbraw/zinc/17/03/95/281170395.db2.gz ALUYSYMZOJEAPL-OAHLLOKOSA-N 2 1 297.402 2.454 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382736 519727632 /nfs/dbraw/zinc/72/76/32/519727632.db2.gz IZGIBLDTKWTENK-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382736 519727634 /nfs/dbraw/zinc/72/76/34/519727634.db2.gz IZGIBLDTKWTENK-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]CC1(C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC000052197536 519911485 /nfs/dbraw/zinc/91/14/85/519911485.db2.gz ZNJFAGVAUXRIBC-UHFFFAOYSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC[NH2+]CCCC[NH+]1CCN(CC(C)C)CC1 ZINC000055075969 519912590 /nfs/dbraw/zinc/91/25/90/519912590.db2.gz ZZNHBPHSAIVCBJ-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CCOC)CC(C)C)O1 ZINC000052508699 519927737 /nfs/dbraw/zinc/92/77/37/519927737.db2.gz PHVNCXZIHNUGCZ-JKSUJKDBSA-N 2 1 286.460 2.138 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000052420673 519992006 /nfs/dbraw/zinc/99/20/06/519992006.db2.gz OBYVVNIZZCULTQ-TXEJJXNPSA-N 2 1 251.374 2.262 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+](CC)[C@H](C)COC ZINC000052504761 520009757 /nfs/dbraw/zinc/00/97/57/520009757.db2.gz GJNXEPXMENTPGP-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653564 520021250 /nfs/dbraw/zinc/02/12/50/520021250.db2.gz JWRDHVQLORAVBJ-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653564 520021257 /nfs/dbraw/zinc/02/12/57/520021257.db2.gz JWRDHVQLORAVBJ-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+]Cc1nc(C[N@H+](CCOC)CC(C)C)cs1 ZINC000052508328 520019783 /nfs/dbraw/zinc/01/97/83/520019783.db2.gz UQRNLHWJJXDJED-UHFFFAOYSA-N 2 1 285.457 2.357 10 0 CEAEMP CC[NH2+]Cc1nc(C[N@@H+](CCOC)CC(C)C)cs1 ZINC000052508328 520019790 /nfs/dbraw/zinc/01/97/90/520019790.db2.gz UQRNLHWJJXDJED-UHFFFAOYSA-N 2 1 285.457 2.357 10 0 CEAEMP CC[NH2+]Cc1sc(N(C)[C@H]2CCC[N@@H+](C)C2)nc1C ZINC000054998284 520032894 /nfs/dbraw/zinc/03/28/94/520032894.db2.gz OVAUUZICYITNKZ-LBPRGKRZSA-N 2 1 282.457 2.091 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647798 520040175 /nfs/dbraw/zinc/04/01/75/520040175.db2.gz IJHPVTPRJFDTSO-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647798 520040177 /nfs/dbraw/zinc/04/01/77/520040177.db2.gz IJHPVTPRJFDTSO-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647889 520113518 /nfs/dbraw/zinc/11/35/18/520113518.db2.gz DOKDWWPILGQBQB-OFQRWUPVSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647889 520113528 /nfs/dbraw/zinc/11/35/28/520113528.db2.gz DOKDWWPILGQBQB-OFQRWUPVSA-N 2 1 283.460 2.273 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000054554793 520122166 /nfs/dbraw/zinc/12/21/66/520122166.db2.gz NUUAFNNKODKQGB-BBWFWOEESA-N 2 1 281.488 2.427 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CCCCCC2)O1 ZINC000052482113 522058413 /nfs/dbraw/zinc/05/84/13/522058413.db2.gz SAHHBMMCNGEABS-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052511958 522219440 /nfs/dbraw/zinc/21/94/40/522219440.db2.gz OZNVZRSFSSBJLA-CYBMUJFWSA-N 2 1 262.397 2.405 10 0 CEAEMP Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)nc(C)[nH+]1 ZINC000097830053 533999264 /nfs/dbraw/zinc/99/92/64/533999264.db2.gz NVSVHLIYMJHPSM-UHFFFAOYSA-N 2 1 254.337 2.309 10 0 CEAEMP CC(C)C[C@@H]1CSC(N[C@H]2CC[N@H+]3CCC[C@H]23)=[NH+]1 ZINC000049569652 519277034 /nfs/dbraw/zinc/27/70/34/519277034.db2.gz VNEBCDSTYRMKMR-FRRDWIJNSA-N 2 1 267.442 2.330 10 0 CEAEMP CC(C)C[N@@H+](CCN(C)C)[C@H](C)CCC[NH2+]C1CC1 ZINC000052503370 519716757 /nfs/dbraw/zinc/71/67/57/519716757.db2.gz PAHUTVPNTUEIHS-OAHLLOKOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540314 519720531 /nfs/dbraw/zinc/72/05/31/519720531.db2.gz RUPKBFZZPBALFU-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccn2)O1 ZINC000052478889 519723464 /nfs/dbraw/zinc/72/34/64/519723464.db2.gz XKBQPXJAYNDKAS-HOTGVXAUSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)C1CCOCC1 ZINC000052481150 519728048 /nfs/dbraw/zinc/72/80/48/519728048.db2.gz AXLSTIWJKWGEBZ-UHFFFAOYSA-N 2 1 266.385 2.388 10 0 CEAEMP CC(C)CN1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055077564 519728406 /nfs/dbraw/zinc/72/84/06/519728406.db2.gz CBBJEKZAXYQOER-CVEARBPZSA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)CC2CC2)CCOCC1 ZINC000052182157 519742825 /nfs/dbraw/zinc/74/28/25/519742825.db2.gz RRGULUDZSQMGHI-UHFFFAOYSA-N 2 1 268.445 2.371 10 0 CEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C[C@@H]2CCCO2)CCOCC1 ZINC000052182996 519742927 /nfs/dbraw/zinc/74/29/27/519742927.db2.gz BAQISMNSMTVXHX-INIZCTEOSA-N 2 1 298.471 2.140 10 0 CEAEMP CC(C)C[NH2+]Cc1occc1CN1CCC[N@@H+](C)CC1 ZINC000052424417 519749463 /nfs/dbraw/zinc/74/94/63/519749463.db2.gz CDSIYHONFDJZOK-UHFFFAOYSA-N 2 1 279.428 2.163 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054629075 519908643 /nfs/dbraw/zinc/90/86/43/519908643.db2.gz ZRYYGJQCXQPYKF-CVGRLMLNSA-N 2 1 277.456 2.218 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(C2CC2)C1 ZINC000054629075 519908645 /nfs/dbraw/zinc/90/86/45/519908645.db2.gz ZRYYGJQCXQPYKF-CVGRLMLNSA-N 2 1 277.456 2.218 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C2CC2)C1 ZINC000054629075 519908648 /nfs/dbraw/zinc/90/86/48/519908648.db2.gz ZRYYGJQCXQPYKF-CVGRLMLNSA-N 2 1 277.456 2.218 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)N1CC[NH+](CCC)CC1 ZINC000052421966 519913008 /nfs/dbraw/zinc/91/30/08/519913008.db2.gz VNNJOHTXLMLAIU-OAHLLOKOSA-N 2 1 255.450 2.182 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547425 519927579 /nfs/dbraw/zinc/92/75/79/519927579.db2.gz VKPKQWVYYMVGDC-HRCADAONSA-N 2 1 286.460 2.281 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CCOC)CC(C)C)O1 ZINC000052508704 519936655 /nfs/dbraw/zinc/93/66/55/519936655.db2.gz PHVNCXZIHNUGCZ-CVEARBPZSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)C2CCCCCC2)nn1 ZINC000052482065 519959703 /nfs/dbraw/zinc/95/97/03/519959703.db2.gz PKKWVBOQMYXPGX-UHFFFAOYSA-N 2 1 293.459 2.432 10 0 CEAEMP CCC[NH2+]Cc1coc(C[N@@H+](CCOC)[C@H](C)COC)c1 ZINC000052572391 519964302 /nfs/dbraw/zinc/96/43/02/519964302.db2.gz PWUOPLNSVQVUGN-CQSZACIVSA-N 2 1 298.427 2.263 10 0 CEAEMP CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000069288300 520064113 /nfs/dbraw/zinc/06/41/13/520064113.db2.gz IREFTHCVDMTSSN-KGLIPLIRSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[NH2+][C@H](C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069074386 520083532 /nfs/dbraw/zinc/08/35/32/520083532.db2.gz UJBWNNJMSLGDLJ-MRXNPFEDSA-N 3 1 267.461 2.038 10 0 CEAEMP CCCCC[N@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)C(C)C ZINC000062463178 520173717 /nfs/dbraw/zinc/17/37/17/520173717.db2.gz DVGJVVFMQJOIHR-CQSZACIVSA-N 2 1 271.449 2.129 10 0 CEAEMP CCCCC[N@@H+](CC[C@@H]([NH2+]C(C)C)C(N)=O)C(C)C ZINC000062463178 520173729 /nfs/dbraw/zinc/17/37/29/520173729.db2.gz DVGJVVFMQJOIHR-CQSZACIVSA-N 2 1 271.449 2.129 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](CC)CCO ZINC000054560040 520219149 /nfs/dbraw/zinc/21/91/49/520219149.db2.gz FRKYYOAGLCQNMX-XHSDSOJGSA-N 2 1 270.461 2.351 10 0 CEAEMP CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]C2CC2)C1 ZINC000052371521 520271097 /nfs/dbraw/zinc/27/10/97/520271097.db2.gz XTBIWEMGAIITIN-DZGCQCFKSA-N 2 1 254.418 2.266 10 0 CEAEMP CCC[C@@H](C)[N@@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052480670 520645434 /nfs/dbraw/zinc/64/54/34/520645434.db2.gz DBGXPKACIYTCJZ-CQSZACIVSA-N 2 1 281.448 2.144 10 0 CEAEMP CC[N@@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CCCC1 ZINC000052457765 521185246 /nfs/dbraw/zinc/18/52/46/521185246.db2.gz ACMPGZACZYICHH-UHFFFAOYSA-N 2 1 293.459 2.431 10 0 CEAEMP CC[N@@H+](Cc1cc(C[NH2+]C)oc1C)[C@H](C)COC ZINC000052505051 521290672 /nfs/dbraw/zinc/29/06/72/521290672.db2.gz WXNIIOYZVNIAJK-LLVKDONJSA-N 2 1 254.374 2.164 10 0 CEAEMP CC[N@@H+](Cc1occc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052504767 521470824 /nfs/dbraw/zinc/47/08/24/521470824.db2.gz KAZIKTISGBSYEC-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CCN1CCC([N@@H+](C)CCCCC[NH2+]C2CC2)CC1 ZINC000052544048 521559865 /nfs/dbraw/zinc/55/98/65/521559865.db2.gz SKVYSFRDIIYABD-UHFFFAOYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC([N@H+](C)CCCCC[NH2+]C2CC2)CC1 ZINC000052544048 521559872 /nfs/dbraw/zinc/55/98/72/521559872.db2.gz SKVYSFRDIIYABD-UHFFFAOYSA-N 3 1 267.461 2.325 10 0 CEAEMP CC[NH+]1CCC([N@@H+](C)CCCCC[NH2+]C2CC2)CC1 ZINC000052544048 521559879 /nfs/dbraw/zinc/55/98/79/521559879.db2.gz SKVYSFRDIIYABD-UHFFFAOYSA-N 3 1 267.461 2.325 10 0 CEAEMP CCC(CC)[N@H+](CCOC)[C@]1(C[NH3+])CCCSC1 ZINC000061590243 521560834 /nfs/dbraw/zinc/56/08/34/521560834.db2.gz KXYFXKNSLASOCE-AWEZNQCLSA-N 2 1 274.474 2.348 10 0 CEAEMP CCC(CC)[N@@H+](CCOC)[C@]1(C[NH3+])CCCSC1 ZINC000061590243 521560838 /nfs/dbraw/zinc/56/08/38/521560838.db2.gz KXYFXKNSLASOCE-AWEZNQCLSA-N 2 1 274.474 2.348 10 0 CEAEMP CCN1CCC([N@H+](C)Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401455 521565441 /nfs/dbraw/zinc/56/54/41/521565441.db2.gz SOSNKPSWAOLQES-UHFFFAOYSA-N 2 1 279.403 2.201 10 0 CEAEMP CCN1CCC([N@@H+](C)Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401455 521565445 /nfs/dbraw/zinc/56/54/45/521565445.db2.gz SOSNKPSWAOLQES-UHFFFAOYSA-N 2 1 279.403 2.201 10 0 CEAEMP CC[NH+]1CCN([C@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810794 521694958 /nfs/dbraw/zinc/69/49/58/521694958.db2.gz OSMKAGBFYNALEA-CQSZACIVSA-N 2 1 273.380 2.070 10 0 CEAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1Cc2ccccc2O1 ZINC000054628391 521956792 /nfs/dbraw/zinc/95/67/92/521956792.db2.gz REXPWMAJQOIYTM-UYTSQGDYSA-N 2 1 272.392 2.205 10 0 CEAEMP C[NH2+]CC1(C[N@H+](C)Cc2ccoc2C)CCOCC1 ZINC000052197887 521968473 /nfs/dbraw/zinc/96/84/73/521968473.db2.gz VLIBNGQCNVHHAY-UHFFFAOYSA-N 2 1 266.385 2.036 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccoc2C)CCOCC1 ZINC000052197887 521968480 /nfs/dbraw/zinc/96/84/80/521968480.db2.gz VLIBNGQCNVHHAY-UHFFFAOYSA-N 2 1 266.385 2.036 10 0 CEAEMP C[NH2+]Cc1coc(C[N@@H+](CCOC)CC(C)C)c1 ZINC000052508614 522149074 /nfs/dbraw/zinc/14/90/74/522149074.db2.gz VYXNTAXCHYPUAR-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653640 522378310 /nfs/dbraw/zinc/37/83/10/522378310.db2.gz SYTMSAZBGLXQJM-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653640 522378316 /nfs/dbraw/zinc/37/83/16/522378316.db2.gz SYTMSAZBGLXQJM-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP C[N@@H+](CC1CC1)C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052483695 522630874 /nfs/dbraw/zinc/63/08/74/522630874.db2.gz IZSSRPYOSUWNMF-KGLIPLIRSA-N 2 1 254.418 2.264 10 0 CEAEMP COCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261584686 523043111 /nfs/dbraw/zinc/04/31/11/523043111.db2.gz HXTSQLUYRXUONQ-ARFHVFGLSA-N 2 1 260.381 2.002 10 0 CEAEMP CC[C@@H]1CCC[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180414 523265602 /nfs/dbraw/zinc/26/56/02/523265602.db2.gz QVKKQLGXMFUHHK-OAHLLOKOSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571058 523344656 /nfs/dbraw/zinc/34/46/56/523344656.db2.gz RLTUJPFTXNLYBK-GWCFXTLKSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])oc1C ZINC000052571058 523344663 /nfs/dbraw/zinc/34/46/63/523344663.db2.gz RLTUJPFTXNLYBK-GWCFXTLKSA-N 2 1 252.358 2.046 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197577 523505786 /nfs/dbraw/zinc/50/57/86/523505786.db2.gz BPDCJLWHLSGCLL-JKSUJKDBSA-N 2 1 298.471 2.281 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197577 523505795 /nfs/dbraw/zinc/50/57/95/523505795.db2.gz BPDCJLWHLSGCLL-JKSUJKDBSA-N 2 1 298.471 2.281 10 0 CEAEMP COCC[N@@H+](C)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000052572860 523615477 /nfs/dbraw/zinc/61/54/77/523615477.db2.gz UMHFRBDIIKMDQT-UHFFFAOYSA-N 2 1 280.412 2.142 10 0 CEAEMP COCC[N@@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052572918 523624412 /nfs/dbraw/zinc/62/44/12/523624412.db2.gz VPODHZLTBXXAOX-UHFFFAOYSA-N 2 1 250.386 2.263 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083593 523952214 /nfs/dbraw/zinc/95/22/14/523952214.db2.gz YNQSGYYAQZYHMM-JKSUJKDBSA-N 2 1 267.461 2.325 10 0 CEAEMP COc1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000054627567 523952542 /nfs/dbraw/zinc/95/25/42/523952542.db2.gz AUBIHKFKEDSPRK-GOOCMWNKSA-N 2 1 290.407 2.200 10 0 CEAEMP C[C@@H](C1CC1)[N@@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181786 524320446 /nfs/dbraw/zinc/32/04/46/524320446.db2.gz BYTYCCLOTIFYAT-ZDUSSCGKSA-N 2 1 266.429 2.266 10 0 CEAEMP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[NH+]1CCCCCCC1 ZINC000068617419 524652832 /nfs/dbraw/zinc/65/28/32/524652832.db2.gz JFONVAIXRIMPIC-CJNGLKHVSA-N 2 1 281.444 2.027 10 0 CEAEMP C[C@@H](Cn1c2ccc(N)cc2[nH+]c1C1CC1)[NH+](C)C ZINC000052854553 524945094 /nfs/dbraw/zinc/94/50/94/524945094.db2.gz SEROTVKHMFOSQH-JTQLQIEISA-N 2 1 258.369 2.446 10 0 CEAEMP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675054 525094926 /nfs/dbraw/zinc/09/49/26/525094926.db2.gz RGHYAVZCXJPTQK-CHWSQXEVSA-N 2 1 276.380 2.093 10 0 CEAEMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000049554275 525795844 /nfs/dbraw/zinc/79/58/44/525795844.db2.gz LRPBEGAIAXCKQK-NSHDSACASA-N 2 1 276.384 2.408 10 0 CEAEMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(O)CC[NH2+]CC1 ZINC000062014413 526044380 /nfs/dbraw/zinc/04/43/80/526044380.db2.gz WLNFCTTVSREPMC-LBPRGKRZSA-N 2 1 282.815 2.447 10 0 CEAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183503 526255848 /nfs/dbraw/zinc/25/58/48/526255848.db2.gz HZMNEFLKSCZROB-KBPBESRZSA-N 2 1 254.418 2.252 10 0 CEAEMP Cc1oc(C[NH+]2CCSCC2)cc1C[NH2+]C1CC1 ZINC000052425542 526771587 /nfs/dbraw/zinc/77/15/87/526771587.db2.gz OOIOSOMAGCBGOL-UHFFFAOYSA-N 2 1 266.410 2.389 10 0 CEAEMP Cc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]C(C)(C)C ZINC000054968952 526964249 /nfs/dbraw/zinc/96/42/49/526964249.db2.gz CCLKRZKAIOAGQK-UHFFFAOYSA-N 2 1 296.484 2.482 10 0 CEAEMP [NH3+]C[C@@]1(N(Cc2ccsc2)C2CC2)C[NH+]2CCC1CC2 ZINC000048953228 527222714 /nfs/dbraw/zinc/22/27/14/527222714.db2.gz UCTQTESKEBEZMD-MRXNPFEDSA-N 2 1 291.464 2.136 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000068749658 527247281 /nfs/dbraw/zinc/24/72/81/527247281.db2.gz FAYNUOIUEWSSFA-INIZCTEOSA-N 2 1 268.364 2.272 10 0 CEAEMP [NH3+]Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000061702262 527250475 /nfs/dbraw/zinc/25/04/75/527250475.db2.gz OPUCGSSADPTLMS-KRWDZBQOSA-N 2 1 283.375 2.194 10 0 CEAEMP [NH3+]Cc1coc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000052417326 527263476 /nfs/dbraw/zinc/26/34/76/527263476.db2.gz KPLXIANGBOSDHY-UHFFFAOYSA-N 2 1 271.364 2.061 10 0 CEAEMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398947900 628765970 /nfs/dbraw/zinc/76/59/70/628765970.db2.gz AJPYUSYFJWAHQO-JKSUJKDBSA-N 2 1 268.445 2.248 10 0 CEAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399245596 628787643 /nfs/dbraw/zinc/78/76/43/628787643.db2.gz JZUYOMDBPLFZGI-PVAVHDDUSA-N 2 1 282.472 2.494 10 0 CEAEMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258980793 628787850 /nfs/dbraw/zinc/78/78/50/628787850.db2.gz UXQHPLNHNLEYJG-SNVBAGLBSA-N 2 1 254.761 2.048 10 0 CEAEMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC1CC[NH+](C)CC1 ZINC000094434172 628893577 /nfs/dbraw/zinc/89/35/77/628893577.db2.gz UYASRTZGLQPLDW-DLBZAZTESA-N 2 1 279.472 2.277 10 0 CEAEMP C[N@H+](Cc1ccc(Br)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000231456171 639854504 /nfs/dbraw/zinc/85/45/04/639854504.db2.gz QTGXBTHIDREIPJ-CYBMUJFWSA-N 2 1 298.228 2.418 10 0 CEAEMP C[N@@H+](Cc1ccc(Br)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000231456171 639854505 /nfs/dbraw/zinc/85/45/05/639854505.db2.gz QTGXBTHIDREIPJ-CYBMUJFWSA-N 2 1 298.228 2.418 10 0 CEAEMP C[NH+](C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302106 282113518 /nfs/dbraw/zinc/11/35/18/282113518.db2.gz BVLCLOZUZCYHGR-SFHVURJKSA-N 3 1 289.467 2.494 10 0 CEAEMP CN(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302106 282113522 /nfs/dbraw/zinc/11/35/22/282113522.db2.gz BVLCLOZUZCYHGR-SFHVURJKSA-N 2 1 289.467 2.494 10 0 CEAEMP CN(C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302106 282113528 /nfs/dbraw/zinc/11/35/28/282113528.db2.gz BVLCLOZUZCYHGR-SFHVURJKSA-N 2 1 289.467 2.494 10 0 CEAEMP C[N@@H+]([C@H]1C[C@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264542 539212868 /nfs/dbraw/zinc/21/28/68/539212868.db2.gz URQOCWJRGDULTF-KBPBESRZSA-N 2 1 252.402 2.147 10 0 CEAEMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700562 365765193 /nfs/dbraw/zinc/76/51/93/365765193.db2.gz DXSZODMUZRUEHA-QGZVFWFLSA-N 2 1 288.435 2.355 10 0 CEAEMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700562 365765198 /nfs/dbraw/zinc/76/51/98/365765198.db2.gz DXSZODMUZRUEHA-QGZVFWFLSA-N 2 1 288.435 2.355 10 0 CEAEMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700562 365765203 /nfs/dbraw/zinc/76/52/03/365765203.db2.gz DXSZODMUZRUEHA-QGZVFWFLSA-N 2 1 288.435 2.355 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000251756467 344637443 /nfs/dbraw/zinc/63/74/43/344637443.db2.gz LOWGFGQQCHRUFT-KSSFIOAISA-N 2 1 285.435 2.001 10 0 CEAEMP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399019568 344856424 /nfs/dbraw/zinc/85/64/24/344856424.db2.gz GXAHIJZZRLBHPC-OAHLLOKOSA-N 2 1 276.424 2.054 10 0 CEAEMP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399116527 344857095 /nfs/dbraw/zinc/85/70/95/344857095.db2.gz MVQJUSYSGZDOOL-MRXNPFEDSA-N 2 1 262.397 2.184 10 0 CEAEMP C[N@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CCCCC1 ZINC000085304236 179010980 /nfs/dbraw/zinc/01/09/80/179010980.db2.gz KMSPZZAXSLTTDM-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP C[N@@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CCCCC1 ZINC000085304236 179010982 /nfs/dbraw/zinc/01/09/82/179010982.db2.gz KMSPZZAXSLTTDM-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)C1(C)C ZINC000085380397 179045521 /nfs/dbraw/zinc/04/55/21/179045521.db2.gz VCZOOTQPBAUGQQ-MELADBBJSA-N 2 1 256.434 2.366 10 0 CEAEMP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000085398040 179050685 /nfs/dbraw/zinc/05/06/85/179050685.db2.gz ZVTDNDFXTFWFCM-IHRRRGAJSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1(C)C ZINC000085400648 179051977 /nfs/dbraw/zinc/05/19/77/179051977.db2.gz JONBWYBHFHGVQB-SOUVJXGZSA-N 2 1 268.445 2.367 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)c1C ZINC000085521078 179087337 /nfs/dbraw/zinc/08/73/37/179087337.db2.gz GQVLHSZKBHAXLV-LRDDRELGSA-N 2 1 289.423 2.279 10 0 CEAEMP C([C@H]1CCCCO1)[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612616 179102972 /nfs/dbraw/zinc/10/29/72/179102972.db2.gz QDJHGJYYOAHMLW-CQSZACIVSA-N 2 1 252.402 2.164 10 0 CEAEMP CCOCC[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085614906 179104161 /nfs/dbraw/zinc/10/41/61/179104161.db2.gz QEFQHJAOPGNQAH-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP CCOCC[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085614906 179104165 /nfs/dbraw/zinc/10/41/65/179104165.db2.gz QEFQHJAOPGNQAH-HNNXBMFYSA-N 2 1 254.418 2.267 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1Cc1ccncc1 ZINC000085623934 179107460 /nfs/dbraw/zinc/10/74/60/179107460.db2.gz KMSHHMCYDVKXNY-BBRMVZONSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1Cc1ccncc1 ZINC000085623934 179107462 /nfs/dbraw/zinc/10/74/62/179107462.db2.gz KMSHHMCYDVKXNY-BBRMVZONSA-N 2 1 259.397 2.434 10 0 CEAEMP CCCO[C@@H]1CCC[N@H+]([C@@](CC)(CN)C2CC2)C1 ZINC000086120430 179235026 /nfs/dbraw/zinc/23/50/26/179235026.db2.gz PGLVEFLRXLCQOV-CABCVRRESA-N 2 1 254.418 2.395 10 0 CEAEMP CCCO[C@@H]1CCC[N@H+]([C@@](CC)(C[NH3+])C2CC2)C1 ZINC000086120430 179235029 /nfs/dbraw/zinc/23/50/29/179235029.db2.gz PGLVEFLRXLCQOV-CABCVRRESA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086173720 179244888 /nfs/dbraw/zinc/24/48/88/179244888.db2.gz WSKQZAXNWOAKSW-YVSFHVDLSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@H]1CN(C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086174188 179245988 /nfs/dbraw/zinc/24/59/88/179245988.db2.gz YNQVXCNIHOCXBT-ARFHVFGLSA-N 2 1 267.461 2.035 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223134 179251437 /nfs/dbraw/zinc/25/14/37/179251437.db2.gz OCPPGAMPWPXDEJ-NXHRZFHOSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@]1(C)C[N@@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261045 179259950 /nfs/dbraw/zinc/25/99/50/179259950.db2.gz ANMYLAGHDYWBBU-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@]1(C)CN(CCCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086261045 179259951 /nfs/dbraw/zinc/25/99/51/179259951.db2.gz ANMYLAGHDYWBBU-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261053 179260020 /nfs/dbraw/zinc/26/00/20/179260020.db2.gz WLZSXEMPGKEGBB-CABCVRRESA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261053 179260022 /nfs/dbraw/zinc/26/00/22/179260022.db2.gz WLZSXEMPGKEGBB-CABCVRRESA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CNC2(CCCC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261096 179260056 /nfs/dbraw/zinc/26/00/56/179260056.db2.gz HEFIVWIXRPTKTQ-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@H]1C[NH2+]C2(CCCC2)CN1CCCC[NH+](C)C ZINC000086261096 179260058 /nfs/dbraw/zinc/26/00/58/179260058.db2.gz HEFIVWIXRPTKTQ-HNNXBMFYSA-N 2 1 267.461 2.325 10 0 CEAEMP CC[C@H]1C[N@@H+](CCc2ccc(OC)cc2)CCC[NH2+]1 ZINC000086269446 179262018 /nfs/dbraw/zinc/26/20/18/179262018.db2.gz AIIJNTHNQMZTCZ-HNNXBMFYSA-N 2 1 262.397 2.312 10 0 CEAEMP C[C@@H]([C@H]1CCCO1)[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287104 179264056 /nfs/dbraw/zinc/26/40/56/179264056.db2.gz ZJVFJQJVDIADGF-MJBXVCDLSA-N 2 1 254.418 2.264 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC000086259206 179257639 /nfs/dbraw/zinc/25/76/39/179257639.db2.gz ZFLSCRZRLAVYLQ-KBAYOESNSA-N 2 1 293.499 2.427 10 0 CEAEMP C1CCC2(CC1)C[N@H+]([C@H]1CCCOC1)CCC[NH2+]2 ZINC000086297579 179267413 /nfs/dbraw/zinc/26/74/13/179267413.db2.gz IQZIRJDPCBOLCX-AWEZNQCLSA-N 2 1 252.402 2.164 10 0 CEAEMP CC[C@@H]1C[N@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296770 179267744 /nfs/dbraw/zinc/26/77/44/179267744.db2.gz KIFFVUHQLOLZTK-GFCCVEGCSA-N 2 1 253.415 2.068 10 0 CEAEMP CC[C@@H]1C[N@@H+](CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296770 179267746 /nfs/dbraw/zinc/26/77/46/179267746.db2.gz KIFFVUHQLOLZTK-GFCCVEGCSA-N 2 1 253.415 2.068 10 0 CEAEMP C(C[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1)OC1CCCCC1 ZINC000086298114 179269198 /nfs/dbraw/zinc/26/91/98/179269198.db2.gz QAJZAYJPYYVMBU-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP C(C[N@H+]1CCC[NH2+][C@@H](C2CC2)C1)OC1CCCCC1 ZINC000086298114 179269200 /nfs/dbraw/zinc/26/92/00/179269200.db2.gz QAJZAYJPYYVMBU-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP CC[NH2+][C@H]1CCCc2sc(N3CC[NH+](CC)CC3)nc21 ZINC000086442002 179293937 /nfs/dbraw/zinc/29/39/37/179293937.db2.gz CRPLFOVXTIUMBK-LBPRGKRZSA-N 2 1 294.468 2.272 10 0 CEAEMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)CS2)C1 ZINC000086633221 179315128 /nfs/dbraw/zinc/31/51/28/179315128.db2.gz JMIJXMCWHDVWOE-VXGBXAGGSA-N 2 1 255.431 2.045 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](COC)C(C)C)C1 ZINC000086695649 179320815 /nfs/dbraw/zinc/32/08/15/179320815.db2.gz WXDZOGLKUJDLSN-ILXRZTDVSA-N 2 1 256.434 2.367 10 0 CEAEMP CCN(c1ccccc1F)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819532 179348034 /nfs/dbraw/zinc/34/80/34/179348034.db2.gz LGPBHQAIILNAIH-MRXNPFEDSA-N 2 1 279.403 2.465 10 0 CEAEMP Cc1ccc(CN(C)[C@]2(C[NH3+])CCC[N@@H+](C)CC2)cc1 ZINC000086819254 179348145 /nfs/dbraw/zinc/34/81/45/179348145.db2.gz HIZXSPBNSOKTHI-QGZVFWFLSA-N 2 1 275.440 2.240 10 0 CEAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000086819597 179348388 /nfs/dbraw/zinc/34/83/88/179348388.db2.gz LXDNDIFMZCCIEJ-KRWDZBQOSA-N 2 1 279.472 2.456 10 0 CEAEMP CCN(c1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819534 179348829 /nfs/dbraw/zinc/34/88/29/179348829.db2.gz UXQAHRVAZHXRRX-MRXNPFEDSA-N 2 1 279.403 2.465 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2csc(C)n2)CC1 ZINC000086848241 179357290 /nfs/dbraw/zinc/35/72/90/179357290.db2.gz CXZYPABYSGYUAA-OAHLLOKOSA-N 2 1 296.484 2.087 10 0 CEAEMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837770 179351467 /nfs/dbraw/zinc/35/14/67/179351467.db2.gz MPONQWBDSBPATF-HOTGVXAUSA-N 2 1 297.487 2.342 10 0 CEAEMP CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842534 179352479 /nfs/dbraw/zinc/35/24/79/179352479.db2.gz GLEGWFGFMJWOFT-HUUCEWRRSA-N 2 1 256.434 2.246 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000086840624 179352892 /nfs/dbraw/zinc/35/28/92/179352892.db2.gz OVBZJASENFLZCV-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)CC1 ZINC000086840624 179352896 /nfs/dbraw/zinc/35/28/96/179352896.db2.gz OVBZJASENFLZCV-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)CC1 ZINC000086840624 179352897 /nfs/dbraw/zinc/35/28/97/179352897.db2.gz OVBZJASENFLZCV-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841923 179354064 /nfs/dbraw/zinc/35/40/64/179354064.db2.gz APJOEPRZMJZABE-HOTGVXAUSA-N 2 1 274.408 2.454 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845191 179354519 /nfs/dbraw/zinc/35/45/19/179354519.db2.gz VAUPCHZIWCOFTD-GFCCVEGCSA-N 2 1 282.350 2.419 10 0 CEAEMP Cc1cc[nH+]c(N)c1[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867651 179360794 /nfs/dbraw/zinc/36/07/94/179360794.db2.gz AJGZDTMTEIVIJO-HNNXBMFYSA-N 2 1 263.385 2.054 10 0 CEAEMP Cc1cc[nH+]c(N)c1[C@]1(O)CCC[N@H+](C(C)C)CC1 ZINC000086867651 179360797 /nfs/dbraw/zinc/36/07/97/179360797.db2.gz AJGZDTMTEIVIJO-HNNXBMFYSA-N 2 1 263.385 2.054 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000086850954 179358448 /nfs/dbraw/zinc/35/84/48/179358448.db2.gz OCBITAXPYDTBAK-INIZCTEOSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[C@H]1CCC[C@@](C[NH3+])([NH+](CCOC)CCOC)CC1 ZINC000086911318 179367162 /nfs/dbraw/zinc/36/71/62/179367162.db2.gz MXELHALOAFGZNC-JKSUJKDBSA-N 2 1 286.460 2.269 10 0 CEAEMP C[C@@H]1C[C@](C[NH3+])([N@H+]2C[C@@H](C)S[C@@H](C)C2)CS1 ZINC000086936868 179368024 /nfs/dbraw/zinc/36/80/24/179368024.db2.gz XPYOXRVHFQXAOI-WISYIIOYSA-N 2 1 260.472 2.035 10 0 CEAEMP C[C@@H]1C[C@](C[NH3+])([N@@H+]2C[C@@H](C)S[C@@H](C)C2)CS1 ZINC000086936868 179368025 /nfs/dbraw/zinc/36/80/25/179368025.db2.gz XPYOXRVHFQXAOI-WISYIIOYSA-N 2 1 260.472 2.035 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016494 179380383 /nfs/dbraw/zinc/38/03/83/179380383.db2.gz VZBUSRMXRDYEPX-CQSZACIVSA-N 2 1 254.418 2.144 10 0 CEAEMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045996 179388180 /nfs/dbraw/zinc/38/81/80/179388180.db2.gz LRFLZHDRVDMZPP-AWEZNQCLSA-N 2 1 268.445 2.249 10 0 CEAEMP C[NH2+][C@H](CSCC(C)C)Cc1c[nH+]ccc1N ZINC000087123183 179396070 /nfs/dbraw/zinc/39/60/70/179396070.db2.gz GBLASTYRYRUVBF-LBPRGKRZSA-N 2 1 253.415 2.184 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000090566001 180005920 /nfs/dbraw/zinc/00/59/20/180005920.db2.gz FRBKQGDKZHTMPP-CVEARBPZSA-N 2 1 262.397 2.133 10 0 CEAEMP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000090566973 180006493 /nfs/dbraw/zinc/00/64/93/180006493.db2.gz RLHKTGRDCJXBLK-CABCVRRESA-N 2 1 254.418 2.123 10 0 CEAEMP CCC(CC)(C[NH3+])[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874049 180049942 /nfs/dbraw/zinc/04/99/42/180049942.db2.gz HYECZPWPZNTTKM-AWEZNQCLSA-N 2 1 262.397 2.439 10 0 CEAEMP CCC(CC)(C[NH3+])[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874049 180049945 /nfs/dbraw/zinc/04/99/45/180049945.db2.gz HYECZPWPZNTTKM-AWEZNQCLSA-N 2 1 262.397 2.439 10 0 CEAEMP CC[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090876294 180052197 /nfs/dbraw/zinc/05/21/97/180052197.db2.gz KLNAMBVBFVEMGS-OWCLPIDISA-N 2 1 274.408 2.439 10 0 CEAEMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897439 180057431 /nfs/dbraw/zinc/05/74/31/180057431.db2.gz SGJYMRIFSRFEMH-HOCLYGCPSA-N 2 1 274.408 2.230 10 0 CEAEMP [NH3+]C1CC[NH+](C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900025 180058913 /nfs/dbraw/zinc/05/89/13/180058913.db2.gz ZEECPTUVBWRXNR-CYBMUJFWSA-N 2 1 266.772 2.067 10 0 CEAEMP CCC[N@@H+]1CC[C@@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275431 180119139 /nfs/dbraw/zinc/11/91/39/180119139.db2.gz BOWYKKJGOUNBQK-SWLSCSKDSA-N 2 1 262.401 2.210 10 0 CEAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275431 180119141 /nfs/dbraw/zinc/11/91/41/180119141.db2.gz BOWYKKJGOUNBQK-SWLSCSKDSA-N 2 1 262.401 2.210 10 0 CEAEMP C[N@H+](Cc1cncn1C1CC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091277113 180120326 /nfs/dbraw/zinc/12/03/26/180120326.db2.gz MPVAFTJIMGCYHT-IUODEOHRSA-N 2 1 262.401 2.167 10 0 CEAEMP C[N@@H+](Cc1cncn1C1CC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091277113 180120328 /nfs/dbraw/zinc/12/03/28/180120328.db2.gz MPVAFTJIMGCYHT-IUODEOHRSA-N 2 1 262.401 2.167 10 0 CEAEMP C[N@@H+](CC1CC(O)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000091489765 180168970 /nfs/dbraw/zinc/16/89/70/180168970.db2.gz PEAJZJXRDCEGFM-UHFFFAOYSA-N 2 1 256.434 2.103 10 0 CEAEMP CC[NH2+][C@H](C)C(C)(C)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000091404889 180147306 /nfs/dbraw/zinc/14/73/06/180147306.db2.gz YUMXRLRIYIZQNV-HUUCEWRRSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@H](O)c1c[nH+]ccc1N ZINC000091573396 180196276 /nfs/dbraw/zinc/19/62/76/180196276.db2.gz DQNPETYIBCGXRP-KGLIPLIRSA-N 2 1 251.374 2.208 10 0 CEAEMP CC[C@](C)([C@@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606345 180203824 /nfs/dbraw/zinc/20/38/24/180203824.db2.gz FJLBMOWLXNOODC-GDBMZVCRSA-N 2 1 276.428 2.059 10 0 CEAEMP COc1ccc(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)cc1F ZINC000091528363 180179410 /nfs/dbraw/zinc/17/94/10/180179410.db2.gz WEYVIRWRJCCSBB-CYBMUJFWSA-N 2 1 254.349 2.044 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721247 180239247 /nfs/dbraw/zinc/23/92/47/180239247.db2.gz UZYDKVROJORYRA-KZNAEPCWSA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721247 180239248 /nfs/dbraw/zinc/23/92/48/180239248.db2.gz UZYDKVROJORYRA-KZNAEPCWSA-N 2 1 288.435 2.297 10 0 CEAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1(N(C)C)CCCCCC1 ZINC000091654403 180217431 /nfs/dbraw/zinc/21/74/31/180217431.db2.gz MKDQFDDGLPDCLB-HNNXBMFYSA-N 2 1 290.455 2.449 10 0 CEAEMP Cc1ccc([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720653 180235543 /nfs/dbraw/zinc/23/55/43/180235543.db2.gz FFAIXISHHXGASZ-PMPSAXMXSA-N 2 1 260.381 2.166 10 0 CEAEMP [NH3+][C@H](Cc1ccccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720638 180235796 /nfs/dbraw/zinc/23/57/96/180235796.db2.gz HLVNLKODHUAOMH-YUELXQCFSA-N 2 1 280.799 2.073 10 0 CEAEMP CCc1ccc([C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720701 180236675 /nfs/dbraw/zinc/23/66/75/180236675.db2.gz LWCCYUUYAGMGQU-PMPSAXMXSA-N 2 1 260.381 2.112 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721791 180237497 /nfs/dbraw/zinc/23/74/97/180237497.db2.gz UCKCNICXGFWCRB-KZNAEPCWSA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721791 180237500 /nfs/dbraw/zinc/23/75/00/180237500.db2.gz UCKCNICXGFWCRB-KZNAEPCWSA-N 2 1 288.435 2.379 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721141 180237905 /nfs/dbraw/zinc/23/79/05/180237905.db2.gz DDTCZCSDLFUXQO-OAGGEKHMSA-N 2 1 294.826 2.334 10 0 CEAEMP C[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721141 180237907 /nfs/dbraw/zinc/23/79/07/180237907.db2.gz DDTCZCSDLFUXQO-OAGGEKHMSA-N 2 1 294.826 2.334 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721789 180238006 /nfs/dbraw/zinc/23/80/06/180238006.db2.gz UCKCNICXGFWCRB-KURKYZTESA-N 2 1 288.435 2.379 10 0 CEAEMP CC[NH2+][C@H](Cc1cccc(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721789 180238008 /nfs/dbraw/zinc/23/80/08/180238008.db2.gz UCKCNICXGFWCRB-KURKYZTESA-N 2 1 288.435 2.379 10 0 CEAEMP CCCC[C@H]([NH2+]CCC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722050 180239930 /nfs/dbraw/zinc/23/99/30/180239930.db2.gz YGRULGGKSGPSPA-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CCCC[C@H]([NH2+]CCC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722050 180239931 /nfs/dbraw/zinc/23/99/31/180239931.db2.gz YGRULGGKSGPSPA-QLFBSQMISA-N 2 1 254.418 2.408 10 0 CEAEMP CC(C)[NH2+]Cc1cnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091722442 180240703 /nfs/dbraw/zinc/24/07/03/180240703.db2.gz RBHHFVIWYHTFBF-YPMHNXCESA-N 2 1 281.425 2.177 10 0 CEAEMP CC(C)[NH2+]Cc1cnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091722442 180240704 /nfs/dbraw/zinc/24/07/04/180240704.db2.gz RBHHFVIWYHTFBF-YPMHNXCESA-N 2 1 281.425 2.177 10 0 CEAEMP CC[N@@H+]([C@H](C)C(=O)NCCC(C)C)C1CCC([NH3+])CC1 ZINC000091850639 180272411 /nfs/dbraw/zinc/27/24/11/180272411.db2.gz NFCZYDVZPPLSAK-WLYUNCDWSA-N 2 1 283.460 2.129 10 0 CEAEMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)C1CCC([NH3+])CC1 ZINC000091851010 180272498 /nfs/dbraw/zinc/27/24/98/180272498.db2.gz RIAFSDAKTHTGRI-DNOWBOINSA-N 2 1 283.460 2.272 10 0 CEAEMP CCC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1CCC([NH3+])CC1 ZINC000091852450 180272763 /nfs/dbraw/zinc/27/27/63/180272763.db2.gz VNRCCISXOIBRAI-WLYUNCDWSA-N 2 1 283.460 2.129 10 0 CEAEMP CC(C)[C@@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091843994 180269501 /nfs/dbraw/zinc/26/95/01/180269501.db2.gz LAYPZJAHGSFMDH-CVSAEHQPSA-N 2 1 254.418 2.392 10 0 CEAEMP C[N@@H+](Cc1nc2ccccc2[nH]1)C1CCC([NH3+])CC1 ZINC000091847141 180269935 /nfs/dbraw/zinc/26/99/35/180269935.db2.gz MYXXVFBVUQLSRL-UHFFFAOYSA-N 2 1 258.369 2.265 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC2(O)CCCCC2)CC1 ZINC000091870572 180277248 /nfs/dbraw/zinc/27/72/48/180277248.db2.gz SFSMIVLWHVUYRT-UHFFFAOYSA-N 2 1 254.418 2.144 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2nnc(C(C)(C)C)o2)CC1 ZINC000091873212 180277830 /nfs/dbraw/zinc/27/78/30/180277830.db2.gz CZVXGDMRIMMJPZ-UHFFFAOYSA-N 2 1 280.416 2.330 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000092050592 180312043 /nfs/dbraw/zinc/31/20/43/180312043.db2.gz FQLKIPHEXSATGU-CGZBRXJRSA-N 2 1 298.471 2.412 10 0 CEAEMP CCCC1CCC(C[NH3+])(OC[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000092050592 180312044 /nfs/dbraw/zinc/31/20/44/180312044.db2.gz FQLKIPHEXSATGU-CGZBRXJRSA-N 2 1 298.471 2.412 10 0 CEAEMP CCC[NH2+]Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000092003254 180304793 /nfs/dbraw/zinc/30/47/93/180304793.db2.gz FJSNPBDQSRYLHT-CVEARBPZSA-N 2 1 288.439 2.254 10 0 CEAEMP CCC[NH2+]Cc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000092003791 180304807 /nfs/dbraw/zinc/30/48/07/180304807.db2.gz NUKJAWDLHUEDOU-CVEARBPZSA-N 2 1 291.439 2.448 10 0 CEAEMP CC(C)[C@H]1CSC(NC[C@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000092402491 180377545 /nfs/dbraw/zinc/37/75/45/180377545.db2.gz QHKRWPHJUSYDQY-VXGBXAGGSA-N 2 1 255.431 2.188 10 0 CEAEMP CCN(CC)[C@H]1CC[N@H+](CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000110370823 186294765 /nfs/dbraw/zinc/29/47/65/186294765.db2.gz QBRHJAJNZLJMRP-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP CCN(CC)[C@H]1CC[N@@H+](CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000110370823 186294767 /nfs/dbraw/zinc/29/47/67/186294767.db2.gz QBRHJAJNZLJMRP-HOTGVXAUSA-N 2 1 267.461 2.182 10 0 CEAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704811 186314063 /nfs/dbraw/zinc/31/40/63/186314063.db2.gz YBNCGJMWYYCVIB-GDBMZVCRSA-N 2 1 275.440 2.409 10 0 CEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000110707167 186314250 /nfs/dbraw/zinc/31/42/50/186314250.db2.gz OTLNSOODKGOSSJ-YGRLFVJLSA-N 2 1 285.794 2.115 10 0 CEAEMP COc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704708 186314934 /nfs/dbraw/zinc/31/49/34/186314934.db2.gz VDKHMLKETKHVBN-XJKSGUPXSA-N 2 1 291.439 2.110 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705281 186315116 /nfs/dbraw/zinc/31/51/16/186315116.db2.gz RCSQEHZDKKOIHR-IUODEOHRSA-N 2 1 279.403 2.240 10 0 CEAEMP COc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000110711645 186316211 /nfs/dbraw/zinc/31/62/11/186316211.db2.gz AVQFIQNSARUIET-HNNXBMFYSA-N 2 1 291.439 2.029 10 0 CEAEMP CCC[NH2+][C@@H](CN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000110717252 186316406 /nfs/dbraw/zinc/31/64/06/186316406.db2.gz ZNXRQLJZAKBGTE-AWEZNQCLSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110747006 186322211 /nfs/dbraw/zinc/32/22/11/186322211.db2.gz JBEMBINIQDSQCH-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747006 186322213 /nfs/dbraw/zinc/32/22/13/186322213.db2.gz JBEMBINIQDSQCH-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747006 186322214 /nfs/dbraw/zinc/32/22/14/186322214.db2.gz JBEMBINIQDSQCH-LSDHHAIUSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](CC)CCOCC ZINC000111123776 186354789 /nfs/dbraw/zinc/35/47/89/186354789.db2.gz RCZCLZYINAMXHR-UHFFFAOYSA-N 2 1 254.374 2.248 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)C[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000111143703 186358340 /nfs/dbraw/zinc/35/83/40/186358340.db2.gz MAHYBLNNRCCTMF-LESVLKBLSA-N 2 1 294.483 2.447 10 0 CEAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccccc2)CCCOC1 ZINC000111324138 186396833 /nfs/dbraw/zinc/39/68/33/186396833.db2.gz WYJBYVTYLPAXMK-INIZCTEOSA-N 2 1 262.397 2.135 10 0 CEAEMP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320653 186396922 /nfs/dbraw/zinc/39/69/22/186396922.db2.gz STXAJICJQGBPRB-CVEARBPZSA-N 2 1 262.397 2.262 10 0 CEAEMP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320653 186396923 /nfs/dbraw/zinc/39/69/23/186396923.db2.gz STXAJICJQGBPRB-CVEARBPZSA-N 2 1 262.397 2.262 10 0 CEAEMP CC(C)C[NH2+]C[C@]1(C[N@@H+](C)C2CCOCC2)CCCOC1 ZINC000111325750 186398214 /nfs/dbraw/zinc/39/82/14/186398214.db2.gz KAZGXOARPVGJTB-KRWDZBQOSA-N 2 1 298.471 2.140 10 0 CEAEMP C[N@@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CCCC1 ZINC000111324825 186398258 /nfs/dbraw/zinc/39/82/58/186398258.db2.gz XRCXOECNCFCOTE-MRXNPFEDSA-N 2 1 266.429 2.410 10 0 CEAEMP C[N@@H+](C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CCOCC1 ZINC000111325766 186398494 /nfs/dbraw/zinc/39/84/94/186398494.db2.gz FOAFQYMRNRCKKK-KRWDZBQOSA-N 2 1 298.471 2.282 10 0 CEAEMP C[N@@H+](Cc1cccc(F)c1)C[C@]1(C[NH3+])CCCOC1 ZINC000111324511 186398701 /nfs/dbraw/zinc/39/87/01/186398701.db2.gz ZXKZCEQMKZRBBX-OAHLLOKOSA-N 2 1 266.360 2.013 10 0 CEAEMP CC1(C)CCC[N@H+]1C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111329499 186399795 /nfs/dbraw/zinc/39/97/95/186399795.db2.gz IDEJECLGNJIVHP-INIZCTEOSA-N 2 1 266.429 2.410 10 0 CEAEMP Cc1ccsc1[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000111237360 186372949 /nfs/dbraw/zinc/37/29/49/186372949.db2.gz DCLPZVGXYVAZKB-GFCCVEGCSA-N 2 1 267.442 2.082 10 0 CEAEMP CO[C@@H]1C[N@H+](CCCCC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363371 351712191 /nfs/dbraw/zinc/71/21/91/351712191.db2.gz BEKMOOPMZFDBIH-HOTGVXAUSA-N 2 1 284.444 2.021 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCCCC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363371 351712193 /nfs/dbraw/zinc/71/21/93/351712193.db2.gz BEKMOOPMZFDBIH-HOTGVXAUSA-N 2 1 284.444 2.021 10 0 CEAEMP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261848435 283014055 /nfs/dbraw/zinc/01/40/55/283014055.db2.gz AYZQXTKDRIRKKA-ARFHVFGLSA-N 2 1 278.371 2.072 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832314 299280453 /nfs/dbraw/zinc/28/04/53/299280453.db2.gz HVRQGHJISCIEMC-RYQLBKOJSA-N 2 1 287.451 2.239 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832314 299280455 /nfs/dbraw/zinc/28/04/55/299280455.db2.gz HVRQGHJISCIEMC-RYQLBKOJSA-N 2 1 287.451 2.239 10 0 CEAEMP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000178306802 189104638 /nfs/dbraw/zinc/10/46/38/189104638.db2.gz CUBNXPXOFGJJOA-ZDUSSCGKSA-N 2 1 260.341 2.153 10 0 CEAEMP Cc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000178306802 189104639 /nfs/dbraw/zinc/10/46/39/189104639.db2.gz CUBNXPXOFGJJOA-ZDUSSCGKSA-N 2 1 260.341 2.153 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])[C@H]1CCc2c(O)cccc2C1 ZINC000027998587 361665311 /nfs/dbraw/zinc/66/53/11/361665311.db2.gz STZVDNIQZPXBQC-AWEZNQCLSA-N 2 1 262.397 2.310 10 0 CEAEMP Cn1c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000275452835 193044287 /nfs/dbraw/zinc/04/42/87/193044287.db2.gz GRTVHMQGBNUCJF-CYBMUJFWSA-N 2 1 295.390 2.122 10 0 CEAEMP C[C@H]([NH3+])C[C@H](C)Nc1cc[nH+]cc1Br ZINC000160032159 366966988 /nfs/dbraw/zinc/96/69/88/366966988.db2.gz DREKJORIAFYMOH-YUMQZZPRSA-N 2 1 258.163 2.382 10 0 CEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[NH+]1CCCCC1 ZINC000245437983 370819769 /nfs/dbraw/zinc/81/97/69/370819769.db2.gz RVVBDSTYCHGDGB-CVEARBPZSA-N 2 1 265.445 2.031 10 0 CEAEMP O[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)C[NH+]1CCCCC1 ZINC000171130197 367484871 /nfs/dbraw/zinc/48/48/71/367484871.db2.gz XTRDFURJBVJMOQ-HNNXBMFYSA-N 2 1 287.407 2.104 10 0 CEAEMP C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631843129 367585412 /nfs/dbraw/zinc/58/54/12/367585412.db2.gz JNZPMSNPASYRFN-NWDGAFQWSA-N 2 1 268.788 2.245 10 0 CEAEMP CC(C)OC(=O)CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000173778806 367943128 /nfs/dbraw/zinc/94/31/28/367943128.db2.gz IOAPRLJPKBDOEH-CQSZACIVSA-N 2 1 291.395 2.157 10 0 CEAEMP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000634998244 369029460 /nfs/dbraw/zinc/02/94/60/369029460.db2.gz CLXNHPMXIMWRPW-OCCSQVGLSA-N 2 1 278.396 2.039 10 0 CEAEMP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246811830 371015640 /nfs/dbraw/zinc/01/56/40/371015640.db2.gz AAGSHQIDJUBZII-UONOGXRCSA-N 2 1 291.395 2.157 10 0 CEAEMP CCOC(=O)[C@@H](CC)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246811830 371015643 /nfs/dbraw/zinc/01/56/43/371015643.db2.gz AAGSHQIDJUBZII-UONOGXRCSA-N 2 1 291.395 2.157 10 0 CEAEMP O[C@@]12CCCC[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000249308322 371313330 /nfs/dbraw/zinc/31/33/30/371313330.db2.gz DIGTZKNKIZILCP-DLBZAZTESA-N 2 1 280.456 2.489 10 0 CEAEMP C(CN1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000249378987 371317164 /nfs/dbraw/zinc/31/71/64/371317164.db2.gz OPVXJYZXLHIACF-INIZCTEOSA-N 2 1 265.445 2.033 10 0 CEAEMP COC[C@@H](C)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000249984133 371374624 /nfs/dbraw/zinc/37/46/24/371374624.db2.gz ZAQQMQDCJGNPLX-DZGCQCFKSA-N 2 1 277.412 2.406 10 0 CEAEMP COC[C@@H](C)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000249984133 371374628 /nfs/dbraw/zinc/37/46/28/371374628.db2.gz ZAQQMQDCJGNPLX-DZGCQCFKSA-N 2 1 277.412 2.406 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]12 ZINC000261848800 371749971 /nfs/dbraw/zinc/74/99/71/371749971.db2.gz WKDPROQFHHPRIO-DDTOSNHZSA-N 2 1 290.798 2.157 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]12 ZINC000261848800 371749979 /nfs/dbraw/zinc/74/99/79/371749979.db2.gz WKDPROQFHHPRIO-DDTOSNHZSA-N 2 1 290.798 2.157 10 0 CEAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C)C1 ZINC000261927689 371772304 /nfs/dbraw/zinc/77/23/04/371772304.db2.gz LEHHLRIKAVTNIE-RRFJBIMHSA-N 2 1 254.418 2.123 10 0 CEAEMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000261925472 371773001 /nfs/dbraw/zinc/77/30/01/371773001.db2.gz CBKAFCSPQMYMTL-WBVHZDCISA-N 2 1 289.467 2.424 10 0 CEAEMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262006945 371797342 /nfs/dbraw/zinc/79/73/42/371797342.db2.gz VDZPDLVTHHUNIR-RFBLXINOSA-N 2 1 266.429 2.312 10 0 CEAEMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399153033 375358582 /nfs/dbraw/zinc/35/85/82/375358582.db2.gz CAGPUFSYQCOOAR-KGLIPLIRSA-N 2 1 254.418 2.002 10 0 CEAEMP C[NH+](C)C1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185181081 542302739 /nfs/dbraw/zinc/30/27/39/542302739.db2.gz SPTFIGICDLRVCN-UHFFFAOYSA-N 2 1 293.430 2.284 10 0 CEAEMP CC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@@H+](CC1CC1)C1CC1 ZINC000093618121 184696803 /nfs/dbraw/zinc/69/68/03/184696803.db2.gz VQDLVQWELMDQBZ-DOTOQJQBSA-N 2 1 280.456 2.392 10 0 CEAEMP CC[C@H]1C[C@H]([N@@H+](CC)CC2CC[NH2+]CC2)CCO1 ZINC000094011430 184750708 /nfs/dbraw/zinc/75/07/08/184750708.db2.gz WFUSWXGCACXVGG-CABCVRRESA-N 2 1 254.418 2.266 10 0 CEAEMP CCc1cc(N2CCCC[C@H]2CC[NH2+]C)nc(C)[nH+]1 ZINC000088760666 135056945 /nfs/dbraw/zinc/05/69/45/135056945.db2.gz MHAOZAWUOWBJEE-AWEZNQCLSA-N 2 1 262.401 2.316 10 0 CEAEMP CSC1(C[NH3+])CCN(c2ccc(C)c[nH+]2)CC1 ZINC000091474548 135070383 /nfs/dbraw/zinc/07/03/83/135070383.db2.gz CJSVJFUXCOOEJE-UHFFFAOYSA-N 2 1 251.399 2.051 10 0 CEAEMP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093068323 135078980 /nfs/dbraw/zinc/07/89/80/135078980.db2.gz LCVDUGBUOAOYIC-LSDHHAIUSA-N 2 1 261.413 2.053 10 0 CEAEMP CCC[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000093068418 135079011 /nfs/dbraw/zinc/07/90/11/135079011.db2.gz GMYGNXGAXCRMJE-HOTGVXAUSA-N 2 1 290.455 2.228 10 0 CEAEMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000381143300 395172942 /nfs/dbraw/zinc/17/29/42/395172942.db2.gz KAPLKHCSBTUSRI-USXIJHARSA-N 2 1 274.408 2.351 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223146849 153315707 /nfs/dbraw/zinc/31/57/07/153315707.db2.gz VYPXURNRGMILLR-SOUVJXGZSA-N 2 1 255.450 2.035 10 0 CEAEMP Brc1c[nH+]ccc1NC[C@H]1CCC[NH2+]1 ZINC000159894623 162317969 /nfs/dbraw/zinc/31/79/69/162317969.db2.gz RGMBLFHCNUARFM-MRVPVSSYSA-N 2 1 256.147 2.008 10 0 CEAEMP C[C@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000159905702 162320129 /nfs/dbraw/zinc/32/01/29/162320129.db2.gz ZGCPWYIPXRGDJC-VHSXEESVSA-N 2 1 284.201 2.408 10 0 CEAEMP C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178976956 165267224 /nfs/dbraw/zinc/26/72/24/165267224.db2.gz UPWUWRHFEGNYCQ-ZUOKHONESA-N 2 1 294.464 2.416 10 0 CEAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217718 171080629 /nfs/dbraw/zinc/08/06/29/171080629.db2.gz CBYXFOQSWRYYQD-GJZGRUSLSA-N 2 1 255.450 2.168 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])[C@@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000020260533 171116608 /nfs/dbraw/zinc/11/66/08/171116608.db2.gz LFZWFZJYTMTLHW-ZBFHGGJFSA-N 2 1 261.413 2.021 10 0 CEAEMP C[N@H+]1CCCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000020260623 171117511 /nfs/dbraw/zinc/11/75/11/171117511.db2.gz BLUPYFWIJIVBSM-SOUVJXGZSA-N 2 1 267.461 2.166 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022155105 171361635 /nfs/dbraw/zinc/36/16/35/171361635.db2.gz BKZZCCHOTQAAFP-CYBMUJFWSA-N 2 1 275.396 2.206 10 0 CEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022162612 171364866 /nfs/dbraw/zinc/36/48/66/171364866.db2.gz FWILDUDCYXJPBV-OKILXGFUSA-N 2 1 289.423 2.452 10 0 CEAEMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C ZINC000037167645 173002828 /nfs/dbraw/zinc/00/28/28/173002828.db2.gz RHLWSWFXHASPPS-NDNKKMJESA-N 2 1 262.401 2.004 10 0 CEAEMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1C ZINC000037167645 173002829 /nfs/dbraw/zinc/00/28/29/173002829.db2.gz RHLWSWFXHASPPS-NDNKKMJESA-N 2 1 262.401 2.004 10 0 CEAEMP C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040717007 174384643 /nfs/dbraw/zinc/38/46/43/174384643.db2.gz KRKKMIDNMXLYFU-ZDUSSCGKSA-N 2 1 275.396 2.206 10 0 CEAEMP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](CC)CC1 ZINC000043363782 175024043 /nfs/dbraw/zinc/02/40/43/175024043.db2.gz URGKFIYPMPKOBH-DZGCQCFKSA-N 2 1 265.401 2.004 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](C2CC2)CC1 ZINC000043364835 175025985 /nfs/dbraw/zinc/02/59/85/175025985.db2.gz SWXYBOVIUHHSJP-ZBFHGGJFSA-N 2 1 277.412 2.146 10 0 CEAEMP CCC[NH2+][C@H](CN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000043818525 175112927 /nfs/dbraw/zinc/11/29/27/175112927.db2.gz MSJJIZPSCVZGGH-CQSZACIVSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCC[N@@H+](C)CC1 ZINC000043818423 175113048 /nfs/dbraw/zinc/11/30/48/175113048.db2.gz RWVSFYITABCJKN-HUUCEWRRSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900037 175121693 /nfs/dbraw/zinc/12/16/93/175121693.db2.gz QJIISSCGMZMPJZ-JJXSEGSLSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900037 175121695 /nfs/dbraw/zinc/12/16/95/175121695.db2.gz QJIISSCGMZMPJZ-JJXSEGSLSA-N 2 1 266.429 2.266 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)CCC(C)C)OCCO2 ZINC000043914915 175124384 /nfs/dbraw/zinc/12/43/84/175124384.db2.gz UTTXYVNSXDODAI-GJZGRUSLSA-N 2 1 284.444 2.238 10 0 CEAEMP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)CCC(C)C)OCCO2 ZINC000043914915 175124386 /nfs/dbraw/zinc/12/43/86/175124386.db2.gz UTTXYVNSXDODAI-GJZGRUSLSA-N 2 1 284.444 2.238 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CCCOC)CCOC ZINC000043970964 175132012 /nfs/dbraw/zinc/13/20/12/175132012.db2.gz PHVISCQNQQALPJ-JYJNAYRXSA-N 2 1 286.460 2.138 10 0 CEAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCCOC)CCOC ZINC000043970964 175132013 /nfs/dbraw/zinc/13/20/13/175132013.db2.gz PHVISCQNQQALPJ-JYJNAYRXSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+][C@H]1CCC[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970785 175132186 /nfs/dbraw/zinc/13/21/86/175132186.db2.gz FSPDNYNUPAMVJV-JKSUJKDBSA-N 3 1 267.461 2.181 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1(C[NH3+])CCCCC1 ZINC000044762199 175246216 /nfs/dbraw/zinc/24/62/16/175246216.db2.gz REAGTDFWCJGUCX-HNNXBMFYSA-N 2 1 295.471 2.276 10 0 CEAEMP C[C@@H](Cn1c(N)[nH+]c2cc(Br)ccc21)[NH+](C)C ZINC000045108625 175308724 /nfs/dbraw/zinc/30/87/24/175308724.db2.gz WEDQQVXPCLGKLJ-QMMMGPOBSA-N 2 1 297.200 2.331 10 0 CEAEMP CC[C@@H]1CCN(C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136744 175313852 /nfs/dbraw/zinc/31/38/52/175313852.db2.gz AYCLZLAIYRHBED-JKSUJKDBSA-N 2 1 267.461 2.181 10 0 CEAEMP CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045370506 175364121 /nfs/dbraw/zinc/36/41/21/175364121.db2.gz XHCAOAAMARLXGV-HNNXBMFYSA-N 2 1 271.449 2.132 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045381737 175369702 /nfs/dbraw/zinc/36/97/02/175369702.db2.gz GKZAVBOGBOPXBI-MRXNPFEDSA-N 2 1 285.476 2.377 10 0 CEAEMP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045388116 175374043 /nfs/dbraw/zinc/37/40/43/175374043.db2.gz KHEMVJROSTZEIA-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045388116 175374044 /nfs/dbraw/zinc/37/40/44/175374044.db2.gz KHEMVJROSTZEIA-CQSZACIVSA-N 2 1 258.406 2.040 10 0 CEAEMP Cc1cc[nH+]c(N[C@H](CC(C)C)C[NH+](C)C)c1N ZINC000070496413 175957467 /nfs/dbraw/zinc/95/74/67/175957467.db2.gz YTQREAYPEGSVBI-GFCCVEGCSA-N 2 1 250.390 2.360 10 0 CEAEMP CC[C@H]1CCC[C@@H]([N@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147387 176043613 /nfs/dbraw/zinc/04/36/13/176043613.db2.gz VPKLLSXEVTYIDO-JKSUJKDBSA-N 2 1 267.461 2.312 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188085 176061526 /nfs/dbraw/zinc/06/15/26/176061526.db2.gz WUNPGMQCROCONR-XJKCOSOUSA-N 2 1 279.403 2.098 10 0 CEAEMP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188075 176062072 /nfs/dbraw/zinc/06/20/72/176062072.db2.gz DRDSOOVJWFFGEJ-IOASZLSFSA-N 2 1 279.403 2.098 10 0 CEAEMP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187963 176062318 /nfs/dbraw/zinc/06/23/18/176062318.db2.gz DBMRNSSNONXJMR-MCIONIFRSA-N 2 1 281.469 2.328 10 0 CEAEMP CC(C)C1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000071188374 176062960 /nfs/dbraw/zinc/06/29/60/176062960.db2.gz UAGPNPOORBHELE-KLAILNCOSA-N 2 1 281.488 2.414 10 0 CEAEMP CC[C@H]([C@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188685 176063988 /nfs/dbraw/zinc/06/39/88/176063988.db2.gz QMWPGRRIVZPOFM-DJIMGWMZSA-N 2 1 275.440 2.349 10 0 CEAEMP Cc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000071188775 176064072 /nfs/dbraw/zinc/06/40/72/176064072.db2.gz HNQUNFIVOFQYTE-WBVHZDCISA-N 2 1 275.440 2.187 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000071189306 176064245 /nfs/dbraw/zinc/06/42/45/176064245.db2.gz WQPNXBWSJMWTEQ-JTQLQIEISA-N 2 1 280.803 2.012 10 0 CEAEMP CCC[NH2+][C@H](CC)[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189035 176064306 /nfs/dbraw/zinc/06/43/06/176064306.db2.gz XJVYHMZVWPYBHQ-RRFJBIMHSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[NH2+]Cc1ccccc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071190062 176065935 /nfs/dbraw/zinc/06/59/35/176065935.db2.gz ZOVZMTQPCDVLQK-AWEZNQCLSA-N 2 1 261.413 2.184 10 0 CEAEMP CC[NH2+]Cc1nc(N(C)C[C@@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000071191788 176072903 /nfs/dbraw/zinc/07/29/03/176072903.db2.gz LPCVEPSMYSZWSZ-GFCCVEGCSA-N 2 1 296.846 2.232 10 0 CEAEMP C[C@@H](CNc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192182 176073698 /nfs/dbraw/zinc/07/36/98/176073698.db2.gz OASFJAVELCVBDM-LSDHHAIUSA-N 2 1 261.413 2.371 10 0 CEAEMP C[C@@H](CNc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192182 176073699 /nfs/dbraw/zinc/07/36/99/176073699.db2.gz OASFJAVELCVBDM-LSDHHAIUSA-N 2 1 261.413 2.371 10 0 CEAEMP C[C@@H](CNc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192182 176073701 /nfs/dbraw/zinc/07/37/01/176073701.db2.gz OASFJAVELCVBDM-LSDHHAIUSA-N 2 1 261.413 2.371 10 0 CEAEMP C[C@@H]([NH3+])c1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071193056 176075497 /nfs/dbraw/zinc/07/54/97/176075497.db2.gz SEMXLSUOOFLKOU-CHWSQXEVSA-N 2 1 290.411 2.122 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000071263551 176096576 /nfs/dbraw/zinc/09/65/76/176096576.db2.gz UWOXPRCJLFVEGM-HOTGVXAUSA-N 2 1 278.371 2.428 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000071263551 176096578 /nfs/dbraw/zinc/09/65/78/176096578.db2.gz UWOXPRCJLFVEGM-HOTGVXAUSA-N 2 1 278.371 2.428 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CCCO ZINC000071263625 176096680 /nfs/dbraw/zinc/09/66/80/176096680.db2.gz XEDDCTYLPJPBIS-HNNXBMFYSA-N 2 1 266.360 2.021 10 0 CEAEMP C[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])C[C@@H]1CCCCO1 ZINC000071267795 176101293 /nfs/dbraw/zinc/10/12/93/176101293.db2.gz FAVKRMCIGCTVRB-ZDUSSCGKSA-N 2 1 279.359 2.111 10 0 CEAEMP C[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])C[C@@H]1CCCCO1 ZINC000071267795 176101294 /nfs/dbraw/zinc/10/12/94/176101294.db2.gz FAVKRMCIGCTVRB-ZDUSSCGKSA-N 2 1 279.359 2.111 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncccc1C ZINC000071345259 176131442 /nfs/dbraw/zinc/13/14/42/176131442.db2.gz PNEJYZOGDHAFHF-GOOCMWNKSA-N 2 1 259.397 2.495 10 0 CEAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncccc1C ZINC000071345259 176131443 /nfs/dbraw/zinc/13/14/43/176131443.db2.gz PNEJYZOGDHAFHF-GOOCMWNKSA-N 2 1 259.397 2.495 10 0 CEAEMP CC[C@H]1CN(CCn2cc[nH+]c2C)C2(CCCC2)C[NH2+]1 ZINC000071345278 176131551 /nfs/dbraw/zinc/13/15/51/176131551.db2.gz LAAVMDAWXGFTQD-HNNXBMFYSA-N 2 1 276.428 2.188 10 0 CEAEMP C[C@H](CN[C@H]1CCC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000390609540 262226672 /nfs/dbraw/zinc/22/66/72/262226672.db2.gz ZDWWJVAYJFOJAR-WBVHZDCISA-N 2 1 275.440 2.239 10 0 CEAEMP C[C@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000390609540 262226673 /nfs/dbraw/zinc/22/66/73/262226673.db2.gz ZDWWJVAYJFOJAR-WBVHZDCISA-N 2 1 275.440 2.239 10 0 CEAEMP Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261896792 278995970 /nfs/dbraw/zinc/99/59/70/278995970.db2.gz HGAGNEGVCWHQGN-MCIONIFRSA-N 2 1 280.437 2.303 10 0 CEAEMP CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000161985180 281292611 /nfs/dbraw/zinc/29/26/11/281292611.db2.gz MWEGKFLDMSLMDB-BMFZPTHFSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161985180 281292613 /nfs/dbraw/zinc/29/26/13/281292613.db2.gz MWEGKFLDMSLMDB-BMFZPTHFSA-N 2 1 266.429 2.096 10 0 CEAEMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161985180 281292614 /nfs/dbraw/zinc/29/26/14/281292614.db2.gz MWEGKFLDMSLMDB-BMFZPTHFSA-N 2 1 266.429 2.096 10 0 CEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262281927 289259363 /nfs/dbraw/zinc/25/93/63/289259363.db2.gz LGKIHRQXPNLRIY-KFWWJZLASA-N 2 1 295.471 2.131 10 0 CEAEMP [NH3+]C1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000333160187 303362185 /nfs/dbraw/zinc/36/21/85/303362185.db2.gz NTJZXOIRUCCUOV-BHUNQDJPSA-N 3 1 291.414 2.131 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419890 519743741 /nfs/dbraw/zinc/74/37/41/519743741.db2.gz SYQFDSFWESGRRN-OAHLLOKOSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CCOC)CC(C)C)O1 ZINC000052508703 519925766 /nfs/dbraw/zinc/92/57/66/519925766.db2.gz PHVNCXZIHNUGCZ-HOTGVXAUSA-N 2 1 286.460 2.138 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593700 519927813 /nfs/dbraw/zinc/92/78/13/519927813.db2.gz GLQBWLQZJNPZBS-UONOGXRCSA-N 2 1 251.374 2.047 10 0 CEAEMP CCC[NH2+]Cc1cc(COCC[C@H]2CCC[N@H+]2C)on1 ZINC000052673342 519944702 /nfs/dbraw/zinc/94/47/02/519944702.db2.gz NNAMZVNLLXUBRK-CQSZACIVSA-N 2 1 281.400 2.175 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000052380247 520003397 /nfs/dbraw/zinc/00/33/97/520003397.db2.gz LSGXTKAMCNKZDO-OKILXGFUSA-N 2 1 262.397 2.405 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000052380247 520003400 /nfs/dbraw/zinc/00/34/00/520003400.db2.gz LSGXTKAMCNKZDO-OKILXGFUSA-N 2 1 262.397 2.405 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623389 520115460 /nfs/dbraw/zinc/11/54/60/520115460.db2.gz RTEXMTWGPGLDNS-OFQRWUPVSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)[N@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623389 520115465 /nfs/dbraw/zinc/11/54/65/520115465.db2.gz RTEXMTWGPGLDNS-OFQRWUPVSA-N 2 1 283.460 2.273 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1CCC)C(N)=O ZINC000068650283 520116729 /nfs/dbraw/zinc/11/67/29/520116729.db2.gz IMGZJMFRWRSWGI-SWLSCSKDSA-N 2 1 280.416 2.030 10 0 CEAEMP CCC[C@](C)(C[NH2+]CC(C)C)C[N@H+]1CC[C@H](O)C1 ZINC000061711748 521266756 /nfs/dbraw/zinc/26/67/56/521266756.db2.gz FJOOVCMPDJPLNJ-LSDHHAIUSA-N 2 1 256.434 2.105 10 0 CEAEMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418935 522015892 /nfs/dbraw/zinc/01/58/92/522015892.db2.gz OCHODRSTKQOICU-OAHLLOKOSA-N 2 1 261.413 2.115 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517754 522096956 /nfs/dbraw/zinc/09/69/56/522096956.db2.gz DNCVMDNBJBTHCN-BZUAXINKSA-N 2 1 266.429 2.408 10 0 CEAEMP COC[C@@H](C)[N@@H+](C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052511520 522221286 /nfs/dbraw/zinc/22/12/86/522221286.db2.gz IYXJILUWEAQOHV-CYBMUJFWSA-N 2 1 268.401 2.492 10 0 CEAEMP C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)[NH2+]C1CCOCC1 ZINC000062767720 518388044 /nfs/dbraw/zinc/38/80/44/518388044.db2.gz LZMPPGQORBDFNA-ZBFHGGJFSA-N 2 1 266.429 2.410 10 0 CEAEMP C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)[NH2+]C1CCOCC1 ZINC000062767720 518388049 /nfs/dbraw/zinc/38/80/49/518388049.db2.gz LZMPPGQORBDFNA-ZBFHGGJFSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)(C)CCN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049254418 518649494 /nfs/dbraw/zinc/64/94/94/518649494.db2.gz MHRCLSRZAKCBIF-UHFFFAOYSA-N 2 1 255.450 2.169 10 0 CEAEMP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000052477738 519721548 /nfs/dbraw/zinc/72/15/48/519721548.db2.gz BISLSODCKXBBLD-AWEZNQCLSA-N 2 1 255.450 2.179 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)CCc2ccncc2)O1 ZINC000052483152 519724053 /nfs/dbraw/zinc/72/40/53/519724053.db2.gz BMFHVEZWPGTORS-DLBZAZTESA-N 2 1 291.439 2.102 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)O1 ZINC000052479527 519725206 /nfs/dbraw/zinc/72/52/06/519725206.db2.gz BQKIOLREAFRCPU-CVEARBPZSA-N 2 1 277.412 2.059 10 0 CEAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@H+]1CC ZINC000054603228 519911015 /nfs/dbraw/zinc/91/10/15/519911015.db2.gz DLOLZIKZIIUBCB-UYTSQGDYSA-N 2 1 265.445 2.076 10 0 CEAEMP CCC[NH2+]CCCCCN1CC[NH+](C(C)C)CC1 ZINC000052480103 519911695 /nfs/dbraw/zinc/91/16/95/519911695.db2.gz WQMMTZAXZSYYQO-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC000052573522 519920318 /nfs/dbraw/zinc/92/03/18/519920318.db2.gz VHCXBAURUFDMKJ-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCC[NH2+]C[C@H](c1ccccc1)N1CCC[N@@H+](C)CC1 ZINC000052424432 519935129 /nfs/dbraw/zinc/93/51/29/519935129.db2.gz JYCKFDKOHGWILC-QGZVFWFLSA-N 2 1 275.440 2.365 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)Cc2ccncc2)O1 ZINC000052515071 519950990 /nfs/dbraw/zinc/95/09/90/519950990.db2.gz ZZASOWSJBWCSAO-HOTGVXAUSA-N 2 1 277.412 2.061 10 0 CEAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)[C@@H](C)COC ZINC000052511564 519972396 /nfs/dbraw/zinc/97/23/96/519972396.db2.gz AUKNKZPYUZQWNZ-LBPRGKRZSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@@H]2CC)c1 ZINC000052481412 520004149 /nfs/dbraw/zinc/00/41/49/520004149.db2.gz YPUXHGDMWQYARU-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCOC[C@@H]2CC)c1 ZINC000052481412 520004156 /nfs/dbraw/zinc/00/41/56/520004156.db2.gz YPUXHGDMWQYARU-INIZCTEOSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]Cc1cn(CC[N@H+]2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000052482554 520012509 /nfs/dbraw/zinc/01/25/09/520012509.db2.gz STGHTZZWOUBURA-ZBFHGGJFSA-N 2 1 291.443 2.042 10 0 CEAEMP CCC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643202 520112054 /nfs/dbraw/zinc/11/20/54/520112054.db2.gz QLZMMVAWAANBQI-CZUORRHYSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+](CC)CCOC ZINC000053875771 520123086 /nfs/dbraw/zinc/12/30/86/520123086.db2.gz NYWYIRNQQYNPBQ-RRFJBIMHSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[NH+]1CCN(C(C)C)CC1 ZINC000045600356 520172112 /nfs/dbraw/zinc/17/21/12/520172112.db2.gz JFMYNYMWMMFEIE-OAHLLOKOSA-N 2 1 255.450 2.181 10 0 CEAEMP CC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000068645368 520236786 /nfs/dbraw/zinc/23/67/86/520236786.db2.gz ZBOYJLLGNLJYSA-GDBMZVCRSA-N 2 1 295.471 2.275 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+](C)CC1CCCCC1)C(N)=O ZINC000068638360 520237705 /nfs/dbraw/zinc/23/77/05/520237705.db2.gz HRBHQGHYJGXIBA-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)CC1CCCCC1)C(N)=O ZINC000068638360 520237714 /nfs/dbraw/zinc/23/77/14/520237714.db2.gz HRBHQGHYJGXIBA-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@H+](Cc1cccs1)C1CC1 ZINC000062739723 520518164 /nfs/dbraw/zinc/51/81/64/520518164.db2.gz JFFSHMXORXTPIB-GFCCVEGCSA-N 2 1 254.399 2.076 10 0 CEAEMP CCO[C@H](C[NH3+])C[N@@H+](Cc1cccs1)C1CC1 ZINC000062739723 520518167 /nfs/dbraw/zinc/51/81/67/520518167.db2.gz JFFSHMXORXTPIB-GFCCVEGCSA-N 2 1 254.399 2.076 10 0 CEAEMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000049556612 520736855 /nfs/dbraw/zinc/73/68/55/520736855.db2.gz KKAVVAVQPPQTQH-GDBMZVCRSA-N 2 1 264.413 2.348 10 0 CEAEMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000049182922 520737669 /nfs/dbraw/zinc/73/76/69/520737669.db2.gz TUYOIMVSOPTYKJ-CHWSQXEVSA-N 2 1 270.442 2.410 10 0 CEAEMP CCCCOCC[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000049261709 520759387 /nfs/dbraw/zinc/75/93/87/520759387.db2.gz QHQIGONXSSIMGV-UHFFFAOYSA-N 2 1 250.386 2.394 10 0 CEAEMP CCC1(C)CC[NH+]([C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000068645269 521678542 /nfs/dbraw/zinc/67/85/42/521678542.db2.gz LPJGSSNGDKEBLU-SUMWQHHRSA-N 2 1 295.471 2.273 10 0 CEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@@](C)(C3CC3)C2)c1C ZINC000068694012 521812328 /nfs/dbraw/zinc/81/23/28/521812328.db2.gz DKHCYMGUOBXWFA-QGZVFWFLSA-N 2 1 289.423 2.281 10 0 CEAEMP CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000061654551 521841292 /nfs/dbraw/zinc/84/12/92/521841292.db2.gz BDAVQDRLIUTLPH-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000061654551 521841298 /nfs/dbraw/zinc/84/12/98/521841298.db2.gz BDAVQDRLIUTLPH-SFHVURJKSA-N 2 1 287.451 2.465 10 0 CEAEMP CN(C)C[C@H]1CCC[N@@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000061644712 521872117 /nfs/dbraw/zinc/87/21/17/521872117.db2.gz ZTATYVNBMAKGMM-CABCVRRESA-N 2 1 274.412 2.080 10 0 CEAEMP CN(C)C[C@H]1CCC[N@H+]1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000061644712 521872126 /nfs/dbraw/zinc/87/21/26/521872126.db2.gz ZTATYVNBMAKGMM-CABCVRRESA-N 2 1 274.412 2.080 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182322 521968610 /nfs/dbraw/zinc/96/86/10/521968610.db2.gz JYPUZGLOXHOEPI-ZDUSSCGKSA-N 2 1 256.434 2.369 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](Cc2ccco2)C2CC2)O1 ZINC000052370907 522059977 /nfs/dbraw/zinc/05/99/77/522059977.db2.gz AEWQJRDHWARRFF-DZGCQCFKSA-N 2 1 264.369 2.011 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424732 522097009 /nfs/dbraw/zinc/09/70/09/522097009.db2.gz JLABSJFEFNPURD-HZPDHXFCSA-N 2 1 262.397 2.194 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)oc1C ZINC000052573095 522107300 /nfs/dbraw/zinc/10/73/00/522107300.db2.gz MWJMBZHZVRAMMU-JKSUJKDBSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)oc1C ZINC000052573095 522107312 /nfs/dbraw/zinc/10/73/12/522107312.db2.gz MWJMBZHZVRAMMU-JKSUJKDBSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573225 522107442 /nfs/dbraw/zinc/10/74/42/522107442.db2.gz AAPKNQJPLMVALH-JKSUJKDBSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573225 522107449 /nfs/dbraw/zinc/10/74/49/522107449.db2.gz AAPKNQJPLMVALH-JKSUJKDBSA-N 2 1 278.396 2.451 10 0 CEAEMP CC[C@H](C[NH2+]C)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702405 522191129 /nfs/dbraw/zinc/19/11/29/522191129.db2.gz FLTNIKMIJKXCOU-CVEARBPZSA-N 2 1 262.397 2.276 10 0 CEAEMP CC[C@H]1CCC[N@@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052181846 523089582 /nfs/dbraw/zinc/08/95/82/523089582.db2.gz DHSWTLPKJHWXDD-AWEZNQCLSA-N 2 1 254.418 2.125 10 0 CEAEMP COCCC[N@@H+](CCOC)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052543272 523255941 /nfs/dbraw/zinc/25/59/41/523255941.db2.gz JNABXXBIRPXRPV-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP CC[C@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)CC[N@H+]1C ZINC000069182951 523308484 /nfs/dbraw/zinc/30/84/84/523308484.db2.gz QCHNPXYVABSUQP-NSHDSACASA-N 2 1 280.441 2.010 10 0 CEAEMP Cn1cc(C[N@@H+](C)Cc2ccccc2C[NH2+]C2CC2)cn1 ZINC000052570448 523516047 /nfs/dbraw/zinc/51/60/47/523516047.db2.gz RGINTXMTJOCJKX-UHFFFAOYSA-N 2 1 284.407 2.304 10 0 CEAEMP COCC[N@@H+](C)CCn1c(C)cc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000061380803 523615372 /nfs/dbraw/zinc/61/53/72/523615372.db2.gz LNASFFXWAGTSLT-OAHLLOKOSA-N 2 1 293.455 2.347 10 0 CEAEMP C[N@@H+](Cc1occc1C[NH2+]C1CC1)[C@@H]1CCSC1 ZINC000052453171 523617138 /nfs/dbraw/zinc/61/71/38/523617138.db2.gz PHCDOUFUMAWBLA-CYBMUJFWSA-N 2 1 266.410 2.469 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052572889 523619282 /nfs/dbraw/zinc/61/92/82/523619282.db2.gz YNQRIOAKAXRJQP-UHFFFAOYSA-N 2 1 254.374 2.103 10 0 CEAEMP COCC[N@@H+](C)CCn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000061380812 523620424 /nfs/dbraw/zinc/62/04/24/523620424.db2.gz KERRCHYEYKVBMN-CQSZACIVSA-N 2 1 279.428 2.039 10 0 CEAEMP COCC[N@H+]([C@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545287 523781658 /nfs/dbraw/zinc/78/16/58/523781658.db2.gz FDNFRTSKFOKIFJ-KGLIPLIRSA-N 2 1 256.434 2.367 10 0 CEAEMP COCC[N@@H+]([C@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545287 523781660 /nfs/dbraw/zinc/78/16/60/523781660.db2.gz FDNFRTSKFOKIFJ-KGLIPLIRSA-N 2 1 256.434 2.367 10 0 CEAEMP C[N@H+]1CCCN(CC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000049591400 523806948 /nfs/dbraw/zinc/80/69/48/523806948.db2.gz QFEMCCGTGVCUMA-UHFFFAOYSA-N 2 1 287.860 2.129 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCCC[NH2+]CC(C)C)CC1 ZINC000055073659 523952846 /nfs/dbraw/zinc/95/28/46/523952846.db2.gz LKJBBJRLJHYQGL-INIZCTEOSA-N 2 1 269.477 2.428 10 0 CEAEMP CC[C@H](C)N1CC[NH+](CCCC[NH2+]C(C)C)CC1 ZINC000055074541 523952895 /nfs/dbraw/zinc/95/28/95/523952895.db2.gz AAGWRBFAWWQXQQ-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125339 523961856 /nfs/dbraw/zinc/96/18/56/523961856.db2.gz QFGUPHWJKBNLEC-ZDUSSCGKSA-N 2 1 255.365 2.276 10 0 CEAEMP C[C@@H]1CCC[C@](C[NH2+]CCCCCO)([NH+](C)C)C1 ZINC000051021032 524430410 /nfs/dbraw/zinc/43/04/10/524430410.db2.gz WCTWMJJYHABZQK-CABCVRRESA-N 2 1 256.434 2.249 10 0 CEAEMP Cc1cc(C[N@@H+](C)C[C@H]2CCCCO2)oc1C[NH3+] ZINC000052507444 524661043 /nfs/dbraw/zinc/66/10/43/524661043.db2.gz VEACBEWGHSFGAN-GFCCVEGCSA-N 2 1 252.358 2.048 10 0 CEAEMP C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052476047 525126616 /nfs/dbraw/zinc/12/66/16/525126616.db2.gz ATYGUMCMUUXVBH-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052476047 525126621 /nfs/dbraw/zinc/12/66/21/525126621.db2.gz ATYGUMCMUUXVBH-CYBMUJFWSA-N 2 1 260.381 2.159 10 0 CEAEMP C[C@](C[NH3+])(CN1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000062941987 525137487 /nfs/dbraw/zinc/13/74/87/525137487.db2.gz QPGXKDOKJXVCNQ-MSOLQXFVSA-N 2 1 287.451 2.073 10 0 CEAEMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000151315185 526210105 /nfs/dbraw/zinc/21/01/05/526210105.db2.gz QYKFFWJHFQTJSS-FUHWJXTLSA-N 2 1 288.435 2.419 10 0 CEAEMP [NH3+]C1CCC(CCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000055140959 527138892 /nfs/dbraw/zinc/13/88/92/527138892.db2.gz DAMAYDBCBDDECI-FJBKBRRZSA-N 2 1 293.455 2.027 10 0 CEAEMP [NH3+]C[C@H](CCc1ccccc1)[N@@H+]1CCCSCC1 ZINC000061624844 527225311 /nfs/dbraw/zinc/22/53/11/527225311.db2.gz IPSNPJRIYJUVFA-HNNXBMFYSA-N 2 1 264.438 2.385 10 0 CEAEMP [NH3+]C[C@H](CCc1ccccc1)[N@H+]1CCCSCC1 ZINC000061624844 527225317 /nfs/dbraw/zinc/22/53/17/527225317.db2.gz IPSNPJRIYJUVFA-HNNXBMFYSA-N 2 1 264.438 2.385 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)on1 ZINC000052373099 527246793 /nfs/dbraw/zinc/24/67/93/527246793.db2.gz XRZRQWPOZODDFK-ZDUSSCGKSA-N 2 1 257.337 2.123 10 0 CEAEMP NNc1[nH+]cccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052718527 527288162 /nfs/dbraw/zinc/28/81/62/527288162.db2.gz VMMHWMZFUNNAGY-QWHCGFSZSA-N 2 1 260.385 2.379 10 0 CEAEMP NNc1[nH+]cccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052718684 527289011 /nfs/dbraw/zinc/28/90/11/527289011.db2.gz LSBKQLNSWSWEIX-CQSZACIVSA-N 2 1 268.364 2.357 10 0 CEAEMP [NH3+][C@H]1CCCCC[C@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050515509 527395388 /nfs/dbraw/zinc/39/53/88/527395388.db2.gz MKIWOTPOVHKDLV-JKSUJKDBSA-N 2 1 262.397 2.141 10 0 CEAEMP [NH3+][C@H]1CCCCC[C@H]1[N@@H+](CCO)Cc1ccccc1 ZINC000050515509 527395395 /nfs/dbraw/zinc/39/53/95/527395395.db2.gz MKIWOTPOVHKDLV-JKSUJKDBSA-N 2 1 262.397 2.141 10 0 CEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CCCCC1)CO2 ZINC000757147874 574510538 /nfs/dbraw/zinc/51/05/38/574510538.db2.gz MSMAYYZHYCDKDG-OAHLLOKOSA-N 2 1 252.402 2.369 10 0 CEAEMP Cn1cc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])cn1 ZINC000311107978 627367062 /nfs/dbraw/zinc/36/70/62/627367062.db2.gz RCNPMJBINNXSMO-AWEZNQCLSA-N 2 1 250.390 2.076 10 0 CEAEMP Fc1cccnc1O[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261955053 629389498 /nfs/dbraw/zinc/38/94/98/629389498.db2.gz OOIIWUSURSYMRW-KBPBESRZSA-N 2 1 293.386 2.064 10 0 CEAEMP Fc1cccnc1O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261955053 629389501 /nfs/dbraw/zinc/38/95/01/629389501.db2.gz OOIIWUSURSYMRW-KBPBESRZSA-N 2 1 293.386 2.064 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCC[NH2+]CC1 ZINC000231458124 639854695 /nfs/dbraw/zinc/85/46/95/639854695.db2.gz JQFIEWSQWLOJKI-LBPRGKRZSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCC[NH2+]CC1 ZINC000231458124 639854700 /nfs/dbraw/zinc/85/47/00/639854700.db2.gz JQFIEWSQWLOJKI-LBPRGKRZSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@H+](Cc1ccnc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669044 639870461 /nfs/dbraw/zinc/87/04/61/639870461.db2.gz LZNQVTVHYHJMMQ-LBPRGKRZSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1ccnc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669044 639870465 /nfs/dbraw/zinc/87/04/65/639870465.db2.gz LZNQVTVHYHJMMQ-LBPRGKRZSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@H+](Cc1cccc(Cl)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231670586 639871995 /nfs/dbraw/zinc/87/19/95/639871995.db2.gz UNCSTWPHXCZZOM-GFCCVEGCSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1cccc(Cl)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231670586 639871998 /nfs/dbraw/zinc/87/19/98/639871998.db2.gz UNCSTWPHXCZZOM-GFCCVEGCSA-N 2 1 253.777 2.309 10 0 CEAEMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000173913250 639885750 /nfs/dbraw/zinc/88/57/50/639885750.db2.gz NWQIYEZJUFNBKU-RDJZCZTQSA-N 2 1 276.424 2.168 10 0 CEAEMP c1coc([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000133566802 652665127 /nfs/dbraw/zinc/66/51/27/652665127.db2.gz NPRMFHVLQUQJMT-HUUCEWRRSA-N 2 1 277.412 2.148 10 0 CEAEMP C[C@H]([NH3+])C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000034437332 361790234 /nfs/dbraw/zinc/79/02/34/361790234.db2.gz WVRHAAJMBVPRQT-HEHGZKQESA-N 2 1 262.397 2.339 10 0 CEAEMP C[C@H]([NH3+])C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000034437332 361790242 /nfs/dbraw/zinc/79/02/42/361790242.db2.gz WVRHAAJMBVPRQT-HEHGZKQESA-N 2 1 262.397 2.339 10 0 CEAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261595554 539185443 /nfs/dbraw/zinc/18/54/43/539185443.db2.gz OGWXFPJXXIFMDJ-SOUVJXGZSA-N 2 1 260.381 2.173 10 0 CEAEMP CCN(c1[nH+]cccc1NC(C)C)C1CC[NH2+]CC1 ZINC000038978595 343434800 /nfs/dbraw/zinc/43/48/00/343434800.db2.gz XUQIBGFOGXZMGK-UHFFFAOYSA-N 2 1 262.401 2.480 10 0 CEAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000142162270 344402573 /nfs/dbraw/zinc/40/25/73/344402573.db2.gz ZNPWFBUZGMDYTB-WMLDXEAASA-N 2 1 273.424 2.376 10 0 CEAEMP C[C@H]([NH3+])c1ccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000142162270 344402576 /nfs/dbraw/zinc/40/25/76/344402576.db2.gz ZNPWFBUZGMDYTB-WMLDXEAASA-N 2 1 273.424 2.376 10 0 CEAEMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@](C)(O)c1ccccc1 ZINC000328628024 344756743 /nfs/dbraw/zinc/75/67/43/344756743.db2.gz GUKVZQXAUGKBDP-YJBOKZPZSA-N 2 1 299.418 2.285 10 0 CEAEMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@](C)(O)c1ccccc1 ZINC000328628024 344756746 /nfs/dbraw/zinc/75/67/46/344756746.db2.gz GUKVZQXAUGKBDP-YJBOKZPZSA-N 2 1 299.418 2.285 10 0 CEAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000399069059 344857256 /nfs/dbraw/zinc/85/72/56/344857256.db2.gz CYPZEQNZPXAAFX-QGZVFWFLSA-N 2 1 274.408 2.110 10 0 CEAEMP CCC(CC)[N@@H+](CCCC[C@](C)(O)C[NH3+])CCOC ZINC000085301535 179010506 /nfs/dbraw/zinc/01/05/06/179010506.db2.gz NKWZCLVMXKAIHA-HNNXBMFYSA-N 2 1 274.449 2.003 10 0 CEAEMP [NH3+]C[C@](O)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000085303996 179011195 /nfs/dbraw/zinc/01/11/95/179011195.db2.gz SPIWLXOGOPJPBY-INIZCTEOSA-N 2 1 262.397 2.099 10 0 CEAEMP CC(C)(C)NC(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403818 179052886 /nfs/dbraw/zinc/05/28/86/179052886.db2.gz RHTVLDDARLUPCA-OAHLLOKOSA-N 2 1 295.471 2.145 10 0 CEAEMP CC[C@@H]1CN(CCn2cc[nH+]c2C)[C@@](C)(CC)C[NH2+]1 ZINC000085474481 179078424 /nfs/dbraw/zinc/07/84/24/179078424.db2.gz PZAMFHXWJALXEM-CABCVRRESA-N 2 1 264.417 2.044 10 0 CEAEMP COC[C@H](C)[N@@H+](C)Cc1ccoc1C[NH2+]CC(C)C ZINC000052511963 522595158 /nfs/dbraw/zinc/59/51/58/522595158.db2.gz NBJWDQDSDUXTPK-ZDUSSCGKSA-N 2 1 268.401 2.492 10 0 CEAEMP C[N@@H+](CCn1c2c(nc1C1CC1)C[NH2+]CC2)C1CCCC1 ZINC000085571686 179096963 /nfs/dbraw/zinc/09/69/63/179096963.db2.gz YHFWVWDWWHVAGC-UHFFFAOYSA-N 2 1 288.439 2.281 10 0 CEAEMP CC[N@@H+](C)CCn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085606582 179100166 /nfs/dbraw/zinc/10/01/66/179100166.db2.gz ITYRGIOUZMKYAV-UHFFFAOYSA-N 2 1 276.428 2.138 10 0 CEAEMP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1CCCn1ccnc1 ZINC000085624045 179107378 /nfs/dbraw/zinc/10/73/78/179107378.db2.gz JQGYMJGSTJVUIK-LSDHHAIUSA-N 2 1 278.444 2.372 10 0 CEAEMP CCC1(CC)C[N@H+](Cc2cnn(C)c2)[C@H](C)CC[NH2+]1 ZINC000085628200 179107417 /nfs/dbraw/zinc/10/74/17/179107417.db2.gz AFLIRSWIDGLHEK-CYBMUJFWSA-N 2 1 264.417 2.163 10 0 CEAEMP CCC1(CC)C[N@@H+](Cc2cnn(C)c2)[C@H](C)CC[NH2+]1 ZINC000085628200 179107418 /nfs/dbraw/zinc/10/74/18/179107418.db2.gz AFLIRSWIDGLHEK-CYBMUJFWSA-N 2 1 264.417 2.163 10 0 CEAEMP FC(F)(F)COCCC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085616408 179104272 /nfs/dbraw/zinc/10/42/72/179104272.db2.gz OLNUUFZNRWKUGB-GFCCVEGCSA-N 2 1 280.334 2.029 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2cccnc21 ZINC000085622227 179105298 /nfs/dbraw/zinc/10/52/98/179105298.db2.gz OSHZUEAFEVVTIC-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2cccnc21 ZINC000085622227 179105299 /nfs/dbraw/zinc/10/52/99/179105299.db2.gz OSHZUEAFEVVTIC-CYBMUJFWSA-N 2 1 255.365 2.419 10 0 CEAEMP CC[NH+]1CCC(C[N@H+]2CCNC(CC)(CC)C2)CC1 ZINC000086145722 179238500 /nfs/dbraw/zinc/23/85/00/179238500.db2.gz ONKZCGCIRRBCGD-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[NH+]1CCC(CN2CC[NH2+]C(CC)(CC)C2)CC1 ZINC000086145722 179238502 /nfs/dbraw/zinc/23/85/02/179238502.db2.gz ONKZCGCIRRBCGD-UHFFFAOYSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086172545 179244015 /nfs/dbraw/zinc/24/40/15/179244015.db2.gz OOGRVYDUIZSAOC-GVDBMIGSSA-N 2 1 281.488 2.425 10 0 CEAEMP C[C@@H]1CN([C@@H]2CC[N@H+](C3CC3)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173831 179244088 /nfs/dbraw/zinc/24/40/88/179244088.db2.gz NAUXHTDBOATSHJ-OLMNPRSZSA-N 2 1 285.435 2.258 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086173735 179244373 /nfs/dbraw/zinc/24/43/73/179244373.db2.gz SNJHGDNDPGEULX-OWCLPIDISA-N 2 1 267.461 2.179 10 0 CEAEMP CC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)[C@H](C(C)C)CN1 ZINC000086259171 179258081 /nfs/dbraw/zinc/25/80/81/179258081.db2.gz ARQZWERXQXIYTA-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1CN(CC2CC[NH+](CC)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086259171 179258082 /nfs/dbraw/zinc/25/80/82/179258082.db2.gz ARQZWERXQXIYTA-SJORKVTESA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259301 179258703 /nfs/dbraw/zinc/25/87/03/179258703.db2.gz CZUCADLXLOOXHZ-IKGGRYGDSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086259664 179259237 /nfs/dbraw/zinc/25/92/37/179259237.db2.gz ZSWSZPBMDXOXSA-HLLBOEOZSA-N 2 1 279.472 2.322 10 0 CEAEMP CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261054 179260507 /nfs/dbraw/zinc/26/05/07/179260507.db2.gz WLZSXEMPGKEGBB-GJZGRUSLSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261054 179260509 /nfs/dbraw/zinc/26/05/09/179260509.db2.gz WLZSXEMPGKEGBB-GJZGRUSLSA-N 2 1 269.477 2.427 10 0 CEAEMP C1CCC2(CC1)C[N@H+](C1CCOCC1)CCC[NH2+]2 ZINC000086287262 179264369 /nfs/dbraw/zinc/26/43/69/179264369.db2.gz MTQKAKJZCHEURL-UHFFFAOYSA-N 2 1 252.402 2.164 10 0 CEAEMP Cc1csc(CC[N@@H+]2CCC[NH2+][C@H](C(C)C)C2)n1 ZINC000086296800 179267339 /nfs/dbraw/zinc/26/73/39/179267339.db2.gz PMZGGFHDMVBDHP-ZDUSSCGKSA-N 2 1 267.442 2.314 10 0 CEAEMP Cc1csc(CC[N@H+]2CCC[NH2+][C@H](C(C)C)C2)n1 ZINC000086296800 179267342 /nfs/dbraw/zinc/26/73/42/179267342.db2.gz PMZGGFHDMVBDHP-ZDUSSCGKSA-N 2 1 267.442 2.314 10 0 CEAEMP C[N@H+](Cc1cnc(Cl)s1)CC1CC[NH2+]CC1 ZINC000086778017 179330372 /nfs/dbraw/zinc/33/03/72/179330372.db2.gz NKDDTZYEWLKRAZ-UHFFFAOYSA-N 2 1 259.806 2.228 10 0 CEAEMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818561 179346697 /nfs/dbraw/zinc/34/66/97/179346697.db2.gz JMAAWMPIOYBSJO-JSGCOSHPSA-N 2 1 290.411 2.312 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847124 179356078 /nfs/dbraw/zinc/35/60/78/179356078.db2.gz RJFGHBCDVSBMJR-QGZVFWFLSA-N 2 1 290.455 2.105 10 0 CEAEMP CCCCCN(C)[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 ZINC000086846889 179356103 /nfs/dbraw/zinc/35/61/03/179356103.db2.gz QNRGLFXFMXGFNB-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccc2F)CC1 ZINC000086847489 179356113 /nfs/dbraw/zinc/35/61/13/179356113.db2.gz DRBVHCNJMJXAGM-KRWDZBQOSA-N 2 1 293.430 2.461 10 0 CEAEMP CC[N@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000086846989 179356418 /nfs/dbraw/zinc/35/64/18/179356418.db2.gz DPNFIUNAXWBQDT-OAHLLOKOSA-N 2 1 281.469 2.383 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000086848435 179356629 /nfs/dbraw/zinc/35/66/29/179356629.db2.gz WMVVGHPEPBBINU-KRWDZBQOSA-N 2 1 273.424 2.206 10 0 CEAEMP CC(C)[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847588 179356895 /nfs/dbraw/zinc/35/68/95/179356895.db2.gz DSQZPXDGQCHBMV-INIZCTEOSA-N 2 1 279.428 2.303 10 0 CEAEMP CC[N@H+]1CCC[C@H](NCCC[NH+]2CCCCC2)CC1 ZINC000086836397 179351299 /nfs/dbraw/zinc/35/12/99/179351299.db2.gz CBSWKZKVRMUTBL-INIZCTEOSA-N 2 1 267.461 2.326 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000086836397 179351301 /nfs/dbraw/zinc/35/13/01/179351301.db2.gz CBSWKZKVRMUTBL-INIZCTEOSA-N 3 1 267.461 2.326 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000086836397 179351304 /nfs/dbraw/zinc/35/13/04/179351304.db2.gz CBSWKZKVRMUTBL-INIZCTEOSA-N 3 1 267.461 2.326 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2c[nH]nc2C)CC1 ZINC000086841965 179353066 /nfs/dbraw/zinc/35/30/66/179353066.db2.gz RGTYJTMMBSNQFB-AWEZNQCLSA-N 2 1 250.390 2.072 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2c[nH]nc2C)CC1 ZINC000086841965 179353068 /nfs/dbraw/zinc/35/30/68/179353068.db2.gz RGTYJTMMBSNQFB-AWEZNQCLSA-N 2 1 250.390 2.072 10 0 CEAEMP CC(C)[C@@H](CN(C)C)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842881 179353573 /nfs/dbraw/zinc/35/35/73/179353573.db2.gz BZFFZXPRRGSJGU-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H](C[NH+](C)C)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842881 179353575 /nfs/dbraw/zinc/35/35/75/179353575.db2.gz BZFFZXPRRGSJGU-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC(C)[C@@H](C[NH+](C)C)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842881 179353576 /nfs/dbraw/zinc/35/35/76/179353576.db2.gz BZFFZXPRRGSJGU-JKSUJKDBSA-N 2 1 269.477 2.425 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840645 179353872 /nfs/dbraw/zinc/35/38/72/179353872.db2.gz GSFGVPVUUNVOOJ-JSGCOSHPSA-N 2 1 264.417 2.254 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840645 179353876 /nfs/dbraw/zinc/35/38/76/179353876.db2.gz GSFGVPVUUNVOOJ-JSGCOSHPSA-N 2 1 264.417 2.254 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846191 179354650 /nfs/dbraw/zinc/35/46/50/179354650.db2.gz KSTHQYMZOWPVMX-HOTGVXAUSA-N 2 1 267.461 2.454 10 0 CEAEMP CCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](CCC)CC1 ZINC000086846796 179355653 /nfs/dbraw/zinc/35/56/53/179355653.db2.gz WJRSFUQDXWQYMC-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CC[N@H+]1CCC[C@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851237 179358948 /nfs/dbraw/zinc/35/89/48/179358948.db2.gz LKRGQEPDBKLIRV-INIZCTEOSA-N 3 1 267.461 2.182 10 0 CEAEMP CCN1CCC[C@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851237 179358950 /nfs/dbraw/zinc/35/89/50/179358950.db2.gz LKRGQEPDBKLIRV-INIZCTEOSA-N 2 1 267.461 2.182 10 0 CEAEMP COCC[NH+](CCOC)[C@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086911326 179367023 /nfs/dbraw/zinc/36/70/23/179367023.db2.gz MTTZKAKWQYOGBR-MRXNPFEDSA-N 2 1 286.460 2.269 10 0 CEAEMP CC1CCC(O)(C[NH2+]CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000087062331 179389622 /nfs/dbraw/zinc/38/96/22/179389622.db2.gz FSYIHGQKUVACIW-HWOWSKLDSA-N 2 1 268.445 2.392 10 0 CEAEMP C[C@H]([NH2+]Cc1ccccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000400485051 233179474 /nfs/dbraw/zinc/17/94/74/233179474.db2.gz XCVLLRCCJAJPMG-WDEREUQCSA-N 2 1 270.323 2.376 10 0 CEAEMP C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878929 180052915 /nfs/dbraw/zinc/05/29/15/180052915.db2.gz DQMOFVCAEGQLGI-WWGRRREGSA-N 2 1 292.398 2.449 10 0 CEAEMP c1ccc(C2(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]CC2)cc1 ZINC000090908697 180062130 /nfs/dbraw/zinc/06/21/30/180062130.db2.gz STJFLEFIXXYCCM-CALCHBBNSA-N 2 1 286.419 2.171 10 0 CEAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019756 180088016 /nfs/dbraw/zinc/08/80/16/180088016.db2.gz AIXBXWJPZJSOMR-NWDGAFQWSA-N 2 1 258.369 2.122 10 0 CEAEMP [NH3+]CC1([C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000669377312 539760127 /nfs/dbraw/zinc/76/01/27/539760127.db2.gz MFRCVYPPRCNEIK-QGZVFWFLSA-N 2 1 274.408 2.143 10 0 CEAEMP CCC1CCC([N@@H+](C)CC[C@H]2C[NH2+]CCO2)CC1 ZINC000091313877 180132501 /nfs/dbraw/zinc/13/25/01/180132501.db2.gz BBEXGRNVPGBBMP-NRXISQOPSA-N 2 1 254.418 2.266 10 0 CEAEMP C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)[C@@H]1CSCC[NH2+]1 ZINC000091292358 180123531 /nfs/dbraw/zinc/12/35/31/180123531.db2.gz ZJVQHYJTEPZKIQ-MGPQQGTHSA-N 2 1 254.443 2.346 10 0 CEAEMP C(C[N@H+]1CCC[C@H]2CCC[C@H]21)[C@@H]1CSCC[NH2+]1 ZINC000091292358 180123532 /nfs/dbraw/zinc/12/35/32/180123532.db2.gz ZJVQHYJTEPZKIQ-MGPQQGTHSA-N 2 1 254.443 2.346 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)CC2CC(O)C2)CCCC1 ZINC000091489602 180169250 /nfs/dbraw/zinc/16/92/50/180169250.db2.gz KONCBPJKLABYPU-UHFFFAOYSA-N 2 1 268.445 2.248 10 0 CEAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000091405173 180147265 /nfs/dbraw/zinc/14/72/65/180147265.db2.gz ZJMUUKNIVNLMSG-KBPBESRZSA-N 2 1 256.434 2.369 10 0 CEAEMP CC[C@@](C)([C@H](Cc1nn(C)c2ccccc12)[NH2+]C)[NH+](C)C ZINC000091570370 180195469 /nfs/dbraw/zinc/19/54/69/180195469.db2.gz FCBCZCKZAFVKGJ-IRXDYDNUSA-N 2 1 288.439 2.434 10 0 CEAEMP CCC[NH2+][C@H](Cc1ncnn1CCC)[C@@](C)(CC)[NH+](C)C ZINC000091572201 180196348 /nfs/dbraw/zinc/19/63/48/180196348.db2.gz QGLHIAVRJJSVIB-GDBMZVCRSA-N 2 1 295.475 2.329 10 0 CEAEMP CCC[NH2+][C@@H](Cc1cc(CC)nn1C)C(C)(C)[NH+](C)C ZINC000091529492 180180472 /nfs/dbraw/zinc/18/04/72/180180472.db2.gz MJCNHJJIEISIGU-HNNXBMFYSA-N 2 1 280.460 2.233 10 0 CEAEMP CCn1cc(C[C@H]([NH3+])C(CC)(CC)[NH+]2CCCC2)cn1 ZINC000091634803 180210766 /nfs/dbraw/zinc/21/07/66/180210766.db2.gz DVTAIMAFFLFMGG-HNNXBMFYSA-N 2 1 278.444 2.427 10 0 CEAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652615 180217312 /nfs/dbraw/zinc/21/73/12/180217312.db2.gz NTWKJIRFGPJXHY-KBRIMQKVSA-N 2 1 290.455 2.305 10 0 CEAEMP c1ccc(CCC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091666174 180222629 /nfs/dbraw/zinc/22/26/29/180222629.db2.gz KTXSPLHPBLUPEK-IAGOWNOFSA-N 2 1 274.408 2.072 10 0 CEAEMP c1ccc(CCC[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091666174 180222631 /nfs/dbraw/zinc/22/26/31/180222631.db2.gz KTXSPLHPBLUPEK-IAGOWNOFSA-N 2 1 274.408 2.072 10 0 CEAEMP [NH3+][C@H](c1cccc2cnccc21)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720686 180235782 /nfs/dbraw/zinc/23/57/82/180235782.db2.gz RMHSRVXCZRPDHM-XOKHGSTOSA-N 2 1 283.375 2.098 10 0 CEAEMP C[NH2+][C@H](CC1CCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720918 180236570 /nfs/dbraw/zinc/23/65/70/180236570.db2.gz ZHYNHASXTKXQSJ-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP C[NH2+][C@H](CC1CCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720918 180236572 /nfs/dbraw/zinc/23/65/72/180236572.db2.gz ZHYNHASXTKXQSJ-KFWWJZLASA-N 2 1 252.402 2.018 10 0 CEAEMP CCC[NH2+]Cc1csc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000091722562 180240079 /nfs/dbraw/zinc/24/00/79/180240079.db2.gz HKOMTIPUPYBVDA-OLZOCXBDSA-N 2 1 281.425 2.178 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091722495 180240669 /nfs/dbraw/zinc/24/06/69/180240669.db2.gz OCQAPQAATZLVQF-UTUOFQBUSA-N 2 1 281.425 2.349 10 0 CEAEMP CC[NH2+][C@H](C)c1cnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091722495 180240672 /nfs/dbraw/zinc/24/06/72/180240672.db2.gz OCQAPQAATZLVQF-UTUOFQBUSA-N 2 1 281.425 2.349 10 0 CEAEMP CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C1CCC([NH3+])CC1 ZINC000091851022 180272526 /nfs/dbraw/zinc/27/25/26/180272526.db2.gz PDBIEQGSQKBOMJ-UHFFFAOYSA-N 2 1 294.395 2.466 10 0 CEAEMP CC[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C1CCC([NH3+])CC1 ZINC000091850905 180272131 /nfs/dbraw/zinc/27/21/31/180272131.db2.gz SNCCLQLMEKSOPL-IYXRBSQSSA-N 2 1 283.460 2.272 10 0 CEAEMP CC[N@@H+]([C@@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091850089 180272185 /nfs/dbraw/zinc/27/21/85/180272185.db2.gz JNAPDAAJQDLPNG-XGNXJENSSA-N 2 1 250.390 2.073 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000091870491 180277287 /nfs/dbraw/zinc/27/72/87/180277287.db2.gz VVWHXRUEXXUPII-UHFFFAOYSA-N 2 1 293.386 2.227 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@H](C)C(=O)N(CC)CC)CC1 ZINC000091870353 180277496 /nfs/dbraw/zinc/27/74/96/180277496.db2.gz VXXWGPZYEOCUIJ-WLYUNCDWSA-N 2 1 283.460 2.096 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCOC(C)(C)C2)CC1 ZINC000091870957 180277507 /nfs/dbraw/zinc/27/75/07/180277507.db2.gz WVWAPYOSSBPART-RUXDESIVSA-N 2 1 254.418 2.406 10 0 CEAEMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000091996088 180302563 /nfs/dbraw/zinc/30/25/63/180302563.db2.gz OBDSOZFDDJPNSF-AWEZNQCLSA-N 2 1 277.412 2.306 10 0 CEAEMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000091996088 180302565 /nfs/dbraw/zinc/30/25/65/180302565.db2.gz OBDSOZFDDJPNSF-AWEZNQCLSA-N 2 1 277.412 2.306 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000092003457 180304552 /nfs/dbraw/zinc/30/45/52/180304552.db2.gz NWRKHQLHJUNSKE-CVEARBPZSA-N 2 1 288.439 2.253 10 0 CEAEMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000092082096 180319537 /nfs/dbraw/zinc/31/95/37/180319537.db2.gz VSZIKZGBJOKAFQ-BETUJISGSA-N 2 1 275.396 2.062 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2C[C@H](C)[C@H](C)C2)O1 ZINC000092089411 180321816 /nfs/dbraw/zinc/32/18/16/180321816.db2.gz MSWOFCGFFQGESM-XGUBFFRZSA-N 2 1 254.418 2.121 10 0 CEAEMP NC(=[NH2+])CC[N@@H+](C[C@@H]1Cc2ccccc2S1)C1CC1 ZINC000092262311 180354746 /nfs/dbraw/zinc/35/47/46/180354746.db2.gz FNOPTBHPADEDOF-ZDUSSCGKSA-N 2 1 275.421 2.494 10 0 CEAEMP CC(C)[N@H+](CC[NH3+])C[C@H]1Cc2ccccc2S1 ZINC000092262961 180354924 /nfs/dbraw/zinc/35/49/24/180354924.db2.gz CUIUTMXWVRNSFO-CYBMUJFWSA-N 2 1 250.411 2.373 10 0 CEAEMP CC(C)[N@@H+](CC[NH3+])C[C@H]1Cc2ccccc2S1 ZINC000092262961 180354925 /nfs/dbraw/zinc/35/49/25/180354925.db2.gz CUIUTMXWVRNSFO-CYBMUJFWSA-N 2 1 250.411 2.373 10 0 CEAEMP C[N@@H+](C[C@@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267643 180355958 /nfs/dbraw/zinc/35/59/58/180355958.db2.gz GRSICLNMTXAPBM-AWEZNQCLSA-N 2 1 262.422 2.387 10 0 CEAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092304503 180359963 /nfs/dbraw/zinc/35/99/63/180359963.db2.gz WSRVDVLUPKWQRK-ZIAGYGMSSA-N 2 1 260.381 2.223 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000092329164 180364043 /nfs/dbraw/zinc/36/40/43/180364043.db2.gz HSUJNHRUUBKXNO-GXFFZTMASA-N 2 1 251.374 2.111 10 0 CEAEMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000092329164 180364046 /nfs/dbraw/zinc/36/40/46/180364046.db2.gz HSUJNHRUUBKXNO-GXFFZTMASA-N 2 1 251.374 2.111 10 0 CEAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)Cc1ccnc2ccccc12 ZINC000092348154 180367211 /nfs/dbraw/zinc/36/72/11/180367211.db2.gz ZAQVBFXVYSSLFD-NSHDSACASA-N 2 1 256.353 2.381 10 0 CEAEMP CCOC(=O)C[N@H+](C(C)C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000109685030 186268815 /nfs/dbraw/zinc/26/88/15/186268815.db2.gz YWJIXDDYRZYNPG-ZIAGYGMSSA-N 2 1 270.417 2.168 10 0 CEAEMP CCOC(=O)C[N@@H+](C(C)C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000109685030 186268817 /nfs/dbraw/zinc/26/88/17/186268817.db2.gz YWJIXDDYRZYNPG-ZIAGYGMSSA-N 2 1 270.417 2.168 10 0 CEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CC1CCCC1)C(N)=O ZINC000110840997 186328259 /nfs/dbraw/zinc/32/82/59/186328259.db2.gz FXFZLCUGAWXHFO-INIZCTEOSA-N 2 1 283.460 2.132 10 0 CEAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000110842075 186328914 /nfs/dbraw/zinc/32/89/14/186328914.db2.gz JKAYJEWFUOJDIT-OAHLLOKOSA-N 2 1 254.418 2.125 10 0 CEAEMP CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110943048 186335418 /nfs/dbraw/zinc/33/54/18/186335418.db2.gz HYDSSKMKQVSFLL-HNNXBMFYSA-N 2 1 293.386 2.228 10 0 CEAEMP CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110943048 186335420 /nfs/dbraw/zinc/33/54/20/186335420.db2.gz HYDSSKMKQVSFLL-HNNXBMFYSA-N 2 1 293.386 2.228 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cccc(C)c2C)C[C@@H]1C ZINC000110708816 186315789 /nfs/dbraw/zinc/31/57/89/186315789.db2.gz JFEVRQCILVGLHR-YOEHRIQHSA-N 2 1 275.440 2.329 10 0 CEAEMP Cc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110711573 186316155 /nfs/dbraw/zinc/31/61/55/186316155.db2.gz YOQNYQAMXDABHW-INIZCTEOSA-N 2 1 275.440 2.329 10 0 CEAEMP C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000110711879 186316444 /nfs/dbraw/zinc/31/64/44/186316444.db2.gz VEFYOWMIGCXNSZ-MGPQQGTHSA-N 2 1 291.439 2.429 10 0 CEAEMP CC[NH2+][C@@H](CCN1CC[N@@H+](C)[C@@H](CC)C1)C(C)(C)C ZINC000110746171 186318772 /nfs/dbraw/zinc/31/87/72/186318772.db2.gz BYCDGCBRIYQKML-GJZGRUSLSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H]1CN(CC[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC000110757515 186321054 /nfs/dbraw/zinc/32/10/54/186321054.db2.gz GIFOHONEDZZHHE-AWEZNQCLSA-N 2 1 255.450 2.038 10 0 CEAEMP CCC[NH2+]Cc1cnc(N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110758759 186321619 /nfs/dbraw/zinc/32/16/19/186321619.db2.gz ONBVERSOKSZWLU-UHFFFAOYSA-N 2 1 282.457 2.173 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000110752275 186321809 /nfs/dbraw/zinc/32/18/09/186321809.db2.gz JXRIEAKKFWVBBL-HNNXBMFYSA-N 2 1 275.440 2.321 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110752275 186321811 /nfs/dbraw/zinc/32/18/11/186321811.db2.gz JXRIEAKKFWVBBL-HNNXBMFYSA-N 2 1 275.440 2.321 10 0 CEAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000110752275 186321813 /nfs/dbraw/zinc/32/18/13/186321813.db2.gz JXRIEAKKFWVBBL-HNNXBMFYSA-N 2 1 275.440 2.321 10 0 CEAEMP CC[NH2+]Cc1cccc(OCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000111150347 186361250 /nfs/dbraw/zinc/36/12/50/186361250.db2.gz QYPNZVBXKYGVFS-UHFFFAOYSA-N 3 1 293.455 2.058 10 0 CEAEMP CC[NH2+]Cc1cccc(OCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000111150347 186361252 /nfs/dbraw/zinc/36/12/52/186361252.db2.gz QYPNZVBXKYGVFS-UHFFFAOYSA-N 3 1 293.455 2.058 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000111143929 186358852 /nfs/dbraw/zinc/35/88/52/186358852.db2.gz WAYTWUFZTNEXJI-SJORKVTESA-N 2 1 276.424 2.308 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCc2ccccc2[C@@H]1O ZINC000111143935 186359108 /nfs/dbraw/zinc/35/91/08/186359108.db2.gz WAYTWUFZTNEXJI-IRXDYDNUSA-N 2 1 276.424 2.308 10 0 CEAEMP C[NH+](C)CCC[N@H+](C)CCNc1ccccc1F ZINC000111150985 186360016 /nfs/dbraw/zinc/36/00/16/186360016.db2.gz DGHHJECPLRMPAT-UHFFFAOYSA-N 2 1 253.365 2.121 10 0 CEAEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccccc1F ZINC000111150985 186360018 /nfs/dbraw/zinc/36/00/18/186360018.db2.gz DGHHJECPLRMPAT-UHFFFAOYSA-N 2 1 253.365 2.121 10 0 CEAEMP CC(C)(C)[NH2+]C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000111164417 186364051 /nfs/dbraw/zinc/36/40/51/186364051.db2.gz VFTGSTYFHIXNQP-AWEZNQCLSA-N 2 1 254.418 2.123 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000111171616 186365685 /nfs/dbraw/zinc/36/56/85/186365685.db2.gz OEHWSPYFDGUMME-CQSZACIVSA-N 2 1 256.434 2.371 10 0 CEAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111171613 186365938 /nfs/dbraw/zinc/36/59/38/186365938.db2.gz OEHWSPYFDGUMME-AWEZNQCLSA-N 2 1 256.434 2.371 10 0 CEAEMP CC(C)C[N@@H+](C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111324863 186398540 /nfs/dbraw/zinc/39/85/40/186398540.db2.gz RRDLYQSGPKUUKN-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[N@@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C(C)C ZINC000111324777 186398992 /nfs/dbraw/zinc/39/89/92/186398992.db2.gz QQERPWURCPDVMY-OAHLLOKOSA-N 2 1 254.418 2.266 10 0 CEAEMP C[N@@H+](C[C@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CCOCC1 ZINC000111325768 186399275 /nfs/dbraw/zinc/39/92/75/186399275.db2.gz FOAFQYMRNRCKKK-QGZVFWFLSA-N 2 1 298.471 2.282 10 0 CEAEMP COCC[N@@H+](CC(C)C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326496 186399303 /nfs/dbraw/zinc/39/93/03/186399303.db2.gz SZYBHZYSSLNDHK-QGZVFWFLSA-N 2 1 298.471 2.140 10 0 CEAEMP CO[C@H]1C[N@@H+](CCC(C)(C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630369556 351714646 /nfs/dbraw/zinc/71/46/46/351714646.db2.gz WJHCKBUZBGMYIT-HIFRSBDPSA-N 2 1 254.418 2.251 10 0 CEAEMP Cc1cc[nH+]c(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000630530124 351773991 /nfs/dbraw/zinc/77/39/91/351773991.db2.gz YKGXROBLCQJEMN-QWRGUYRKSA-N 2 1 273.302 2.354 10 0 CEAEMP CCOCC[N@H+]1CCN(c2nc3ccccc3[nH]2)C[C@@H]1C ZINC000134949483 366378261 /nfs/dbraw/zinc/37/82/61/366378261.db2.gz JPUBHTLZAIPOIG-ZDUSSCGKSA-N 2 1 288.395 2.110 10 0 CEAEMP CCOCCN1CCN(c2nc3ccccc3[nH]2)C[C@@H]1C ZINC000134949483 366378265 /nfs/dbraw/zinc/37/82/65/366378265.db2.gz JPUBHTLZAIPOIG-ZDUSSCGKSA-N 2 1 288.395 2.110 10 0 CEAEMP C[N@@H+](Cc1ccc(Br)nc1)C[C@H]1CCC[NH2+]C1 ZINC000095071147 364330933 /nfs/dbraw/zinc/33/09/33/364330933.db2.gz XWTUELHWHSYXHB-NSHDSACASA-N 2 1 298.228 2.276 10 0 CEAEMP C[N@H+](Cc1ccc(Br)nc1)C[C@H]1CCC[NH2+]C1 ZINC000095071147 364330934 /nfs/dbraw/zinc/33/09/34/364330934.db2.gz XWTUELHWHSYXHB-NSHDSACASA-N 2 1 298.228 2.276 10 0 CEAEMP c1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680145311 541371443 /nfs/dbraw/zinc/37/14/43/541371443.db2.gz NUFJRHYRQLGBAE-RCCFBDPRSA-N 2 1 296.418 2.410 10 0 CEAEMP C[C@H]1CN(c2cc[nH+]cc2Br)[C@@H](C)C[NH2+]1 ZINC000163721218 367261450 /nfs/dbraw/zinc/26/14/50/367261450.db2.gz KUONELCCUBNFJO-IUCAKERBSA-N 2 1 270.174 2.031 10 0 CEAEMP C[C@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631842939 367582895 /nfs/dbraw/zinc/58/28/95/367582895.db2.gz HPQOQYZEZWQSMZ-RYUDHWBXSA-N 2 1 268.788 2.245 10 0 CEAEMP C[C@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631842939 367582900 /nfs/dbraw/zinc/58/29/00/367582900.db2.gz HPQOQYZEZWQSMZ-RYUDHWBXSA-N 2 1 268.788 2.245 10 0 CEAEMP C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842622 367583254 /nfs/dbraw/zinc/58/32/54/367583254.db2.gz CTTDDKRSKVHHFW-QWHCGFSZSA-N 2 1 266.360 2.121 10 0 CEAEMP C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631842919 367584350 /nfs/dbraw/zinc/58/43/50/367584350.db2.gz HIZOTWLHYULNID-OCCSQVGLSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631842919 367584356 /nfs/dbraw/zinc/58/43/56/367584356.db2.gz HIZOTWLHYULNID-OCCSQVGLSA-N 2 1 271.364 2.368 10 0 CEAEMP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000343518268 367857798 /nfs/dbraw/zinc/85/77/98/367857798.db2.gz SVCAQIMFSBRXCM-KYEXWDHISA-N 2 1 254.418 2.262 10 0 CEAEMP COC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648738 369388136 /nfs/dbraw/zinc/38/81/36/369388136.db2.gz BSCBMAFMAABVDO-DOTOQJQBSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000188648738 369388138 /nfs/dbraw/zinc/38/81/38/369388138.db2.gz BSCBMAFMAABVDO-DOTOQJQBSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000188648738 369388142 /nfs/dbraw/zinc/38/81/42/369388142.db2.gz BSCBMAFMAABVDO-DOTOQJQBSA-N 2 1 291.439 2.118 10 0 CEAEMP COC[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000188648738 369388145 /nfs/dbraw/zinc/38/81/45/369388145.db2.gz BSCBMAFMAABVDO-DOTOQJQBSA-N 2 1 291.439 2.118 10 0 CEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211869321 370164262 /nfs/dbraw/zinc/16/42/62/370164262.db2.gz LOWGFGQQCHRUFT-KBXCAEBGSA-N 2 1 285.435 2.001 10 0 CEAEMP Cc1nc(C)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000231454807 370479055 /nfs/dbraw/zinc/47/90/55/370479055.db2.gz YCRPWVNNVIGNRV-LBPRGKRZSA-N 2 1 253.415 2.334 10 0 CEAEMP Cc1nc(C)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000231454807 370479061 /nfs/dbraw/zinc/47/90/61/370479061.db2.gz YCRPWVNNVIGNRV-LBPRGKRZSA-N 2 1 253.415 2.334 10 0 CEAEMP C[N@H+](Cc1cncc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231460182 370479466 /nfs/dbraw/zinc/47/94/66/370479466.db2.gz QCUXVPKFRQAMOH-CYBMUJFWSA-N 2 1 298.228 2.418 10 0 CEAEMP C[N@@H+](Cc1cncc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231460182 370479476 /nfs/dbraw/zinc/47/94/76/370479476.db2.gz QCUXVPKFRQAMOH-CYBMUJFWSA-N 2 1 298.228 2.418 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@@H]12 ZINC000261586087 371664500 /nfs/dbraw/zinc/66/45/00/371664500.db2.gz ITGDTTJRZSSGRW-OUCADQQQSA-N 2 1 280.799 2.388 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(F)c3)C[C@H]12 ZINC000261556388 371645195 /nfs/dbraw/zinc/64/51/95/371645195.db2.gz BZTHVLUXVRWRGO-LEWSCRJBSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]12 ZINC000261556388 371645207 /nfs/dbraw/zinc/64/52/07/371645207.db2.gz BZTHVLUXVRWRGO-LEWSCRJBSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]12 ZINC000261584017 371663445 /nfs/dbraw/zinc/66/34/45/371663445.db2.gz SAAKWKVXGUNGCE-SUZMYJTESA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]12 ZINC000261584017 371663451 /nfs/dbraw/zinc/66/34/51/371663451.db2.gz SAAKWKVXGUNGCE-SUZMYJTESA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@H]12 ZINC000261755617 371721656 /nfs/dbraw/zinc/72/16/56/371721656.db2.gz CNBOOZTVMOUECM-GRYCIOLGSA-N 2 1 263.410 2.190 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000261765186 371724241 /nfs/dbraw/zinc/72/42/41/371724241.db2.gz OCTVSOGPCIZWNQ-OWCLPIDISA-N 2 1 267.376 2.404 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000261844831 371747250 /nfs/dbraw/zinc/74/72/50/371747250.db2.gz WBETWCVKQSJNIF-KWCYVHTRSA-N 2 1 282.334 2.457 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]12 ZINC000261848808 371750308 /nfs/dbraw/zinc/75/03/08/371750308.db2.gz WKDPROQFHHPRIO-LERXQTSPSA-N 2 1 290.798 2.157 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]12 ZINC000261848808 371750314 /nfs/dbraw/zinc/75/03/14/371750314.db2.gz WKDPROQFHHPRIO-LERXQTSPSA-N 2 1 290.798 2.157 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261890249 371762972 /nfs/dbraw/zinc/76/29/72/371762972.db2.gz GJIQUGMOZFDPPH-APHBMKBZSA-N 2 1 296.361 2.212 10 0 CEAEMP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261925572 371773284 /nfs/dbraw/zinc/77/32/84/371773284.db2.gz LAMZDDDBZPYYEC-RBSFLKMASA-N 2 1 280.437 2.037 10 0 CEAEMP FC(F)(F)C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262043119 371811340 /nfs/dbraw/zinc/81/13/40/371811340.db2.gz YQEWIFZMLJTUCV-MNOVXSKESA-N 2 1 250.308 2.260 10 0 CEAEMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262274971 371846068 /nfs/dbraw/zinc/84/60/68/371846068.db2.gz SZDWUOMKZLPEHB-CQSZACIVSA-N 2 1 290.411 2.126 10 0 CEAEMP CC[N@@H+](CCO)CCNc1cc(C)[nH+]c2ccccc12 ZINC000302222754 379335511 /nfs/dbraw/zinc/33/55/11/379335511.db2.gz OVSHJVLDNWEWKN-UHFFFAOYSA-N 2 1 273.380 2.269 10 0 CEAEMP CC[N@@H+](CCO)CCNc1cc[nH+]c2c(C)cccc12 ZINC000302227505 379337728 /nfs/dbraw/zinc/33/77/28/379337728.db2.gz UPFVRBQZASYBFH-UHFFFAOYSA-N 2 1 273.380 2.269 10 0 CEAEMP OC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262054050 285283542 /nfs/dbraw/zinc/28/35/42/285283542.db2.gz ZXIQVZMXZQFANF-SFHVURJKSA-N 2 1 288.435 2.056 10 0 CEAEMP Cc1[nH+]cn(CC[C@@H]2CCC[C@]2(CO)[NH2+]C(C)C)c1C ZINC000093618459 184696749 /nfs/dbraw/zinc/69/67/49/184696749.db2.gz DPWPDPUBQJYHFI-JKSUJKDBSA-N 2 1 279.428 2.419 10 0 CEAEMP CCc1[nH+]ccn1CC[C@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093618998 184696846 /nfs/dbraw/zinc/69/68/46/184696846.db2.gz JZAACVQOJLYYKM-CJNGLKHVSA-N 2 1 277.412 2.119 10 0 CEAEMP C[NH2+][C@@H](CN1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)cc1C ZINC000094459658 184804587 /nfs/dbraw/zinc/80/45/87/184804587.db2.gz AGCQZPBZEQBGDL-AEFFLSMTSA-N 2 1 287.451 2.344 10 0 CEAEMP CCC[N@@H+](CC1CC[NH2+]CC1)CC1(O)CCCC1 ZINC000094025444 184751265 /nfs/dbraw/zinc/75/12/65/184751265.db2.gz WRKYJMUERRZHNQ-UHFFFAOYSA-N 2 1 254.418 2.003 10 0 CEAEMP C[C@@H](CCCO)[NH2+][C@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000094942998 184897912 /nfs/dbraw/zinc/89/79/12/184897912.db2.gz RQBRDNZFYNXCFJ-DZGCQCFKSA-N 2 1 256.434 2.425 10 0 CEAEMP CC[N@@H+]1CC[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)cc1OC ZINC000070282435 285382138 /nfs/dbraw/zinc/38/21/38/285382138.db2.gz DTFZTYBGPRXYNP-MLGOLLRUSA-N 2 1 278.396 2.306 10 0 CEAEMP CC[N@H+]1CC[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)cc1OC ZINC000070282435 285382139 /nfs/dbraw/zinc/38/21/39/285382139.db2.gz DTFZTYBGPRXYNP-MLGOLLRUSA-N 2 1 278.396 2.306 10 0 CEAEMP [NH3+][C@@H]1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000093224393 135079874 /nfs/dbraw/zinc/07/98/74/135079874.db2.gz LPNKYLFOKXLETA-ZIAGYGMSSA-N 2 1 277.387 2.218 10 0 CEAEMP CSC1(C[NH3+])CCN(c2cc[nH+]cc2Cl)CC1 ZINC000094272390 135085782 /nfs/dbraw/zinc/08/57/82/135085782.db2.gz HFJXJUCWCXHDPD-UHFFFAOYSA-N 2 1 271.817 2.396 10 0 CEAEMP Cc1cc(C)c(C[NH3+])c(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000094443290 135088470 /nfs/dbraw/zinc/08/84/70/135088470.db2.gz LEFXROYZHMAUCF-GJZGRUSLSA-N 2 1 288.439 2.220 10 0 CEAEMP CC[NH2+]Cc1cccnc1N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094443293 135088902 /nfs/dbraw/zinc/08/89/02/135088902.db2.gz GXUIRCXJSCIMRK-GOEBONIOSA-N 2 1 288.439 2.254 10 0 CEAEMP Cc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000301635528 394463655 /nfs/dbraw/zinc/46/36/55/394463655.db2.gz DXRZOIZSIGBWSC-IRXDYDNUSA-N 2 1 283.375 2.062 10 0 CEAEMP [NH3+]C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000041162085 394499866 /nfs/dbraw/zinc/49/98/66/394499866.db2.gz SQCOIZMHXFZHBA-NSHDSACASA-N 2 1 277.755 2.052 10 0 CEAEMP C[C@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000306778922 394517890 /nfs/dbraw/zinc/51/78/90/394517890.db2.gz SMQPPMIXJOBFIE-XLMAVXFVSA-N 2 1 287.451 2.332 10 0 CEAEMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000343518273 395040604 /nfs/dbraw/zinc/04/06/04/395040604.db2.gz SVCAQIMFSBRXCM-UXXRCYHCSA-N 2 1 254.418 2.262 10 0 CEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000158247462 395041439 /nfs/dbraw/zinc/04/14/39/395041439.db2.gz LWUGTRHGNRWOFI-MNOVXSKESA-N 2 1 291.317 2.006 10 0 CEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000158247462 395041445 /nfs/dbraw/zinc/04/14/45/395041445.db2.gz LWUGTRHGNRWOFI-MNOVXSKESA-N 2 1 291.317 2.006 10 0 CEAEMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262051216 153904059 /nfs/dbraw/zinc/90/40/59/153904059.db2.gz ZPFYIJJYUWTAAT-ARFHVFGLSA-N 2 1 278.371 2.072 10 0 CEAEMP Brc1c[nH+]ccc1NC[C@@H]1CCC[NH2+]1 ZINC000159894509 162319035 /nfs/dbraw/zinc/31/90/35/162319035.db2.gz RGMBLFHCNUARFM-QMMMGPOBSA-N 2 1 256.147 2.008 10 0 CEAEMP CCCCCC[C@](C)(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020520454 171233925 /nfs/dbraw/zinc/23/39/25/171233925.db2.gz IUEQAMGFAQIVGK-OAHLLOKOSA-N 2 1 255.450 2.312 10 0 CEAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037484578 173228826 /nfs/dbraw/zinc/22/88/26/173228826.db2.gz WECHEBPGFWKSRF-LBPRGKRZSA-N 2 1 283.213 2.490 10 0 CEAEMP CC(C)CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043218 174050140 /nfs/dbraw/zinc/05/01/40/174050140.db2.gz AXLXPCUGOCQEBS-HOCLYGCPSA-N 2 1 295.471 2.144 10 0 CEAEMP CC(C)CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043218 174050141 /nfs/dbraw/zinc/05/01/41/174050141.db2.gz AXLXPCUGOCQEBS-HOCLYGCPSA-N 2 1 295.471 2.144 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1F ZINC000040750073 174395186 /nfs/dbraw/zinc/39/51/86/174395186.db2.gz KTZLSXREAQDOFS-YHWZYXNKSA-N 2 1 264.344 2.159 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1F ZINC000040750073 174395187 /nfs/dbraw/zinc/39/51/87/174395187.db2.gz KTZLSXREAQDOFS-YHWZYXNKSA-N 2 1 264.344 2.159 10 0 CEAEMP CCO[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000405872827 414796635 /nfs/dbraw/zinc/79/66/35/414796635.db2.gz RCLBDAPJDYJWOD-NEXFUWMNSA-N 2 1 254.418 2.108 10 0 CEAEMP Cc1ccccc1[C@@H]([NH3+])CN1CCC(C[NH+](C)C)CC1 ZINC000042392802 174707287 /nfs/dbraw/zinc/70/72/87/174707287.db2.gz RXRQTAXRALRLKX-KRWDZBQOSA-N 2 1 275.440 2.268 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC[N@@H+](C)CC1 ZINC000043363933 175024647 /nfs/dbraw/zinc/02/46/47/175024647.db2.gz FKODOIFEQZKTHS-HIFRSBDPSA-N 2 1 265.401 2.004 10 0 CEAEMP C[NH2+][C@H](CN1CCC[N@@H+](C)CC1)c1ccc(C)cc1C ZINC000043818149 175113419 /nfs/dbraw/zinc/11/34/19/175113419.db2.gz JSSJPJRATWLNSL-QGZVFWFLSA-N 2 1 275.440 2.201 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747328 175243303 /nfs/dbraw/zinc/24/33/03/175243303.db2.gz WIXDUPCQTNTCEU-MLGOLLRUSA-N 2 1 260.381 2.311 10 0 CEAEMP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045368275 175363078 /nfs/dbraw/zinc/36/30/78/175363078.db2.gz DIYLKUSKHWNLJE-HNNXBMFYSA-N 2 1 271.449 2.131 10 0 CEAEMP CC[NH+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045375864 175366455 /nfs/dbraw/zinc/36/64/55/175366455.db2.gz ORDLFPZWSNDUDG-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377975 175367567 /nfs/dbraw/zinc/36/75/67/175367567.db2.gz DSKLJIOEBHWURJ-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OC ZINC000045377975 175367568 /nfs/dbraw/zinc/36/75/68/175367568.db2.gz DSKLJIOEBHWURJ-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP C[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379134 175368432 /nfs/dbraw/zinc/36/84/32/175368432.db2.gz JFGBMHAKHQNDHF-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP C[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379134 175368433 /nfs/dbraw/zinc/36/84/33/175368433.db2.gz JFGBMHAKHQNDHF-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388537 175374207 /nfs/dbraw/zinc/37/42/07/175374207.db2.gz CLTUDHBZKYVNMP-HOCLYGCPSA-N 2 1 285.476 2.378 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392865 175375676 /nfs/dbraw/zinc/37/56/76/175375676.db2.gz YFXUZKHMLVDYMO-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392865 175375678 /nfs/dbraw/zinc/37/56/78/175375678.db2.gz YFXUZKHMLVDYMO-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187964 176061422 /nfs/dbraw/zinc/06/14/22/176061422.db2.gz DBMRNSSNONXJMR-BFHYXJOUSA-N 2 1 281.469 2.328 10 0 CEAEMP CC[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187889 176062122 /nfs/dbraw/zinc/06/21/22/176062122.db2.gz RECVWYGWRZSUPG-BPLDGKMQSA-N 2 1 281.469 2.410 10 0 CEAEMP CCC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188218 176062586 /nfs/dbraw/zinc/06/25/86/176062586.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 2 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188218 176062587 /nfs/dbraw/zinc/06/25/87/176062587.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071188218 176062588 /nfs/dbraw/zinc/06/25/88/176062588.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188218 176062589 /nfs/dbraw/zinc/06/25/89/176062589.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 3 1 281.488 2.414 10 0 CEAEMP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188218 176062590 /nfs/dbraw/zinc/06/25/90/176062590.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 3 1 281.488 2.414 10 0 CEAEMP CN(C[C@H]1CC[N@@H+](C)C1)C1(C[NH3+])CCCCCCC1 ZINC000071188560 176062594 /nfs/dbraw/zinc/06/25/94/176062594.db2.gz XCKWCHHIPJEWBS-HNNXBMFYSA-N 2 1 267.461 2.312 10 0 CEAEMP CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188817 176063898 /nfs/dbraw/zinc/06/38/98/176063898.db2.gz HQWHZMUAKXXURI-BZUAXINKSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189010 176064803 /nfs/dbraw/zinc/06/48/03/176064803.db2.gz BGOKIQAFQOGVDV-HZMVEIRTSA-N 2 1 281.488 2.427 10 0 CEAEMP CC[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190588 176066164 /nfs/dbraw/zinc/06/61/64/176066164.db2.gz FLUJEAHBDVTLQY-OIISXLGYSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@H]([C@@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190588 176066165 /nfs/dbraw/zinc/06/61/65/176066165.db2.gz FLUJEAHBDVTLQY-OIISXLGYSA-N 2 1 276.424 2.382 10 0 CEAEMP CC[C@H]([C@@H](O)c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190588 176066167 /nfs/dbraw/zinc/06/61/67/176066167.db2.gz FLUJEAHBDVTLQY-OIISXLGYSA-N 2 1 276.424 2.382 10 0 CEAEMP COc1ccc([C@H](O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190644 176068385 /nfs/dbraw/zinc/06/83/85/176068385.db2.gz PLAVFWITHWRGIC-CKEIUWERSA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071190644 176068387 /nfs/dbraw/zinc/06/83/87/176068387.db2.gz PLAVFWITHWRGIC-CKEIUWERSA-N 2 1 292.423 2.001 10 0 CEAEMP COc1ccc([C@H](O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071190644 176068388 /nfs/dbraw/zinc/06/83/88/176068388.db2.gz PLAVFWITHWRGIC-CKEIUWERSA-N 2 1 292.423 2.001 10 0 CEAEMP CC[NH2+]CC1(CN(C)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191434 176069399 /nfs/dbraw/zinc/06/93/99/176069399.db2.gz GQRFNYHQCBKOBZ-OAHLLOKOSA-N 2 1 267.461 2.040 10 0 CEAEMP CC[C@H]1CCC(=O)[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191199 176069895 /nfs/dbraw/zinc/06/98/95/176069895.db2.gz HPQCUHCRTOFYJN-ZNMIVQPWSA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@H]1CCC(=O)[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191199 176069896 /nfs/dbraw/zinc/06/98/96/176069896.db2.gz HPQCUHCRTOFYJN-ZNMIVQPWSA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@H]1CCC(=O)[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071191199 176069898 /nfs/dbraw/zinc/06/98/98/176069898.db2.gz HPQCUHCRTOFYJN-ZNMIVQPWSA-N 2 1 266.429 2.265 10 0 CEAEMP CC[C@H]1CCC(=O)[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071191199 176069899 /nfs/dbraw/zinc/06/98/99/176069899.db2.gz HPQCUHCRTOFYJN-ZNMIVQPWSA-N 2 1 266.429 2.265 10 0 CEAEMP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191217 176070171 /nfs/dbraw/zinc/07/01/71/176070171.db2.gz SXSJPILCKBNYFU-KGLIPLIRSA-N 2 1 252.402 2.019 10 0 CEAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191217 176070172 /nfs/dbraw/zinc/07/01/72/176070172.db2.gz SXSJPILCKBNYFU-KGLIPLIRSA-N 2 1 252.402 2.019 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191217 176070174 /nfs/dbraw/zinc/07/01/74/176070174.db2.gz SXSJPILCKBNYFU-KGLIPLIRSA-N 2 1 252.402 2.019 10 0 CEAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCCCCC1=O ZINC000071191217 176070175 /nfs/dbraw/zinc/07/01/75/176070175.db2.gz SXSJPILCKBNYFU-KGLIPLIRSA-N 2 1 252.402 2.019 10 0 CEAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000071191636 176070802 /nfs/dbraw/zinc/07/08/02/176070802.db2.gz ZVRNNIQNDDXAAU-CQSZACIVSA-N 2 1 290.455 2.358 10 0 CEAEMP CCC[NH2+]Cc1oc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071192036 176071266 /nfs/dbraw/zinc/07/12/66/176071266.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 2 1 293.455 2.471 10 0 CEAEMP CCC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)oc1C ZINC000071191947 176071336 /nfs/dbraw/zinc/07/13/36/176071336.db2.gz VTQIQELNGKPSOZ-HNNXBMFYSA-N 2 1 293.455 2.471 10 0 CEAEMP Cc1oc(C[NH2+]C2CC2)cc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192077 176073500 /nfs/dbraw/zinc/07/35/00/176073500.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 2 1 291.439 2.224 10 0 CEAEMP CCc1ccc(C[N@H+](CCOC)CCC(N)=[NH2+])s1 ZINC000071229116 176091124 /nfs/dbraw/zinc/09/11/24/176091124.db2.gz VWWFFVINUMHKIS-UHFFFAOYSA-N 2 1 269.414 2.085 10 0 CEAEMP CCc1ccc(C[N@@H+](CCOC)CCC(N)=[NH2+])s1 ZINC000071229116 176091126 /nfs/dbraw/zinc/09/11/26/176091126.db2.gz VWWFFVINUMHKIS-UHFFFAOYSA-N 2 1 269.414 2.085 10 0 CEAEMP C[N@H+](Cc1cccnc1)Cc1ccc(F)cc1C[NH3+] ZINC000071250406 176095128 /nfs/dbraw/zinc/09/51/28/176095128.db2.gz TYIQSVXMJWGJCL-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP C[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1C[NH3+] ZINC000071250406 176095129 /nfs/dbraw/zinc/09/51/29/176095129.db2.gz TYIQSVXMJWGJCL-UHFFFAOYSA-N 2 1 259.328 2.311 10 0 CEAEMP [NH3+]Cc1cc(F)ccc1C[N@@H+](CCO)C1CCCCC1 ZINC000071263469 176096946 /nfs/dbraw/zinc/09/69/46/176096946.db2.gz UOIKBEVOMPMZQC-UHFFFAOYSA-N 2 1 280.387 2.411 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267869 176101653 /nfs/dbraw/zinc/10/16/53/176101653.db2.gz YYLOLDAUUOLJDF-ZDUSSCGKSA-N 2 1 279.359 2.111 10 0 CEAEMP C[C@H]1C[N@@H+](CCCCCC[NH2+]C2CC2)CCCO1 ZINC000071289845 176110177 /nfs/dbraw/zinc/11/01/77/176110177.db2.gz BNJVASYSUHHLOQ-AWEZNQCLSA-N 2 1 254.418 2.410 10 0 CEAEMP CC[NH2+]CCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000071289864 176110597 /nfs/dbraw/zinc/11/05/97/176110597.db2.gz RNKAZYLOGQOZMT-UHFFFAOYSA-N 2 1 295.393 2.336 10 0 CEAEMP C[NH2+]CCCCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000071289752 176110681 /nfs/dbraw/zinc/11/06/81/176110681.db2.gz PWWMNUVWKBRCMB-GJZGRUSLSA-N 2 1 254.418 2.410 10 0 CEAEMP CCOC(=O)CCCCC[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000071293762 176111751 /nfs/dbraw/zinc/11/17/51/176111751.db2.gz JWCPFOAMFJFJQE-AWEZNQCLSA-N 2 1 270.417 2.184 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1cc[nH+]c1C ZINC000071346520 176132077 /nfs/dbraw/zinc/13/20/77/176132077.db2.gz CEZQDYNXXHJGTI-CABCVRRESA-N 2 1 278.444 2.290 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(CCn2cc[nH+]c2C)[C@@H](CC)C[NH2+]1 ZINC000071354138 176136299 /nfs/dbraw/zinc/13/62/99/176136299.db2.gz GEVMTWIHMKLMBJ-BPUTZDHNSA-N 2 1 278.444 2.290 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(CCn2cc[nH+]c2C)[C@H](C2CC2)C[NH2+]1 ZINC000071355312 176136894 /nfs/dbraw/zinc/13/68/94/176136894.db2.gz ZWHBQPWNOAUGRB-COXVUDFISA-N 2 1 290.455 2.290 10 0 CEAEMP [NH3+][C@H](CCCN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000071401841 176153758 /nfs/dbraw/zinc/15/37/58/176153758.db2.gz GNHGFZDXOALMOW-QGZVFWFLSA-N 2 1 273.424 2.247 10 0 CEAEMP C[NH+](C)CCCn1c2ccccc2nc1C[NH+](C)C ZINC000071502841 176192942 /nfs/dbraw/zinc/19/29/42/176192942.db2.gz HJQVGDQEWAGSJH-UHFFFAOYSA-N 2 1 260.385 2.050 10 0 CEAEMP C[C@@H](C[NH3+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390619011 262228835 /nfs/dbraw/zinc/22/88/35/262228835.db2.gz YZAXPUDZWAVTHJ-LNRIEFBSSA-N 2 1 273.424 2.119 10 0 CEAEMP C1C[C@@H]([NH2+]C2CCCCC2)[C@H]([C@@H]2COCC[NH2+]2)C1 ZINC000261918328 276852557 /nfs/dbraw/zinc/85/25/57/276852557.db2.gz JXXHLSPEDWPDEU-KFWWJZLASA-N 2 1 252.402 2.066 10 0 CEAEMP CC[N@H+]1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252775090 279323682 /nfs/dbraw/zinc/32/36/82/279323682.db2.gz JYYMZFJPKPVCIS-RCBQFDQVSA-N 2 1 259.397 2.205 10 0 CEAEMP Cc1ccc2[nH+]ccc(NC[C@H]3C[N@H+](C)CCO3)c2c1 ZINC000185561486 281171346 /nfs/dbraw/zinc/17/13/46/281171346.db2.gz IGHWSBDICWJOII-ZDUSSCGKSA-N 2 1 271.364 2.286 10 0 CEAEMP Cc1ccc2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCO3)c2c1 ZINC000185561486 281171349 /nfs/dbraw/zinc/17/13/49/281171349.db2.gz IGHWSBDICWJOII-ZDUSSCGKSA-N 2 1 271.364 2.286 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccco2)O1 ZINC000052456873 519724016 /nfs/dbraw/zinc/72/40/16/519724016.db2.gz LGHMTYUDOLJAJZ-DZGCQCFKSA-N 2 1 266.385 2.257 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCc3sccc3C2)O1 ZINC000052416592 519953711 /nfs/dbraw/zinc/95/37/11/519953711.db2.gz WQULCUMJCYVVCC-KBPBESRZSA-N 2 1 280.437 2.263 10 0 CEAEMP CCC[NH2+]Cc1cn(CC[N@@H+](CC(C)C)C(C)C)nn1 ZINC000052572598 519962397 /nfs/dbraw/zinc/96/23/97/519962397.db2.gz UICDXQUJQVBMIZ-UHFFFAOYSA-N 2 1 281.448 2.144 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@@H](C)[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000068628647 520138437 /nfs/dbraw/zinc/13/84/37/520138437.db2.gz ZHWWQTVYXLZXTR-ZBFHGGJFSA-N 2 1 285.476 2.233 10 0 CEAEMP CCO[C@H]1CCC[N@@H+](C[C@@H](C)C[NH2+]CC(C)C)C1 ZINC000052372118 520527728 /nfs/dbraw/zinc/52/77/28/520527728.db2.gz AQRBCESKARMKKX-GJZGRUSLSA-N 2 1 256.434 2.369 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)C(C)(C)CC ZINC000069443237 521153211 /nfs/dbraw/zinc/15/32/11/521153211.db2.gz QKKDKRDJQOUKLI-AWEZNQCLSA-N 2 1 258.406 2.168 10 0 CEAEMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443463 522015924 /nfs/dbraw/zinc/01/59/24/522015924.db2.gz YZGPGUHOMFPLDH-CYBMUJFWSA-N 2 1 281.831 2.460 10 0 CEAEMP C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)[NH2+]C1CCOCC1 ZINC000062767718 518389367 /nfs/dbraw/zinc/38/93/67/518389367.db2.gz LZMPPGQORBDFNA-HOCLYGCPSA-N 2 1 266.429 2.410 10 0 CEAEMP C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)[NH2+]C1CCOCC1 ZINC000062767718 518389372 /nfs/dbraw/zinc/38/93/72/518389372.db2.gz LZMPPGQORBDFNA-HOCLYGCPSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)(C)[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711765 518753390 /nfs/dbraw/zinc/75/33/90/518753390.db2.gz HGSZYWOOFMRYBF-AWEZNQCLSA-N 2 1 268.445 2.392 10 0 CEAEMP CC(C)[NH2+]CCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000052570404 519720486 /nfs/dbraw/zinc/72/04/86/519720486.db2.gz KADIOSQMKBMCIX-UHFFFAOYSA-N 2 1 252.406 2.020 10 0 CEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccncc2)O1 ZINC000052481019 519725199 /nfs/dbraw/zinc/72/51/99/519725199.db2.gz OBDYMDRDNCKDIG-CVEARBPZSA-N 2 1 277.412 2.059 10 0 CEAEMP CC(C)[NH2+]Cc1cc(COCC[C@@H]2CCC[N@H+]2C)on1 ZINC000052673344 519726337 /nfs/dbraw/zinc/72/63/37/519726337.db2.gz NNVXXHVJSWJKHE-AWEZNQCLSA-N 2 1 281.400 2.174 10 0 CEAEMP CC(C)[NH2+]Cc1cn(CC[N@@H+](C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000052546760 519728341 /nfs/dbraw/zinc/72/83/41/519728341.db2.gz DPYKQHBFLHXHRJ-GOEBONIOSA-N 2 1 293.459 2.287 10 0 CEAEMP CC(C)C[NH2+]CCCCC[N@H+]1CCCN(C)CC1 ZINC000052424334 519743428 /nfs/dbraw/zinc/74/34/28/519743428.db2.gz FHTITEMQVBELRV-UHFFFAOYSA-N 2 1 255.450 2.040 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@H+]1C ZINC000054628968 519908481 /nfs/dbraw/zinc/90/84/81/519908481.db2.gz QQLRXJJRCRZDLM-HMQMGEFJSA-N 2 1 279.472 2.466 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[C@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673633 519940230 /nfs/dbraw/zinc/94/02/30/519940230.db2.gz VAWSIUHOWNFBBE-ARFHVFGLSA-N 2 1 284.444 2.035 10 0 CEAEMP CC[NH2+]C[C@H](C)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702361 519969725 /nfs/dbraw/zinc/96/97/25/519969725.db2.gz OHPLHADTFMHFRM-GOEBONIOSA-N 2 1 262.397 2.276 10 0 CEAEMP CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000053011837 519976114 /nfs/dbraw/zinc/97/61/14/519976114.db2.gz DKWXDPMJCKMJDX-CQSZACIVSA-N 2 1 250.361 2.300 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CCOC)C(CC)CC)O1 ZINC000052573393 519979007 /nfs/dbraw/zinc/97/90/07/519979007.db2.gz LRXLVFMLCNDZGI-HZPDHXFCSA-N 2 1 286.460 2.281 10 0 CEAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCc3ccccc3C2)O1 ZINC000052419167 519980062 /nfs/dbraw/zinc/98/00/62/519980062.db2.gz LTSVUODGFRJQGT-SJORKVTESA-N 2 1 274.408 2.202 10 0 CEAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)COC)c(C)o1 ZINC000052511916 519988588 /nfs/dbraw/zinc/98/85/88/519988588.db2.gz AKFREHJBFTVUIS-NSHDSACASA-N 2 1 254.374 2.164 10 0 CEAEMP CC[NH2+]Cc1ccccc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942388 520005720 /nfs/dbraw/zinc/00/57/20/520005720.db2.gz YJGAQUFQPHMQTN-GOSISDBHSA-N 2 1 287.451 2.466 10 0 CEAEMP CC[NH2+]Cc1nccn1Cc1[nH+]cc(C)c(OC)c1C ZINC000051004795 520023330 /nfs/dbraw/zinc/02/33/30/520023330.db2.gz MFJDYOCLBJWTDP-UHFFFAOYSA-N 2 1 274.368 2.061 10 0 CEAEMP CC[NH2+]Cc1oc(C[NH+]2CCSCC2)cc1C ZINC000052443343 520027730 /nfs/dbraw/zinc/02/77/30/520027730.db2.gz KHUOEJVTXQUTER-UHFFFAOYSA-N 2 1 254.399 2.246 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+](C)CCc1ccncc1 ZINC000052483090 520031360 /nfs/dbraw/zinc/03/13/60/520031360.db2.gz GZYYBDUSZNRQBS-UHFFFAOYSA-N 2 1 273.380 2.459 10 0 CEAEMP CC[NH2+][C@@H](C)CCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055065147 520073372 /nfs/dbraw/zinc/07/33/72/520073372.db2.gz OTHUSOVLCCPTRX-GJZGRUSLSA-N 2 1 255.450 2.181 10 0 CEAEMP CCC[NH2+][C@H](CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000062532829 520074728 /nfs/dbraw/zinc/07/47/28/520074728.db2.gz NSJODUOZENSYKL-OAHLLOKOSA-N 2 1 295.471 2.276 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000068641362 520143352 /nfs/dbraw/zinc/14/33/52/520143352.db2.gz NSHJCGDUVBOJNH-GUYCJALGSA-N 2 1 297.487 2.377 10 0 CEAEMP CC[NH2+][C@H](C)CCCC[NH+]1CCN(CC(C)C)CC1 ZINC000055078732 520172841 /nfs/dbraw/zinc/17/28/41/520172841.db2.gz VGSRFCZZOLWRCW-MRXNPFEDSA-N 2 1 269.477 2.428 10 0 CEAEMP CCO[C@H](C[NH3+])CC[N@H+]1CCc2sccc2[C@@H]1C ZINC000062741180 520515613 /nfs/dbraw/zinc/51/56/13/520515613.db2.gz YSQOCAUNTBUQSG-RYUDHWBXSA-N 2 1 268.426 2.421 10 0 CEAEMP CC[NH+](CC)CCNCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000053386890 520686636 /nfs/dbraw/zinc/68/66/36/520686636.db2.gz FVBQCVSQEYXTTG-GOSISDBHSA-N 2 1 289.467 2.407 10 0 CEAEMP CCCCOCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054629605 520761689 /nfs/dbraw/zinc/76/16/89/520761689.db2.gz KIJVRQKTRCEMFI-GOOCMWNKSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[C@]1(COC)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261801895 521323365 /nfs/dbraw/zinc/32/33/65/521323365.db2.gz GYHIHOJCWNPMMY-LSDHHAIUSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[N@H+](Cc1ccccc1C[NH2+]C)C[C@H]1CCCO1 ZINC000052511103 521381151 /nfs/dbraw/zinc/38/11/51/521381151.db2.gz CSXMYOZDZKVKID-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CCCc1[nH+]ccn1[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068650302 521555151 /nfs/dbraw/zinc/55/51/51/521555151.db2.gz FOCCLJHQCAMLBH-DOMZBBRYSA-N 2 1 280.416 2.029 10 0 CEAEMP CCC[N@@H+](CCO)C[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000053873950 521667147 /nfs/dbraw/zinc/66/71/47/521667147.db2.gz HGUSKBLBXQIQIN-CABCVRRESA-N 2 1 256.434 2.249 10 0 CEAEMP CC[NH+]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810789 521691526 /nfs/dbraw/zinc/69/15/26/521691526.db2.gz OSMKAGBFYNALEA-AWEZNQCLSA-N 2 1 273.380 2.070 10 0 CEAEMP CC[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)C)s2)CC1 ZINC000054899354 521702083 /nfs/dbraw/zinc/70/20/83/521702083.db2.gz GYGLGGZXZVBQKF-UHFFFAOYSA-N 2 1 282.457 2.173 10 0 CEAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763343 521968198 /nfs/dbraw/zinc/96/81/98/521968198.db2.gz YUNZVHXHPAWTIY-CQSZACIVSA-N 2 1 254.418 2.003 10 0 CEAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)on1 ZINC000052373084 522105838 /nfs/dbraw/zinc/10/58/38/522105838.db2.gz GYFGEDFNQLFFIO-AWEZNQCLSA-N 2 1 271.364 2.384 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083590 522118113 /nfs/dbraw/zinc/11/81/13/522118113.db2.gz YNQSGYYAQZYHMM-HZPDHXFCSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1CN1CCC[N@@H+](C)CC1 ZINC000052424201 522159512 /nfs/dbraw/zinc/15/95/12/522159512.db2.gz RMAWAJHISYPHAH-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCCN(C)CC1 ZINC000052424201 522159517 /nfs/dbraw/zinc/15/95/17/522159517.db2.gz RMAWAJHISYPHAH-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP C[NH2+]Cc1oc2ccccc2c1C[N@H+]1CCCN(C)CC1 ZINC000052424201 522159520 /nfs/dbraw/zinc/15/95/20/522159520.db2.gz RMAWAJHISYPHAH-UHFFFAOYSA-N 2 1 287.407 2.290 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1C ZINC000052573249 522161657 /nfs/dbraw/zinc/16/16/57/522161657.db2.gz CEUCTUKFFQVFKN-LSDHHAIUSA-N 2 1 278.396 2.451 10 0 CEAEMP C[NH2+]Cc1oc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1C ZINC000052573249 522161664 /nfs/dbraw/zinc/16/16/64/522161664.db2.gz CEUCTUKFFQVFKN-LSDHHAIUSA-N 2 1 278.396 2.451 10 0 CEAEMP CC[C@@H](N)[C@@H]([N@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757391 522647148 /nfs/dbraw/zinc/64/71/48/522647148.db2.gz MBXZQGKVWSSZCA-MGPQQGTHSA-N 2 1 256.434 2.375 10 0 CEAEMP C[N@H+](Cc1cccs1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761136 523447547 /nfs/dbraw/zinc/44/75/47/523447547.db2.gz HDDRJYQDYPOEMC-UHFFFAOYSA-N 2 1 260.366 2.059 10 0 CEAEMP C[N@@H+](Cc1cccs1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761136 523447553 /nfs/dbraw/zinc/44/75/53/523447553.db2.gz HDDRJYQDYPOEMC-UHFFFAOYSA-N 2 1 260.366 2.059 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197587 523505251 /nfs/dbraw/zinc/50/52/51/523505251.db2.gz ZVXXFPIGOCYQAO-GOEBONIOSA-N 2 1 296.455 2.035 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197587 523505261 /nfs/dbraw/zinc/50/52/61/523505261.db2.gz ZVXXFPIGOCYQAO-GOEBONIOSA-N 2 1 296.455 2.035 10 0 CEAEMP COCC[N@@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052183073 523689505 /nfs/dbraw/zinc/68/95/05/523689505.db2.gz RQSVWIBQXLDTGA-UHFFFAOYSA-N 2 1 298.471 2.140 10 0 CEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CCCCn1ccnc1 ZINC000052206217 523793955 /nfs/dbraw/zinc/79/39/55/523793955.db2.gz BDNWFNDCFCLSMX-OAHLLOKOSA-N 2 1 264.417 2.127 10 0 CEAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000062702698 523980988 /nfs/dbraw/zinc/98/09/88/523980988.db2.gz YCWSGZKBXYQGLA-LLVKDONJSA-N 2 1 299.212 2.196 10 0 CEAEMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C[NH3+])[C@@H]1C ZINC000050563662 524221292 /nfs/dbraw/zinc/22/12/92/524221292.db2.gz NCJWIJNWEOKUJP-CHWSQXEVSA-N 2 1 275.396 2.204 10 0 CEAEMP Cc1ccccc1C[N@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761308 525128515 /nfs/dbraw/zinc/12/85/15/525128515.db2.gz TXNGMKIVZFGFAU-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP Cc1ccccc1C[N@@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761308 525128518 /nfs/dbraw/zinc/12/85/18/525128518.db2.gz TXNGMKIVZFGFAU-UHFFFAOYSA-N 2 1 268.364 2.306 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068629668 525647331 /nfs/dbraw/zinc/64/73/31/525647331.db2.gz JCWDEBODAJDHOH-HZMVEIRTSA-N 2 1 279.472 2.310 10 0 CEAEMP Cc1oc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1C[NH3+] ZINC000052543476 526773514 /nfs/dbraw/zinc/77/35/14/526773514.db2.gz IXTAOXNPIRGILK-SNVBAGLBSA-N 2 1 252.358 2.046 10 0 CEAEMP Cc1oc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1C[NH3+] ZINC000052543476 526773520 /nfs/dbraw/zinc/77/35/20/526773520.db2.gz IXTAOXNPIRGILK-SNVBAGLBSA-N 2 1 252.358 2.046 10 0 CEAEMP NC(=[NH2+])CC[N@@H+](CCCOc1ccccc1)C1CC1 ZINC000061815886 526816163 /nfs/dbraw/zinc/81/61/63/526816163.db2.gz CZFWVWKRJJNAHX-UHFFFAOYSA-N 2 1 261.369 2.246 10 0 CEAEMP NC(=[NH2+])c1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000068761831 526819285 /nfs/dbraw/zinc/81/92/85/526819285.db2.gz RCEOAKIBTLBONF-HNNXBMFYSA-N 2 1 280.375 2.355 10 0 CEAEMP [NH3+]C[C@@H]1CCCCC[C@@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052758172 527207738 /nfs/dbraw/zinc/20/77/38/527207738.db2.gz KKXNLLPZCNZCDX-ZNMIVQPWSA-N 2 1 254.418 2.131 10 0 CEAEMP [NH3+]Cc1ncccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000061656600 527265078 /nfs/dbraw/zinc/26/50/78/527265078.db2.gz IBJRCDIMFDTGOZ-INIZCTEOSA-N 2 1 268.364 2.272 10 0 CEAEMP Cc1[nH+]ccn1CCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000068693873 527427462 /nfs/dbraw/zinc/42/74/62/527427462.db2.gz FIRCSAFRKXSHHH-INIZCTEOSA-N 2 1 276.428 2.046 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@H]12 ZINC000312652283 628360817 /nfs/dbraw/zinc/36/08/17/628360817.db2.gz FXGZAMIRLUZIPB-XOKHGSTOSA-N 2 1 267.376 2.404 10 0 CEAEMP CC1(C)CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398953704 628766560 /nfs/dbraw/zinc/76/65/60/628766560.db2.gz AQZFYFHFPNKUHV-CQSZACIVSA-N 2 1 254.418 2.002 10 0 CEAEMP OCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000399035828 628771285 /nfs/dbraw/zinc/77/12/85/628771285.db2.gz OAYCMGHADDNMEA-UHFFFAOYSA-N 2 1 286.778 2.025 10 0 CEAEMP Brc1c[nH+]ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571725 628939064 /nfs/dbraw/zinc/93/90/64/628939064.db2.gz HTYXWFZKLWKKQY-GFCCVEGCSA-N 2 1 282.185 2.034 10 0 CEAEMP CC(C)CC[N@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000096837354 185116522 /nfs/dbraw/zinc/11/65/22/185116522.db2.gz UVMIEVMNMGBOHH-QGZVFWFLSA-N 2 1 276.424 2.343 10 0 CEAEMP CC(C)CC[N@@H+](C[C@](O)(C[NH3+])c1ccccc1)C1CC1 ZINC000096837354 185116523 /nfs/dbraw/zinc/11/65/23/185116523.db2.gz UVMIEVMNMGBOHH-QGZVFWFLSA-N 2 1 276.424 2.343 10 0 CEAEMP CC(C)CC[N@@H+](CCCC[C@@](C)([NH3+])CO)C1CC1 ZINC000096837015 185116797 /nfs/dbraw/zinc/11/67/97/185116797.db2.gz RAEXPTXXODPXLC-OAHLLOKOSA-N 2 1 256.434 2.377 10 0 CEAEMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(C[NH3+])CC3)CC[C@H]21 ZINC000097031417 185154420 /nfs/dbraw/zinc/15/44/20/185154420.db2.gz FHVSQCPIAUFTPS-BHUNQDJPSA-N 3 1 279.472 2.168 10 0 CEAEMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC(C[NH3+])CC3)CC[C@H]21 ZINC000097031417 185154421 /nfs/dbraw/zinc/15/44/21/185154421.db2.gz FHVSQCPIAUFTPS-BHUNQDJPSA-N 3 1 279.472 2.168 10 0 CEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC(C[NH3+])CC3)CC[C@H]21 ZINC000097031417 185154423 /nfs/dbraw/zinc/15/44/23/185154423.db2.gz FHVSQCPIAUFTPS-BHUNQDJPSA-N 3 1 279.472 2.168 10 0 CEAEMP C[N@@H+]1CCC[C@@H]2CN(CC3CCC(C[NH3+])CC3)CC[C@H]21 ZINC000097031417 185154425 /nfs/dbraw/zinc/15/44/25/185154425.db2.gz FHVSQCPIAUFTPS-BHUNQDJPSA-N 2 1 279.472 2.168 10 0 CEAEMP C[N@H+]1CCC[C@@H]2CN(CC3CCC(C[NH3+])CC3)CC[C@H]21 ZINC000097031417 185154426 /nfs/dbraw/zinc/15/44/26/185154426.db2.gz FHVSQCPIAUFTPS-BHUNQDJPSA-N 2 1 279.472 2.168 10 0 CEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cncnc3)C2)[nH+]1 ZINC000128268166 539253118 /nfs/dbraw/zinc/25/31/18/539253118.db2.gz LWWRIJGWVVOXJM-CQSZACIVSA-N 2 1 283.379 2.114 10 0 CEAEMP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399019566 344856291 /nfs/dbraw/zinc/85/62/91/344856291.db2.gz GXAHIJZZRLBHPC-HNNXBMFYSA-N 2 1 276.424 2.054 10 0 CEAEMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301821 179010007 /nfs/dbraw/zinc/01/00/07/179010007.db2.gz MHIVMMBNZBKVID-CJNGLKHVSA-N 2 1 268.445 2.234 10 0 CEAEMP C[N@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CCCCC1 ZINC000085304232 179011083 /nfs/dbraw/zinc/01/10/83/179011083.db2.gz KMSPZZAXSLTTDM-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP C[N@@H+](C[C@@](O)(C[NH3+])c1ccccc1)C1CCCCC1 ZINC000085304232 179011084 /nfs/dbraw/zinc/01/10/84/179011084.db2.gz KMSPZZAXSLTTDM-INIZCTEOSA-N 2 1 262.397 2.097 10 0 CEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369448 179039004 /nfs/dbraw/zinc/03/90/04/179039004.db2.gz AZQYAJYRMVOQKT-CVEARBPZSA-N 2 1 295.471 2.083 10 0 CEAEMP CN(C)C(=O)CCC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403645 179053145 /nfs/dbraw/zinc/05/31/45/179053145.db2.gz BVTUZXWWIJJBMA-INIZCTEOSA-N 2 1 295.471 2.099 10 0 CEAEMP CC(C)Cc1nc2c(n1CC[N@@H+](C)C(C)C)CC[NH2+]C2 ZINC000085570920 179096094 /nfs/dbraw/zinc/09/60/94/179096094.db2.gz AZUOXLPSNADLOI-UHFFFAOYSA-N 2 1 278.444 2.068 10 0 CEAEMP C1CC1c1nc2c(n1[C@H]1CC[N@H+]3CCCC[C@@H]13)CC[NH2+]C2 ZINC000085573581 179099566 /nfs/dbraw/zinc/09/95/66/179099566.db2.gz NOQUFHGGLAFUCN-HOTGVXAUSA-N 2 1 286.423 2.206 10 0 CEAEMP C[N@H+]1CC[C@@H](n2c3c(nc2-c2ccccc2)C[NH2+]CC3)C1 ZINC000085607112 179101098 /nfs/dbraw/zinc/10/10/98/179101098.db2.gz FVSAYOFXVOULEV-CQSZACIVSA-N 2 1 282.391 2.072 10 0 CEAEMP CC(C)(C)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613834 179103536 /nfs/dbraw/zinc/10/35/36/179103536.db2.gz YUIFZVMNAVFERM-KBPBESRZSA-N 2 1 254.418 2.266 10 0 CEAEMP C[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085618881 179104723 /nfs/dbraw/zinc/10/47/23/179104723.db2.gz APFZFYCHXYRLII-NJAFHUGGSA-N 2 1 288.435 2.461 10 0 CEAEMP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@H+]1CCCn1ccnc1 ZINC000085623130 179105089 /nfs/dbraw/zinc/10/50/89/179105089.db2.gz BHIYBFRBLOVXLM-OAHLLOKOSA-N 2 1 276.428 2.270 10 0 CEAEMP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C12CCCC2 ZINC000085679937 179113487 /nfs/dbraw/zinc/11/34/87/179113487.db2.gz IHHQJRGRZPFNTB-KKUMJFAQSA-N 2 1 266.429 2.266 10 0 CEAEMP CCC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085800698 179173736 /nfs/dbraw/zinc/17/37/36/179173736.db2.gz ZZRRWCGUNVUYNF-KZNAEPCWSA-N 2 1 288.435 2.461 10 0 CEAEMP CCC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085800698 179173737 /nfs/dbraw/zinc/17/37/37/179173737.db2.gz ZZRRWCGUNVUYNF-KZNAEPCWSA-N 2 1 288.435 2.461 10 0 CEAEMP CC[N@H+]1CC[C@@H](CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086223021 179250762 /nfs/dbraw/zinc/25/07/62/179250762.db2.gz JQOGUJIEFHSRGY-JKSUJKDBSA-N 2 1 279.472 2.325 10 0 CEAEMP CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261042 179259750 /nfs/dbraw/zinc/25/97/50/179259750.db2.gz FVQFTRMBCBGDCN-IAGOWNOFSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCC[NH+](C)C ZINC000086261042 179259752 /nfs/dbraw/zinc/25/97/52/179259752.db2.gz FVQFTRMBCBGDCN-IAGOWNOFSA-N 2 1 281.488 2.427 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086260760 179260424 /nfs/dbraw/zinc/26/04/24/179260424.db2.gz RNVFNKDTKKVJSD-JKSUJKDBSA-N 2 1 279.472 2.323 10 0 CEAEMP Fc1ccc(CC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000086285663 179263638 /nfs/dbraw/zinc/26/36/38/179263638.db2.gz VFJVQUJCXQQTGY-MRXNPFEDSA-N 2 1 262.372 2.442 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086289423 179264073 /nfs/dbraw/zinc/26/40/73/179264073.db2.gz UDQVSOHCKHEPTN-HNNXBMFYSA-N 2 1 265.445 2.079 10 0 CEAEMP CC[C@@H](C)[C@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287086 179264687 /nfs/dbraw/zinc/26/46/87/179264687.db2.gz GFMRCZKLCPPUPS-BARDWOONSA-N 2 1 254.418 2.264 10 0 CEAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291434 179265613 /nfs/dbraw/zinc/26/56/13/179265613.db2.gz QSLSKMQMGJRCST-ZBFHGGJFSA-N 2 1 267.461 2.038 10 0 CEAEMP CC[C@@H](C)[C@@H]1CN(CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291434 179265616 /nfs/dbraw/zinc/26/56/16/179265616.db2.gz QSLSKMQMGJRCST-ZBFHGGJFSA-N 2 1 267.461 2.038 10 0 CEAEMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2ccnc2)CC1 ZINC000086818323 179347569 /nfs/dbraw/zinc/34/75/69/179347569.db2.gz RTMNQPFZSYLFGS-ZNMIVQPWSA-N 2 1 262.401 2.051 10 0 CEAEMP CN(C1CCCCCC1)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819327 179348262 /nfs/dbraw/zinc/34/82/62/179348262.db2.gz YNMVGXYRNAXJRH-INIZCTEOSA-N 2 1 267.461 2.454 10 0 CEAEMP CN(C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086817385 179345361 /nfs/dbraw/zinc/34/53/61/179345361.db2.gz BHEMYTGDGHUXKT-KBPBESRZSA-N 2 1 281.469 2.425 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@H]1CCC[N@H+](C)CC1)c1cccs1 ZINC000086817385 179345365 /nfs/dbraw/zinc/34/53/65/179345365.db2.gz BHEMYTGDGHUXKT-KBPBESRZSA-N 2 1 281.469 2.425 10 0 CEAEMP C[NH+](C)[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086817385 179345369 /nfs/dbraw/zinc/34/53/69/179345369.db2.gz BHEMYTGDGHUXKT-KBPBESRZSA-N 2 1 281.469 2.425 10 0 CEAEMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818582 179346614 /nfs/dbraw/zinc/34/66/14/179346614.db2.gz RPMMBQBEYBWYOU-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818582 179346616 /nfs/dbraw/zinc/34/66/16/179346616.db2.gz RPMMBQBEYBWYOU-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818582 179346617 /nfs/dbraw/zinc/34/66/17/179346617.db2.gz RPMMBQBEYBWYOU-LSDHHAIUSA-N 2 1 255.450 2.037 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)Cc2csc(C)n2)CC1 ZINC000086848243 179356591 /nfs/dbraw/zinc/35/65/91/179356591.db2.gz CXZYPABYSGYUAA-HNNXBMFYSA-N 2 1 296.484 2.087 10 0 CEAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(CCOC)CC(C)C)CC1 ZINC000086848019 179357178 /nfs/dbraw/zinc/35/71/78/179357178.db2.gz VBMSAQJZIKKCBZ-KRWDZBQOSA-N 2 1 299.503 2.184 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835005 179350631 /nfs/dbraw/zinc/35/06/31/179350631.db2.gz BFADYARUCRNRHQ-HNNXBMFYSA-N 2 1 269.477 2.428 10 0 CEAEMP CCC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835005 179350633 /nfs/dbraw/zinc/35/06/33/179350633.db2.gz BFADYARUCRNRHQ-HNNXBMFYSA-N 3 1 269.477 2.428 10 0 CEAEMP CCC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000086835005 179350634 /nfs/dbraw/zinc/35/06/34/179350634.db2.gz BFADYARUCRNRHQ-HNNXBMFYSA-N 3 1 269.477 2.428 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836671 179351402 /nfs/dbraw/zinc/35/14/02/179351402.db2.gz XABTUBLZJFHFFU-CABCVRRESA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@H+]1CCC[C@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836672 179351693 /nfs/dbraw/zinc/35/16/93/179351693.db2.gz FATGXWIQBZKBDJ-HOTGVXAUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837767 179351978 /nfs/dbraw/zinc/35/19/78/179351978.db2.gz MPONQWBDSBPATF-CVEARBPZSA-N 2 1 297.487 2.342 10 0 CEAEMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086839885 179352199 /nfs/dbraw/zinc/35/21/99/179352199.db2.gz VWEXLMDQYPIPNS-HUUCEWRRSA-N 2 1 283.460 2.096 10 0 CEAEMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086839885 179352200 /nfs/dbraw/zinc/35/22/00/179352200.db2.gz VWEXLMDQYPIPNS-HUUCEWRRSA-N 2 1 283.460 2.096 10 0 CEAEMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842532 179353673 /nfs/dbraw/zinc/35/36/73/179353673.db2.gz GLEGWFGFMJWOFT-CABCVRRESA-N 2 1 256.434 2.246 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NCC[NH+]2CCC(C)CC2)CC1 ZINC000086842522 179353915 /nfs/dbraw/zinc/35/39/15/179353915.db2.gz QABBOALESSKJIV-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]CCN2CCC(C)CC2)CC1 ZINC000086842522 179353916 /nfs/dbraw/zinc/35/39/16/179353916.db2.gz QABBOALESSKJIV-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCN2CCC(C)CC2)CC1 ZINC000086842522 179353917 /nfs/dbraw/zinc/35/39/17/179353917.db2.gz QABBOALESSKJIV-MRXNPFEDSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H](NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844690 179355269 /nfs/dbraw/zinc/35/52/69/179355269.db2.gz SKUMMVPFMIBJGZ-HZPDHXFCSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844690 179355271 /nfs/dbraw/zinc/35/52/71/179355271.db2.gz SKUMMVPFMIBJGZ-HZPDHXFCSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844690 179355274 /nfs/dbraw/zinc/35/52/74/179355274.db2.gz SKUMMVPFMIBJGZ-HZPDHXFCSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846740 179355515 /nfs/dbraw/zinc/35/55/15/179355515.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@@H+]1CCC[C@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846740 179355516 /nfs/dbraw/zinc/35/55/16/179355516.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[N@H+]1CCC[C@](CN)([NH+](C)C2CCCC2)CC1 ZINC000086846740 179355518 /nfs/dbraw/zinc/35/55/18/179355518.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@H+](C)C2CCCC2)CC1 ZINC000086846740 179355520 /nfs/dbraw/zinc/35/55/20/179355520.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC[NH+]1CCC[C@](CN)([N@@H+](C)C2CCCC2)CC1 ZINC000086846740 179355521 /nfs/dbraw/zinc/35/55/21/179355521.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 2 1 253.434 2.064 10 0 CEAEMP CC(C)[N@H+]1CCC[C@@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846179 179355588 /nfs/dbraw/zinc/35/55/88/179355588.db2.gz QDFFOOXQJKDSGH-JKSUJKDBSA-N 2 1 267.461 2.453 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844764 179355643 /nfs/dbraw/zinc/35/56/43/179355643.db2.gz WSVWOTOZQVPJKD-CYBMUJFWSA-N 2 1 267.442 2.458 10 0 CEAEMP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccc(CCO)c1 ZINC000616624489 348538774 /nfs/dbraw/zinc/53/87/74/348538774.db2.gz OWJFIJLPEQMRDI-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccc(CCO)c1 ZINC000616624489 348538778 /nfs/dbraw/zinc/53/87/78/348538778.db2.gz OWJFIJLPEQMRDI-MRXNPFEDSA-N 2 1 262.397 2.097 10 0 CEAEMP CC(C)C[C@H](C[NH3+])CC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000088290932 179575869 /nfs/dbraw/zinc/57/58/69/179575869.db2.gz UUONSIAQJFTUCL-CVEARBPZSA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)C[C@H](C[NH3+])CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000088290932 179575870 /nfs/dbraw/zinc/57/58/70/179575870.db2.gz UUONSIAQJFTUCL-CVEARBPZSA-N 2 1 267.461 2.168 10 0 CEAEMP C[N@H+](CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112290 179707420 /nfs/dbraw/zinc/70/74/20/179707420.db2.gz RZTWGQDXTCVZKL-HZPDHXFCSA-N 2 1 293.455 2.052 10 0 CEAEMP C[N@@H+](CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112290 179707422 /nfs/dbraw/zinc/70/74/22/179707422.db2.gz RZTWGQDXTCVZKL-HZPDHXFCSA-N 2 1 293.455 2.052 10 0 CEAEMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414585 233178208 /nfs/dbraw/zinc/17/82/08/233178208.db2.gz VADMUNJMIUQYEA-CWLKWCNXSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414585 233178213 /nfs/dbraw/zinc/17/82/13/233178213.db2.gz VADMUNJMIUQYEA-CWLKWCNXSA-N 2 1 287.451 2.237 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693877 180026273 /nfs/dbraw/zinc/02/62/73/180026273.db2.gz OXDVUAOTVURUKU-CAOSSQGBSA-N 2 1 295.471 2.144 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693877 180026275 /nfs/dbraw/zinc/02/62/75/180026275.db2.gz OXDVUAOTVURUKU-CAOSSQGBSA-N 2 1 295.471 2.144 10 0 CEAEMP FC(F)(F)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693760 180026322 /nfs/dbraw/zinc/02/63/22/180026322.db2.gz DYULCKHSYRCGHF-GHMZBOCLSA-N 2 1 250.308 2.403 10 0 CEAEMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC000090773340 180038564 /nfs/dbraw/zinc/03/85/64/180038564.db2.gz CZIJCTIAFXAMQQ-HUUCEWRRSA-N 2 1 256.434 2.367 10 0 CEAEMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC000090773340 180038566 /nfs/dbraw/zinc/03/85/66/180038566.db2.gz CZIJCTIAFXAMQQ-HUUCEWRRSA-N 2 1 256.434 2.367 10 0 CEAEMP [NH3+]CC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090891815 180053551 /nfs/dbraw/zinc/05/35/51/180053551.db2.gz KDPWCZSAHDCXLV-OAHLLOKOSA-N 2 1 278.371 2.333 10 0 CEAEMP [NH3+]CC[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090891815 180053554 /nfs/dbraw/zinc/05/35/54/180053554.db2.gz KDPWCZSAHDCXLV-OAHLLOKOSA-N 2 1 278.371 2.333 10 0 CEAEMP CC[C@H]1CCC[N@@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958054 180075091 /nfs/dbraw/zinc/07/50/91/180075091.db2.gz DPKQGSQEPRBVHO-NSHDSACASA-N 2 1 253.415 2.266 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2N)C1 ZINC000090960382 180075615 /nfs/dbraw/zinc/07/56/15/180075615.db2.gz AXBZZJDWWLNVRB-NSHDSACASA-N 2 1 253.415 2.150 10 0 CEAEMP C[C@H](c1cccs1)[N@@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091313901 180132572 /nfs/dbraw/zinc/13/25/72/180132572.db2.gz OMCJZCBYQFCZQU-VXGBXAGGSA-N 2 1 254.399 2.119 10 0 CEAEMP C[N@H+](CCc1ccccc1)CC[C@H]1CSCC[NH2+]1 ZINC000091292363 180123616 /nfs/dbraw/zinc/12/36/16/180123616.db2.gz NDAKKAVIUWBLFW-HNNXBMFYSA-N 2 1 264.438 2.256 10 0 CEAEMP C[NH2+][C@H](CC[N@@H+](C)CC1CC(O)C1)c1ccc(C)cc1 ZINC000091499470 180173913 /nfs/dbraw/zinc/17/39/13/180173913.db2.gz UEDKVJBGJNDWKY-BDVYOWHSSA-N 2 1 276.424 2.348 10 0 CEAEMP CC(C)C[C@H](C[NH3+])CC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091395605 180146414 /nfs/dbraw/zinc/14/64/14/180146414.db2.gz NKSNVKXYKZVQKL-CABCVRRESA-N 2 1 255.450 2.024 10 0 CEAEMP CC(C)C[C@H](C[NH3+])CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091395605 180146416 /nfs/dbraw/zinc/14/64/16/180146416.db2.gz NKSNVKXYKZVQKL-CABCVRRESA-N 2 1 255.450 2.024 10 0 CEAEMP CCCC[N@@H+](CCO)CC(C)(C)[C@@H](C)[NH2+]CCC ZINC000091403457 180147078 /nfs/dbraw/zinc/14/70/78/180147078.db2.gz HPSRUIYQRICVLE-CQSZACIVSA-N 2 1 258.450 2.495 10 0 CEAEMP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)CC1CC(O)C1 ZINC000091405569 180147156 /nfs/dbraw/zinc/14/71/56/180147156.db2.gz HNNPGDFRHLAWII-IYXRBSQSSA-N 2 1 256.434 2.103 10 0 CEAEMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000624122337 350200048 /nfs/dbraw/zinc/20/00/48/350200048.db2.gz ONUQCDANPQBGFG-TUVASFSCSA-N 2 1 266.429 2.121 10 0 CEAEMP CC[C@](C)([C@H](Cc1csc(C)n1)[NH2+]C)[NH+](C)C ZINC000091570615 180195910 /nfs/dbraw/zinc/19/59/10/180195910.db2.gz HHXMJNURGVSMAK-QWHCGFSZSA-N 2 1 255.431 2.312 10 0 CEAEMP CCC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@](C)(CC)N(C)C ZINC000091571798 180196238 /nfs/dbraw/zinc/19/62/38/180196238.db2.gz HXEBXYUBJYJXQB-HOTGVXAUSA-N 2 1 278.444 2.305 10 0 CEAEMP CCC[NH2+][C@H](Cc1cccnc1N)[C@](C)(CC)[NH+](C)C ZINC000091571903 180196400 /nfs/dbraw/zinc/19/64/00/180196400.db2.gz SETHQHPQJOAKDT-ZBFHGGJFSA-N 2 1 278.444 2.305 10 0 CEAEMP CC[C@@](C)([C@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606347 180203917 /nfs/dbraw/zinc/20/39/17/180203917.db2.gz FJLBMOWLXNOODC-HOCLYGCPSA-N 2 1 276.428 2.059 10 0 CEAEMP CCc1nn(CC)c(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)c1Cl ZINC000091528508 180180769 /nfs/dbraw/zinc/18/07/69/180180769.db2.gz MUTIVDPBUQXNBV-GFCCVEGCSA-N 2 1 286.851 2.329 10 0 CEAEMP CC(C)n1ccc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)n1 ZINC000091534143 180181605 /nfs/dbraw/zinc/18/16/05/180181605.db2.gz WPGRXIPIKYBJCS-AWEZNQCLSA-N 2 1 264.417 2.208 10 0 CEAEMP CCn1nc(C)cc1C[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 ZINC000091534699 180182035 /nfs/dbraw/zinc/18/20/35/180182035.db2.gz FOOXXFYHGJKPHX-OAHLLOKOSA-N 2 1 278.444 2.216 10 0 CEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542337 180184433 /nfs/dbraw/zinc/18/44/33/180184433.db2.gz FRGZZLIOAJEFFD-HOTGVXAUSA-N 2 1 295.471 2.084 10 0 CEAEMP CCC[NH2+][C@H](CC[NH+](CC)CC)c1cncnc1 ZINC000091716761 180232106 /nfs/dbraw/zinc/23/21/06/180232106.db2.gz PECHRNVRGWHIQZ-CQSZACIVSA-N 2 1 250.390 2.249 10 0 CEAEMP Cc1cc(C)c(C[C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720569 180236520 /nfs/dbraw/zinc/23/65/20/180236520.db2.gz CUOIDXFBKBRMEI-NJAFHUGGSA-N 2 1 288.435 2.345 10 0 CEAEMP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847943 180270945 /nfs/dbraw/zinc/27/09/45/180270945.db2.gz JFDNHORTZOVSRG-DNOWBOINSA-N 2 1 275.396 2.215 10 0 CEAEMP CC[N@@H+](CC(=O)N1CCCCCCC1)C1CCC([NH3+])CC1 ZINC000091850769 180271699 /nfs/dbraw/zinc/27/16/99/180271699.db2.gz KNSPVGLYYHJIFG-UHFFFAOYSA-N 2 1 295.471 2.371 10 0 CEAEMP CC[N@@H+](CC(=O)N(C)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850954 180271807 /nfs/dbraw/zinc/27/18/07/180271807.db2.gz XXRSXDFFJDRKPT-UHFFFAOYSA-N 2 1 289.423 2.241 10 0 CEAEMP CC[N@@H+](Cc1nnc(C(C)(C)C)o1)C1CCC([NH3+])CC1 ZINC000091851072 180272160 /nfs/dbraw/zinc/27/21/60/180272160.db2.gz OAXVQVGGOCVUON-UHFFFAOYSA-N 2 1 280.416 2.459 10 0 CEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091870440 180276981 /nfs/dbraw/zinc/27/69/81/180276981.db2.gz IMYSCJBPDSXWJG-HSBZDZAISA-N 2 1 283.460 2.142 10 0 CEAEMP CCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC([NH2+]CC)CC1 ZINC000091870374 180277205 /nfs/dbraw/zinc/27/72/05/180277205.db2.gz QLFBXZAOBBUANX-NFOMZHRRSA-N 2 1 283.460 2.144 10 0 CEAEMP CCC[NH2+]C1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000091870028 180277565 /nfs/dbraw/zinc/27/75/65/180277565.db2.gz IOKYXXHRQIWJPW-NRXISQOPSA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)Cc2nccn2C(F)F)CC1 ZINC000091872711 180278007 /nfs/dbraw/zinc/27/80/07/180278007.db2.gz AKZCHRROGYUTHA-UHFFFAOYSA-N 2 1 272.343 2.241 10 0 CEAEMP CC[N@@H+]1CCO[C@H](COc2ccc(CC[C@@H](C)[NH3+])cc2)C1 ZINC000092050965 180311874 /nfs/dbraw/zinc/31/18/74/180311874.db2.gz YGITWIMOLNRMAW-PBHICJAKSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[N@H+]1CCO[C@H](COc2ccc(CC[C@@H](C)[NH3+])cc2)C1 ZINC000092050965 180311876 /nfs/dbraw/zinc/31/18/76/180311876.db2.gz YGITWIMOLNRMAW-PBHICJAKSA-N 2 1 292.423 2.066 10 0 CEAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1nc(C)ccc1O ZINC000091996172 180302081 /nfs/dbraw/zinc/30/20/81/180302081.db2.gz KKLJZNKLHYICGB-CYBMUJFWSA-N 2 1 263.385 2.060 10 0 CEAEMP CCC[NH2+]Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003300 180304407 /nfs/dbraw/zinc/30/44/07/180304407.db2.gz CCNMAEPMPVTIDT-CVEARBPZSA-N 2 1 288.439 2.254 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C)[C@H](C)C2)O1 ZINC000092089409 180321380 /nfs/dbraw/zinc/32/13/80/180321380.db2.gz MSWOFCGFFQGESM-LJISPDSOSA-N 2 1 254.418 2.121 10 0 CEAEMP COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](n1cc[nH+]c1C)CC2 ZINC000092386062 180373804 /nfs/dbraw/zinc/37/38/04/180373804.db2.gz HNCKXJPVBWPNSY-LSDHHAIUSA-N 2 1 257.337 2.387 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)cc1C[NH3+] ZINC000092623879 180416748 /nfs/dbraw/zinc/41/67/48/180416748.db2.gz HATQEXMXLQTOPZ-MRXNPFEDSA-N 2 1 279.403 2.201 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000092627469 180419667 /nfs/dbraw/zinc/41/96/67/180419667.db2.gz BUVTZUMAVGFZSE-OWCLPIDISA-N 2 1 267.461 2.453 10 0 CEAEMP C[NH2+]C1(CCN(C)C[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000092633239 180423194 /nfs/dbraw/zinc/42/31/94/180423194.db2.gz ZOZOTMWUXHNFDW-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP Cc1ccc(F)cc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110649846 186310068 /nfs/dbraw/zinc/31/00/68/186310068.db2.gz XVPCGNHEEGDFAF-GFCCVEGCSA-N 2 1 293.386 2.132 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2ccc(C)c(F)c2)C[C@@H]1C ZINC000110977977 186339270 /nfs/dbraw/zinc/33/92/70/186339270.db2.gz MLTWVRPDBIJUNS-BBRMVZONSA-N 2 1 279.403 2.160 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704888 186314205 /nfs/dbraw/zinc/31/42/05/186314205.db2.gz HEQGVQNTZNOXFU-UKRRQHHQSA-N 2 1 261.413 2.101 10 0 CEAEMP CCCCCC[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110712112 186315590 /nfs/dbraw/zinc/31/55/90/186315590.db2.gz ZQAGQVNBOOLQBW-CQSZACIVSA-N 2 1 255.450 2.310 10 0 CEAEMP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711742 186316651 /nfs/dbraw/zinc/31/66/51/186316651.db2.gz NSPSFPRERFUEAK-GOEBONIOSA-N 2 1 275.440 2.143 10 0 CEAEMP COc1ccc([C@H]([NH3+])[C@H](C)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716422 186316677 /nfs/dbraw/zinc/31/66/77/186316677.db2.gz PYIZHRHZGNQCAF-XJKSGUPXSA-N 2 1 291.439 2.110 10 0 CEAEMP CC[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000110741934 186319183 /nfs/dbraw/zinc/31/91/83/186319183.db2.gz XKEKXHBWXXRLOS-CVEARBPZSA-N 2 1 289.423 2.019 10 0 CEAEMP CC[C@H]1CN(CC2(C[NH2+]C3CC3)CCCC2)CC[N@H+]1C ZINC000110746386 186319531 /nfs/dbraw/zinc/31/95/31/186319531.db2.gz ZKHZMXXTDCTQHA-INIZCTEOSA-N 2 1 279.472 2.325 10 0 CEAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754731 186321088 /nfs/dbraw/zinc/32/10/88/186321088.db2.gz XMICHEULSOIYQD-OAHLLOKOSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1CN(Cc2ccoc2C[NH2+]C(C)C)CC[N@H+]1C ZINC000110753876 186322175 /nfs/dbraw/zinc/32/21/75/186322175.db2.gz HHGCIECONXGVCY-OAHLLOKOSA-N 2 1 279.428 2.304 10 0 CEAEMP CC[N@H+]1CCN([C@@H](C)C[NH2+]CCC(C)C)C[C@@H]1C ZINC000110756766 186322257 /nfs/dbraw/zinc/32/22/57/186322257.db2.gz LWTNPLUCDYTOTA-GJZGRUSLSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@H]([NH3+])c1cccc(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110770455 186323703 /nfs/dbraw/zinc/32/37/03/186323703.db2.gz UZKIXDFCQXEFPW-LBPRGKRZSA-N 2 1 290.411 2.264 10 0 CEAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)CC2CCOCC2)C1 ZINC000111157489 186362238 /nfs/dbraw/zinc/36/22/38/186362238.db2.gz KRZBTKLBNJQNDQ-BPLDGKMQSA-N 2 1 254.418 2.108 10 0 CEAEMP CCC[NH2+][C@H](C)CCCC[N@@H+](C)CCC[NH+](C)C ZINC000111135656 186357890 /nfs/dbraw/zinc/35/78/90/186357890.db2.gz WNURLQJTUKBFNE-OAHLLOKOSA-N 3 1 257.466 2.428 10 0 CEAEMP CCC[NH2+][C@H](C)CCCC[N@H+](C)CCCN(C)C ZINC000111135656 186357892 /nfs/dbraw/zinc/35/78/92/186357892.db2.gz WNURLQJTUKBFNE-OAHLLOKOSA-N 2 1 257.466 2.428 10 0 CEAEMP CCC[NH2+][C@H](C)CCCC[N@@H+](C)CCCN(C)C ZINC000111135656 186357893 /nfs/dbraw/zinc/35/78/93/186357893.db2.gz WNURLQJTUKBFNE-OAHLLOKOSA-N 2 1 257.466 2.428 10 0 CEAEMP CC(C)[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000111144004 186359050 /nfs/dbraw/zinc/35/90/50/186359050.db2.gz WKOXUNIHNCFCPG-RBSFLKMASA-N 2 1 256.434 2.056 10 0 CEAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174820 186364668 /nfs/dbraw/zinc/36/46/68/186364668.db2.gz FZRXDYQDNYCOGY-KGLIPLIRSA-N 2 1 256.434 2.369 10 0 CEAEMP CO[C@H]1C[N@@H+](CCC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630359952 351711275 /nfs/dbraw/zinc/71/12/75/351711275.db2.gz NVZOZTPOCDHLIC-HUUCEWRRSA-N 2 1 254.418 2.395 10 0 CEAEMP CO[C@@H]1C[N@@H+](CCC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630359954 351711723 /nfs/dbraw/zinc/71/17/23/351711723.db2.gz NVZOZTPOCDHLIC-LSDHHAIUSA-N 2 1 254.418 2.395 10 0 CEAEMP CCC[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[NH+](C)C ZINC000162402321 188571528 /nfs/dbraw/zinc/57/15/28/188571528.db2.gz YPBGFIUXEFAXQR-AWEZNQCLSA-N 2 1 292.427 2.039 10 0 CEAEMP COc1cccc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+](C)C)c1 ZINC000133525657 366232779 /nfs/dbraw/zinc/23/27/79/366232779.db2.gz KIJGKXHYORIQLE-WBVHZDCISA-N 2 1 291.439 2.030 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000178297444 189103817 /nfs/dbraw/zinc/10/38/17/189103817.db2.gz LGVAARNILLXFOJ-AWEZNQCLSA-N 2 1 293.411 2.388 10 0 CEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)OC(C)(C)C ZINC000178297444 189103818 /nfs/dbraw/zinc/10/38/18/189103818.db2.gz LGVAARNILLXFOJ-AWEZNQCLSA-N 2 1 293.411 2.388 10 0 CEAEMP CCC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000161738460 367108873 /nfs/dbraw/zinc/10/88/73/367108873.db2.gz RZZXATWOLXFRFF-GJZGRUSLSA-N 2 1 297.487 2.343 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000245437225 370819915 /nfs/dbraw/zinc/81/99/15/370819915.db2.gz WHZLLCWFNSVMDB-JKSUJKDBSA-N 2 1 295.471 2.194 10 0 CEAEMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631841914 367582663 /nfs/dbraw/zinc/58/26/63/367582663.db2.gz RQKKXOAHVCSUQG-NWDGAFQWSA-N 2 1 295.814 2.195 10 0 CEAEMP CSCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434071 367743460 /nfs/dbraw/zinc/74/34/60/367743460.db2.gz JHEGFEVVHPYMDD-ZDUSSCGKSA-N 2 1 265.426 2.487 10 0 CEAEMP CSCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434071 367743465 /nfs/dbraw/zinc/74/34/65/367743465.db2.gz JHEGFEVVHPYMDD-ZDUSSCGKSA-N 2 1 265.426 2.487 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000247480859 371114816 /nfs/dbraw/zinc/11/48/16/371114816.db2.gz SQTNRICLTRVFLI-HIFRSBDPSA-N 2 1 289.423 2.376 10 0 CEAEMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000247480859 371114817 /nfs/dbraw/zinc/11/48/17/371114817.db2.gz SQTNRICLTRVFLI-HIFRSBDPSA-N 2 1 289.423 2.376 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249570537 371338952 /nfs/dbraw/zinc/33/89/52/371338952.db2.gz OEAPCVKAMAFOJO-XHSDSOJGSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249570537 371338957 /nfs/dbraw/zinc/33/89/57/371338957.db2.gz OEAPCVKAMAFOJO-XHSDSOJGSA-N 2 1 294.464 2.240 10 0 CEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249570537 371338963 /nfs/dbraw/zinc/33/89/63/371338963.db2.gz OEAPCVKAMAFOJO-XHSDSOJGSA-N 2 1 294.464 2.240 10 0 CEAEMP COCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261584688 371662620 /nfs/dbraw/zinc/66/26/20/371662620.db2.gz HXTSQLUYRXUONQ-HRCADAONSA-N 2 1 260.381 2.002 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@H]12 ZINC000261658563 371694377 /nfs/dbraw/zinc/69/43/77/371694377.db2.gz YWERCUJDMZJNLB-BYCMXARLSA-N 2 1 280.799 2.388 10 0 CEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261914404 371768227 /nfs/dbraw/zinc/76/82/27/371768227.db2.gz JMOKPTUGAWVVNG-GVDBMIGSSA-N 2 1 292.398 2.115 10 0 CEAEMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000261925457 371773355 /nfs/dbraw/zinc/77/33/55/371773355.db2.gz CBKAFCSPQMYMTL-DOTOQJQBSA-N 2 1 289.467 2.424 10 0 CEAEMP COc1ccc([C@@H](C)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262044572 371810474 /nfs/dbraw/zinc/81/04/74/371810474.db2.gz PNWHHDZNPQQOIH-WMLDXEAASA-N 2 1 274.408 2.484 10 0 CEAEMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1C[NH2+]C1 ZINC000643480611 373148528 /nfs/dbraw/zinc/14/85/28/373148528.db2.gz GPQVXKXYHCEWMV-OYSPMZIOSA-N 2 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1C[NH2+]C1 ZINC000643480611 373148538 /nfs/dbraw/zinc/14/85/38/373148538.db2.gz GPQVXKXYHCEWMV-OYSPMZIOSA-N 3 1 299.462 2.095 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1C[NH2+]C1 ZINC000643480611 373148544 /nfs/dbraw/zinc/14/85/44/373148544.db2.gz GPQVXKXYHCEWMV-OYSPMZIOSA-N 3 1 299.462 2.095 10 0 CEAEMP c1ccc(C[N@@H+]2CCCC[C@@H]2CNC2CC[NH2+]CC2)cc1 ZINC000379618823 375154724 /nfs/dbraw/zinc/15/47/24/375154724.db2.gz AQXXASLAFGHKIR-GOSISDBHSA-N 2 1 287.451 2.383 10 0 CEAEMP c1ccc(CN2CCCC[C@@H]2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000379618823 375154728 /nfs/dbraw/zinc/15/47/28/375154728.db2.gz AQXXASLAFGHKIR-GOSISDBHSA-N 2 1 287.451 2.383 10 0 CEAEMP C[C@H]1[C@H](N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000307209510 376560908 /nfs/dbraw/zinc/56/09/08/376560908.db2.gz KGLKETYHLXVLFU-CYGHRXIMSA-N 2 1 287.451 2.319 10 0 CEAEMP CCC[N@H+](CCN(C)C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 ZINC000093069782 184646041 /nfs/dbraw/zinc/64/60/41/184646041.db2.gz MZRZPIZITWDUBE-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP CCC[N@@H+](CCN(C)C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 ZINC000093069782 184646042 /nfs/dbraw/zinc/64/60/42/184646042.db2.gz MZRZPIZITWDUBE-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094443468 184801358 /nfs/dbraw/zinc/80/13/58/184801358.db2.gz KMMXDZGUZGGUOS-CVEARBPZSA-N 2 1 267.461 2.179 10 0 CEAEMP C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093068437 135079180 /nfs/dbraw/zinc/07/91/80/135079180.db2.gz PRYFMRXYUCMSHF-HOTGVXAUSA-N 2 1 275.440 2.361 10 0 CEAEMP CC[NH2+]Cc1ccnc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000094443269 135088586 /nfs/dbraw/zinc/08/85/86/135088586.db2.gz CDSDCCZCGPVAAF-GOEBONIOSA-N 2 1 288.439 2.254 10 0 CEAEMP C[C@@H]([NH3+])CC[NH2+]Cc1cc(Br)ccc1F ZINC000258854270 394599049 /nfs/dbraw/zinc/59/90/49/394599049.db2.gz XUQICQFMQZIZJV-MRVPVSSYSA-N 2 1 275.165 2.415 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)C[C@H]12 ZINC000394502014 400549750 /nfs/dbraw/zinc/54/97/50/400549750.db2.gz RCESKRBSDBLXHU-MROQNXINSA-N 2 1 258.356 2.481 10 0 CEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCc1ccccn1 ZINC000037491935 173232818 /nfs/dbraw/zinc/23/28/18/173232818.db2.gz TYGSOUYEPZSKSX-HNNXBMFYSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[N@H+](Cc1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747536 174392883 /nfs/dbraw/zinc/39/28/83/174392883.db2.gz AWGKCSKVMAGYEN-PBWFPOADSA-N 2 1 263.385 2.396 10 0 CEAEMP CC[N@@H+](Cc1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747536 174392886 /nfs/dbraw/zinc/39/28/86/174392886.db2.gz AWGKCSKVMAGYEN-PBWFPOADSA-N 2 1 263.385 2.396 10 0 CEAEMP C[C@@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000040767732 174398089 /nfs/dbraw/zinc/39/80/89/174398089.db2.gz NRKUNMSHTOQDIK-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP CC(C)[N@@H+](CCOc1ccc(C(N)=[NH2+])cc1)CC1CC1 ZINC000042584244 174807339 /nfs/dbraw/zinc/80/73/39/174807339.db2.gz VAPXSBYEXSCHLP-UHFFFAOYSA-N 2 1 275.396 2.470 10 0 CEAEMP COCC[N@@H+](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)C1CC1 ZINC000042680002 174834566 /nfs/dbraw/zinc/83/45/66/174834566.db2.gz XLVXATAQBSNYPM-LBPRGKRZSA-N 2 1 275.396 2.218 10 0 CEAEMP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818166 175112858 /nfs/dbraw/zinc/11/28/58/175112858.db2.gz ZUNHYLLFXFACMM-DOTOQJQBSA-N 2 1 275.440 2.282 10 0 CEAEMP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818306 175112966 /nfs/dbraw/zinc/11/29/66/175112966.db2.gz ZQCAMCNAHSJPHR-WBVHZDCISA-N 2 1 275.440 2.363 10 0 CEAEMP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000043818164 175113000 /nfs/dbraw/zinc/11/30/00/175113000.db2.gz ZUNHYLLFXFACMM-WBVHZDCISA-N 2 1 275.440 2.282 10 0 CEAEMP CCOC1CC[NH+]([C@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000043906921 175122524 /nfs/dbraw/zinc/12/25/24/175122524.db2.gz ZSYZNJLOVUBNRS-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](CCCOC)CCOC ZINC000043970879 175132175 /nfs/dbraw/zinc/13/21/75/175132175.db2.gz VHBUWDMTJVWJHX-HZPDHXFCSA-N 2 1 286.460 2.282 10 0 CEAEMP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](CCCOC)CCOC ZINC000043970879 175132177 /nfs/dbraw/zinc/13/21/77/175132177.db2.gz VHBUWDMTJVWJHX-HZPDHXFCSA-N 2 1 286.460 2.282 10 0 CEAEMP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1cccc(C)c1 ZINC000045043388 175294713 /nfs/dbraw/zinc/29/47/13/175294713.db2.gz OFEKBJOVFDDRPK-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1cccc(C)c1 ZINC000045043388 175294715 /nfs/dbraw/zinc/29/47/15/175294715.db2.gz OFEKBJOVFDDRPK-OAHLLOKOSA-N 2 1 250.386 2.181 10 0 CEAEMP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045135561 175313631 /nfs/dbraw/zinc/31/36/31/175313631.db2.gz QINXHMZGLLUFKE-HNNXBMFYSA-N 2 1 297.487 2.378 10 0 CEAEMP C[C@](CC[N@@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(N)=O ZINC000045277434 175347796 /nfs/dbraw/zinc/34/77/96/175347796.db2.gz PAKGERMMIJTHTD-NVXWUHKLSA-N 2 1 293.455 2.027 10 0 CEAEMP C[C@](CC[N@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(N)=O ZINC000045277434 175347798 /nfs/dbraw/zinc/34/77/98/175347798.db2.gz PAKGERMMIJTHTD-NVXWUHKLSA-N 2 1 293.455 2.027 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367419 175362918 /nfs/dbraw/zinc/36/29/18/175362918.db2.gz RKICLWKYRYCKKU-GOEBONIOSA-N 2 1 283.460 2.275 10 0 CEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](C)C1CCCCC1 ZINC000045379126 175368426 /nfs/dbraw/zinc/36/84/26/175368426.db2.gz MIMOIIRZGVKNEP-HNNXBMFYSA-N 2 1 270.417 2.312 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379614 175368554 /nfs/dbraw/zinc/36/85/54/175368554.db2.gz IBLIUIHYCZUBQN-LZWOXQAQSA-N 2 1 283.460 2.273 10 0 CEAEMP C[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045379175 175368607 /nfs/dbraw/zinc/36/86/07/175368607.db2.gz IJQYQTMOLLSXDM-MRXNPFEDSA-N 2 1 281.444 2.027 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045380858 175369665 /nfs/dbraw/zinc/36/96/65/175369665.db2.gz CUMLESOZLSWXSE-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OC ZINC000045380858 175369666 /nfs/dbraw/zinc/36/96/66/175369666.db2.gz CUMLESOZLSWXSE-HNNXBMFYSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384859 175371744 /nfs/dbraw/zinc/37/17/44/175371744.db2.gz CURIYLLYLUIAHD-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384859 175371745 /nfs/dbraw/zinc/37/17/45/175371745.db2.gz CURIYLLYLUIAHD-HNNXBMFYSA-N 2 1 270.417 2.182 10 0 CEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000045421015 175380317 /nfs/dbraw/zinc/38/03/17/175380317.db2.gz LBIGAEWAWMJUHA-SWLSCSKDSA-N 2 1 272.433 2.414 10 0 CEAEMP CCCC[N@@H+](CCCC[C@@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045421744 175380535 /nfs/dbraw/zinc/38/05/35/175380535.db2.gz NAPYYWPYWAVCJS-MRXNPFEDSA-N 2 1 283.460 2.275 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000071141847 176040139 /nfs/dbraw/zinc/04/01/39/176040139.db2.gz ZHZLTPIINQHVLQ-QWHCGFSZSA-N 2 1 278.396 2.306 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000071141847 176040141 /nfs/dbraw/zinc/04/01/41/176040141.db2.gz ZHZLTPIINQHVLQ-QWHCGFSZSA-N 2 1 278.396 2.306 10 0 CEAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187948 176061959 /nfs/dbraw/zinc/06/19/59/176061959.db2.gz GRDVPNYWUIRVSP-ZMSDIMECSA-N 2 1 275.440 2.267 10 0 CEAEMP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188113 176062760 /nfs/dbraw/zinc/06/27/60/176062760.db2.gz XZXUBOSTVLIFFA-XJKCOSOUSA-N 2 1 279.403 2.098 10 0 CEAEMP CCC[C@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071188677 176063831 /nfs/dbraw/zinc/06/38/31/176063831.db2.gz HUGUSAZEXXQHID-ZJIFWQFVSA-N 2 1 267.461 2.166 10 0 CEAEMP C[C@H]([NH3+])c1cc(F)ccc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189390 176064342 /nfs/dbraw/zinc/06/43/42/176064342.db2.gz FVCZEYJARCIPLQ-NWDGAFQWSA-N 2 1 265.376 2.233 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189042 176064434 /nfs/dbraw/zinc/06/44/34/176064434.db2.gz QWZBNEVUBYEZBI-BZUAXINKSA-N 2 1 267.461 2.181 10 0 CEAEMP CCC[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071189015 176064610 /nfs/dbraw/zinc/06/46/10/176064610.db2.gz PTXCCHVEHBEJFK-HUUCEWRRSA-N 2 1 269.477 2.284 10 0 CEAEMP CC[C@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191995 176072347 /nfs/dbraw/zinc/07/23/47/176072347.db2.gz ZSAIXEUHQRQULU-ZIAGYGMSSA-N 2 1 255.450 2.037 10 0 CEAEMP Cc1oc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191949 176072477 /nfs/dbraw/zinc/07/24/77/176072477.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 2 1 293.455 2.470 10 0 CEAEMP CC[NH2+][C@@H]1CCN(CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000071198160 176077227 /nfs/dbraw/zinc/07/72/27/176077227.db2.gz FIJNFAPVUKNDQC-QGZVFWFLSA-N 2 1 275.440 2.192 10 0 CEAEMP CCOC(=O)CCCCC[NH2+][C@@H](C)C[NH+](CC)CC ZINC000071293995 176111914 /nfs/dbraw/zinc/11/19/14/176111914.db2.gz UFNSKRDDBFKDFL-AWEZNQCLSA-N 2 1 272.433 2.430 10 0 CEAEMP C[N@@H+](CCNC(=O)C1(C[NH3+])CCCCCC1)C1CCCC1 ZINC000071377508 176142842 /nfs/dbraw/zinc/14/28/42/176142842.db2.gz XYVFGWBGLQUBCW-UHFFFAOYSA-N 2 1 295.471 2.276 10 0 CEAEMP CC(C)[N@H+](C)CC1CCN(C(=O)CC[C@H](C)CC[NH3+])CC1 ZINC000079118839 177436917 /nfs/dbraw/zinc/43/69/17/177436917.db2.gz PFSWKPBHJFUUFB-HNNXBMFYSA-N 2 1 297.487 2.330 10 0 CEAEMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2c1cccc2O ZINC000296680538 277062131 /nfs/dbraw/zinc/06/21/31/277062131.db2.gz LJAOXRHXSPTWMT-DOMZBBRYSA-N 2 1 260.381 2.453 10 0 CEAEMP CCC[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000136099056 280057848 /nfs/dbraw/zinc/05/78/48/280057848.db2.gz YILRSVIEIFJHRT-JKSUJKDBSA-N 2 1 297.487 2.345 10 0 CEAEMP CCC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245518785 280246903 /nfs/dbraw/zinc/24/69/03/280246903.db2.gz RZZXATWOLXFRFF-HUUCEWRRSA-N 2 1 297.487 2.343 10 0 CEAEMP 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 280272579 /nfs/dbraw/zinc/27/25/79/280272579.db2.gz IHSGDPILJSBIKE-XUWVNRHRSA-N 2 1 297.487 2.340 10 0 CEAEMP CC(C)C[NH2+]CC[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515505 519743924 /nfs/dbraw/zinc/74/39/24/519743924.db2.gz ZYBPHAXOZLSGLA-OAHLLOKOSA-N 2 1 269.477 2.284 10 0 CEAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CCCOC)CCOC ZINC000052543278 519913346 /nfs/dbraw/zinc/91/33/46/519913346.db2.gz PAVBRNBSCVKUNX-OAHLLOKOSA-N 2 1 274.449 2.140 10 0 CEAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)C2CCCC2)O1 ZINC000052475579 519953009 /nfs/dbraw/zinc/95/30/09/519953009.db2.gz BQUCDHYAEYPMAF-LSDHHAIUSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571928 519959628 /nfs/dbraw/zinc/95/96/28/519959628.db2.gz FJERPSSNXGKSCW-AWEZNQCLSA-N 2 1 281.448 2.144 10 0 CEAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372895 519970024 /nfs/dbraw/zinc/97/00/24/519970024.db2.gz BKBCAQVADPUVPW-ZDUSSCGKSA-N 2 1 250.386 2.373 10 0 CEAEMP CC[NH2+]Cc1ccoc1COCC[C@H]1CCC[N@H+]1C ZINC000052673143 520013436 /nfs/dbraw/zinc/01/34/36/520013436.db2.gz PRXZSGMCFUOYIQ-CQSZACIVSA-N 2 1 266.385 2.390 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068646976 520038660 /nfs/dbraw/zinc/03/86/60/520038660.db2.gz NQUBRKKVRNCPHE-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+][C@@](C)(C[C@@H](C)[N@@H+](C)CC1CCCC1)C(N)=O ZINC000068646976 520038667 /nfs/dbraw/zinc/03/86/67/520038667.db2.gz NQUBRKKVRNCPHE-CJNGLKHVSA-N 2 1 283.460 2.131 10 0 CEAEMP CC[C@@H](C)N1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083583 522119256 /nfs/dbraw/zinc/11/92/56/522119256.db2.gz YNQSGYYAQZYHMM-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)C[C@H](C)[N@@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052571931 519310725 /nfs/dbraw/zinc/31/07/25/519310725.db2.gz PNEWZMFRMPEGJS-AWEZNQCLSA-N 2 1 281.448 2.143 10 0 CEAEMP CC(C)CN1CC[NH+]([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000055077566 519727508 /nfs/dbraw/zinc/72/75/08/519727508.db2.gz CBBJEKZAXYQOER-JKSUJKDBSA-N 2 1 267.461 2.168 10 0 CEAEMP CC(C)[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)C(N)=O ZINC000068648678 519740065 /nfs/dbraw/zinc/74/00/65/519740065.db2.gz JNWOPJWWLMBUKX-SWLSCSKDSA-N 2 1 280.416 2.200 10 0 CEAEMP CC(C)C[NH2+]CC[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515507 519744210 /nfs/dbraw/zinc/74/42/10/519744210.db2.gz ZYBPHAXOZLSGLA-HNNXBMFYSA-N 2 1 269.477 2.284 10 0 CEAEMP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)CC(C)C)O1 ZINC000052452835 519746477 /nfs/dbraw/zinc/74/64/77/519746477.db2.gz OKKAPYQLEPZWPI-HUUCEWRRSA-N 2 1 256.434 2.367 10 0 CEAEMP CCCN1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000052421718 519857708 /nfs/dbraw/zinc/85/77/08/519857708.db2.gz QAYOIESKFAEBPP-UHFFFAOYSA-N 2 1 255.450 2.182 10 0 CEAEMP CCCC1CC[NH+]([C@@H](C)C[C@](C)([NH2+]CC)C(N)=O)CC1 ZINC000068641787 519902711 /nfs/dbraw/zinc/90/27/11/519902711.db2.gz BGUGFVJGBPOTEM-BBRMVZONSA-N 2 1 283.460 2.131 10 0 CEAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCOC ZINC000054628879 519907364 /nfs/dbraw/zinc/90/73/64/519907364.db2.gz UQXKTZQXMSFBHX-GOOCMWNKSA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+]CC(C)(C)C[N@H+]1CCC[C@H]1CCCO ZINC000052763378 519908495 /nfs/dbraw/zinc/90/84/95/519908495.db2.gz OOFRBKWMOQAREP-AWEZNQCLSA-N 2 1 256.434 2.249 10 0 CEAEMP CCC[NH2+]CC1(C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180441 519911420 /nfs/dbraw/zinc/91/14/20/519911420.db2.gz YOAOXFNURSPEJX-CQSZACIVSA-N 2 1 254.418 2.267 10 0 CEAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180403 519912561 /nfs/dbraw/zinc/91/25/61/519912561.db2.gz AKUMMWIHVYKJSX-CQSZACIVSA-N 2 1 254.418 2.267 10 0 CEAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545307 519919905 /nfs/dbraw/zinc/91/99/05/519919905.db2.gz PODXPSUUXGPNCQ-KGLIPLIRSA-N 2 1 256.434 2.369 10 0 CEAEMP CCC[NH2+]C[C@@H]1CC[C@H](COCC[C@@H]2CCC[N@H+]2C)O1 ZINC000052673631 519927440 /nfs/dbraw/zinc/92/74/40/519927440.db2.gz VAWSIUHOWNFBBE-HRCADAONSA-N 2 1 284.444 2.035 10 0 CEAEMP CCC[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000052422467 519948145 /nfs/dbraw/zinc/94/81/45/519948145.db2.gz NTLZAZISYLOOLW-UHFFFAOYSA-N 2 1 275.440 2.324 10 0 CEAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](CCCOC)CCOC ZINC000052543231 519960404 /nfs/dbraw/zinc/96/04/04/519960404.db2.gz XCMPLAOWGTUPLF-UHFFFAOYSA-N 2 1 298.427 2.264 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@@H+](C)[C@H](C)COC)cc1 ZINC000052511661 519999276 /nfs/dbraw/zinc/99/92/76/519999276.db2.gz GXZHEXCUKMSGCC-CQSZACIVSA-N 2 1 280.412 2.142 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570882 520013855 /nfs/dbraw/zinc/01/38/55/520013855.db2.gz PAJKNDUADIEDEW-JSGCOSHPSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1ccoc1C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570882 520013861 /nfs/dbraw/zinc/01/38/61/520013861.db2.gz PAJKNDUADIEDEW-JSGCOSHPSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543481 520031204 /nfs/dbraw/zinc/03/12/04/520031204.db2.gz DVVVVSXMYYRYNP-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+]Cc1occc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543481 520031214 /nfs/dbraw/zinc/03/12/14/520031214.db2.gz DVVVVSXMYYRYNP-LBPRGKRZSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627065 520144427 /nfs/dbraw/zinc/14/44/27/520144427.db2.gz DVBZJHZILFWJEG-MPTYRVRUSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@@](C)(C[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627065 520144433 /nfs/dbraw/zinc/14/44/33/520144433.db2.gz DVBZJHZILFWJEG-MPTYRVRUSA-N 2 1 295.471 2.131 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637480 520238319 /nfs/dbraw/zinc/23/83/19/520238319.db2.gz WHLXKHOOGPHOIQ-NQKKVCCDSA-N 2 1 283.460 2.129 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[N@@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637480 520238325 /nfs/dbraw/zinc/23/83/25/520238325.db2.gz WHLXKHOOGPHOIQ-NQKKVCCDSA-N 2 1 283.460 2.129 10 0 CEAEMP CCO[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C)c2)C1 ZINC000052372121 520320488 /nfs/dbraw/zinc/32/04/88/520320488.db2.gz CBRPKGWGTHQZRF-MRXNPFEDSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[N@@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)C)CCOC1 ZINC000069239953 520957576 /nfs/dbraw/zinc/95/75/76/520957576.db2.gz FVDPHRDUQZMSOC-HNNXBMFYSA-N 2 1 254.418 2.123 10 0 CEAEMP CC[N@@H+](Cc1cc(C)c(C[NH2+]C)o1)[C@@H](C)COC ZINC000052505149 521286268 /nfs/dbraw/zinc/28/62/68/521286268.db2.gz FOKVPOQRJDVLBL-LBPRGKRZSA-N 2 1 254.374 2.164 10 0 CEAEMP CC[N@@H+](Cc1ccoc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052504835 521424263 /nfs/dbraw/zinc/42/42/63/521424263.db2.gz IQRBZTDHBQQRHQ-GFCCVEGCSA-N 2 1 266.385 2.388 10 0 CEAEMP CC[N@H+](Cc1ccoc1C[NH2+]C)Cc1ccncc1 ZINC000052514963 521425173 /nfs/dbraw/zinc/42/51/73/521425173.db2.gz YMZZFWPNSCXURO-UHFFFAOYSA-N 2 1 259.353 2.416 10 0 CEAEMP CC[N@@H+](Cc1ccoc1C[NH2+]C)Cc1ccncc1 ZINC000052514963 521425185 /nfs/dbraw/zinc/42/51/85/521425185.db2.gz YMZZFWPNSCXURO-UHFFFAOYSA-N 2 1 259.353 2.416 10 0 CEAEMP CCC[N@@H+](CCC[NH3+])CCCOCC(F)(F)F ZINC000049312077 521652904 /nfs/dbraw/zinc/65/29/04/521652904.db2.gz OELRRZXAGOGACK-UHFFFAOYSA-N 2 1 256.312 2.016 10 0 CEAEMP CC[N@@H+]1CCc2nc(C[NH2+]CC(C)C)sc2C1 ZINC000061799578 521724480 /nfs/dbraw/zinc/72/44/80/521724480.db2.gz CSULIQRNNUWNKJ-UHFFFAOYSA-N 2 1 253.415 2.267 10 0 CEAEMP CC[N@H+]1CCc2nc(C[NH2+]CC(C)C)sc2C1 ZINC000061799578 521724481 /nfs/dbraw/zinc/72/44/81/521724481.db2.gz CSULIQRNNUWNKJ-UHFFFAOYSA-N 2 1 253.415 2.267 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000070283969 522055777 /nfs/dbraw/zinc/05/57/77/522055777.db2.gz HAEGIQBJFLXMNG-XJKSGUPXSA-N 2 1 260.381 2.440 10 0 CEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000070283969 522055791 /nfs/dbraw/zinc/05/57/91/522055791.db2.gz HAEGIQBJFLXMNG-XJKSGUPXSA-N 2 1 260.381 2.440 10 0 CEAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)O1 ZINC000052346044 522092962 /nfs/dbraw/zinc/09/29/62/522092962.db2.gz WBSKMMQJSNDPEF-CVEARBPZSA-N 2 1 262.397 2.194 10 0 CEAEMP C[NH2+][C@@H](C)C[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000068654198 522323163 /nfs/dbraw/zinc/32/31/63/522323163.db2.gz ZLYYXXHVOSKNEC-GJZGRUSLSA-N 2 1 291.439 2.204 10 0 CEAEMP C[NH2+][C@H](C)CCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062979515 522439490 /nfs/dbraw/zinc/43/94/90/522439490.db2.gz BZLGGNVUSRFINK-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+][C@H](C)CCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979515 522439497 /nfs/dbraw/zinc/43/94/97/522439497.db2.gz BZLGGNVUSRFINK-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP COC1CC[NH+]([C@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052455064 522706683 /nfs/dbraw/zinc/70/66/83/522706683.db2.gz IOSKLMUAUDFNEJ-OAHLLOKOSA-N 2 1 256.434 2.367 10 0 CEAEMP C[N@@H+](CCC[C@@H]1CCCC[NH2+]1)CCc1ccncc1 ZINC000050952806 522786375 /nfs/dbraw/zinc/78/63/75/522786375.db2.gz ZLDBWUWLTAILHI-INIZCTEOSA-N 2 1 261.413 2.478 10 0 CEAEMP CC[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000061675034 523166260 /nfs/dbraw/zinc/16/62/60/523166260.db2.gz CJHMVOQBRHHAEN-AWEZNQCLSA-N 2 1 276.380 2.379 10 0 CEAEMP CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000061675034 523166269 /nfs/dbraw/zinc/16/62/69/523166269.db2.gz CJHMVOQBRHHAEN-AWEZNQCLSA-N 2 1 276.380 2.379 10 0 CEAEMP COCCC[N@@H+](CCOC)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052543239 523256319 /nfs/dbraw/zinc/25/63/19/523256319.db2.gz YAYBQGBEMQYVAC-UHFFFAOYSA-N 2 1 298.427 2.263 10 0 CEAEMP COCCC[N@H+](CCOC)[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052543177 523258520 /nfs/dbraw/zinc/25/85/20/523258520.db2.gz SYFLDGXIJYLZJB-MRXNPFEDSA-N 2 1 288.476 2.242 10 0 CEAEMP COCCC[N@@H+](CCOC)[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052543177 523258528 /nfs/dbraw/zinc/25/85/28/523258528.db2.gz SYFLDGXIJYLZJB-MRXNPFEDSA-N 2 1 288.476 2.242 10 0 CEAEMP CC[C@@H]1C[NH2+][C@H](C)CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068697251 523487982 /nfs/dbraw/zinc/48/79/82/523487982.db2.gz QAKNVMWUAGFIHS-TZMCWYRMSA-N 2 1 277.412 2.279 10 0 CEAEMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553680 524168467 /nfs/dbraw/zinc/16/84/67/524168467.db2.gz UKKJRTPWPIPLEA-NEPJUHHUSA-N 2 1 291.395 2.008 10 0 CEAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)CCc1ccccn1 ZINC000052423932 524458810 /nfs/dbraw/zinc/45/88/10/524458810.db2.gz TYEZNRZBRDIHTB-AWEZNQCLSA-N 2 1 261.413 2.477 10 0 CEAEMP C[C@H](C[NH2+]C(C)(C)C)CN1CCC(C[NH+](C)C)CC1 ZINC000052515267 524477884 /nfs/dbraw/zinc/47/78/84/524477884.db2.gz IWEJMVNUBAPTCS-CQSZACIVSA-N 2 1 269.477 2.284 10 0 CEAEMP C[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087183 524507393 /nfs/dbraw/zinc/50/73/93/524507393.db2.gz YWSQDKIISWPNOF-HIFRSBDPSA-N 2 1 260.381 2.064 10 0 CEAEMP Cc1cc(CN2CC[NH+](C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052379650 524693999 /nfs/dbraw/zinc/69/39/99/524693999.db2.gz YUXXXJNEGYFYER-UHFFFAOYSA-N 2 1 279.428 2.224 10 0 CEAEMP Cc1ccccc1C[N@H+](C)Cc1cccnc1C[NH3+] ZINC000061656585 525128398 /nfs/dbraw/zinc/12/83/98/525128398.db2.gz YRNFBGGSBMLTDO-UHFFFAOYSA-N 2 1 255.365 2.481 10 0 CEAEMP Cc1ccccc1[C@@H]([NH3+])CCN1CCC[N@H+](C)CC1 ZINC000054016442 525366309 /nfs/dbraw/zinc/36/63/09/525366309.db2.gz FDRKRGZRMPEAMU-INIZCTEOSA-N 2 1 261.413 2.022 10 0 CEAEMP Fc1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011822 526328733 /nfs/dbraw/zinc/32/87/33/526328733.db2.gz HQMBUVFCESVKRB-AWEZNQCLSA-N 2 1 262.372 2.442 10 0 CEAEMP c1cc(C[NH+]2CCN(C3CC3)CC2)ccc1C[NH2+]C1CC1 ZINC000052371383 526424816 /nfs/dbraw/zinc/42/48/16/526424816.db2.gz PDLFFDGIYCPXJV-UHFFFAOYSA-N 2 1 285.435 2.219 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573146 526771804 /nfs/dbraw/zinc/77/18/04/526771804.db2.gz RIKGMLUKQSUFQN-GJZGRUSLSA-N 2 1 264.369 2.190 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573146 526771812 /nfs/dbraw/zinc/77/18/12/526771812.db2.gz RIKGMLUKQSUFQN-GJZGRUSLSA-N 2 1 264.369 2.190 10 0 CEAEMP [NH3+]CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CCCO ZINC000055017723 527193463 /nfs/dbraw/zinc/19/34/63/527193463.db2.gz AMSZNBBBNSZFND-HZPDHXFCSA-N 2 1 262.397 2.313 10 0 CEAEMP Cc1nc2sccn2c1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049554054 527212178 /nfs/dbraw/zinc/21/21/78/527212178.db2.gz VFRFXTPPJBSJBL-SNVBAGLBSA-N 2 1 266.414 2.134 10 0 CEAEMP [NH3+]C[C@H]1CC[C@H](C[N@@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542057 527240371 /nfs/dbraw/zinc/24/03/71/527240371.db2.gz WGNCLXZGZHEWGX-ZIAGYGMSSA-N 2 1 266.410 2.219 10 0 CEAEMP [NH3+]Cc1cc(C[N@H+]2CCCc3ccccc3C2)ccn1 ZINC000068750556 527247431 /nfs/dbraw/zinc/24/74/31/527247431.db2.gz JBNZUWGWZPVALU-UHFFFAOYSA-N 2 1 267.376 2.489 10 0 CEAEMP Cc1[nH+]cn(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593725 527462793 /nfs/dbraw/zinc/46/27/93/527462793.db2.gz YXZWUPSHNJGJOU-ZIAGYGMSSA-N 2 1 265.401 2.436 10 0 CEAEMP CC(C)[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399018593 628768819 /nfs/dbraw/zinc/76/88/19/628768819.db2.gz GOWKFNGJQGLGHR-KRWDZBQOSA-N 2 1 276.424 2.430 10 0 CEAEMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)c(C)c1 ZINC000399111245 628776179 /nfs/dbraw/zinc/77/61/79/628776179.db2.gz ZITWFNKIGYTHCK-HNNXBMFYSA-N 2 1 276.424 2.411 10 0 CEAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]cc3Cl)C[C@H]21 ZINC000228552779 639642813 /nfs/dbraw/zinc/64/28/13/639642813.db2.gz BUUOTDGUJROTHQ-HOSYDEDBSA-N 2 1 251.761 2.299 10 0 CEAEMP CC1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252550217 641580001 /nfs/dbraw/zinc/58/00/01/641580001.db2.gz OKVUJQAYCWVBLD-SSHXOBKSSA-N 2 1 266.429 2.266 10 0 CEAEMP CC1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252550217 641580004 /nfs/dbraw/zinc/58/00/04/641580004.db2.gz OKVUJQAYCWVBLD-SSHXOBKSSA-N 2 1 266.429 2.266 10 0 CEAEMP OCC[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000399005929 539263023 /nfs/dbraw/zinc/26/30/23/539263023.db2.gz YCXUWGDYEPZMIG-UHFFFAOYSA-N 2 1 266.429 2.002 10 0 CEAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262336050 344654461 /nfs/dbraw/zinc/65/44/61/344654461.db2.gz ZEBGIMGNJSLKAE-OAGGEKHMSA-N 2 1 295.471 2.275 10 0 CEAEMP c1ccc(C[N@H+]2CCCN([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500165 344713900 /nfs/dbraw/zinc/71/39/00/344713900.db2.gz MSLPODGGGOHCRJ-SFHVURJKSA-N 2 1 287.451 2.336 10 0 CEAEMP c1ccc(CN2CCC[N@H+]([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500165 344713904 /nfs/dbraw/zinc/71/39/04/344713904.db2.gz MSLPODGGGOHCRJ-SFHVURJKSA-N 2 1 287.451 2.336 10 0 CEAEMP C[NH2+][C@](C)(CO)CCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000085261705 178991530 /nfs/dbraw/zinc/99/15/30/178991530.db2.gz ZBAOJFIPXJTCNQ-CVEARBPZSA-N 2 1 270.461 2.495 10 0 CEAEMP CC1CCC([N@@H+](C)CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085301494 179010391 /nfs/dbraw/zinc/01/03/91/179010391.db2.gz AOEUQNIPXAKBAT-NRXISQOPSA-N 2 1 256.434 2.377 10 0 CEAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)C1(C)C ZINC000085380404 179045774 /nfs/dbraw/zinc/04/57/74/179045774.db2.gz VCZOOTQPBAUGQQ-BFHYXJOUSA-N 2 1 256.434 2.366 10 0 CEAEMP Cc1[nH+]ccn1CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000085526796 179089523 /nfs/dbraw/zinc/08/95/23/179089523.db2.gz KRXLDZSMZJXMAT-HZPDHXFCSA-N 2 1 290.455 2.290 10 0 CEAEMP CC(C)CCOCC[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000085608145 179100896 /nfs/dbraw/zinc/10/08/96/179100896.db2.gz BLFIHQAWRWYIEM-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP CC(C)CCOCC[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000085608145 179100898 /nfs/dbraw/zinc/10/08/98/179100898.db2.gz BLFIHQAWRWYIEM-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1Cc1ccccn1 ZINC000085623689 179107354 /nfs/dbraw/zinc/10/73/54/179107354.db2.gz MAHZFLRFMAHVOC-BBRMVZONSA-N 2 1 259.397 2.434 10 0 CEAEMP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1Cc1ccccn1 ZINC000085623689 179107356 /nfs/dbraw/zinc/10/73/56/179107356.db2.gz MAHZFLRFMAHVOC-BBRMVZONSA-N 2 1 259.397 2.434 10 0 CEAEMP c1cc(CC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)cs1 ZINC000085616157 179103792 /nfs/dbraw/zinc/10/37/92/179103792.db2.gz TWVOPBANVBXNTK-AWEZNQCLSA-N 2 1 250.411 2.365 10 0 CEAEMP c1cc(CC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)cs1 ZINC000085616157 179103795 /nfs/dbraw/zinc/10/37/95/179103795.db2.gz TWVOPBANVBXNTK-AWEZNQCLSA-N 2 1 250.411 2.365 10 0 CEAEMP FC(F)(F)COCCC[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616403 179104212 /nfs/dbraw/zinc/10/42/12/179104212.db2.gz OLNUUFZNRWKUGB-LBPRGKRZSA-N 2 1 280.334 2.029 10 0 CEAEMP CCOCC[N@@H+]1C[C@@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618736 179104672 /nfs/dbraw/zinc/10/46/72/179104672.db2.gz RVFBVJTZRNWEIK-DOTOQJQBSA-N 2 1 276.424 2.318 10 0 CEAEMP CCOCC[N@H+]1C[C@@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618736 179104674 /nfs/dbraw/zinc/10/46/74/179104674.db2.gz RVFBVJTZRNWEIK-DOTOQJQBSA-N 2 1 276.424 2.318 10 0 CEAEMP C[C@H]1CC[NH2+]C2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000085623373 179105786 /nfs/dbraw/zinc/10/57/86/179105786.db2.gz AJCGCDHXQRDROB-AWEZNQCLSA-N 2 1 266.429 2.410 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085636423 179109433 /nfs/dbraw/zinc/10/94/33/179109433.db2.gz RQVHFSGPDBXBLP-XQLPTFJDSA-N 2 1 266.429 2.120 10 0 CEAEMP c1ccc([C@@H]2CN([C@@H]3CC[N@H+]4CCCC[C@H]34)CC[NH2+]2)cc1 ZINC000086144866 179237239 /nfs/dbraw/zinc/23/72/39/179237239.db2.gz LETWXVWNVRSINF-RCCFBDPRSA-N 2 1 285.435 2.260 10 0 CEAEMP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086171856 179243905 /nfs/dbraw/zinc/24/39/05/179243905.db2.gz LWLOSSPDDDOWHS-FZKCQIBNSA-N 2 1 267.461 2.037 10 0 CEAEMP C[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173706 179244044 /nfs/dbraw/zinc/24/40/44/179244044.db2.gz NXUBSUUUIUUCRC-JZXOWHBKSA-N 2 1 287.451 2.363 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@H+](CCCC[NH+](C)C)[C@@H](CC)CN1 ZINC000086174294 179245454 /nfs/dbraw/zinc/24/54/54/179245454.db2.gz BHZWMGWPHNSXBJ-HRCADAONSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@H]1C[N@@H+](CCCC[NH+](C)C)[C@@H](CC)CN1 ZINC000086174294 179245456 /nfs/dbraw/zinc/24/54/56/179245456.db2.gz BHZWMGWPHNSXBJ-HRCADAONSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086174305 179245671 /nfs/dbraw/zinc/24/56/71/179245671.db2.gz DPQPCMXAVPXLMA-CVEARBPZSA-N 2 1 269.477 2.283 10 0 CEAEMP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCCC[NH+](C)C ZINC000086174305 179245672 /nfs/dbraw/zinc/24/56/72/179245672.db2.gz DPQPCMXAVPXLMA-CVEARBPZSA-N 2 1 269.477 2.283 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@H+](CCCC[NH+](C)C)[C@@H](CC)CN1 ZINC000086174292 179245750 /nfs/dbraw/zinc/24/57/50/179245750.db2.gz BHZWMGWPHNSXBJ-JYJNAYRXSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@H](C)[C@@H]1C[N@@H+](CCCC[NH+](C)C)[C@@H](CC)CN1 ZINC000086174292 179245752 /nfs/dbraw/zinc/24/57/52/179245752.db2.gz BHZWMGWPHNSXBJ-JYJNAYRXSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CC[N@@H+](C)C1 ZINC000086223132 179251620 /nfs/dbraw/zinc/25/16/20/179251620.db2.gz XCNUTIAMARTXCB-HZPDHXFCSA-N 2 1 279.472 2.325 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223956 179253114 /nfs/dbraw/zinc/25/31/14/179253114.db2.gz HMRFOEJLMKOTKM-OIISXLGYSA-N 2 1 279.472 2.323 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N2CC(CC)(CC)[NH2+]C[C@@H]2C)C1 ZINC000086225415 179253437 /nfs/dbraw/zinc/25/34/37/179253437.db2.gz CUYIGSAVAAVZTD-LSDHHAIUSA-N 2 1 267.461 2.323 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC000086223916 179253881 /nfs/dbraw/zinc/25/38/81/179253881.db2.gz HHVHQNLXXCHFDZ-OIISXLGYSA-N 2 1 273.424 2.116 10 0 CEAEMP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCC[N@H+]1C ZINC000086259299 179258734 /nfs/dbraw/zinc/25/87/34/179258734.db2.gz CZUCADLXLOOXHZ-IXDOHACOSA-N 2 1 279.472 2.323 10 0 CEAEMP C[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CCCC[NH+](C)C ZINC000086261107 179260377 /nfs/dbraw/zinc/26/03/77/179260377.db2.gz TYZPWGJPWVFLNG-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCCC[NH+](C)C ZINC000086261107 179260378 /nfs/dbraw/zinc/26/03/78/179260378.db2.gz TYZPWGJPWVFLNG-KGLIPLIRSA-N 2 1 255.450 2.037 10 0 CEAEMP CC(C)[N@H+]1CC[C@@H](CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086260720 179260446 /nfs/dbraw/zinc/26/04/46/179260446.db2.gz CYUUIKRDDILDBT-ZMSDIMECSA-N 2 1 279.472 2.179 10 0 CEAEMP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000086288663 179264517 /nfs/dbraw/zinc/26/45/17/179264517.db2.gz GRYZHYVUWIYECD-BZUAXINKSA-N 2 1 267.461 2.038 10 0 CEAEMP CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086258990 179256883 /nfs/dbraw/zinc/25/68/83/179256883.db2.gz KIDSLTRTDYUILB-ROUUACIJSA-N 2 1 293.499 2.427 10 0 CEAEMP CC[C@H]1CNC(C)(C)C[N@H+]1CC1CC[NH+](CC)CC1 ZINC000086259192 179257580 /nfs/dbraw/zinc/25/75/80/179257580.db2.gz NKYCTNHGZRJLMF-HNNXBMFYSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[C@H]1C[NH2+]C(C)(C)CN1CC1CC[NH+](CC)CC1 ZINC000086259192 179257581 /nfs/dbraw/zinc/25/75/81/179257581.db2.gz NKYCTNHGZRJLMF-HNNXBMFYSA-N 2 1 267.461 2.181 10 0 CEAEMP C1CC1[N@H+]1CC[C@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291910 179266444 /nfs/dbraw/zinc/26/64/44/179266444.db2.gz SSUKSICNPNMOFP-INIZCTEOSA-N 2 1 277.456 2.221 10 0 CEAEMP [NH3+][C@@H]1CCCc2sc(N3CCC[N@H+]4CCC[C@@H]4C3)nc21 ZINC000086444055 179294253 /nfs/dbraw/zinc/29/42/53/179294253.db2.gz HKBAMVWPTIPBGL-VXGBXAGGSA-N 2 1 292.452 2.154 10 0 CEAEMP C[N@H+](Cc1cnc(Cl)s1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000086777971 179329721 /nfs/dbraw/zinc/32/97/21/179329721.db2.gz SXYDJWNHIIVBFI-SCZZXKLOSA-N 2 1 259.806 2.356 10 0 CEAEMP C[N@@H+](Cc1cnc(Cl)s1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000086777971 179329723 /nfs/dbraw/zinc/32/97/23/179329723.db2.gz SXYDJWNHIIVBFI-SCZZXKLOSA-N 2 1 259.806 2.356 10 0 CEAEMP Cc1ccc(CN(C)[C@@]2(C[NH3+])CCC[N@@H+](C)CC2)cc1 ZINC000086819255 179348129 /nfs/dbraw/zinc/34/81/29/179348129.db2.gz HIZXSPBNSOKTHI-KRWDZBQOSA-N 2 1 275.440 2.240 10 0 CEAEMP CN(C1CCCCCC1)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 ZINC000086819326 179348806 /nfs/dbraw/zinc/34/88/06/179348806.db2.gz YNMVGXYRNAXJRH-MRXNPFEDSA-N 2 1 267.461 2.454 10 0 CEAEMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC1 ZINC000086817126 179344747 /nfs/dbraw/zinc/34/47/47/179344747.db2.gz NCHMCHMZLFOUCX-OAHLLOKOSA-N 2 1 290.407 2.074 10 0 CEAEMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086843368 179353072 /nfs/dbraw/zinc/35/30/72/179353072.db2.gz ZMWDOVAUVBXIQG-MRXNPFEDSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@@H](N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000086840627 179353372 /nfs/dbraw/zinc/35/33/72/179353372.db2.gz OVBZJASENFLZCV-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)CC1 ZINC000086840627 179353374 /nfs/dbraw/zinc/35/33/74/179353374.db2.gz OVBZJASENFLZCV-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)CC1 ZINC000086840627 179353376 /nfs/dbraw/zinc/35/33/76/179353376.db2.gz OVBZJASENFLZCV-CVEARBPZSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840780 179353382 /nfs/dbraw/zinc/35/33/82/179353382.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000086840780 179353384 /nfs/dbraw/zinc/35/33/84/179353384.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H](NC[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000086840780 179353386 /nfs/dbraw/zinc/35/33/86/179353386.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 2 1 267.461 2.182 10 0 CEAEMP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840780 179353388 /nfs/dbraw/zinc/35/33/88/179353388.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840780 179353389 /nfs/dbraw/zinc/35/33/89/179353389.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000086840780 179353390 /nfs/dbraw/zinc/35/33/90/179353390.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000086840780 179353392 /nfs/dbraw/zinc/35/33/92/179353392.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 3 1 267.461 2.182 10 0 CEAEMP CCC[N@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850882 179358181 /nfs/dbraw/zinc/35/81/81/179358181.db2.gz IWSINFQXJANTQP-HUUCEWRRSA-N 2 1 253.434 2.064 10 0 CEAEMP CCC[N@H+]1CCC[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851231 179358925 /nfs/dbraw/zinc/35/89/25/179358925.db2.gz MCJBUEUKVGVBKM-MRXNPFEDSA-N 3 1 267.461 2.312 10 0 CEAEMP CC[N@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850978 179359120 /nfs/dbraw/zinc/35/91/20/179359120.db2.gz DUCWETWMCCNXJL-YESZJQIVSA-N 2 1 279.472 2.467 10 0 CEAEMP C1C[NH2+][C@H]([C@H]2CCC[N@H+]([C@@H]3CCCOCC3)C2)C1 ZINC000086876807 179365246 /nfs/dbraw/zinc/36/52/46/179365246.db2.gz RZEWNOUJWJJPTC-ZNMIVQPWSA-N 2 1 252.402 2.020 10 0 CEAEMP CC(C)[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC000086876849 179365691 /nfs/dbraw/zinc/36/56/91/179365691.db2.gz RYOGFEDRUGMTFH-LSDHHAIUSA-N 2 1 254.418 2.266 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(O)(CC)CC)C1 ZINC000087014770 179379898 /nfs/dbraw/zinc/37/98/98/179379898.db2.gz KFPQUVUFJWWLDM-ZIAGYGMSSA-N 2 1 256.434 2.248 10 0 CEAEMP C[C@@H]1CCC[C@](O)(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000087064912 179390345 /nfs/dbraw/zinc/39/03/45/179390345.db2.gz MSXWBOSDLYYTNO-OWCLPIDISA-N 2 1 268.445 2.392 10 0 CEAEMP CC[N@H+]1CCC[C@](C[NH3+])(NCc2cccs2)CC1 ZINC000087904072 179516477 /nfs/dbraw/zinc/51/64/77/179516477.db2.gz AFDXQUOBTGZIAE-AWEZNQCLSA-N 2 1 267.442 2.041 10 0 CEAEMP C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511187 233179605 /nfs/dbraw/zinc/17/96/05/233179605.db2.gz FNOAMRUZERRZRU-FZCLSBEQSA-N 2 1 287.451 2.095 10 0 CEAEMP C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511187 233179607 /nfs/dbraw/zinc/17/96/07/233179607.db2.gz FNOAMRUZERRZRU-FZCLSBEQSA-N 2 1 287.451 2.095 10 0 CEAEMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355395 233176237 /nfs/dbraw/zinc/17/62/37/233176237.db2.gz OGJSLGPHCNVXEP-CWLKWCNXSA-N 2 1 287.451 2.237 10 0 CEAEMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355395 233176239 /nfs/dbraw/zinc/17/62/39/233176239.db2.gz OGJSLGPHCNVXEP-CWLKWCNXSA-N 2 1 287.451 2.237 10 0 CEAEMP O=C(C[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1)Nc1ccccc1 ZINC000090694622 180026291 /nfs/dbraw/zinc/02/62/91/180026291.db2.gz HYNVHQWSKYPJJC-MRXNPFEDSA-N 2 1 287.407 2.089 10 0 CEAEMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694377 180026339 /nfs/dbraw/zinc/02/63/39/180026339.db2.gz IGPHHXDNZWBKHR-HUUCEWRRSA-N 2 1 252.402 2.020 10 0 CEAEMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000104449429 186005609 /nfs/dbraw/zinc/00/56/09/186005609.db2.gz WGMOSQNMNAQHCT-RYUDHWBXSA-N 2 1 253.415 2.401 10 0 CEAEMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000104449429 186005610 /nfs/dbraw/zinc/00/56/10/186005610.db2.gz WGMOSQNMNAQHCT-RYUDHWBXSA-N 2 1 253.415 2.401 10 0 CEAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC1CCCCC1 ZINC000104447816 186006228 /nfs/dbraw/zinc/00/62/28/186006228.db2.gz DTYRKDJYEOFHBO-AGUYFDCRSA-N 2 1 252.402 2.290 10 0 CEAEMP c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH2+]C1CC1 ZINC000090907924 180062286 /nfs/dbraw/zinc/06/22/86/180062286.db2.gz DBWYUSGHYREQRQ-CALCHBBNSA-N 2 1 272.392 2.302 10 0 CEAEMP c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH2+]C1CC1 ZINC000090907924 180062288 /nfs/dbraw/zinc/06/22/88/180062288.db2.gz DBWYUSGHYREQRQ-CALCHBBNSA-N 2 1 272.392 2.302 10 0 CEAEMP C[NH2+]Cc1ccn(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000091002931 180083854 /nfs/dbraw/zinc/08/38/54/180083854.db2.gz XKMQNLSZHCYERW-UHFFFAOYSA-N 2 1 259.353 2.276 10 0 CEAEMP CC[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C[C@H](CC)O1 ZINC000675054797 539761732 /nfs/dbraw/zinc/76/17/32/539761732.db2.gz ZIDXHCGQMPQVFR-TUVASFSCSA-N 2 1 254.418 2.393 10 0 CEAEMP CCC[C@@H]1CCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314285 180133774 /nfs/dbraw/zinc/13/37/74/180133774.db2.gz MBYIKUUFUINTOI-HUUCEWRRSA-N 2 1 254.418 2.267 10 0 CEAEMP CCN(CC)C(=O)C[C@H](CN)[N@@H+](CC)Cc1ccccc1 ZINC000091322619 180134664 /nfs/dbraw/zinc/13/46/64/180134664.db2.gz QZQHZOVADYZYAT-MRXNPFEDSA-N 2 1 291.439 2.094 10 0 CEAEMP CC(C)n1cncc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000091273036 180117931 /nfs/dbraw/zinc/11/79/31/180117931.db2.gz VNDJEMHWNABDRM-ZDUSSCGKSA-N 2 1 250.390 2.167 10 0 CEAEMP CC(C)n1cncc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000091273036 180117932 /nfs/dbraw/zinc/11/79/32/180117932.db2.gz VNDJEMHWNABDRM-ZDUSSCGKSA-N 2 1 250.390 2.167 10 0 CEAEMP C[NH2+]C[C@H]1CCCC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275487 180118590 /nfs/dbraw/zinc/11/85/90/180118590.db2.gz WOCVNMGWPQISTO-DOMZBBRYSA-N 2 1 262.401 2.210 10 0 CEAEMP C[NH2+]C[C@H]1CCCC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275487 180118592 /nfs/dbraw/zinc/11/85/92/180118592.db2.gz WOCVNMGWPQISTO-DOMZBBRYSA-N 2 1 262.401 2.210 10 0 CEAEMP COc1cccc(C[N@H+](C)CC[C@H]2CSCC[NH2+]2)c1 ZINC000091292076 180123689 /nfs/dbraw/zinc/12/36/89/180123689.db2.gz FRMDVKLROCXSAL-AWEZNQCLSA-N 2 1 280.437 2.222 10 0 CEAEMP COc1cccc(C[N@@H+](C)CC[C@H]2CSCC[NH2+]2)c1 ZINC000091292076 180123690 /nfs/dbraw/zinc/12/36/90/180123690.db2.gz FRMDVKLROCXSAL-AWEZNQCLSA-N 2 1 280.437 2.222 10 0 CEAEMP C[N@H+](Cc1ccc2ncccc2c1)CC1CC([NH3+])C1 ZINC000091473117 180165515 /nfs/dbraw/zinc/16/55/15/180165515.db2.gz QQTGLSHVIFRYSX-UHFFFAOYSA-N 2 1 255.365 2.404 10 0 CEAEMP CCC[NH2+][C@@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000091404609 180147235 /nfs/dbraw/zinc/14/72/35/180147235.db2.gz KRRZZQQVMCAAHJ-LSDHHAIUSA-N 2 1 269.477 2.427 10 0 CEAEMP CC[NH2+][C@@H](Cc1cnn(CC)c1)[C@@](C)(CC)[NH+](C)C ZINC000091571195 180195819 /nfs/dbraw/zinc/19/58/19/180195819.db2.gz CICUMPHFJDBARQ-LSDHHAIUSA-N 2 1 266.433 2.154 10 0 CEAEMP CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1cc[nH+]c(N)c1 ZINC000091572948 180196086 /nfs/dbraw/zinc/19/60/86/180196086.db2.gz UDXUWTCETQAENF-HIFRSBDPSA-N 2 1 265.401 2.078 10 0 CEAEMP Nc1cc[nH+]cc1[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640453 180213386 /nfs/dbraw/zinc/21/33/86/180213386.db2.gz SBRBXJNLDBJSEM-AWEZNQCLSA-N 2 1 261.369 2.106 10 0 CEAEMP CC[NH2+][C@H](Cc1cnn(C)c1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649348 180216359 /nfs/dbraw/zinc/21/63/59/180216359.db2.gz RGKNPDCRCVZWMM-ARWYELJZSA-N 2 1 292.471 2.451 10 0 CEAEMP C[NH+](C)C1([C@H](O)Cc2cc[nH+]c(N)c2)CCCCCC1 ZINC000091653811 180217209 /nfs/dbraw/zinc/21/72/09/180217209.db2.gz DCLIOKJJPWVBKO-CQSZACIVSA-N 2 1 277.412 2.222 10 0 CEAEMP CC[NH2+][C@H](CCC(C)C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721529 180238469 /nfs/dbraw/zinc/23/84/69/180238469.db2.gz JLHWDTKGBJUYOU-KFWWJZLASA-N 2 1 254.418 2.264 10 0 CEAEMP CC[NH2+][C@H](CCC(C)C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721529 180238470 /nfs/dbraw/zinc/23/84/70/180238470.db2.gz JLHWDTKGBJUYOU-KFWWJZLASA-N 2 1 254.418 2.264 10 0 CEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)C1CCN(C)CC1 ZINC000091851620 180272655 /nfs/dbraw/zinc/27/26/55/180272655.db2.gz BUWRKQBKVVQCHK-UHFFFAOYSA-N 2 1 253.434 2.063 10 0 CEAEMP CCC[N@@H+](CC(=O)NC(CC)CC)C1CCC([NH3+])CC1 ZINC000091852469 180273070 /nfs/dbraw/zinc/27/30/70/180273070.db2.gz YGPBOFYCGVHPMF-UHFFFAOYSA-N 2 1 283.460 2.273 10 0 CEAEMP Cc1nn(C)c(C)c1[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091843991 180269048 /nfs/dbraw/zinc/26/90/48/180269048.db2.gz HLAUBBTYEVOUHD-XGNXJENSSA-N 2 1 264.417 2.300 10 0 CEAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[NH+](CC)CC1 ZINC000091849982 180271732 /nfs/dbraw/zinc/27/17/32/180271732.db2.gz OYXKDHFWOKOTIM-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](CC)CC1 ZINC000091849982 180271733 /nfs/dbraw/zinc/27/17/33/180271733.db2.gz OYXKDHFWOKOTIM-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CC[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000091849982 180271735 /nfs/dbraw/zinc/27/17/35/180271735.db2.gz OYXKDHFWOKOTIM-HWOWSKLDSA-N 3 1 267.461 2.453 10 0 CEAEMP CCN1CCC[C@@H]([N@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849982 180271736 /nfs/dbraw/zinc/27/17/36/180271736.db2.gz OYXKDHFWOKOTIM-HWOWSKLDSA-N 2 1 267.461 2.453 10 0 CEAEMP CCN1CCC[C@@H]([N@@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849982 180271738 /nfs/dbraw/zinc/27/17/38/180271738.db2.gz OYXKDHFWOKOTIM-HWOWSKLDSA-N 2 1 267.461 2.453 10 0 CEAEMP CCC[NH2+]C1CCC(N(C)c2cc[nH+]c(N(C)C)n2)CC1 ZINC000091870756 180277198 /nfs/dbraw/zinc/27/71/98/180277198.db2.gz LQBNXOUBVBBBNJ-UHFFFAOYSA-N 2 1 291.443 2.290 10 0 CEAEMP CC[NH2+]C1CCC(N(C)c2cc(C)[nH+]c(C)n2)CC1 ZINC000091870806 180277354 /nfs/dbraw/zinc/27/73/54/180277354.db2.gz IIIKPOQICKZROW-UHFFFAOYSA-N 2 1 262.401 2.450 10 0 CEAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000091870956 180277357 /nfs/dbraw/zinc/27/73/57/180277357.db2.gz WVWAPYOSSBPART-JXQTWKCFSA-N 2 1 254.418 2.406 10 0 CEAEMP CCC[N@H+]1CCC[C@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922611 180286882 /nfs/dbraw/zinc/28/68/82/180286882.db2.gz LZTSMFSLQXVEDC-OAHLLOKOSA-N 2 1 254.418 2.133 10 0 CEAEMP CC[N@@H+]1CCO[C@@H](COc2c(C)cc(C[NH2+]C)cc2C)C1 ZINC000092051019 180312291 /nfs/dbraw/zinc/31/22/91/180312291.db2.gz ZBYMPDMAHHVHDB-MRXNPFEDSA-N 2 1 292.423 2.122 10 0 CEAEMP CC[N@H+]1CCO[C@@H](COc2c(C)cc(C[NH2+]C)cc2C)C1 ZINC000092051019 180312292 /nfs/dbraw/zinc/31/22/92/180312292.db2.gz ZBYMPDMAHHVHDB-MRXNPFEDSA-N 2 1 292.423 2.122 10 0 CEAEMP CC[C@H]([NH3+])Cc1cccc(OC[C@H]2C[N@H+](CC)CCO2)c1 ZINC000092060667 180315088 /nfs/dbraw/zinc/31/50/88/180315088.db2.gz YOOJVCRPVNRIDS-DOTOQJQBSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@H]([NH3+])Cc1cccc(OC[C@H]2C[N@@H+](CC)CCO2)c1 ZINC000092060667 180315091 /nfs/dbraw/zinc/31/50/91/180315091.db2.gz YOOJVCRPVNRIDS-DOTOQJQBSA-N 2 1 292.423 2.066 10 0 CEAEMP CC[C@H]([NH3+])Cc1nc(C)ccc1OCCn1cc[nH+]c1C ZINC000092000378 180303723 /nfs/dbraw/zinc/30/37/23/180303723.db2.gz XNHSDKHEQGQLGO-AWEZNQCLSA-N 2 1 288.395 2.254 10 0 CEAEMP CCC[NH2+]CCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003637 180304394 /nfs/dbraw/zinc/30/43/94/180304394.db2.gz KMXCIDPLKODTED-CVEARBPZSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH2+]Cc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000092089195 180321216 /nfs/dbraw/zinc/32/12/16/180321216.db2.gz GLXZSNMSQHBPTI-OKILXGFUSA-N 2 1 262.397 2.373 10 0 CEAEMP C[C@H]1C[N@@H+](C[C@]2(C[NH2+]C(C)(C)C)CCOC2)C[C@H]1C ZINC000092088342 180321310 /nfs/dbraw/zinc/32/13/10/180321310.db2.gz ZHJUYHWGWMDYSS-IJEWVQPXSA-N 2 1 268.445 2.369 10 0 CEAEMP CCC[NH2+][C@](C)(CO)C[C@@H](C)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090266 180322602 /nfs/dbraw/zinc/32/26/02/180322602.db2.gz UBGRKYFYKITKBL-BARDWOONSA-N 2 1 256.434 2.103 10 0 CEAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267758 180355703 /nfs/dbraw/zinc/35/57/03/180355703.db2.gz AMSMMZGRYKQSSI-OCCSQVGLSA-N 2 1 262.422 2.245 10 0 CEAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302581 180359164 /nfs/dbraw/zinc/35/91/64/180359164.db2.gz XTYRNXDYCSAFDK-MGPQQGTHSA-N 2 1 260.381 2.222 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000092325813 180363283 /nfs/dbraw/zinc/36/32/83/180363283.db2.gz VAYMAUSNANZSLS-OAHLLOKOSA-N 2 1 278.444 2.389 10 0 CEAEMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000092325813 180363286 /nfs/dbraw/zinc/36/32/86/180363286.db2.gz VAYMAUSNANZSLS-OAHLLOKOSA-N 2 1 278.444 2.389 10 0 CEAEMP CNc1cc[nH+]c(C[N@H+](CCO)C2CCCCC2)c1 ZINC000092418629 180380943 /nfs/dbraw/zinc/38/09/43/180380943.db2.gz KXRVIBJYGWGNAK-UHFFFAOYSA-N 2 1 263.385 2.250 10 0 CEAEMP CNc1cc[nH+]c(C[N@@H+](CCO)C2CCCCC2)c1 ZINC000092418629 180380944 /nfs/dbraw/zinc/38/09/44/180380944.db2.gz KXRVIBJYGWGNAK-UHFFFAOYSA-N 2 1 263.385 2.250 10 0 CEAEMP CC[N@H+](Cc1cccc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000092431251 180384556 /nfs/dbraw/zinc/38/45/56/180384556.db2.gz UITZHKLGYNSBLY-MZBDJJRSSA-N 2 1 259.397 2.495 10 0 CEAEMP CC[N@@H+](Cc1cccc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000092431251 180384559 /nfs/dbraw/zinc/38/45/59/180384559.db2.gz UITZHKLGYNSBLY-MZBDJJRSSA-N 2 1 259.397 2.495 10 0 CEAEMP CC[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092627170 180419114 /nfs/dbraw/zinc/41/91/14/180419114.db2.gz SFQJPOKCECOFHA-BBWFWOEESA-N 2 1 275.440 2.491 10 0 CEAEMP CC[NH2+]Cc1ccccc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000092633151 180423140 /nfs/dbraw/zinc/42/31/40/180423140.db2.gz JLKPEOTVWAZZBV-HNNXBMFYSA-N 2 1 261.413 2.327 10 0 CEAEMP C[C@@H](C[NH2+]C(C)(C)C)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000092633986 180423532 /nfs/dbraw/zinc/42/35/32/180423532.db2.gz XLEKDJXKYYGAEV-KBPBESRZSA-N 2 1 255.450 2.037 10 0 CEAEMP COC(=O)CC[N@@H+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000109685363 186269247 /nfs/dbraw/zinc/26/92/47/186269247.db2.gz CVFYAUJBUCQPFN-HZSPNIEDSA-N 2 1 284.444 2.271 10 0 CEAEMP C[C@H]([NH3+])[C@H](c1ccccc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110704885 186313844 /nfs/dbraw/zinc/31/38/44/186313844.db2.gz HEQGVQNTZNOXFU-DZGCQCFKSA-N 2 1 261.413 2.101 10 0 CEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CC[N@H+]1C ZINC000110710350 186315246 /nfs/dbraw/zinc/31/52/46/186315246.db2.gz XHMAAWSTGSBXQB-WBVHZDCISA-N 2 1 275.440 2.329 10 0 CEAEMP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110717138 186315876 /nfs/dbraw/zinc/31/58/76/186315876.db2.gz IMFONBICKLPSAG-HOCLYGCPSA-N 2 1 275.440 2.362 10 0 CEAEMP CCCCC[NH2+]C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000110757942 186320351 /nfs/dbraw/zinc/32/03/51/186320351.db2.gz FZJBOIYNFNXNPH-CQSZACIVSA-N 2 1 255.450 2.181 10 0 CEAEMP CC(C)[NH2+]CCC[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754710 186321739 /nfs/dbraw/zinc/32/17/39/186321739.db2.gz KBOMYKPBSHUQMK-CQSZACIVSA-N 2 1 255.450 2.179 10 0 CEAEMP CC[C@H]1CN(c2nc(C)c(C[NH2+]C(C)C)s2)CC[N@H+]1C ZINC000110760269 186322383 /nfs/dbraw/zinc/32/23/83/186322383.db2.gz OJUMBEKOLHVIIP-ZDUSSCGKSA-N 2 1 296.484 2.480 10 0 CEAEMP C[C@@H]([NH3+])c1ccc(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110770464 186322436 /nfs/dbraw/zinc/32/24/36/186322436.db2.gz PGJFDFHRTWVKSJ-GFCCVEGCSA-N 2 1 290.411 2.264 10 0 CEAEMP CCOCC[N@@H+](CC)Cc1cc(C[NH3+])ccc1F ZINC000111117110 186355339 /nfs/dbraw/zinc/35/53/39/186355339.db2.gz PMQOBBFOIKUWIU-UHFFFAOYSA-N 2 1 254.349 2.143 10 0 CEAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111175114 186364965 /nfs/dbraw/zinc/36/49/65/186364965.db2.gz FFYVCFINDDJRBM-GJZGRUSLSA-N 2 1 256.434 2.227 10 0 CEAEMP C[NH2+]CC1(C[N@@H+](C)CC2CCOCC2)CCCC1 ZINC000111172933 186364990 /nfs/dbraw/zinc/36/49/90/186364990.db2.gz ZFCLJNZZQQTFRU-UHFFFAOYSA-N 2 1 254.418 2.125 10 0 CEAEMP CC(C)[NH2+]CC1(C[N@@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172929 186365127 /nfs/dbraw/zinc/36/51/27/186365127.db2.gz ZOYKYPASGURROD-UHFFFAOYSA-N 2 1 298.471 2.140 10 0 CEAEMP COCC[N@@H+](C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111327273 186398209 /nfs/dbraw/zinc/39/82/09/186398209.db2.gz KCIFTSBCGRSQLR-KRWDZBQOSA-N 2 1 298.471 2.282 10 0 CEAEMP C[N@@H+](CC1CCCCC1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111328410 186399399 /nfs/dbraw/zinc/39/93/99/186399399.db2.gz IFZONKTXDZPONO-HNNXBMFYSA-N 2 1 254.418 2.254 10 0 CEAEMP C[NH2+]C[C@@]1(C[N@@H+](CC(C)C)C(C)C)CCCOC1 ZINC000111328235 186399758 /nfs/dbraw/zinc/39/97/58/186399758.db2.gz OGCUBXOJZZUTIU-OAHLLOKOSA-N 2 1 256.434 2.369 10 0 CEAEMP OCC[C@@H]([NH2+]C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095078797 364334400 /nfs/dbraw/zinc/33/44/00/364334400.db2.gz OZUTYNJENZEIRC-FUHWJXTLSA-N 2 1 288.435 2.402 10 0 CEAEMP COC(=O)CCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000117337864 365102422 /nfs/dbraw/zinc/10/24/22/365102422.db2.gz VVGIDPLBEZZZAY-CQSZACIVSA-N 2 1 291.395 2.077 10 0 CEAEMP COC(=O)CCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000117337864 365102432 /nfs/dbraw/zinc/10/24/32/365102432.db2.gz VVGIDPLBEZZZAY-CQSZACIVSA-N 2 1 291.395 2.077 10 0 CEAEMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000275618304 193087688 /nfs/dbraw/zinc/08/76/88/193087688.db2.gz RMOMLJCMBQYOGL-ZDUSSCGKSA-N 2 1 287.411 2.187 10 0 CEAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569142 367232128 /nfs/dbraw/zinc/23/21/28/367232128.db2.gz IESYEFULKCWSIK-LURJTMIESA-N 2 1 257.206 2.143 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246311421 370944787 /nfs/dbraw/zinc/94/47/87/370944787.db2.gz DSZUWTVPDGRCLD-SOUVJXGZSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246311421 370944793 /nfs/dbraw/zinc/94/47/93/370944793.db2.gz DSZUWTVPDGRCLD-SOUVJXGZSA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246311411 370945330 /nfs/dbraw/zinc/94/53/30/370945330.db2.gz DSZUWTVPDGRCLD-QLFBSQMISA-N 2 1 254.418 2.121 10 0 CEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246311411 370945339 /nfs/dbraw/zinc/94/53/39/370945339.db2.gz DSZUWTVPDGRCLD-QLFBSQMISA-N 2 1 254.418 2.121 10 0 CEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000185359346 368795976 /nfs/dbraw/zinc/79/59/76/368795976.db2.gz ONDQYKAYBCKONV-HNNXBMFYSA-N 2 1 295.471 2.228 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000248030711 284163999 /nfs/dbraw/zinc/16/39/99/284163999.db2.gz KHBUPAHPTJMTPD-VGWMRTNUSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000248030711 284164000 /nfs/dbraw/zinc/16/40/00/284164000.db2.gz KHBUPAHPTJMTPD-VGWMRTNUSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000248030711 284164001 /nfs/dbraw/zinc/16/40/01/284164001.db2.gz KHBUPAHPTJMTPD-VGWMRTNUSA-N 2 1 294.439 2.277 10 0 CEAEMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000248030711 284164002 /nfs/dbraw/zinc/16/40/02/284164002.db2.gz KHBUPAHPTJMTPD-VGWMRTNUSA-N 2 1 294.439 2.277 10 0 CEAEMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000231669120 370485538 /nfs/dbraw/zinc/48/55/38/370485538.db2.gz OMPZZDAUSBBNOD-CQSZACIVSA-N 2 1 277.412 2.281 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]12 ZINC000261584437 371662358 /nfs/dbraw/zinc/66/23/58/371662358.db2.gz SFORLBIIKMLYOC-UHIISALHSA-N 2 1 252.308 2.134 10 0 CEAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]12 ZINC000261584437 371662365 /nfs/dbraw/zinc/66/23/65/371662365.db2.gz SFORLBIIKMLYOC-UHIISALHSA-N 2 1 252.308 2.134 10 0 CEAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CC2CCC1CC2 ZINC000399011472 375355084 /nfs/dbraw/zinc/35/50/84/375355084.db2.gz BIKDPAYSRHGZBS-PBMMVSLJSA-N 2 1 280.456 2.248 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289305992 197291450 /nfs/dbraw/zinc/29/14/50/197291450.db2.gz DJHLNOSUGWBOJZ-DZGCQCFKSA-N 2 1 262.397 2.101 10 0 CEAEMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289305992 197291452 /nfs/dbraw/zinc/29/14/52/197291452.db2.gz DJHLNOSUGWBOJZ-DZGCQCFKSA-N 2 1 262.397 2.101 10 0 CEAEMP CC[N@H+]1CCC[C@@H]1CN(C)CC1(C[NH3+])CCCCC1 ZINC000092671896 184620075 /nfs/dbraw/zinc/62/00/75/184620075.db2.gz AQFXNDRWVUPFNS-OAHLLOKOSA-N 2 1 267.461 2.312 10 0 CEAEMP Cc1[nH+]ccn1[C@H]1CCC[C@](CO)([NH2+]C(C)C)C1 ZINC000093784112 184721329 /nfs/dbraw/zinc/72/13/29/184721329.db2.gz MKLCOWAIWQSDGH-KBPBESRZSA-N 2 1 251.374 2.036 10 0 CEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C1(C[NH3+])CCCCC1 ZINC000094445735 184801991 /nfs/dbraw/zinc/80/19/91/184801991.db2.gz PBZSBMMHIHALFD-LSDHHAIUSA-N 2 1 265.445 2.207 10 0 CEAEMP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094459794 184804445 /nfs/dbraw/zinc/80/44/45/184804445.db2.gz WEXLAFBHRJDSGC-NXHRZFHOSA-N 2 1 287.451 2.424 10 0 CEAEMP CC[N@H+](Cc1ccc2c(c1)OCCO2)CC1CC[NH2+]CC1 ZINC000094011455 184750245 /nfs/dbraw/zinc/75/02/45/184750245.db2.gz HEQXKAPHBFYDIO-UHFFFAOYSA-N 2 1 290.407 2.279 10 0 CEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CCC)CC1CC[NH2+]CC1 ZINC000094025513 184750742 /nfs/dbraw/zinc/75/07/42/184750742.db2.gz ZEIUPJDUFKMFPH-GJZGRUSLSA-N 2 1 297.487 2.391 10 0 CEAEMP CC[N@@H+](C[C@@H](O)c1ccccc1)CC1CC[NH2+]CC1 ZINC000094025207 184751195 /nfs/dbraw/zinc/75/11/95/184751195.db2.gz DSJCJMSYNBHTMI-MRXNPFEDSA-N 2 1 262.397 2.042 10 0 CEAEMP C[N@H+](Cc1nc2cc(N)ccc2o1)CC1CC[NH+](C)CC1 ZINC000094494926 184810157 /nfs/dbraw/zinc/81/01/57/184810157.db2.gz GICYGIHPTQFFMG-UHFFFAOYSA-N 2 1 288.395 2.184 10 0 CEAEMP C[C@@H]1[NH2+]CC[C@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000092957679 135077370 /nfs/dbraw/zinc/07/73/70/135077370.db2.gz OGJWXEYKYOTKHH-KBPBESRZSA-N 2 1 293.842 2.460 10 0 CEAEMP CC[NH2+]Cc1ccccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439956 135087692 /nfs/dbraw/zinc/08/76/92/135087692.db2.gz KKFOKZUDTHWCLW-MRXNPFEDSA-N 2 1 273.424 2.471 10 0 CEAEMP NC(=[NH2+])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000094439615 135087912 /nfs/dbraw/zinc/08/79/12/135087912.db2.gz GVXNLGLOKGTZOA-GFCCVEGCSA-N 2 1 292.814 2.299 10 0 CEAEMP Cc1cc(F)cc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261935931 394609026 /nfs/dbraw/zinc/60/90/26/394609026.db2.gz MBOCOCPJGFGTBY-ZDUSSCGKSA-N 2 1 262.372 2.492 10 0 CEAEMP Cc1cc(F)cc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261935931 394609030 /nfs/dbraw/zinc/60/90/30/394609030.db2.gz MBOCOCPJGFGTBY-ZDUSSCGKSA-N 2 1 262.372 2.492 10 0 CEAEMP c1ccc2c(c1)cc[nH+]c2NC[C@@H]1C[NH2+]CCCO1 ZINC000389799568 400538162 /nfs/dbraw/zinc/53/81/62/400538162.db2.gz JWKHAQCAHBLWJF-ZDUSSCGKSA-N 2 1 257.337 2.025 10 0 CEAEMP Brc1c[nH+]ccc1N[C@@H]1CCC[NH2+]C1 ZINC000159899987 162319140 /nfs/dbraw/zinc/31/91/40/162319140.db2.gz DBQMUQOVDRKXRI-MRVPVSSYSA-N 2 1 256.147 2.008 10 0 CEAEMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449725 287023501 /nfs/dbraw/zinc/02/35/01/287023501.db2.gz OKLAYQCNADKQFT-HUUCEWRRSA-N 2 1 267.461 2.229 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449725 287023502 /nfs/dbraw/zinc/02/35/02/287023502.db2.gz OKLAYQCNADKQFT-HUUCEWRRSA-N 3 1 267.461 2.229 10 0 CEAEMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449725 287023503 /nfs/dbraw/zinc/02/35/03/287023503.db2.gz OKLAYQCNADKQFT-HUUCEWRRSA-N 3 1 267.461 2.229 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)NCCC[NH+]2CCCC2)C1 ZINC000037220931 173039431 /nfs/dbraw/zinc/03/94/31/173039431.db2.gz UFJDXRYPPVBFDC-CVEARBPZSA-N 2 1 267.461 2.182 10 0 CEAEMP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC[NH+]2CCCC2)C1 ZINC000037220931 173039433 /nfs/dbraw/zinc/03/94/33/173039433.db2.gz UFJDXRYPPVBFDC-CVEARBPZSA-N 3 1 267.461 2.182 10 0 CEAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC[NH+]2CCCC2)C1 ZINC000037220931 173039434 /nfs/dbraw/zinc/03/94/34/173039434.db2.gz UFJDXRYPPVBFDC-CVEARBPZSA-N 3 1 267.461 2.182 10 0 CEAEMP C[N@@H+](CCC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747004 174392844 /nfs/dbraw/zinc/39/28/44/174392844.db2.gz PNWTYFBLHFWNJG-XYPWUTKMSA-N 2 1 293.455 2.040 10 0 CEAEMP CCOc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750176 174394878 /nfs/dbraw/zinc/39/48/78/174394878.db2.gz BEBTZJZJIVYBMI-GOOCMWNKSA-N 2 1 290.407 2.418 10 0 CEAEMP Cc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750135 174395042 /nfs/dbraw/zinc/39/50/42/174395042.db2.gz LUYPFXVIKDONDO-GOOCMWNKSA-N 2 1 260.381 2.328 10 0 CEAEMP CCCC[N@H+](CC)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043817638 175113042 /nfs/dbraw/zinc/11/30/42/175113042.db2.gz UELQGOILRWAPHK-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CCCC[N@@H+](CC)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043817638 175113043 /nfs/dbraw/zinc/11/30/43/175113043.db2.gz UELQGOILRWAPHK-GJZGRUSLSA-N 2 1 284.444 2.382 10 0 CEAEMP CCC[N@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885619 175117027 /nfs/dbraw/zinc/11/70/27/175117027.db2.gz MBQLUKCJWRQMGE-GJZGRUSLSA-N 2 1 282.428 2.135 10 0 CEAEMP CCC[N@@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885619 175117028 /nfs/dbraw/zinc/11/70/28/175117028.db2.gz MBQLUKCJWRQMGE-GJZGRUSLSA-N 2 1 282.428 2.135 10 0 CEAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907411 175123369 /nfs/dbraw/zinc/12/33/69/175123369.db2.gz WLCPKPSGXISEPN-CABCVRRESA-N 2 1 254.418 2.408 10 0 CEAEMP CCC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1C ZINC000044982050 175283523 /nfs/dbraw/zinc/28/35/23/175283523.db2.gz YKLSMQGZZOLZTI-KKUMJFAQSA-N 2 1 254.418 2.123 10 0 CEAEMP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1C ZINC000045171420 175320932 /nfs/dbraw/zinc/32/09/32/175320932.db2.gz HDNZNXUBUOVSEB-FZMZJTMJSA-N 2 1 264.417 2.122 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272168 175343158 /nfs/dbraw/zinc/34/31/58/175343158.db2.gz PLQIIMZVMKODMZ-ZMSDIMECSA-N 2 1 295.471 2.131 10 0 CEAEMP CC(C)[NH2+][C@](C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272168 175343159 /nfs/dbraw/zinc/34/31/59/175343159.db2.gz PLQIIMZVMKODMZ-ZMSDIMECSA-N 2 1 295.471 2.131 10 0 CEAEMP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045370692 175364205 /nfs/dbraw/zinc/36/42/05/175364205.db2.gz KASKLAGFLAWMFP-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)OC ZINC000045370692 175364207 /nfs/dbraw/zinc/36/42/07/175364207.db2.gz KASKLAGFLAWMFP-OAHLLOKOSA-N 2 1 272.433 2.430 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377987 175367504 /nfs/dbraw/zinc/36/75/04/175367504.db2.gz KYUCFXYNEHLCRB-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OC ZINC000045377987 175367506 /nfs/dbraw/zinc/36/75/06/175367506.db2.gz KYUCFXYNEHLCRB-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH+](CCC)CCCC[C@](C)([NH2+]C)C(=O)OC ZINC000045378514 175367624 /nfs/dbraw/zinc/36/76/24/175367624.db2.gz ZWAHJCYXHGXBOH-HNNXBMFYSA-N 2 1 272.433 2.430 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378069 175367850 /nfs/dbraw/zinc/36/78/50/175367850.db2.gz CMELWNDBJTXZFO-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045378069 175367851 /nfs/dbraw/zinc/36/78/51/175367851.db2.gz CMELWNDBJTXZFO-CQSZACIVSA-N 2 1 258.406 2.038 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045381006 175369952 /nfs/dbraw/zinc/36/99/52/175369952.db2.gz IMBDXLBCMYJXDT-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045381006 175369953 /nfs/dbraw/zinc/36/99/53/175369953.db2.gz IMBDXLBCMYJXDT-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)CC(C)C ZINC000045381683 175369976 /nfs/dbraw/zinc/36/99/76/175369976.db2.gz YLLVOAAMZZIFRD-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)CC(C)C ZINC000045381683 175369978 /nfs/dbraw/zinc/36/99/78/175369978.db2.gz YLLVOAAMZZIFRD-OAHLLOKOSA-N 2 1 272.433 2.286 10 0 CEAEMP CCC[N@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045387126 175372750 /nfs/dbraw/zinc/37/27/50/175372750.db2.gz AXJSWRRUSDFUIZ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[N@@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000045387126 175372751 /nfs/dbraw/zinc/37/27/51/175372751.db2.gz AXJSWRRUSDFUIZ-OAHLLOKOSA-N 2 1 272.433 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393037 175375624 /nfs/dbraw/zinc/37/56/24/175375624.db2.gz ALGLFBKIGYIOPA-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393037 175375626 /nfs/dbraw/zinc/37/56/26/175375626.db2.gz ALGLFBKIGYIOPA-XJKSGUPXSA-N 2 1 284.444 2.428 10 0 CEAEMP CCOCC[N@@H+](CC)C[C@H](C[NH3+])c1ccccc1 ZINC000070943297 176015838 /nfs/dbraw/zinc/01/58/38/176015838.db2.gz UMEUOVLAXZRTNX-HNNXBMFYSA-N 2 1 250.386 2.087 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000071161681 176046347 /nfs/dbraw/zinc/04/63/47/176046347.db2.gz YHGFTGBQXCWXIA-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000071161681 176046349 /nfs/dbraw/zinc/04/63/49/176046349.db2.gz YHGFTGBQXCWXIA-UKRRQHHQSA-N 2 1 254.418 2.395 10 0 CEAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071187912 176061322 /nfs/dbraw/zinc/06/13/22/176061322.db2.gz JQYAHXUVHKKJRQ-ZMSDIMECSA-N 2 1 275.440 2.267 10 0 CEAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187947 176061665 /nfs/dbraw/zinc/06/16/65/176061665.db2.gz GRDVPNYWUIRVSP-INMHGKMJSA-N 2 1 275.440 2.267 10 0 CEAEMP CCC[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190581 176066349 /nfs/dbraw/zinc/06/63/49/176066349.db2.gz DBCAKVYFWDOSGU-KLHDSHLOSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071190581 176066350 /nfs/dbraw/zinc/06/63/50/176066350.db2.gz DBCAKVYFWDOSGU-KLHDSHLOSA-N 2 1 268.445 2.200 10 0 CEAEMP CCC[C@@H]1CC[C@@H](O)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071190581 176066352 /nfs/dbraw/zinc/06/63/52/176066352.db2.gz DBCAKVYFWDOSGU-KLHDSHLOSA-N 2 1 268.445 2.200 10 0 CEAEMP CCCC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CC[NH2+]CC1 ZINC000071190948 176067884 /nfs/dbraw/zinc/06/78/84/176067884.db2.gz IMOZPMYKEOZMDY-OAHLLOKOSA-N 3 1 267.461 2.040 10 0 CEAEMP CCCC1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000071190948 176067886 /nfs/dbraw/zinc/06/78/86/176067886.db2.gz IMOZPMYKEOZMDY-OAHLLOKOSA-N 3 1 267.461 2.040 10 0 CEAEMP CCCC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000071190948 176067887 /nfs/dbraw/zinc/06/78/87/176067887.db2.gz IMOZPMYKEOZMDY-OAHLLOKOSA-N 3 1 267.461 2.040 10 0 CEAEMP CCCC1(C[N@H+](C)C[C@@H]2CCN(C)C2)CC[NH2+]CC1 ZINC000071190948 176067888 /nfs/dbraw/zinc/06/78/88/176067888.db2.gz IMOZPMYKEOZMDY-OAHLLOKOSA-N 2 1 267.461 2.040 10 0 CEAEMP CCCC1(C[N@@H+](C)C[C@@H]2CCN(C)C2)CC[NH2+]CC1 ZINC000071190948 176067890 /nfs/dbraw/zinc/06/78/90/176067890.db2.gz IMOZPMYKEOZMDY-OAHLLOKOSA-N 2 1 267.461 2.040 10 0 CEAEMP CC[NH2+]CC1(CN(C)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191453 176069164 /nfs/dbraw/zinc/06/91/64/176069164.db2.gz VAIXUOILZOIQON-INIZCTEOSA-N 2 1 281.488 2.430 10 0 CEAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191398 176070104 /nfs/dbraw/zinc/07/01/04/176070104.db2.gz OYVKOTMVUPMOHS-BRWVUGGUSA-N 2 1 281.488 2.428 10 0 CEAEMP CCC[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191894 176072521 /nfs/dbraw/zinc/07/25/21/176072521.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 2 1 279.428 2.163 10 0 CEAEMP Cc1oc(C[NH2+]C(C)C)cc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192075 176073554 /nfs/dbraw/zinc/07/35/54/176073554.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 2 1 293.455 2.470 10 0 CEAEMP C[C@H]1CCC[C@H]([NH2+]CCN(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071192375 176073657 /nfs/dbraw/zinc/07/36/57/176073657.db2.gz CZHOQXJZHIEZOF-XHSDSOJGSA-N 2 1 267.461 2.038 10 0 CEAEMP C[C@H]([NH3+])c1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071193053 176075118 /nfs/dbraw/zinc/07/51/18/176075118.db2.gz HARFSWIEIGLOKR-STQMWFEESA-N 2 1 290.411 2.122 10 0 CEAEMP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000071212669 176084393 /nfs/dbraw/zinc/08/43/93/176084393.db2.gz FDKWPOUUMXYZEK-ZYHUDNBSSA-N 2 1 253.415 2.271 10 0 CEAEMP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000071212669 176084395 /nfs/dbraw/zinc/08/43/95/176084395.db2.gz FDKWPOUUMXYZEK-ZYHUDNBSSA-N 2 1 253.415 2.271 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC000071213157 176084655 /nfs/dbraw/zinc/08/46/55/176084655.db2.gz GLOVOXCZNOHVEK-GFCCVEGCSA-N 2 1 253.415 2.273 10 0 CEAEMP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000071213157 176084657 /nfs/dbraw/zinc/08/46/57/176084657.db2.gz GLOVOXCZNOHVEK-GFCCVEGCSA-N 2 1 253.415 2.273 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250563 176094865 /nfs/dbraw/zinc/09/48/65/176094865.db2.gz AKGBGQSFIGVNTO-NHYWBVRUSA-N 2 1 266.360 2.284 10 0 CEAEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071250563 176094866 /nfs/dbraw/zinc/09/48/66/176094866.db2.gz AKGBGQSFIGVNTO-NHYWBVRUSA-N 2 1 266.360 2.284 10 0 CEAEMP CC(C)[NH2+]CCCCCC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000071290081 176110293 /nfs/dbraw/zinc/11/02/93/176110293.db2.gz GAWUVQZWXBEQGE-HNNXBMFYSA-N 2 1 255.450 2.181 10 0 CEAEMP C[N@@H+](CCCCCC[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000071289121 176110781 /nfs/dbraw/zinc/11/07/81/176110781.db2.gz DPMIRNGJRGRLLB-OAHLLOKOSA-N 2 1 254.418 2.410 10 0 CEAEMP CCOC(=O)CCCCC[NH2+][C@H](C)C[NH+](CC)CC ZINC000071293994 176111496 /nfs/dbraw/zinc/11/14/96/176111496.db2.gz UFNSKRDDBFKDFL-CQSZACIVSA-N 2 1 272.433 2.430 10 0 CEAEMP C[N@@H+](CCNCC[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC000071377261 176141918 /nfs/dbraw/zinc/14/19/18/176141918.db2.gz MZDNALZJDOHCBZ-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH+](CCNCC[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC000071377261 176141919 /nfs/dbraw/zinc/14/19/19/176141919.db2.gz MZDNALZJDOHCBZ-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP C[NH+](CCNCC[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000071377261 176141920 /nfs/dbraw/zinc/14/19/20/176141920.db2.gz MZDNALZJDOHCBZ-INIZCTEOSA-N 2 1 267.461 2.325 10 0 CEAEMP CCCOc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071594577 176217746 /nfs/dbraw/zinc/21/77/46/176217746.db2.gz KMJSRAIUYRAJAD-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CCCOc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071594577 176217748 /nfs/dbraw/zinc/21/77/48/176217748.db2.gz KMJSRAIUYRAJAD-UHFFFAOYSA-N 2 1 262.397 2.313 10 0 CEAEMP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000053012181 519744737 /nfs/dbraw/zinc/74/47/37/519744737.db2.gz SYOOLLVDHBRCLG-HNNXBMFYSA-N 2 1 261.413 2.192 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382734 519956882 /nfs/dbraw/zinc/95/68/82/519956882.db2.gz DBEKCBOZSFNUHZ-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C)(CC)CC1)C(N)=O ZINC000068645155 520241247 /nfs/dbraw/zinc/24/12/47/520241247.db2.gz IPBMXPGBHPYZPB-XJKSGUPXSA-N 2 1 283.460 2.131 10 0 CEAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](Cc2cccs2)C2CC2)O1 ZINC000052370729 522059144 /nfs/dbraw/zinc/05/91/44/522059144.db2.gz PQVZXGFDDZNOSE-UONOGXRCSA-N 2 1 280.437 2.480 10 0 CEAEMP C[NH2+]Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)on1 ZINC000052513704 522103842 /nfs/dbraw/zinc/10/38/42/522103842.db2.gz WYWJVPSYPBMEEI-YPMHNXCESA-N 2 1 251.374 2.405 10 0 CEAEMP C[NH2+]Cc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000052453540 522116284 /nfs/dbraw/zinc/11/62/84/522116284.db2.gz WFFONAIYEKPQBY-AWEZNQCLSA-N 2 1 250.411 2.343 10 0 CEAEMP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400724559 533903142 /nfs/dbraw/zinc/90/31/42/533903142.db2.gz PCZDTKFJDCDELI-RRFJBIMHSA-N 2 1 277.412 2.004 10 0 CEAEMP CC(C)(C)N1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953242 518711706 /nfs/dbraw/zinc/71/17/06/518711706.db2.gz QRSIBPDITVYRCX-OAHLLOKOSA-N 2 1 267.461 2.325 10 0 CEAEMP CC(C)CN1CC[NH+](CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083651 519725988 /nfs/dbraw/zinc/72/59/88/519725988.db2.gz JKHPJOHADMZHHQ-INIZCTEOSA-N 2 1 267.461 2.040 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000052475777 519727356 /nfs/dbraw/zinc/72/73/56/519727356.db2.gz ZRHOAIFROINMFT-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000052475777 519727358 /nfs/dbraw/zinc/72/73/58/519727358.db2.gz ZRHOAIFROINMFT-CQSZACIVSA-N 2 1 262.397 2.405 10 0 CEAEMP CC(C)C[C@@H](C[NH+](C)C)NCC[C@H]1CCCC[N@H+]1C ZINC000052206057 519775615 /nfs/dbraw/zinc/77/56/15/519775615.db2.gz PVXWKZBFROIWRC-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052206057 519775616 /nfs/dbraw/zinc/77/56/16/519775616.db2.gz PVXWKZBFROIWRC-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CC(C)C[C@@H](CN(C)C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052206057 519775617 /nfs/dbraw/zinc/77/56/17/519775617.db2.gz PVXWKZBFROIWRC-JKSUJKDBSA-N 2 1 269.477 2.427 10 0 CEAEMP CCC[NH+]1CCC([N@@H+]2Cc3cccc(N)c3C2)CC1 ZINC000049559828 519844318 /nfs/dbraw/zinc/84/43/18/519844318.db2.gz WXLNWVDIHLRIPQ-UHFFFAOYSA-N 2 1 259.397 2.459 10 0 CEAEMP CCC[NH+]1CCC([N@H+]2Cc3cccc(N)c3C2)CC1 ZINC000049559828 519844320 /nfs/dbraw/zinc/84/43/20/519844320.db2.gz WXLNWVDIHLRIPQ-UHFFFAOYSA-N 2 1 259.397 2.459 10 0 CEAEMP CCC[NH2+]CCCCC[NH+]1CCN(CCC)CC1 ZINC000052421992 519912335 /nfs/dbraw/zinc/91/23/35/519912335.db2.gz AOIRPUKCDYWQBA-UHFFFAOYSA-N 2 1 255.450 2.184 10 0 CEAEMP CCC[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382734 519956878 /nfs/dbraw/zinc/95/68/78/519956878.db2.gz DBEKCBOZSFNUHZ-AWEZNQCLSA-N 2 1 262.397 2.407 10 0 CEAEMP CC[NH2+]C[C@](C)(C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000051254958 519983454 /nfs/dbraw/zinc/98/34/54/519983454.db2.gz WQWZAOHBVFLNCO-IAGOWNOFSA-N 2 1 276.424 2.011 10 0 CEAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000068689902 519987768 /nfs/dbraw/zinc/98/77/68/519987768.db2.gz IYFOKJGICOKEFX-UONOGXRCSA-N 2 1 291.443 2.147 10 0 CEAEMP CC[NH2+]Cc1ccc(C[N@@H+](CC)[C@H](C)COC)o1 ZINC000052504793 519994702 /nfs/dbraw/zinc/99/47/02/519994702.db2.gz RNWAOZREJWQSEP-GFCCVEGCSA-N 2 1 254.374 2.246 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000052481824 519999718 /nfs/dbraw/zinc/99/97/18/519999718.db2.gz MPDQLMJFOKRCTC-UHFFFAOYSA-N 2 1 292.423 2.286 10 0 CEAEMP CC[NH2+]Cc1ccc(OCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000052481824 519999723 /nfs/dbraw/zinc/99/97/23/519999723.db2.gz MPDQLMJFOKRCTC-UHFFFAOYSA-N 2 1 292.423 2.286 10 0 CEAEMP CCC[NH2+][C@@H](C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075594 520005899 /nfs/dbraw/zinc/00/58/99/520005899.db2.gz UQLCZBYOWKMIMP-INIZCTEOSA-N 3 1 267.461 2.038 10 0 CEAEMP CCC[NH2+][C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075594 520005912 /nfs/dbraw/zinc/00/59/12/520005912.db2.gz UQLCZBYOWKMIMP-INIZCTEOSA-N 3 1 267.461 2.038 10 0 CEAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)[C@@H](C)COC ZINC000052511943 520006658 /nfs/dbraw/zinc/00/66/58/520006658.db2.gz OHSMZZCDSYCNSJ-ZDUSSCGKSA-N 2 1 250.386 2.263 10 0 CEAEMP CCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCCCCC1=O ZINC000062749599 521521476 /nfs/dbraw/zinc/52/14/76/521521476.db2.gz DPRAYODHGBYBGI-CQSZACIVSA-N 2 1 252.402 2.352 10 0 CEAEMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCCCCC1=O ZINC000062749599 521521482 /nfs/dbraw/zinc/52/14/82/521521482.db2.gz DPRAYODHGBYBGI-CQSZACIVSA-N 2 1 252.402 2.352 10 0 CEAEMP CCC[N@H+](C1CC[NH2+]CC1)[C@H]1CCCCCC1=O ZINC000062749600 521521842 /nfs/dbraw/zinc/52/18/42/521521842.db2.gz DPRAYODHGBYBGI-AWEZNQCLSA-N 2 1 252.402 2.352 10 0 CEAEMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCCCCC1=O ZINC000062749600 521521849 /nfs/dbraw/zinc/52/18/49/521521849.db2.gz DPRAYODHGBYBGI-AWEZNQCLSA-N 2 1 252.402 2.352 10 0 CEAEMP CCCc1[nH+]c2cc(N)ccc2n1CC[N@H+](C)CCOC ZINC000061380857 521541390 /nfs/dbraw/zinc/54/13/90/521541390.db2.gz JMOXABXMHZCDOZ-UHFFFAOYSA-N 2 1 290.411 2.149 10 0 CEAEMP CCCc1[nH+]c2cc(N)ccc2n1CC[N@@H+](C)CCOC ZINC000061380857 521541394 /nfs/dbraw/zinc/54/13/94/521541394.db2.gz JMOXABXMHZCDOZ-UHFFFAOYSA-N 2 1 290.411 2.149 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150109 521626757 /nfs/dbraw/zinc/62/67/57/521626757.db2.gz WPGJYKOHHMZZFL-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150109 521626762 /nfs/dbraw/zinc/62/67/62/521626762.db2.gz WPGJYKOHHMZZFL-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)C1 ZINC000049150109 521626765 /nfs/dbraw/zinc/62/67/65/521626765.db2.gz WPGJYKOHHMZZFL-ARFHVFGLSA-N 2 1 267.461 2.181 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573084 522141954 /nfs/dbraw/zinc/14/19/54/522141954.db2.gz HJDXZLCUNVHDJU-KBPBESRZSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573084 522141961 /nfs/dbraw/zinc/14/19/61/522141961.db2.gz HJDXZLCUNVHDJU-KBPBESRZSA-N 2 1 264.369 2.142 10 0 CEAEMP C[NH2+]Cc1oc(C[N@@H+](C)[C@H]2CCSC2)cc1C ZINC000052453724 522159778 /nfs/dbraw/zinc/15/97/78/522159778.db2.gz WILHUPBKHCIUNB-NSHDSACASA-N 2 1 254.399 2.245 10 0 CEAEMP CC[C@H](C[NH2+]C)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702403 522191053 /nfs/dbraw/zinc/19/10/53/522191053.db2.gz FLTNIKMIJKXCOU-HZPDHXFCSA-N 2 1 262.397 2.276 10 0 CEAEMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CNCc2ccccc21 ZINC000069267512 522659436 /nfs/dbraw/zinc/65/94/36/522659436.db2.gz YFFBAQUOERTWIJ-KRWDZBQOSA-N 2 1 273.424 2.105 10 0 CEAEMP CN(CC1CC[NH+](C)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069267512 522659446 /nfs/dbraw/zinc/65/94/46/522659446.db2.gz YFFBAQUOERTWIJ-KRWDZBQOSA-N 2 1 273.424 2.105 10 0 CEAEMP C[N@@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)[C@@H]1CCSC1 ZINC000052453599 523146653 /nfs/dbraw/zinc/14/66/53/523146653.db2.gz CVFIVNBYAVCOOO-HZSPNIEDSA-N 2 1 286.485 2.359 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570847 523507434 /nfs/dbraw/zinc/50/74/34/523507434.db2.gz DXZCPLUTBIWSAO-SOUVJXGZSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570847 523507444 /nfs/dbraw/zinc/50/74/44/523507444.db2.gz DXZCPLUTBIWSAO-SOUVJXGZSA-N 2 1 256.434 2.367 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571293 523508059 /nfs/dbraw/zinc/50/80/59/523508059.db2.gz SOBJLPNAAOGTKZ-QWHCGFSZSA-N 2 1 266.385 2.307 10 0 CEAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571293 523508067 /nfs/dbraw/zinc/50/80/67/523508067.db2.gz SOBJLPNAAOGTKZ-QWHCGFSZSA-N 2 1 266.385 2.307 10 0 CEAEMP COCC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)c(C)o1 ZINC000052572810 523618789 /nfs/dbraw/zinc/61/87/89/523618789.db2.gz HTQXBHSHRDHTST-UHFFFAOYSA-N 2 1 268.401 2.412 10 0 CEAEMP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763327 523639709 /nfs/dbraw/zinc/63/97/09/523639709.db2.gz ONUXQYXEEXGNNX-CVEARBPZSA-N 2 1 268.445 2.392 10 0 CEAEMP CC[C@@]1(C(=O)NCCCC[N@@H+](C)C(C)C)CCC[NH2+]C1 ZINC000062860559 523694028 /nfs/dbraw/zinc/69/40/28/523694028.db2.gz BRMFAZUMJQLTEM-MRXNPFEDSA-N 2 1 283.460 2.003 10 0 CEAEMP COCC[N@@H+](Cc1occc1C[NH2+]C(C)C)[C@H](C)COC ZINC000052572319 523778708 /nfs/dbraw/zinc/77/87/08/523778708.db2.gz KYXIEWIZIFAMBR-CQSZACIVSA-N 2 1 298.427 2.261 10 0 CEAEMP CC[C@H](C)[N@@H+](CCOC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183564 523939168 /nfs/dbraw/zinc/93/91/68/523939168.db2.gz LXMOCCPMNQMHLU-HNNXBMFYSA-N 2 1 298.471 2.282 10 0 CEAEMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011054 523951081 /nfs/dbraw/zinc/95/10/81/523951081.db2.gz WZMJMAMMKZDXDA-HNNXBMFYSA-N 2 1 274.408 2.312 10 0 CEAEMP C[N@@H+]1CC[C@@H](Cn2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052853050 523961932 /nfs/dbraw/zinc/96/19/32/523961932.db2.gz JZVUABBQVDLLKU-LLVKDONJSA-N 2 1 270.380 2.448 10 0 CEAEMP C[N@H+]1CC[C@@H](Cn2c3ccc(N)cc3[nH+]c2C2CC2)C1 ZINC000052853050 523961935 /nfs/dbraw/zinc/96/19/35/523961935.db2.gz JZVUABBQVDLLKU-LLVKDONJSA-N 2 1 270.380 2.448 10 0 CEAEMP C[C@H](CCC[NH2+]C1CC1)[N@@H+](C)CCc1ccncc1 ZINC000052483126 524142836 /nfs/dbraw/zinc/14/28/36/524142836.db2.gz RYZMAFNNLURYNJ-CQSZACIVSA-N 2 1 261.413 2.477 10 0 CEAEMP C[C@@H]1[C@@H](C)CCC[C@@]1(CN)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068630049 525647013 /nfs/dbraw/zinc/64/70/13/525647013.db2.gz XTKVHMHPSHCBLD-UXLLHSPISA-N 2 1 281.488 2.414 10 0 CEAEMP Cc1oc(C[NH3+])cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417317 526768500 /nfs/dbraw/zinc/76/85/00/526768500.db2.gz GWMRTRJFKHETQG-UHFFFAOYSA-N 2 1 285.391 2.369 10 0 CEAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CC1)C1(CCC1)O2 ZINC000757138713 574510128 /nfs/dbraw/zinc/51/01/28/574510128.db2.gz DJHZODMSYSFTAL-OAHLLOKOSA-N 2 1 250.386 2.121 10 0 CEAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757147312 574510496 /nfs/dbraw/zinc/51/04/96/574510496.db2.gz LLXVRVAQJYSCRC-LBPRGKRZSA-N 2 1 252.402 2.269 10 0 CEAEMP CC[C@@H]1C[NH+](Cc2cc(C#CC[NH3+])cs2)C[C@@H](CC)O1 ZINC000398374530 628525354 /nfs/dbraw/zinc/52/53/54/628525354.db2.gz KAVFLGTWAAPUEA-HUUCEWRRSA-N 2 1 292.448 2.448 10 0 CEAEMP C[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226467017 639547909 /nfs/dbraw/zinc/54/79/09/639547909.db2.gz KKDYUAJYBYXIIV-CABCVRRESA-N 2 1 254.418 2.002 10 0 CEAEMP C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000231458097 639853984 /nfs/dbraw/zinc/85/39/84/639853984.db2.gz JQFIEWSQWLOJKI-GFCCVEGCSA-N 2 1 253.777 2.309 10 0 CEAEMP C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000231458097 639853991 /nfs/dbraw/zinc/85/39/91/639853991.db2.gz JQFIEWSQWLOJKI-GFCCVEGCSA-N 2 1 253.777 2.309 10 0 CEAEMP