smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000159494074 495745654 /nfs/dbraw/zinc/74/56/54/495745654.db2.gz JBNXGQSDILKWFH-AZUAARDMSA-N 2 1 360.546 3.021 20 70 FGIDMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160719233 496027231 /nfs/dbraw/zinc/02/72/31/496027231.db2.gz RFVKTOMOPCOLHK-CRAIPNDOSA-N 2 1 374.554 3.401 20 70 FGIDMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000160444732 495965033 /nfs/dbraw/zinc/96/50/33/495965033.db2.gz WKBCPGNFIJCJFJ-QFIPXVFZSA-N 2 1 352.478 3.305 20 70 FGIDMP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1F ZINC000160520904 495982058 /nfs/dbraw/zinc/98/20/58/495982058.db2.gz LLCFJNUEQJKXJV-KBXCAEBGSA-N 2 1 361.436 3.035 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000161011621 496085434 /nfs/dbraw/zinc/08/54/34/496085434.db2.gz JNENEDLFKNIAQF-LJQANCHMSA-N 2 1 352.567 3.013 20 70 FGIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159804846 495812791 /nfs/dbraw/zinc/81/27/91/495812791.db2.gz JRFQNUKSULSZOH-VIZSFHNOSA-N 2 1 373.585 3.160 20 70 FGIDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160610184 496002825 /nfs/dbraw/zinc/00/28/25/496002825.db2.gz KEWHVCCUBPKDKD-QUGAMOGWSA-N 2 1 372.534 3.107 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Br ZINC000160690688 496021248 /nfs/dbraw/zinc/02/12/48/496021248.db2.gz RFWSYWOITGHKEE-UKRRQHHQSA-N 2 1 373.310 3.476 20 70 FGIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000161025951 496087915 /nfs/dbraw/zinc/08/79/15/496087915.db2.gz DIOLUJDZQRIQNY-QGZVFWFLSA-N 2 1 361.530 3.374 20 70 FGIDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000161025951 496087917 /nfs/dbraw/zinc/08/79/17/496087917.db2.gz DIOLUJDZQRIQNY-QGZVFWFLSA-N 2 1 361.530 3.374 20 70 FGIDMP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159586009 495764720 /nfs/dbraw/zinc/76/47/20/495764720.db2.gz QPGXVFPRHMCZIL-PZJWPPBQSA-N 2 1 372.557 3.167 20 70 FGIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000160012612 495863587 /nfs/dbraw/zinc/86/35/87/495863587.db2.gz IOGTYAVMYRGKPC-GIVPXCGWSA-N 2 1 372.557 3.023 20 70 FGIDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000160012612 495863590 /nfs/dbraw/zinc/86/35/90/495863590.db2.gz IOGTYAVMYRGKPC-GIVPXCGWSA-N 2 1 372.557 3.023 20 70 FGIDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000160012612 495863595 /nfs/dbraw/zinc/86/35/95/495863595.db2.gz IOGTYAVMYRGKPC-GIVPXCGWSA-N 2 1 372.557 3.023 20 70 FGIDMP C[NH+](C)CCCC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000160312506 495932348 /nfs/dbraw/zinc/93/23/48/495932348.db2.gz SENAEJQXXGLQKM-UHFFFAOYSA-N 2 1 366.594 3.404 20 70 FGIDMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000160429000 495960570 /nfs/dbraw/zinc/96/05/70/495960570.db2.gz PJGGHOXXQGFKDF-QGZVFWFLSA-N 2 1 367.493 3.328 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1Br ZINC000160686189 496019694 /nfs/dbraw/zinc/01/96/94/496019694.db2.gz NSUDCBXWKSVZHC-HUUCEWRRSA-N 2 1 355.320 3.337 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)s1 ZINC000160685797 496019844 /nfs/dbraw/zinc/01/98/44/496019844.db2.gz BPTWMKNDWANJLQ-QWHCGFSZSA-N 2 1 361.349 3.398 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000160761539 496036787 /nfs/dbraw/zinc/03/67/87/496036787.db2.gz FWHZJUQBDANQKB-GOEBONIOSA-N 2 1 360.420 3.473 20 70 FGIDMP Cc1nc2ccccn2c1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160982056 496079106 /nfs/dbraw/zinc/07/91/06/496079106.db2.gz BBKQSHZWXHQKSA-HDICACEKSA-N 2 1 370.541 3.354 20 70 FGIDMP C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159586148 495764635 /nfs/dbraw/zinc/76/46/35/495764635.db2.gz QPGXVFPRHMCZIL-TZIWHRDSSA-N 2 1 372.557 3.167 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159920062 495841661 /nfs/dbraw/zinc/84/16/61/495841661.db2.gz IMXKNWNOYMPLNX-GHTZIAJQSA-N 2 1 372.557 3.023 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)s1 ZINC000160685930 496020004 /nfs/dbraw/zinc/02/00/04/496020004.db2.gz BPTWMKNDWANJLQ-CHWSQXEVSA-N 2 1 361.349 3.398 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000160760948 496037339 /nfs/dbraw/zinc/03/73/39/496037339.db2.gz GELZVNWDINKVGG-GOEBONIOSA-N 2 1 360.420 3.473 20 70 FGIDMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160358760 495945062 /nfs/dbraw/zinc/94/50/62/495945062.db2.gz NJKWYOKRCUWKPT-IBGZPJMESA-N 2 1 366.594 3.262 20 70 FGIDMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000160444613 495965664 /nfs/dbraw/zinc/96/56/64/495965664.db2.gz WKBCPGNFIJCJFJ-JOCHJYFZSA-N 2 1 352.478 3.305 20 70 FGIDMP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1F ZINC000160520654 495981691 /nfs/dbraw/zinc/98/16/91/495981691.db2.gz LLCFJNUEQJKXJV-KSSFIOAISA-N 2 1 361.436 3.035 20 70 FGIDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000159446476 495734454 /nfs/dbraw/zinc/73/44/54/495734454.db2.gz GZLCORSKJJBNMD-QGZVFWFLSA-N 2 1 373.501 3.016 20 70 FGIDMP C[C@H]1C[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000160358502 495944753 /nfs/dbraw/zinc/94/47/53/495944753.db2.gz CCIYCJHUVRNCDZ-RXVVDRJESA-N 2 1 372.557 3.023 20 70 FGIDMP CCC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160399050 495954642 /nfs/dbraw/zinc/95/46/42/495954642.db2.gz CCKJLBGWCONNBP-OAQYLSRUSA-N 2 1 372.557 3.167 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Br)c1 ZINC000160675347 496016849 /nfs/dbraw/zinc/01/68/49/496016849.db2.gz DVHCQYXRHMHFJY-DZGCQCFKSA-N 2 1 373.310 3.476 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000160675691 496017078 /nfs/dbraw/zinc/01/70/78/496017078.db2.gz XCKMTMWJKVJZAK-SJLPKXTDSA-N 2 1 367.331 3.263 20 70 FGIDMP COc1cc(OC)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000160743048 496033421 /nfs/dbraw/zinc/03/34/21/496033421.db2.gz QYLBDYLPSZWTGK-HUUCEWRRSA-N 2 1 370.921 3.245 20 70 FGIDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC000159451820 495736209 /nfs/dbraw/zinc/73/62/09/495736209.db2.gz HCECGSKOBZNOEB-NHCUHLMSSA-N 2 1 369.553 3.231 20 70 FGIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000159494361 495745353 /nfs/dbraw/zinc/74/53/53/495745353.db2.gz JBNXGQSDILKWFH-ICSRJNTNSA-N 2 1 360.546 3.021 20 70 FGIDMP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159585906 495764046 /nfs/dbraw/zinc/76/40/46/495764046.db2.gz QPGXVFPRHMCZIL-CTNGQTDRSA-N 2 1 372.557 3.167 20 70 FGIDMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160719339 496027466 /nfs/dbraw/zinc/02/74/66/496027466.db2.gz RFVKTOMOPCOLHK-MAUKXSAKSA-N 2 1 374.554 3.401 20 70 FGIDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc(C)ccc2c1 ZINC000161260672 496139553 /nfs/dbraw/zinc/13/95/53/496139553.db2.gz MOYVZFXJPRQKQS-HXUWFJFHSA-N 2 1 368.525 3.031 20 70 FGIDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)[C@H](C)C1 ZINC000159981408 495855911 /nfs/dbraw/zinc/85/59/11/495855911.db2.gz KZTAYNLAKUVWIF-UWVAXJGDSA-N 2 1 364.530 3.491 20 70 FGIDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)[C@H](C)C1 ZINC000159981408 495855931 /nfs/dbraw/zinc/85/59/31/495855931.db2.gz KZTAYNLAKUVWIF-UWVAXJGDSA-N 2 1 364.530 3.491 20 70 FGIDMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000216910739 496993143 /nfs/dbraw/zinc/99/31/43/496993143.db2.gz SCODUEDVHVPFSO-FQEVSTJZSA-N 2 1 360.546 3.021 20 70 FGIDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160202482 495908137 /nfs/dbraw/zinc/90/81/37/495908137.db2.gz LQSURGKQWZSVJM-GHTZIAJQSA-N 2 1 372.557 3.194 20 70 FGIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000160470675 495970516 /nfs/dbraw/zinc/97/05/16/495970516.db2.gz CHHQITQDYJHHOS-KRWDZBQOSA-N 2 1 368.477 3.141 20 70 FGIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000160475749 495971303 /nfs/dbraw/zinc/97/13/03/495971303.db2.gz UQXOUGGZVDBFNJ-QLXKLKPCSA-N 2 1 372.534 3.107 20 70 FGIDMP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160057094 495873490 /nfs/dbraw/zinc/87/34/90/495873490.db2.gz GJHWIFFIHBNNRG-NRFANRHFSA-N 2 1 372.557 3.024 20 70 FGIDMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000161100088 496103786 /nfs/dbraw/zinc/10/37/86/496103786.db2.gz XKKSBXSGTRHRLO-LNLFQRSKSA-N 2 1 361.530 3.067 20 70 FGIDMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000161099873 496103803 /nfs/dbraw/zinc/10/38/03/496103803.db2.gz XKKSBXSGTRHRLO-AOIWGVFYSA-N 2 1 361.530 3.067 20 70 FGIDMP C[C@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159705393 495791901 /nfs/dbraw/zinc/79/19/01/495791901.db2.gz LPGHPNKNJDEYNO-FPOVZHCZSA-N 3 1 359.558 3.130 20 70 FGIDMP C[C@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000159705393 495791904 /nfs/dbraw/zinc/79/19/04/495791904.db2.gz LPGHPNKNJDEYNO-FPOVZHCZSA-N 2 1 359.558 3.130 20 70 FGIDMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000159766142 495805213 /nfs/dbraw/zinc/80/52/13/495805213.db2.gz KCRFYNRYGQWRGC-FQEVSTJZSA-N 2 1 364.578 3.016 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159939753 495845500 /nfs/dbraw/zinc/84/55/00/495845500.db2.gz GNEQKBBBSDTUFN-AZUAARDMSA-N 2 1 372.557 3.165 20 70 FGIDMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161097361 496102175 /nfs/dbraw/zinc/10/21/75/496102175.db2.gz LHBRSECPQCIHOM-LBFURVHYSA-N 2 1 357.542 3.419 20 70 FGIDMP CC(C)CNC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161189833 496123439 /nfs/dbraw/zinc/12/34/39/496123439.db2.gz WYFOFGVFZGESHA-KRWDZBQOSA-N 2 1 360.546 3.037 20 70 FGIDMP Cc1ccc(CNC(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000161374311 496162659 /nfs/dbraw/zinc/16/26/59/496162659.db2.gz KKANKYOUIXNGOK-UHFFFAOYSA-N 2 1 357.542 3.199 20 70 FGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159724117 495795129 /nfs/dbraw/zinc/79/51/29/495795129.db2.gz MDMCNDOUYMUCHU-QTEQDKRBSA-N 2 1 373.585 3.376 20 70 FGIDMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159724117 495795136 /nfs/dbraw/zinc/79/51/36/495795136.db2.gz MDMCNDOUYMUCHU-QTEQDKRBSA-N 2 1 373.585 3.376 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000159781402 495806992 /nfs/dbraw/zinc/80/69/92/495806992.db2.gz SJAFWIOIAKZKQV-UHFFFAOYSA-N 2 1 372.557 3.300 20 70 FGIDMP CC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000160753522 496036102 /nfs/dbraw/zinc/03/61/02/496036102.db2.gz PQKGRMGHGJOTEI-SFHVURJKSA-N 2 1 364.578 3.157 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)(F)F ZINC000160676393 496017228 /nfs/dbraw/zinc/01/72/28/496017228.db2.gz FDTIPNDLBLZBJC-LSDHHAIUSA-N 2 1 360.420 3.473 20 70 FGIDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161146566 496113267 /nfs/dbraw/zinc/11/32/67/496113267.db2.gz WOQBHSPVFDYNTF-BJZITVGISA-N 2 1 353.913 3.373 20 70 FGIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161146566 496113271 /nfs/dbraw/zinc/11/32/71/496113271.db2.gz WOQBHSPVFDYNTF-BJZITVGISA-N 2 1 353.913 3.373 20 70 FGIDMP C[C@@H]1C[NH+](CCC2CCN(CCC[NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000161399109 496168997 /nfs/dbraw/zinc/16/89/97/496168997.db2.gz KPRHJPDYUWJQQE-WOJBJXKFSA-N 2 1 351.579 3.074 20 70 FGIDMP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000161483092 496184026 /nfs/dbraw/zinc/18/40/26/496184026.db2.gz HHZVJWBWCMHWFV-FQEVSTJZSA-N 2 1 356.485 3.198 20 70 FGIDMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1S(C)(=O)=O ZINC000160266989 495922067 /nfs/dbraw/zinc/92/20/67/495922067.db2.gz HMYOIRLASOTEIP-HOTGVXAUSA-N 2 1 368.543 3.014 20 70 FGIDMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1S(C)(=O)=O ZINC000160266989 495922069 /nfs/dbraw/zinc/92/20/69/495922069.db2.gz HMYOIRLASOTEIP-HOTGVXAUSA-N 2 1 368.543 3.014 20 70 FGIDMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160711560 496025563 /nfs/dbraw/zinc/02/55/63/496025563.db2.gz RMHJQXSILGVMEI-LAUBAEHRSA-N 2 1 356.514 3.068 20 70 FGIDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160711560 496025568 /nfs/dbraw/zinc/02/55/68/496025568.db2.gz RMHJQXSILGVMEI-LAUBAEHRSA-N 3 1 356.514 3.068 20 70 FGIDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160711560 496025574 /nfs/dbraw/zinc/02/55/74/496025574.db2.gz RMHJQXSILGVMEI-LAUBAEHRSA-N 3 1 356.514 3.068 20 70 FGIDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160867020 496057994 /nfs/dbraw/zinc/05/79/94/496057994.db2.gz USIWOPJCRWPWOH-GOSISDBHSA-N 2 1 366.594 3.260 20 70 FGIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161029512 496089310 /nfs/dbraw/zinc/08/93/10/496089310.db2.gz HRDPNLDOKPKGBC-VQTJNVASSA-N 2 1 364.578 3.157 20 70 FGIDMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161378126 496163224 /nfs/dbraw/zinc/16/32/24/496163224.db2.gz UIRRVXQAZMFYGL-MRXNPFEDSA-N 2 1 350.528 3.235 20 70 FGIDMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161378126 496163227 /nfs/dbraw/zinc/16/32/27/496163227.db2.gz UIRRVXQAZMFYGL-MRXNPFEDSA-N 2 1 350.528 3.235 20 70 FGIDMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000160573887 495994654 /nfs/dbraw/zinc/99/46/54/495994654.db2.gz MBJGUFOMBOZWOT-QGZVFWFLSA-N 2 1 367.493 3.328 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000160761658 496036919 /nfs/dbraw/zinc/03/69/19/496036919.db2.gz FWHZJUQBDANQKB-GDBMZVCRSA-N 2 1 360.420 3.473 20 70 FGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159724253 495795204 /nfs/dbraw/zinc/79/52/04/495795204.db2.gz MDMCNDOUYMUCHU-TXTKFYIRSA-N 2 1 373.585 3.376 20 70 FGIDMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159724253 495795209 /nfs/dbraw/zinc/79/52/09/495795209.db2.gz MDMCNDOUYMUCHU-TXTKFYIRSA-N 2 1 373.585 3.376 20 70 FGIDMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160357912 495944484 /nfs/dbraw/zinc/94/44/84/495944484.db2.gz BNLAXCZTZGZOIV-IBGZPJMESA-N 2 1 366.594 3.404 20 70 FGIDMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cnn1-c1ccc(F)cc1 ZINC000160692511 496022188 /nfs/dbraw/zinc/02/21/88/496022188.db2.gz QNXSPFKGLLDJDH-OXQOHEQNSA-N 2 1 374.504 3.207 20 70 FGIDMP CC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000160753655 496036026 /nfs/dbraw/zinc/03/60/26/496036026.db2.gz PQKGRMGHGJOTEI-GOSISDBHSA-N 2 1 364.578 3.157 20 70 FGIDMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159842073 495823143 /nfs/dbraw/zinc/82/31/43/495823143.db2.gz ZDTKITNHCFWAOX-NRFANRHFSA-N 2 1 355.526 3.032 20 70 FGIDMP CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000161100209 496104164 /nfs/dbraw/zinc/10/41/64/496104164.db2.gz XKKSBXSGTRHRLO-JENIJYKNSA-N 2 1 361.530 3.067 20 70 FGIDMP COc1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000161323014 496152411 /nfs/dbraw/zinc/15/24/11/496152411.db2.gz WTOBMSQPTVAEEP-QFIPXVFZSA-N 2 1 372.484 3.164 20 70 FGIDMP C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159585780 495764563 /nfs/dbraw/zinc/76/45/63/495764563.db2.gz QPGXVFPRHMCZIL-FPOVZHCZSA-N 2 1 372.557 3.167 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159940035 495846575 /nfs/dbraw/zinc/84/65/75/495846575.db2.gz GNEQKBBBSDTUFN-UYAOXDASSA-N 2 1 372.557 3.165 20 70 FGIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000160475512 495970844 /nfs/dbraw/zinc/97/08/44/495970844.db2.gz UQXOUGGZVDBFNJ-MRDQGFSESA-N 2 1 372.534 3.107 20 70 FGIDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCO2 ZINC000160573024 495995063 /nfs/dbraw/zinc/99/50/63/495995063.db2.gz ZONBJDUCONPOPL-INIZCTEOSA-N 2 1 354.450 3.098 20 70 FGIDMP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000161291076 496144977 /nfs/dbraw/zinc/14/49/77/496144977.db2.gz YZOUDQNOTAQVLG-PPNDLDFTSA-N 2 1 357.542 3.455 20 70 FGIDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159615941 495771389 /nfs/dbraw/zinc/77/13/89/495771389.db2.gz AQXJOBFWEGBZHR-GFCCVEGCSA-N 2 1 356.507 3.189 20 70 FGIDMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000159766021 495805182 /nfs/dbraw/zinc/80/51/82/495805182.db2.gz KCRFYNRYGQWRGC-HXUWFJFHSA-N 2 1 364.578 3.016 20 70 FGIDMP CCCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000159813675 495815905 /nfs/dbraw/zinc/81/59/05/495815905.db2.gz WAZWFBARHUOJNH-CTNGQTDRSA-N 2 1 374.573 3.413 20 70 FGIDMP CCCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159813675 495815909 /nfs/dbraw/zinc/81/59/09/495815909.db2.gz WAZWFBARHUOJNH-CTNGQTDRSA-N 2 1 374.573 3.413 20 70 FGIDMP CCCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159813675 495815913 /nfs/dbraw/zinc/81/59/13/495815913.db2.gz WAZWFBARHUOJNH-CTNGQTDRSA-N 2 1 374.573 3.413 20 70 FGIDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160357803 495944831 /nfs/dbraw/zinc/94/48/31/495944831.db2.gz BNLAXCZTZGZOIV-LJQANCHMSA-N 2 1 366.594 3.404 20 70 FGIDMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000161189549 496123460 /nfs/dbraw/zinc/12/34/60/496123460.db2.gz OLSPRAGBQYRAJS-OAQYLSRUSA-N 2 1 366.509 3.103 20 70 FGIDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc(C)ccc2c1 ZINC000161260810 496139901 /nfs/dbraw/zinc/13/99/01/496139901.db2.gz MOYVZFXJPRQKQS-FQEVSTJZSA-N 2 1 368.525 3.031 20 70 FGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159723986 495794679 /nfs/dbraw/zinc/79/46/79/495794679.db2.gz MDMCNDOUYMUCHU-VIZSFHNOSA-N 2 1 373.585 3.376 20 70 FGIDMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159723986 495794687 /nfs/dbraw/zinc/79/46/87/495794687.db2.gz MDMCNDOUYMUCHU-VIZSFHNOSA-N 2 1 373.585 3.376 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159920201 495841435 /nfs/dbraw/zinc/84/14/35/495841435.db2.gz IMXKNWNOYMPLNX-RXVVDRJESA-N 2 1 372.557 3.023 20 70 FGIDMP C[NH+](C)CC1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000160193553 495905309 /nfs/dbraw/zinc/90/53/09/495905309.db2.gz VTAYOVPVEIXZSY-UHFFFAOYSA-N 2 1 374.573 3.317 20 70 FGIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000160361859 495945530 /nfs/dbraw/zinc/94/55/30/495945530.db2.gz SPXNOWWQVAAPAT-IBGZPJMESA-N 2 1 369.557 3.452 20 70 FGIDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(C)nn(C)c1C ZINC000160636864 496009104 /nfs/dbraw/zinc/00/91/04/496009104.db2.gz NUGUTWUODPOFCD-HXUWFJFHSA-N 2 1 356.514 3.110 20 70 FGIDMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1SC ZINC000160734728 496030844 /nfs/dbraw/zinc/03/08/44/496030844.db2.gz PMKDORPTRLEFFK-NVXWUHKLSA-N 2 1 352.544 3.305 20 70 FGIDMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160711426 496025520 /nfs/dbraw/zinc/02/55/20/496025520.db2.gz RMHJQXSILGVMEI-DYESRHJHSA-N 2 1 356.514 3.068 20 70 FGIDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160711426 496025527 /nfs/dbraw/zinc/02/55/27/496025527.db2.gz RMHJQXSILGVMEI-DYESRHJHSA-N 3 1 356.514 3.068 20 70 FGIDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160711426 496025533 /nfs/dbraw/zinc/02/55/33/496025533.db2.gz RMHJQXSILGVMEI-DYESRHJHSA-N 3 1 356.514 3.068 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160767902 496037533 /nfs/dbraw/zinc/03/75/33/496037533.db2.gz GDFMYPHDRIQCJZ-CRAIPNDOSA-N 2 1 372.431 3.399 20 70 FGIDMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000161126632 496109202 /nfs/dbraw/zinc/10/92/02/496109202.db2.gz SNCUVGFYACMUJV-UHFFFAOYSA-N 2 1 370.468 3.394 20 70 FGIDMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000160271464 495923645 /nfs/dbraw/zinc/92/36/45/495923645.db2.gz ZTRFOSMFCXLYAN-IRXDYDNUSA-N 2 1 367.559 3.363 20 70 FGIDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160202345 495908011 /nfs/dbraw/zinc/90/80/11/495908011.db2.gz LQSURGKQWZSVJM-RXVVDRJESA-N 2 1 372.557 3.194 20 70 FGIDMP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000160358370 495944342 /nfs/dbraw/zinc/94/43/42/495944342.db2.gz CCIYCJHUVRNCDZ-NQIIRXRSSA-N 2 1 372.557 3.023 20 70 FGIDMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000159716836 495794281 /nfs/dbraw/zinc/79/42/81/495794281.db2.gz ADTNQFWFJZPMIG-NFBKMPQASA-N 3 1 373.585 3.378 20 70 FGIDMP CCN1CC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000159716836 495794286 /nfs/dbraw/zinc/79/42/86/495794286.db2.gz ADTNQFWFJZPMIG-NFBKMPQASA-N 2 1 373.585 3.378 20 70 FGIDMP C[C@H]1C[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000160358744 495944591 /nfs/dbraw/zinc/94/45/91/495944591.db2.gz CCIYCJHUVRNCDZ-GHTZIAJQSA-N 2 1 372.557 3.023 20 70 FGIDMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000160573749 495995048 /nfs/dbraw/zinc/99/50/48/495995048.db2.gz MBJGUFOMBOZWOT-KRWDZBQOSA-N 2 1 367.493 3.328 20 70 FGIDMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)n1 ZINC000160693645 496022396 /nfs/dbraw/zinc/02/23/96/496022396.db2.gz SIAYXMMJLSERJA-RYQLBKOJSA-N 2 1 351.560 3.253 20 70 FGIDMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161378240 496163211 /nfs/dbraw/zinc/16/32/11/496163211.db2.gz UIRRVXQAZMFYGL-INIZCTEOSA-N 2 1 350.528 3.235 20 70 FGIDMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161378240 496163212 /nfs/dbraw/zinc/16/32/12/496163212.db2.gz UIRRVXQAZMFYGL-INIZCTEOSA-N 2 1 350.528 3.235 20 70 FGIDMP C[N@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC[C@@H]21 ZINC000161392481 496167611 /nfs/dbraw/zinc/16/76/11/496167611.db2.gz BDBXLWWWOQRKHK-JEBQAFNWSA-N 2 1 365.880 3.001 20 70 FGIDMP CC[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccc(F)cc1 ZINC000161398792 496168369 /nfs/dbraw/zinc/16/83/69/496168369.db2.gz CCUGGLYRZRRMPX-JGUMPVPUSA-N 2 1 373.516 3.089 20 70 FGIDMP COc1cccc(CCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000159956365 495849646 /nfs/dbraw/zinc/84/96/46/495849646.db2.gz BFAOJGJZCLCWCX-BGYRXZFFSA-N 2 1 359.558 3.118 20 70 FGIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160061071 495874815 /nfs/dbraw/zinc/87/48/15/495874815.db2.gz XQUHLNMJYDKRPG-HNNXBMFYSA-N 2 1 351.922 3.265 20 70 FGIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160061071 495874817 /nfs/dbraw/zinc/87/48/17/495874817.db2.gz XQUHLNMJYDKRPG-HNNXBMFYSA-N 2 1 351.922 3.265 20 70 FGIDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160393980 495953174 /nfs/dbraw/zinc/95/31/74/495953174.db2.gz YDNYKYVUSNFZKP-GOSISDBHSA-N 2 1 352.567 3.157 20 70 FGIDMP c1ccc(N2CCC([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC000160473270 495971592 /nfs/dbraw/zinc/97/15/92/495971592.db2.gz POZYEIPINUJXQT-UHFFFAOYSA-N 2 1 365.521 3.277 20 70 FGIDMP c1ccc(N2CCC([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000160608216 496002753 /nfs/dbraw/zinc/00/27/53/496002753.db2.gz PYOJULOJNVPCHI-UHFFFAOYSA-N 2 1 365.521 3.277 20 70 FGIDMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000160841932 496052021 /nfs/dbraw/zinc/05/20/21/496052021.db2.gz YEFJHZDKYIPDFK-HXUWFJFHSA-N 2 1 372.557 3.085 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000160926641 496069137 /nfs/dbraw/zinc/06/91/37/496069137.db2.gz NUXKTRBALRCMTD-UYAOXDASSA-N 2 1 361.574 3.220 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000160926641 496069139 /nfs/dbraw/zinc/06/91/39/496069139.db2.gz NUXKTRBALRCMTD-UYAOXDASSA-N 2 1 361.574 3.220 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000160926641 496069140 /nfs/dbraw/zinc/06/91/40/496069140.db2.gz NUXKTRBALRCMTD-UYAOXDASSA-N 2 1 361.574 3.220 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000160926641 496069142 /nfs/dbraw/zinc/06/91/42/496069142.db2.gz NUXKTRBALRCMTD-UYAOXDASSA-N 2 1 361.574 3.220 20 70 FGIDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000161026067 496088198 /nfs/dbraw/zinc/08/81/98/496088198.db2.gz DIOLUJDZQRIQNY-KRWDZBQOSA-N 2 1 361.530 3.374 20 70 FGIDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000161026067 496088203 /nfs/dbraw/zinc/08/82/03/496088203.db2.gz DIOLUJDZQRIQNY-KRWDZBQOSA-N 2 1 361.530 3.374 20 70 FGIDMP C[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159705258 495791640 /nfs/dbraw/zinc/79/16/40/495791640.db2.gz LPGHPNKNJDEYNO-CTNGQTDRSA-N 3 1 359.558 3.130 20 70 FGIDMP C[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000159705258 495791645 /nfs/dbraw/zinc/79/16/45/495791645.db2.gz LPGHPNKNJDEYNO-CTNGQTDRSA-N 2 1 359.558 3.130 20 70 FGIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160132339 495891833 /nfs/dbraw/zinc/89/18/33/495891833.db2.gz QENZLDBFWHAOFW-OAHLLOKOSA-N 2 1 351.922 3.265 20 70 FGIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160132339 495891841 /nfs/dbraw/zinc/89/18/41/495891841.db2.gz QENZLDBFWHAOFW-OAHLLOKOSA-N 2 1 351.922 3.265 20 70 FGIDMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000160255853 495920423 /nfs/dbraw/zinc/92/04/23/495920423.db2.gz PVNVAOVFWRVKHB-GJZGRUSLSA-N 2 1 352.910 3.306 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000160706925 496024018 /nfs/dbraw/zinc/02/40/18/496024018.db2.gz PFOHHFBKZHJPHH-HXUWFJFHSA-N 2 1 365.949 3.135 20 70 FGIDMP COc1cc(OC)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000160742900 496033160 /nfs/dbraw/zinc/03/31/60/496033160.db2.gz QYLBDYLPSZWTGK-LSDHHAIUSA-N 2 1 370.921 3.245 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160768034 496039277 /nfs/dbraw/zinc/03/92/77/496039277.db2.gz GDFMYPHDRIQCJZ-QAPCUYQASA-N 2 1 372.431 3.399 20 70 FGIDMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000160428878 495960677 /nfs/dbraw/zinc/96/06/77/495960677.db2.gz PJGGHOXXQGFKDF-KRWDZBQOSA-N 2 1 367.493 3.328 20 70 FGIDMP Cc1cccc2nc(C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)cn21 ZINC000160305235 495931960 /nfs/dbraw/zinc/93/19/60/495931960.db2.gz CBBMNVUENRRJQR-QGZVFWFLSA-N 2 1 352.482 3.434 20 70 FGIDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCO2 ZINC000160573152 495994546 /nfs/dbraw/zinc/99/45/46/495994546.db2.gz ZONBJDUCONPOPL-MRXNPFEDSA-N 2 1 354.450 3.098 20 70 FGIDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000159446610 495734690 /nfs/dbraw/zinc/73/46/90/495734690.db2.gz GZLCORSKJJBNMD-KRWDZBQOSA-N 2 1 373.501 3.016 20 70 FGIDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159615770 495771361 /nfs/dbraw/zinc/77/13/61/495771361.db2.gz AQXJOBFWEGBZHR-LBPRGKRZSA-N 2 1 356.507 3.189 20 70 FGIDMP CCCc1ccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000159698261 495789343 /nfs/dbraw/zinc/78/93/43/495789343.db2.gz NABJLIUJSQUERH-WCRBZPEASA-N 2 1 370.541 3.414 20 70 FGIDMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000160333831 495939089 /nfs/dbraw/zinc/93/90/89/495939089.db2.gz KBBLEVXWIPYYMP-GIVPXCGWSA-N 2 1 372.557 3.165 20 70 FGIDMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000160333831 495939094 /nfs/dbraw/zinc/93/90/94/495939094.db2.gz KBBLEVXWIPYYMP-GIVPXCGWSA-N 2 1 372.557 3.165 20 70 FGIDMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000160333831 495939098 /nfs/dbraw/zinc/93/90/98/495939098.db2.gz KBBLEVXWIPYYMP-GIVPXCGWSA-N 2 1 372.557 3.165 20 70 FGIDMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC000160400473 495954219 /nfs/dbraw/zinc/95/42/19/495954219.db2.gz QNTGHSFYMGXOOO-GIVPXCGWSA-N 2 1 353.595 3.224 20 70 FGIDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000160606207 496001486 /nfs/dbraw/zinc/00/14/86/496001486.db2.gz QZULYRKWMCTAJJ-QGZVFWFLSA-N 2 1 368.477 3.141 20 70 FGIDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160867152 496057798 /nfs/dbraw/zinc/05/77/98/496057798.db2.gz USIWOPJCRWPWOH-SFHVURJKSA-N 2 1 366.594 3.260 20 70 FGIDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000217198308 496996277 /nfs/dbraw/zinc/99/62/77/496996277.db2.gz XNAXYLJFVZWENL-AZUAARDMSA-N 2 1 351.579 3.467 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC1 ZINC000159599259 495767528 /nfs/dbraw/zinc/76/75/28/495767528.db2.gz KLQKWPYBBARMIX-IBGZPJMESA-N 2 1 372.557 3.298 20 70 FGIDMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159599259 495767532 /nfs/dbraw/zinc/76/75/32/495767532.db2.gz KLQKWPYBBARMIX-IBGZPJMESA-N 2 1 372.557 3.298 20 70 FGIDMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159599259 495767537 /nfs/dbraw/zinc/76/75/37/495767537.db2.gz KLQKWPYBBARMIX-IBGZPJMESA-N 2 1 372.557 3.298 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC1 ZINC000159599836 495767808 /nfs/dbraw/zinc/76/78/08/495767808.db2.gz VNQMWCGTGGWMIY-IBGZPJMESA-N 2 1 372.557 3.156 20 70 FGIDMP CC[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000159599836 495767812 /nfs/dbraw/zinc/76/78/12/495767812.db2.gz VNQMWCGTGGWMIY-IBGZPJMESA-N 2 1 372.557 3.156 20 70 FGIDMP CC[NH+]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000159599836 495767817 /nfs/dbraw/zinc/76/78/17/495767817.db2.gz VNQMWCGTGGWMIY-IBGZPJMESA-N 2 1 372.557 3.156 20 70 FGIDMP C[C@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159705143 495792193 /nfs/dbraw/zinc/79/21/93/495792193.db2.gz LPGHPNKNJDEYNO-PZJWPPBQSA-N 3 1 359.558 3.130 20 70 FGIDMP C[C@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000159705143 495792197 /nfs/dbraw/zinc/79/21/97/495792197.db2.gz LPGHPNKNJDEYNO-PZJWPPBQSA-N 2 1 359.558 3.130 20 70 FGIDMP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160056991 495873390 /nfs/dbraw/zinc/87/33/90/495873390.db2.gz GJHWIFFIHBNNRG-OAQYLSRUSA-N 2 1 372.557 3.024 20 70 FGIDMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cnn1-c1ccc(F)cc1 ZINC000160692647 496021958 /nfs/dbraw/zinc/02/19/58/496021958.db2.gz QNXSPFKGLLDJDH-OXJNMPFZSA-N 2 1 374.504 3.207 20 70 FGIDMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1)C(C)C ZINC000161288391 496145064 /nfs/dbraw/zinc/14/50/64/496145064.db2.gz IXODCWCNBIMOIQ-QGZVFWFLSA-N 2 1 356.514 3.488 20 70 FGIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1)C(C)C ZINC000161288391 496145069 /nfs/dbraw/zinc/14/50/69/496145069.db2.gz IXODCWCNBIMOIQ-QGZVFWFLSA-N 2 1 356.514 3.488 20 70 FGIDMP CC(=O)NC1CCC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000161288957 496145276 /nfs/dbraw/zinc/14/52/76/496145276.db2.gz CPRKBHJGHRFBNY-YTXWROIDSA-N 2 1 357.542 3.455 20 70 FGIDMP CC(=O)NC1CCC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000161288831 496145657 /nfs/dbraw/zinc/14/56/57/496145657.db2.gz CPRKBHJGHRFBNY-PPNDLDFTSA-N 2 1 357.542 3.455 20 70 FGIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160060943 495874789 /nfs/dbraw/zinc/87/47/89/495874789.db2.gz XQUHLNMJYDKRPG-OAHLLOKOSA-N 2 1 351.922 3.265 20 70 FGIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160060943 495874795 /nfs/dbraw/zinc/87/47/95/495874795.db2.gz XQUHLNMJYDKRPG-OAHLLOKOSA-N 2 1 351.922 3.265 20 70 FGIDMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000160842045 496052168 /nfs/dbraw/zinc/05/21/68/496052168.db2.gz YEFJHZDKYIPDFK-FQEVSTJZSA-N 2 1 372.557 3.085 20 70 FGIDMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000161295770 496146020 /nfs/dbraw/zinc/14/60/20/496146020.db2.gz KPSSCIJEKPLDRL-MRXNPFEDSA-N 2 1 371.447 3.161 20 70 FGIDMP Cc1nc2ccccn2c1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000160536497 495985496 /nfs/dbraw/zinc/98/54/96/495985496.db2.gz MHDBFLCUNWUWON-UHFFFAOYSA-N 2 1 363.509 3.177 20 70 FGIDMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000160618216 496004567 /nfs/dbraw/zinc/00/45/67/496004567.db2.gz WEQAQAYMDWOOLJ-GOSISDBHSA-N 2 1 357.523 3.451 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000160751096 496034396 /nfs/dbraw/zinc/03/43/96/496034396.db2.gz FQKISABHCIMPIK-DZGCQCFKSA-N 2 1 360.420 3.315 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC1 ZINC000159598915 495766250 /nfs/dbraw/zinc/76/62/50/495766250.db2.gz USTDOMKAOGNADP-IBGZPJMESA-N 2 1 372.557 3.298 20 70 FGIDMP CC[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000159598915 495766253 /nfs/dbraw/zinc/76/62/53/495766253.db2.gz USTDOMKAOGNADP-IBGZPJMESA-N 2 1 372.557 3.298 20 70 FGIDMP CCCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000159813501 495815511 /nfs/dbraw/zinc/81/55/11/495815511.db2.gz WAZWFBARHUOJNH-TZIWHRDSSA-N 2 1 374.573 3.413 20 70 FGIDMP CCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159813501 495815515 /nfs/dbraw/zinc/81/55/15/495815515.db2.gz WAZWFBARHUOJNH-TZIWHRDSSA-N 2 1 374.573 3.413 20 70 FGIDMP CCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159813501 495815522 /nfs/dbraw/zinc/81/55/22/495815522.db2.gz WAZWFBARHUOJNH-TZIWHRDSSA-N 2 1 374.573 3.413 20 70 FGIDMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000160274387 495924585 /nfs/dbraw/zinc/92/45/85/495924585.db2.gz NNRBNAKINACESG-SESVDKBCSA-N 2 1 372.557 3.023 20 70 FGIDMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000160274387 495924589 /nfs/dbraw/zinc/92/45/89/495924589.db2.gz NNRBNAKINACESG-SESVDKBCSA-N 2 1 372.557 3.023 20 70 FGIDMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000160274387 495924591 /nfs/dbraw/zinc/92/45/91/495924591.db2.gz NNRBNAKINACESG-SESVDKBCSA-N 2 1 372.557 3.023 20 70 FGIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000160470797 495970366 /nfs/dbraw/zinc/97/03/66/495970366.db2.gz CHHQITQDYJHHOS-QGZVFWFLSA-N 2 1 368.477 3.141 20 70 FGIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000160475631 495971371 /nfs/dbraw/zinc/97/13/71/495971371.db2.gz UQXOUGGZVDBFNJ-WGDIFIGCSA-N 2 1 372.534 3.107 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000160751189 496034716 /nfs/dbraw/zinc/03/47/16/496034716.db2.gz FQKISABHCIMPIK-UKRRQHHQSA-N 2 1 360.420 3.315 20 70 FGIDMP CC(C)CNC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161189723 496123921 /nfs/dbraw/zinc/12/39/21/496123921.db2.gz WYFOFGVFZGESHA-QGZVFWFLSA-N 2 1 360.546 3.037 20 70 FGIDMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000159983194 495856160 /nfs/dbraw/zinc/85/61/60/495856160.db2.gz WFCZCZJKLYTXSP-FQEVSTJZSA-N 2 1 362.514 3.391 20 70 FGIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160132456 495891191 /nfs/dbraw/zinc/89/11/91/495891191.db2.gz QENZLDBFWHAOFW-HNNXBMFYSA-N 2 1 351.922 3.265 20 70 FGIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160132456 495891195 /nfs/dbraw/zinc/89/11/95/495891195.db2.gz QENZLDBFWHAOFW-HNNXBMFYSA-N 2 1 351.922 3.265 20 70 FGIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000160361949 495946139 /nfs/dbraw/zinc/94/61/39/495946139.db2.gz SPXNOWWQVAAPAT-LJQANCHMSA-N 2 1 369.557 3.452 20 70 FGIDMP COc1cc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1S(C)(=O)=O ZINC000159612609 495770206 /nfs/dbraw/zinc/77/02/06/495770206.db2.gz QYRLZZYDTIPYQJ-ZDUSSCGKSA-N 2 1 368.543 3.059 20 70 FGIDMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159680158 495785409 /nfs/dbraw/zinc/78/54/09/495785409.db2.gz UGWCUPIYKPYWDK-GOSISDBHSA-N 2 1 365.525 3.029 20 70 FGIDMP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159680158 495785412 /nfs/dbraw/zinc/78/54/12/495785412.db2.gz UGWCUPIYKPYWDK-GOSISDBHSA-N 2 1 365.525 3.029 20 70 FGIDMP CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000161099981 496103462 /nfs/dbraw/zinc/10/34/62/496103462.db2.gz XKKSBXSGTRHRLO-ZIFCJYIRSA-N 2 1 361.530 3.067 20 70 FGIDMP Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)cn21 ZINC000160305096 495931553 /nfs/dbraw/zinc/93/15/53/495931553.db2.gz CBBMNVUENRRJQR-KRWDZBQOSA-N 2 1 352.482 3.434 20 70 FGIDMP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1F ZINC000160520801 495982175 /nfs/dbraw/zinc/98/21/75/495982175.db2.gz LLCFJNUEQJKXJV-KDOFPFPSSA-N 2 1 361.436 3.035 20 70 FGIDMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000160587500 495998052 /nfs/dbraw/zinc/99/80/52/495998052.db2.gz ZKUQDKGEAQNYDM-QFIPXVFZSA-N 2 1 352.478 3.305 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000160669761 496016409 /nfs/dbraw/zinc/01/64/09/496016409.db2.gz CZXKUQQWOWQCKE-AEFFLSMTSA-N 2 1 352.906 3.380 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000160675621 496017633 /nfs/dbraw/zinc/01/76/33/496017633.db2.gz XCKMTMWJKVJZAK-AEFFLSMTSA-N 2 1 367.331 3.263 20 70 FGIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000160475865 495971513 /nfs/dbraw/zinc/97/15/13/495971513.db2.gz UQXOUGGZVDBFNJ-QUGAMOGWSA-N 2 1 372.534 3.107 20 70 FGIDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160610071 496002813 /nfs/dbraw/zinc/00/28/13/496002813.db2.gz KEWHVCCUBPKDKD-QLXKLKPCSA-N 2 1 372.534 3.107 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Br)c1 ZINC000160675459 496017585 /nfs/dbraw/zinc/01/75/85/496017585.db2.gz DVHCQYXRHMHFJY-UKRRQHHQSA-N 2 1 373.310 3.476 20 70 FGIDMP CC(=O)NC1CCC(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000161186183 496122699 /nfs/dbraw/zinc/12/26/99/496122699.db2.gz WXPGWOQMJLCPGQ-UHFFFAOYSA-N 2 1 372.557 3.324 20 70 FGIDMP Cc1[nH+]ccn1CCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159403472 495725062 /nfs/dbraw/zinc/72/50/62/495725062.db2.gz RXFYCFVEWYUYMF-UHFFFAOYSA-N 2 1 368.525 3.390 20 70 FGIDMP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000159993799 495859286 /nfs/dbraw/zinc/85/92/86/495859286.db2.gz HGIVTUUHBXNSPM-UHFFFAOYSA-N 2 1 354.542 3.342 20 70 FGIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000160428332 495960338 /nfs/dbraw/zinc/96/03/38/495960338.db2.gz GXEBVZBVTBEWTR-INIZCTEOSA-N 2 1 354.450 3.098 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000160684984 496019778 /nfs/dbraw/zinc/01/97/78/496019778.db2.gz HGXZRJZXPYLKEG-QAPCUYQASA-N 2 1 352.906 3.380 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000160761079 496037425 /nfs/dbraw/zinc/03/74/25/496037425.db2.gz GELZVNWDINKVGG-GDBMZVCRSA-N 2 1 360.420 3.473 20 70 FGIDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)C[C@H](C)O1 ZINC000161256608 496137862 /nfs/dbraw/zinc/13/78/62/496137862.db2.gz AEQAGNSVTDUFIA-HDICACEKSA-N 2 1 374.525 3.071 20 70 FGIDMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000160334128 495938456 /nfs/dbraw/zinc/93/84/56/495938456.db2.gz KBBLEVXWIPYYMP-NRSPTQNISA-N 2 1 372.557 3.165 20 70 FGIDMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000160334128 495938463 /nfs/dbraw/zinc/93/84/63/495938463.db2.gz KBBLEVXWIPYYMP-NRSPTQNISA-N 2 1 372.557 3.165 20 70 FGIDMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000160334128 495938468 /nfs/dbraw/zinc/93/84/68/495938468.db2.gz KBBLEVXWIPYYMP-NRSPTQNISA-N 2 1 372.557 3.165 20 70 FGIDMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000160866612 496056888 /nfs/dbraw/zinc/05/68/88/496056888.db2.gz FVJGANDFJAEWKL-IBGZPJMESA-N 2 1 364.578 3.157 20 70 FGIDMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160866612 496056891 /nfs/dbraw/zinc/05/68/91/496056891.db2.gz FVJGANDFJAEWKL-IBGZPJMESA-N 2 1 364.578 3.157 20 70 FGIDMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160866612 496056895 /nfs/dbraw/zinc/05/68/95/496056895.db2.gz FVJGANDFJAEWKL-IBGZPJMESA-N 2 1 364.578 3.157 20 70 FGIDMP C[C@H]1C[NH+](CCC2CCN(CCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000161398968 496168562 /nfs/dbraw/zinc/16/85/62/496168562.db2.gz KPRHJPDYUWJQQE-PMACEKPBSA-N 2 1 351.579 3.074 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)CC1 ZINC000159600002 495768166 /nfs/dbraw/zinc/76/81/66/495768166.db2.gz DHAFCXONQIBIFN-IBGZPJMESA-N 2 1 372.557 3.156 20 70 FGIDMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159600002 495768170 /nfs/dbraw/zinc/76/81/70/495768170.db2.gz DHAFCXONQIBIFN-IBGZPJMESA-N 2 1 372.557 3.156 20 70 FGIDMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159600002 495768178 /nfs/dbraw/zinc/76/81/78/495768178.db2.gz DHAFCXONQIBIFN-IBGZPJMESA-N 2 1 372.557 3.156 20 70 FGIDMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160687311 496020727 /nfs/dbraw/zinc/02/07/27/496020727.db2.gz ICVNXVNPFDQCAM-JKSUJKDBSA-N 2 1 356.457 3.484 20 70 FGIDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000160707075 496023800 /nfs/dbraw/zinc/02/38/00/496023800.db2.gz PFOHHFBKZHJPHH-FQEVSTJZSA-N 2 1 365.949 3.135 20 70 FGIDMP CCN(CC)C(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161191862 496123649 /nfs/dbraw/zinc/12/36/49/496123649.db2.gz YCUPDMDQGYUACY-QGZVFWFLSA-N 2 1 360.546 3.133 20 70 FGIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159494209 495745203 /nfs/dbraw/zinc/74/52/03/495745203.db2.gz JBNXGQSDILKWFH-QUCCMNQESA-N 2 1 360.546 3.021 20 70 FGIDMP CC[N@H+]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000159716672 495794137 /nfs/dbraw/zinc/79/41/37/495794137.db2.gz ADTNQFWFJZPMIG-OFNKIYASSA-N 3 1 373.585 3.378 20 70 FGIDMP CCN1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000159716672 495794140 /nfs/dbraw/zinc/79/41/40/495794140.db2.gz ADTNQFWFJZPMIG-OFNKIYASSA-N 2 1 373.585 3.378 20 70 FGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)(F)F ZINC000160676513 496017215 /nfs/dbraw/zinc/01/72/15/496017215.db2.gz FDTIPNDLBLZBJC-HUUCEWRRSA-N 2 1 360.420 3.473 20 70 FGIDMP c1ccc(CC[NH+]2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000161121449 496108676 /nfs/dbraw/zinc/10/86/76/496108676.db2.gz TZURWAISIBMLCK-UHFFFAOYSA-N 2 1 352.478 3.255 20 70 FGIDMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000161189441 496124020 /nfs/dbraw/zinc/12/40/20/496124020.db2.gz OLSPRAGBQYRAJS-NRFANRHFSA-N 2 1 366.509 3.103 20 70 FGIDMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000160060999 495875084 /nfs/dbraw/zinc/87/50/84/495875084.db2.gz BEUKHQMGTIQKTN-OAQYLSRUSA-N 2 1 351.494 3.143 20 70 FGIDMP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000161483220 496184129 /nfs/dbraw/zinc/18/41/29/496184129.db2.gz HHZVJWBWCMHWFV-HXUWFJFHSA-N 2 1 356.485 3.198 20 70 FGIDMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000160061141 495874602 /nfs/dbraw/zinc/87/46/02/495874602.db2.gz BEUKHQMGTIQKTN-NRFANRHFSA-N 2 1 351.494 3.143 20 70 FGIDMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000161311637 496150449 /nfs/dbraw/zinc/15/04/49/496150449.db2.gz BOKJUNGUWJNAQJ-UHFFFAOYSA-N 2 1 374.573 3.402 20 70 FGIDMP COc1cccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000161322882 496152610 /nfs/dbraw/zinc/15/26/10/496152610.db2.gz WTOBMSQPTVAEEP-JOCHJYFZSA-N 2 1 372.484 3.164 20 70 FGIDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC000159451971 495736162 /nfs/dbraw/zinc/73/61/62/495736162.db2.gz HCECGSKOBZNOEB-RTWAWAEBSA-N 2 1 369.553 3.231 20 70 FGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159724354 495795183 /nfs/dbraw/zinc/79/51/83/495795183.db2.gz MDMCNDOUYMUCHU-ZRCGQRJVSA-N 2 1 373.585 3.376 20 70 FGIDMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159724354 495795188 /nfs/dbraw/zinc/79/51/88/495795188.db2.gz MDMCNDOUYMUCHU-ZRCGQRJVSA-N 2 1 373.585 3.376 20 70 FGIDMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000160485262 495974274 /nfs/dbraw/zinc/97/42/74/495974274.db2.gz PHRZNGZHDRZEIA-GOSISDBHSA-N 2 1 357.523 3.451 20 70 FGIDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000160609808 496002774 /nfs/dbraw/zinc/00/27/74/496002774.db2.gz KEWHVCCUBPKDKD-MRDQGFSESA-N 2 1 372.534 3.107 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1Br ZINC000160686077 496020074 /nfs/dbraw/zinc/02/00/74/496020074.db2.gz NSUDCBXWKSVZHC-LSDHHAIUSA-N 2 1 355.320 3.337 20 70 FGIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161029646 496088778 /nfs/dbraw/zinc/08/87/78/496088778.db2.gz HRDPNLDOKPKGBC-PMACEKPBSA-N 2 1 364.578 3.157 20 70 FGIDMP C[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159705000 495791618 /nfs/dbraw/zinc/79/16/18/495791618.db2.gz LPGHPNKNJDEYNO-TZIWHRDSSA-N 3 1 359.558 3.130 20 70 FGIDMP C[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000159705000 495791624 /nfs/dbraw/zinc/79/16/24/495791624.db2.gz LPGHPNKNJDEYNO-TZIWHRDSSA-N 2 1 359.558 3.130 20 70 FGIDMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159841903 495821745 /nfs/dbraw/zinc/82/17/45/495821745.db2.gz ZDTKITNHCFWAOX-OAQYLSRUSA-N 2 1 355.526 3.032 20 70 FGIDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160315487 495933670 /nfs/dbraw/zinc/93/36/70/495933670.db2.gz SBLQIQKWCMMKPY-KDURUIRLSA-N 2 1 366.594 3.118 20 70 FGIDMP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000160358637 495945040 /nfs/dbraw/zinc/94/50/40/495945040.db2.gz CCIYCJHUVRNCDZ-WIYYLYMNSA-N 2 1 372.557 3.023 20 70 FGIDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000159536902 495755204 /nfs/dbraw/zinc/75/52/04/495755204.db2.gz RXCZHQHXNBRQMT-MRXNPFEDSA-N 2 1 357.502 3.223 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000160926770 496069167 /nfs/dbraw/zinc/06/91/67/496069167.db2.gz NUXKTRBALRCMTD-QUCCMNQESA-N 2 1 361.574 3.220 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000160926770 496069168 /nfs/dbraw/zinc/06/91/68/496069168.db2.gz NUXKTRBALRCMTD-QUCCMNQESA-N 2 1 361.574 3.220 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000160926770 496069170 /nfs/dbraw/zinc/06/91/70/496069170.db2.gz NUXKTRBALRCMTD-QUCCMNQESA-N 2 1 361.574 3.220 20 70 FGIDMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000160926770 496069173 /nfs/dbraw/zinc/06/91/73/496069173.db2.gz NUXKTRBALRCMTD-QUCCMNQESA-N 2 1 361.574 3.220 20 70 FGIDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H](C)C1 ZINC000161117688 496107616 /nfs/dbraw/zinc/10/76/16/496107616.db2.gz AIZQWVWNSDFOFB-QINHECLXSA-N 2 1 351.485 3.249 20 70 FGIDMP Fc1ccccc1-c1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000160410303 495957251 /nfs/dbraw/zinc/95/72/51/495957251.db2.gz UIPJUWLBLOPKRJ-UHFFFAOYSA-N 2 1 359.445 3.025 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159940171 495846594 /nfs/dbraw/zinc/84/65/94/495846594.db2.gz GNEQKBBBSDTUFN-QUCCMNQESA-N 2 1 372.557 3.165 20 70 FGIDMP CCN(CC)C(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161191981 496123870 /nfs/dbraw/zinc/12/38/70/496123870.db2.gz YCUPDMDQGYUACY-KRWDZBQOSA-N 2 1 360.546 3.133 20 70 FGIDMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000160271360 495923855 /nfs/dbraw/zinc/92/38/55/495923855.db2.gz ZTRFOSMFCXLYAN-DLBZAZTESA-N 2 1 367.559 3.363 20 70 FGIDMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1SC ZINC000160734624 496031590 /nfs/dbraw/zinc/03/15/90/496031590.db2.gz PMKDORPTRLEFFK-DOTOQJQBSA-N 2 1 352.544 3.305 20 70 FGIDMP CCCCNC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161193476 496124820 /nfs/dbraw/zinc/12/48/20/496124820.db2.gz VIFONPOKQAZAGP-KRWDZBQOSA-N 2 1 360.546 3.181 20 70 FGIDMP CCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159400882 495725499 /nfs/dbraw/zinc/72/54/99/495725499.db2.gz NZQWBIITBPLXBR-CTNGQTDRSA-N 2 1 372.557 3.024 20 70 FGIDMP COc1cc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1S(C)(=O)=O ZINC000159612757 495770442 /nfs/dbraw/zinc/77/04/42/495770442.db2.gz QYRLZZYDTIPYQJ-CYBMUJFWSA-N 2 1 368.543 3.059 20 70 FGIDMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160394124 495952820 /nfs/dbraw/zinc/95/28/20/495952820.db2.gz YDNYKYVUSNFZKP-SFHVURJKSA-N 2 1 352.567 3.157 20 70 FGIDMP CCC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160399172 495954390 /nfs/dbraw/zinc/95/43/90/495954390.db2.gz CCKJLBGWCONNBP-NRFANRHFSA-N 2 1 372.557 3.167 20 70 FGIDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160910642 496065552 /nfs/dbraw/zinc/06/55/52/496065552.db2.gz NJCICFYZVHHBFJ-CEXWTWQISA-N 2 1 366.594 3.116 20 70 FGIDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc4ccccn34)CC2)C[C@H](C)O1 ZINC000160981651 496078881 /nfs/dbraw/zinc/07/88/81/496078881.db2.gz PIESUZHJYZRGOM-HDICACEKSA-N 2 1 356.514 3.046 20 70 FGIDMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159680023 495785350 /nfs/dbraw/zinc/78/53/50/495785350.db2.gz UGWCUPIYKPYWDK-SFHVURJKSA-N 2 1 365.525 3.029 20 70 FGIDMP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159680023 495785355 /nfs/dbraw/zinc/78/53/55/495785355.db2.gz UGWCUPIYKPYWDK-SFHVURJKSA-N 2 1 365.525 3.029 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000159778780 495806970 /nfs/dbraw/zinc/80/69/70/495806970.db2.gz YIWKGYZDUPHBFH-UHFFFAOYSA-N 2 1 372.557 3.300 20 70 FGIDMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000159983077 495855135 /nfs/dbraw/zinc/85/51/35/495855135.db2.gz WFCZCZJKLYTXSP-HXUWFJFHSA-N 2 1 362.514 3.391 20 70 FGIDMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160358625 495945033 /nfs/dbraw/zinc/94/50/33/495945033.db2.gz NJKWYOKRCUWKPT-LJQANCHMSA-N 2 1 366.594 3.262 20 70 FGIDMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000160485370 495973696 /nfs/dbraw/zinc/97/36/96/495973696.db2.gz PHRZNGZHDRZEIA-SFHVURJKSA-N 2 1 357.523 3.451 20 70 FGIDMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000159537021 495754737 /nfs/dbraw/zinc/75/47/37/495754737.db2.gz RXCZHQHXNBRQMT-INIZCTEOSA-N 2 1 357.502 3.223 20 70 FGIDMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000160255757 495920067 /nfs/dbraw/zinc/92/00/67/495920067.db2.gz PVNVAOVFWRVKHB-LSDHHAIUSA-N 2 1 352.910 3.306 20 70 FGIDMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC000159452111 495735660 /nfs/dbraw/zinc/73/56/60/495735660.db2.gz HCECGSKOBZNOEB-LEWJYISDSA-N 2 1 369.553 3.231 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000159814305 495816018 /nfs/dbraw/zinc/81/60/18/495816018.db2.gz SDSOTHUXLWMWBN-UHFFFAOYSA-N 2 1 372.557 3.156 20 70 FGIDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000160606086 496001474 /nfs/dbraw/zinc/00/14/74/496001474.db2.gz QZULYRKWMCTAJJ-KRWDZBQOSA-N 2 1 368.477 3.141 20 70 FGIDMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000160618344 496004714 /nfs/dbraw/zinc/00/47/14/496004714.db2.gz WEQAQAYMDWOOLJ-SFHVURJKSA-N 2 1 357.523 3.451 20 70 FGIDMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160687172 496020435 /nfs/dbraw/zinc/02/04/35/496020435.db2.gz ICVNXVNPFDQCAM-HZPDHXFCSA-N 2 1 356.457 3.484 20 70 FGIDMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1S(C)(=O)=O ZINC000160266857 495922525 /nfs/dbraw/zinc/92/25/25/495922525.db2.gz HMYOIRLASOTEIP-CVEARBPZSA-N 2 1 368.543 3.014 20 70 FGIDMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1S(C)(=O)=O ZINC000160266857 495922528 /nfs/dbraw/zinc/92/25/28/495922528.db2.gz HMYOIRLASOTEIP-CVEARBPZSA-N 2 1 368.543 3.014 20 70 FGIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000160428478 495960211 /nfs/dbraw/zinc/96/02/11/495960211.db2.gz GXEBVZBVTBEWTR-MRXNPFEDSA-N 2 1 354.450 3.098 20 70 FGIDMP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1F ZINC000160521064 495981682 /nfs/dbraw/zinc/98/16/82/495981682.db2.gz LLCFJNUEQJKXJV-RDTXWAMCSA-N 2 1 361.436 3.035 20 70 FGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Br ZINC000160690557 496021262 /nfs/dbraw/zinc/02/12/62/496021262.db2.gz RFWSYWOITGHKEE-DZGCQCFKSA-N 2 1 373.310 3.476 20 70 FGIDMP C[N@H+]1CCC[C@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC000159452247 495736263 /nfs/dbraw/zinc/73/62/63/495736263.db2.gz HCECGSKOBZNOEB-SFTDATJTSA-N 2 1 369.553 3.231 20 70 FGIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159493920 495743709 /nfs/dbraw/zinc/74/37/09/495743709.db2.gz JBNXGQSDILKWFH-UYAOXDASSA-N 2 1 360.546 3.021 20 70 FGIDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000160405082 495955417 /nfs/dbraw/zinc/95/54/17/495955417.db2.gz VEOFXHHDEZTKKV-KDURUIRLSA-N 2 1 366.594 3.260 20 70 FGIDMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160418042 495957729 /nfs/dbraw/zinc/95/77/29/495957729.db2.gz TXMDTLCCUAVWRP-COPCDDAFSA-N 2 1 358.574 3.392 20 70 FGIDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160418042 495957735 /nfs/dbraw/zinc/95/77/35/495957735.db2.gz TXMDTLCCUAVWRP-COPCDDAFSA-N 2 1 358.574 3.392 20 70 FGIDMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000160587361 495998524 /nfs/dbraw/zinc/99/85/24/495998524.db2.gz ZKUQDKGEAQNYDM-JOCHJYFZSA-N 2 1 352.478 3.305 20 70 FGIDMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000161295888 496146361 /nfs/dbraw/zinc/14/63/61/496146361.db2.gz KPSSCIJEKPLDRL-INIZCTEOSA-N 2 1 371.447 3.161 20 70 FGIDMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000159856575 495824958 /nfs/dbraw/zinc/82/49/58/495824958.db2.gz OHTGLKRLQCADLJ-UHFFFAOYSA-N 2 1 372.557 3.300 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159939893 495846658 /nfs/dbraw/zinc/84/66/58/495846658.db2.gz GNEQKBBBSDTUFN-ICSRJNTNSA-N 2 1 372.557 3.165 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000160685096 496019245 /nfs/dbraw/zinc/01/92/45/496019245.db2.gz HGXZRJZXPYLKEG-CRAIPNDOSA-N 2 1 352.906 3.380 20 70 FGIDMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161097443 496102838 /nfs/dbraw/zinc/10/28/38/496102838.db2.gz LHBRSECPQCIHOM-XSLAUPDRSA-N 2 1 357.542 3.419 20 70 FGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161120789 496108060 /nfs/dbraw/zinc/10/80/60/496108060.db2.gz WGXKRQGWANSGGQ-AXHMDWHKSA-N 2 1 351.485 3.248 20 70 FGIDMP CCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159400738 495725284 /nfs/dbraw/zinc/72/52/84/495725284.db2.gz NZQWBIITBPLXBR-TZIWHRDSSA-N 2 1 372.557 3.024 20 70 FGIDMP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000161291208 496144888 /nfs/dbraw/zinc/14/48/88/496144888.db2.gz YZOUDQNOTAQVLG-YTXWROIDSA-N 2 1 357.542 3.455 20 70 FGIDMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1)C(C)C ZINC000161288525 496145551 /nfs/dbraw/zinc/14/55/51/496145551.db2.gz IXODCWCNBIMOIQ-KRWDZBQOSA-N 2 1 356.514 3.488 20 70 FGIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1)C(C)C ZINC000161288525 496145556 /nfs/dbraw/zinc/14/55/56/496145556.db2.gz IXODCWCNBIMOIQ-KRWDZBQOSA-N 2 1 356.514 3.488 20 70 FGIDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(C)nn(C)c1C ZINC000160636734 496009068 /nfs/dbraw/zinc/00/90/68/496009068.db2.gz NUGUTWUODPOFCD-FQEVSTJZSA-N 2 1 356.514 3.110 20 70 FGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000160669626 496015898 /nfs/dbraw/zinc/01/58/98/496015898.db2.gz CZXKUQQWOWQCKE-SJLPKXTDSA-N 2 1 352.906 3.380 20 70 FGIDMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000160866480 496056230 /nfs/dbraw/zinc/05/62/30/496056230.db2.gz FVJGANDFJAEWKL-LJQANCHMSA-N 2 1 364.578 3.157 20 70 FGIDMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160866480 496056239 /nfs/dbraw/zinc/05/62/39/496056239.db2.gz FVJGANDFJAEWKL-LJQANCHMSA-N 2 1 364.578 3.157 20 70 FGIDMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160866480 496056246 /nfs/dbraw/zinc/05/62/46/496056246.db2.gz FVJGANDFJAEWKL-LJQANCHMSA-N 2 1 364.578 3.157 20 70 FGIDMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000161011497 496085497 /nfs/dbraw/zinc/08/54/97/496085497.db2.gz JNENEDLFKNIAQF-IBGZPJMESA-N 2 1 352.567 3.013 20 70 FGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161120565 496107734 /nfs/dbraw/zinc/10/77/34/496107734.db2.gz WGXKRQGWANSGGQ-NLDJYOPPSA-N 2 1 351.485 3.248 20 70 FGIDMP CCCCNC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161193360 496125249 /nfs/dbraw/zinc/12/52/49/496125249.db2.gz VIFONPOKQAZAGP-QGZVFWFLSA-N 2 1 360.546 3.181 20 70 FGIDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000161398832 496168840 /nfs/dbraw/zinc/16/88/40/496168840.db2.gz KPRHJPDYUWJQQE-BGYRXZFFSA-N 2 1 351.579 3.074 20 70 FGIDMP C[C@@H]1C[N@@H+](CCC2CCN(CCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000161398832 496168846 /nfs/dbraw/zinc/16/88/46/496168846.db2.gz KPRHJPDYUWJQQE-BGYRXZFFSA-N 2 1 351.579 3.074 20 70 FGIDMP C[C@@H]1C[N@H+](CCC2CCN(CCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000161398832 496168858 /nfs/dbraw/zinc/16/88/58/496168858.db2.gz KPRHJPDYUWJQQE-BGYRXZFFSA-N 2 1 351.579 3.074 20 70 FGIDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000217198314 496995931 /nfs/dbraw/zinc/99/59/31/496995931.db2.gz XNAXYLJFVZWENL-ICSRJNTNSA-N 2 1 351.579 3.467 20 70 FGIDMP