smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000193041027 529924740 /nfs/dbraw/zinc/92/47/40/529924740.db2.gz SRTUJWUCCFHDDE-IBGZPJMESA-N 1 1 334.460 2.498 20 10 EECDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)NC1CCCC1 ZINC000069739465 203042777 /nfs/dbraw/zinc/04/27/77/203042777.db2.gz YJVCAZKYWBEJMS-KRWDZBQOSA-N 1 1 332.444 2.432 20 10 EECDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)NC1CCCC1 ZINC000069739465 203042779 /nfs/dbraw/zinc/04/27/79/203042779.db2.gz YJVCAZKYWBEJMS-KRWDZBQOSA-N 1 1 332.444 2.432 20 10 EECDMO CN1CCN(c2cc(C[NH2+][C@H]3CCc4cccc(O)c43)ccn2)CC1 ZINC000296001790 465047703 /nfs/dbraw/zinc/04/77/03/465047703.db2.gz OKGFONGVEAVPKL-KRWDZBQOSA-N 1 1 338.455 2.316 20 10 EECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3ccsc3C2)cc1 ZINC000132490460 462860183 /nfs/dbraw/zinc/86/01/83/462860183.db2.gz VPCHDVFXHNTHEZ-UHFFFAOYSA-N 1 1 329.469 2.489 20 10 EECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3ccsc3C2)cc1 ZINC000132490460 462860189 /nfs/dbraw/zinc/86/01/89/462860189.db2.gz VPCHDVFXHNTHEZ-UHFFFAOYSA-N 1 1 329.469 2.489 20 10 EECDMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1O ZINC000092011564 462919424 /nfs/dbraw/zinc/91/94/24/462919424.db2.gz PSYCKZAAUFUNTR-YOEHRIQHSA-N 1 1 331.416 2.080 20 10 EECDMO CCCOc1ccc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000160574521 463351893 /nfs/dbraw/zinc/35/18/93/463351893.db2.gz MYTTYCJRMIHUOI-AWEZNQCLSA-N 1 1 327.446 2.190 20 10 EECDMO CCCOc1ccc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000160574521 463351898 /nfs/dbraw/zinc/35/18/98/463351898.db2.gz MYTTYCJRMIHUOI-AWEZNQCLSA-N 1 1 327.446 2.190 20 10 EECDMO CCCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c(O)c1 ZINC000278684227 463976282 /nfs/dbraw/zinc/97/62/82/463976282.db2.gz MGFXKWAIODQGJY-WMZOPIPTSA-N 1 1 345.443 2.122 20 10 EECDMO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1O ZINC000289569792 464085008 /nfs/dbraw/zinc/08/50/08/464085008.db2.gz ZPGNSBRYXJOSLF-UHFFFAOYSA-N 1 1 334.328 2.313 20 10 EECDMO CCOc1cccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c1O ZINC000179492943 464145609 /nfs/dbraw/zinc/14/56/09/464145609.db2.gz LKLBUGFLQFJGEO-UHFFFAOYSA-N 1 1 341.411 2.144 20 10 EECDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000228099355 464190318 /nfs/dbraw/zinc/19/03/18/464190318.db2.gz WJTZBXTUIUAWAC-HNNXBMFYSA-N 1 1 341.249 2.421 20 10 EECDMO CS(=O)(=O)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271028324 464276890 /nfs/dbraw/zinc/27/68/90/464276890.db2.gz GERWLNNTANCHQO-UHFFFAOYSA-N 1 1 346.452 2.136 20 10 EECDMO CCN1CC[NH+](CCC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000352123527 465476310 /nfs/dbraw/zinc/47/63/10/465476310.db2.gz VQDLDBOJYUBGKG-UHFFFAOYSA-N 1 1 342.487 2.131 20 10 EECDMO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000184694384 465019482 /nfs/dbraw/zinc/01/94/82/465019482.db2.gz UDALOKNQPLMDFJ-NXEZZACHSA-N 1 1 335.853 2.308 20 10 EECDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000184694384 465019483 /nfs/dbraw/zinc/01/94/83/465019483.db2.gz UDALOKNQPLMDFJ-NXEZZACHSA-N 1 1 335.853 2.308 20 10 EECDMO COc1cc(Cl)cc(C[N@H+](CCS(C)(=O)=O)C(C)C)c1O ZINC000184699567 465019730 /nfs/dbraw/zinc/01/97/30/465019730.db2.gz GDNCQPGWKNQYSC-UHFFFAOYSA-N 1 1 335.853 2.309 20 10 EECDMO COc1cc(Cl)cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)c1O ZINC000184699567 465019733 /nfs/dbraw/zinc/01/97/33/465019733.db2.gz GDNCQPGWKNQYSC-UHFFFAOYSA-N 1 1 335.853 2.309 20 10 EECDMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(OC)ccc1O ZINC000362043361 466508983 /nfs/dbraw/zinc/50/89/83/466508983.db2.gz WWYYPHPBGATXAM-KRWDZBQOSA-N 1 1 326.396 2.074 20 10 EECDMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(OC)ccc1O ZINC000362043361 466508988 /nfs/dbraw/zinc/50/89/88/466508988.db2.gz WWYYPHPBGATXAM-KRWDZBQOSA-N 1 1 326.396 2.074 20 10 EECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000291521239 534201689 /nfs/dbraw/zinc/20/16/89/534201689.db2.gz JDKBURWYAPYBTN-LLVKDONJSA-N 1 1 346.349 2.291 20 10 EECDMO CCC/C=C\C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000729346936 576635275 /nfs/dbraw/zinc/63/52/75/576635275.db2.gz IHOZSEIGKVHJHS-WAYWQWQTSA-N 1 1 331.460 2.290 20 10 EECDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000773733289 577361608 /nfs/dbraw/zinc/36/16/08/577361608.db2.gz VRKZOGNJOYWFBL-KRWDZBQOSA-N 1 1 339.505 2.046 20 10 EECDMO NC(=O)Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000775151012 577431341 /nfs/dbraw/zinc/43/13/41/577431341.db2.gz DFQLZGZOJAHQJC-UHFFFAOYSA-N 1 1 349.228 2.472 20 10 EECDMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccccc3)CC1)[C@H](O)CO2 ZINC000768438348 577555553 /nfs/dbraw/zinc/55/55/53/577555553.db2.gz RLLQHMIMHKTVAH-LJQANCHMSA-N 1 1 340.423 2.136 20 10 EECDMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccsc3)CC1)[C@H](O)CO2 ZINC000768442079 577555611 /nfs/dbraw/zinc/55/56/11/577555611.db2.gz OJHYXEAHUOPGID-QGZVFWFLSA-N 1 1 346.452 2.197 20 10 EECDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769002958 577567152 /nfs/dbraw/zinc/56/71/52/577567152.db2.gz DHUQWQCCBMRZHC-CHWSQXEVSA-N 1 1 340.851 2.409 20 10 EECDMO CCc1nsc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)n1 ZINC000769485402 577579064 /nfs/dbraw/zinc/57/90/64/577579064.db2.gz QRJBXAVISLQPAD-UHFFFAOYSA-N 1 1 334.445 2.137 20 10 EECDMO CC(=O)c1cc(F)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000759998681 577655669 /nfs/dbraw/zinc/65/56/69/577655669.db2.gz IDSULKCBTTXCQB-UHFFFAOYSA-N 1 1 336.407 2.472 20 10 EECDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000759998681 577655670 /nfs/dbraw/zinc/65/56/70/577655670.db2.gz IDSULKCBTTXCQB-UHFFFAOYSA-N 1 1 336.407 2.472 20 10 EECDMO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(F)cc1O ZINC000756837041 577850874 /nfs/dbraw/zinc/85/08/74/577850874.db2.gz FIXAAHPLQOAOQX-ZIBATOQPSA-N 1 1 332.379 2.109 20 10 EECDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000745948618 577920672 /nfs/dbraw/zinc/92/06/72/577920672.db2.gz MSYLHMAPDALMRG-IRXDYDNUSA-N 1 1 345.487 2.464 20 10 EECDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000745948619 577920675 /nfs/dbraw/zinc/92/06/75/577920675.db2.gz MSYLHMAPDALMRG-SJORKVTESA-N 1 1 345.487 2.464 20 10 EECDMO COc1ccc(N2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)cc1 ZINC000750562856 577995390 /nfs/dbraw/zinc/99/53/90/577995390.db2.gz VMWZSPOKKUJMOV-UHFFFAOYSA-N 1 1 342.443 2.329 20 10 EECDMO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000076981718 676618826 /nfs/dbraw/zinc/61/88/26/676618826.db2.gz FDRXMACWMJILKB-TZMCWYRMSA-N 1 1 333.432 2.245 20 10 EECDMO COC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340762 681185590 /nfs/dbraw/zinc/18/55/90/681185590.db2.gz XAIKRZAYWMPFKM-IUODEOHRSA-N 1 1 347.419 2.078 20 10 EECDMO COCC[N@@H+](Cc1ccccn1)Cc1ccc(OC)c(OC)c1O ZINC000894453625 682900788 /nfs/dbraw/zinc/90/07/88/682900788.db2.gz HLYDTQSOZQWRPY-UHFFFAOYSA-N 1 1 332.400 2.453 20 10 EECDMO COc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c(O)c1OC ZINC000894744342 683068201 /nfs/dbraw/zinc/06/82/01/683068201.db2.gz ZUTOFWMUNGSUHQ-QFIPXVFZSA-N 1 1 327.446 2.142 20 10 EECDMO COc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c(O)c1OC ZINC000894744342 683068202 /nfs/dbraw/zinc/06/82/02/683068202.db2.gz ZUTOFWMUNGSUHQ-QFIPXVFZSA-N 1 1 327.446 2.142 20 10 EECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895493838 684620084 /nfs/dbraw/zinc/62/00/84/684620084.db2.gz AVQOAGGSPNCSLT-GOSISDBHSA-N 1 1 345.487 2.354 20 10 EECDMO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045393 692884527 /nfs/dbraw/zinc/88/45/27/692884527.db2.gz KSZAFIMTVIKDQY-QGZVFWFLSA-N 1 1 329.492 2.401 20 10 EECDMO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC000128820113 1176479472 /nfs/dbraw/zinc/47/94/72/1176479472.db2.gz RSFJUIANAUCZJG-UHFFFAOYSA-N 1 1 344.386 2.498 20 10 EECDMO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Cl)cc1O ZINC000841746838 1187549288 /nfs/dbraw/zinc/54/92/88/1187549288.db2.gz BOCSJJQLVITZOQ-NSHDSACASA-N 1 1 332.853 2.122 20 10 EECDMO CN1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)CC2)C1=O ZINC001272385823 1190795720 /nfs/dbraw/zinc/79/57/20/1190795720.db2.gz FSRUJMIPQPSFBQ-FQEVSTJZSA-N 1 1 343.471 2.350 20 10 EECDMO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000873779360 1198700273 /nfs/dbraw/zinc/70/02/73/1198700273.db2.gz RYXXBFUXIVXOHE-IBGZPJMESA-N 1 1 343.471 2.361 20 10 EECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)c1 ZINC000877533464 1199958030 /nfs/dbraw/zinc/95/80/30/1199958030.db2.gz OKRJKRKDHRZEPS-WFASDCNBSA-N 1 1 332.404 2.022 20 10 EECDMO COc1ccc(O)c(CNc2cc(N3CCN(C)CC3)cc[nH+]2)c1 ZINC000877691551 1200033362 /nfs/dbraw/zinc/03/33/62/1200033362.db2.gz RAEUOHXFDYHPIH-UHFFFAOYSA-N 1 1 328.416 2.160 20 10 EECDMO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cscn3)cc2)CC1 ZINC000886325396 1202492617 /nfs/dbraw/zinc/49/26/17/1202492617.db2.gz DOYJXAGJXKUBJB-UHFFFAOYSA-N 1 1 330.457 2.135 20 10 EECDMO Cc1cccc(O)c1C[N@H+]1CC[C@]2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001274300407 1204990431 /nfs/dbraw/zinc/99/04/31/1204990431.db2.gz IFKJXPRXKFXISR-FQEVSTJZSA-N 1 1 344.455 2.447 20 10 EECDMO CN1CC[C@@]2(CC[N@@H+](Cc3c(O)cccc3OC(F)(F)F)C2)C1=O ZINC001274823503 1205176967 /nfs/dbraw/zinc/17/69/67/1205176967.db2.gz VKBSFFKLNMDGNM-HNNXBMFYSA-N 1 1 344.333 2.345 20 10 EECDMO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001274837489 1205180864 /nfs/dbraw/zinc/18/08/64/1205180864.db2.gz YJFUUZMRSDWRCJ-IACUBPJLSA-N 1 1 334.416 2.167 20 10 EECDMO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001274837489 1205180868 /nfs/dbraw/zinc/18/08/68/1205180868.db2.gz YJFUUZMRSDWRCJ-IACUBPJLSA-N 1 1 334.416 2.167 20 10 EECDMO COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267671 1205294511 /nfs/dbraw/zinc/29/45/11/1205294511.db2.gz VIMADKNMBZPCOX-CALCHBBNSA-N 1 1 334.460 2.157 20 10 EECDMO COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267671 1205294514 /nfs/dbraw/zinc/29/45/14/1205294514.db2.gz VIMADKNMBZPCOX-CALCHBBNSA-N 1 1 334.460 2.157 20 10 EECDMO COCCOCN1CC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267671 1205294517 /nfs/dbraw/zinc/29/45/17/1205294517.db2.gz VIMADKNMBZPCOX-CALCHBBNSA-N 1 1 334.460 2.157 20 10 EECDMO COCCOCN1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267671 1205294518 /nfs/dbraw/zinc/29/45/18/1205294518.db2.gz VIMADKNMBZPCOX-CALCHBBNSA-N 1 1 334.460 2.157 20 10 EECDMO COc1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c1O ZINC001275273086 1205296099 /nfs/dbraw/zinc/29/60/99/1205296099.db2.gz FCKATPQLBLBNMV-WMLDXEAASA-N 1 1 327.428 2.435 20 10 EECDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1 ZINC001275278511 1205296819 /nfs/dbraw/zinc/29/68/19/1205296819.db2.gz LESWOWSDYMCRJG-MJGOQNOKSA-N 1 1 332.444 2.228 20 10 EECDMO COc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c1 ZINC001275278511 1205296822 /nfs/dbraw/zinc/29/68/22/1205296822.db2.gz LESWOWSDYMCRJG-MJGOQNOKSA-N 1 1 332.444 2.228 20 10 EECDMO COc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)c1 ZINC001275278511 1205296823 /nfs/dbraw/zinc/29/68/23/1205296823.db2.gz LESWOWSDYMCRJG-MJGOQNOKSA-N 1 1 332.444 2.228 20 10 EECDMO O=C(CCc1ccc[nH]1)N1CC2(C1)C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275905491 1205580010 /nfs/dbraw/zinc/58/00/10/1205580010.db2.gz AMWZJCFXGHIHPU-UHFFFAOYSA-N 1 1 343.402 2.136 20 10 EECDMO COc1ccc(N2CCC(N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925565729 1206129093 /nfs/dbraw/zinc/12/90/93/1206129093.db2.gz XDRJNEZIWVHDSE-UVPINQTDSA-N 1 1 327.472 2.250 20 10 EECDMO CCOCCOCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929824721 1206505658 /nfs/dbraw/zinc/50/56/58/1206505658.db2.gz YFWCVJGYEPDMGZ-UHFFFAOYSA-N 1 1 326.412 2.009 20 10 EECDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1O)OC[C@H]2O ZINC000795643249 1214574693 /nfs/dbraw/zinc/57/46/93/1214574693.db2.gz BEOGGJASXXANHO-QGZVFWFLSA-N 1 1 344.367 2.401 20 10 EECDMO CC[C@H](C[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001039058889 1230271088 /nfs/dbraw/zinc/27/10/88/1230271088.db2.gz CVSRLVWISDHYCN-LSDHHAIUSA-N 1 1 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COC(=O)CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000775726314 577443922 /nfs/dbraw/zinc/44/39/22/577443922.db2.gz SWPTWFWOSYTQER-UHFFFAOYSA-N 1 1 345.487 2.356 20 10 EECDMO COc1ccccc1OCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440852 577555645 /nfs/dbraw/zinc/55/56/45/577555645.db2.gz AIGXEXQQKCGCJU-INIZCTEOSA-N 1 1 345.395 2.337 20 10 EECDMO O=C(NCCCSc1nccs1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000759582653 577645972 /nfs/dbraw/zinc/64/59/72/577645972.db2.gz VXAVCWRBANMTED-NSHDSACASA-N 1 1 326.491 2.161 20 10 EECDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000741139244 578113282 /nfs/dbraw/zinc/11/32/82/578113282.db2.gz JHYINQSHIXHFTR-CALCHBBNSA-N 1 1 345.487 2.354 20 10 EECDMO COCC[N@@H+](Cc1cccnc1)Cc1ccc(OC)c(OC)c1O ZINC000894457624 682903443 /nfs/dbraw/zinc/90/34/43/682903443.db2.gz FCUFTZZGKIZWRT-UHFFFAOYSA-N 1 1 332.400 2.453 20 10 EECDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c(C(F)(F)F)c1 ZINC000895323399 684494106 /nfs/dbraw/zinc/49/41/06/684494106.db2.gz CAZKSSUARVZEIX-UKRRQHHQSA-N 1 1 332.366 2.089 20 10 EECDMO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@H]2C)cc1C ZINC000986050006 688134123 /nfs/dbraw/zinc/13/41/23/688134123.db2.gz YFLJLNFJJLSYAL-BBRMVZONSA-N 1 1 342.443 2.428 20 10 EECDMO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccn[nH]3)C2)cc1C ZINC000988177858 690378064 /nfs/dbraw/zinc/37/80/64/690378064.db2.gz HLBCHYRZLNJOFI-UKRRQHHQSA-N 1 1 328.416 2.120 20 10 EECDMO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)N(C)C)cc1 ZINC000898449878 693320181 /nfs/dbraw/zinc/32/01/81/693320181.db2.gz KWIPAHCXAMIEHN-GOSISDBHSA-N 1 1 344.507 2.492 20 10 EECDMO CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3ccc(C)cc3O)C2)OCC1=O ZINC001272764656 1193486578 /nfs/dbraw/zinc/48/65/78/1193486578.db2.gz CNDKWBWWOJFKTE-DNVCBOLYSA-N 1 1 332.444 2.302 20 10 EECDMO C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[N@H+](C2CCC2)C1 ZINC000841955645 1188208263 /nfs/dbraw/zinc/20/82/63/1188208263.db2.gz IWRMESDCGOEGSD-OAHLLOKOSA-N 1 1 330.476 2.327 20 10 EECDMO CCCC[N@H+]1CC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001272471246 1190839036 /nfs/dbraw/zinc/83/90/36/1190839036.db2.gz OVZSGBZORHRBGJ-FQEVSTJZSA-N 1 1 345.487 2.356 20 10 EECDMO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3c(O)cccc3F)CC2)C1=O ZINC001273266142 1197890001 /nfs/dbraw/zinc/89/00/01/1197890001.db2.gz QTAVQUXJAZXFAM-CYBMUJFWSA-N 1 1 348.418 2.323 20 10 EECDMO Cc1ccc(O)c(CNC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000875039778 1199117979 /nfs/dbraw/zinc/11/79/79/1199117979.db2.gz RWOCJRPPQXCYRJ-GASCZTMLSA-N 1 1 349.475 2.388 20 10 EECDMO Cc1ccc(O)c(CNC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000875039778 1199117981 /nfs/dbraw/zinc/11/79/81/1199117981.db2.gz RWOCJRPPQXCYRJ-GASCZTMLSA-N 1 1 349.475 2.388 20 10 EECDMO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2c(C)cccc2O)CC1 ZINC000876567814 1199673901 /nfs/dbraw/zinc/67/39/01/1199673901.db2.gz FXJGBERLIFBRAZ-UHFFFAOYSA-N 1 1 333.476 2.077 20 10 EECDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876775606 1199768972 /nfs/dbraw/zinc/76/89/72/1199768972.db2.gz ZKJGUAMIECSPRK-GOSISDBHSA-N 1 1 348.487 2.133 20 10 EECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)c1 ZINC000877533462 1199958002 /nfs/dbraw/zinc/95/80/02/1199958002.db2.gz OKRJKRKDHRZEPS-IUODEOHRSA-N 1 1 332.404 2.022 20 10 EECDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)[C@H](O)CO2 ZINC000811791104 1200333518 /nfs/dbraw/zinc/33/35/18/1200333518.db2.gz GICLRUBUFDJLGE-NUJGCVRESA-N 1 1 331.412 2.352 20 10 EECDMO CN(C)c1ccc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1 ZINC000878871634 1200723626 /nfs/dbraw/zinc/72/36/26/1200723626.db2.gz QKROSYNBFVCDJI-IBGZPJMESA-N 1 1 349.544 2.392 20 10 EECDMO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1c(O)cccc1F ZINC000886493571 1202514443 /nfs/dbraw/zinc/51/44/43/1202514443.db2.gz RGPKULIJHBRATP-LBPRGKRZSA-N 1 1 349.406 2.437 20 10 EECDMO CCOc1cccc(C[NH+]2CC3(CCN3C(=O)NC(C)C)C2)c1O ZINC001275271425 1205295513 /nfs/dbraw/zinc/29/55/13/1205295513.db2.gz UXXXZEALWZSVKA-UHFFFAOYSA-N 1 1 333.432 2.169 20 10 EECDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1 ZINC001275311913 1205306045 /nfs/dbraw/zinc/30/60/45/1205306045.db2.gz UFZUYUFDTHNACN-HDICACEKSA-N 1 1 327.428 2.114 20 10 EECDMO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(O)ccc2O)[nH]1 ZINC001275418390 1205351063 /nfs/dbraw/zinc/35/10/63/1205351063.db2.gz CPGFDPRTXXAHCK-IRXDYDNUSA-N 1 1 341.411 2.047 20 10 EECDMO Oc1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCn1ccnc1 ZINC001275773027 1205520540 /nfs/dbraw/zinc/52/05/40/1205520540.db2.gz FWDOSOMWPKJVEZ-IRXDYDNUSA-N 1 1 348.397 2.216 20 10 EECDMO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cc(F)ccc4O)[C@@H]3C2)n(C)n1 ZINC001275913868 1205583341 /nfs/dbraw/zinc/58/33/41/1205583341.db2.gz SEFMKYDDPIFSDD-KBXCAEBGSA-N 1 1 344.434 2.280 20 10 EECDMO Cc1cc(CN2CCC23C[NH+](Cc2cc(F)ccc2O)C3)n(C)n1 ZINC001275913743 1205583394 /nfs/dbraw/zinc/58/33/94/1205583394.db2.gz QGCXIPFDDOHDFJ-UHFFFAOYSA-N 1 1 330.407 2.034 20 10 EECDMO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000962977654 1217314612 /nfs/dbraw/zinc/31/46/12/1217314612.db2.gz SNJBBXBEUKKEAQ-FICVDOATSA-N 1 1 329.404 2.165 20 10 EECDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC[C@@H](C)F)C2)cc(OC)n1 ZINC001007791831 1222421351 /nfs/dbraw/zinc/42/13/51/1222421351.db2.gz LRENQMHOMCFRIF-TZMCWYRMSA-N 1 1 339.411 2.041 20 10 EECDMO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)cc1C ZINC001019044387 1228666981 /nfs/dbraw/zinc/66/69/81/1228666981.db2.gz SRHCMTFHKZVZMU-ROUUACIJSA-N 1 1 345.487 2.178 20 10 EECDMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)c1O ZINC001273770111 1285289869 /nfs/dbraw/zinc/28/98/69/1285289869.db2.gz OGAQBHFDGCDBOD-HXUWFJFHSA-N 1 1 344.455 2.304 20 10 EECDMO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C)c1O ZINC001273770916 1285319916 /nfs/dbraw/zinc/31/99/16/1285319916.db2.gz XKABZZBLLMPYCI-KBRIMQKVSA-N 1 1 330.428 2.243 20 10 EECDMO CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(OC)c(O)cc2O)C1=O ZINC001273787479 1285862716 /nfs/dbraw/zinc/86/27/16/1285862716.db2.gz BTNCZMZMIZNASE-LJQANCHMSA-N 1 1 348.443 2.473 20 10 EECDMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000109772498 1291784038 /nfs/dbraw/zinc/78/40/38/1291784038.db2.gz MULUVMYWVQESKL-ZDUSSCGKSA-N 1 1 339.395 2.198 20 10 EECDMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000109772498 1291784045 /nfs/dbraw/zinc/78/40/45/1291784045.db2.gz MULUVMYWVQESKL-ZDUSSCGKSA-N 1 1 339.395 2.198 20 10 EECDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(O)c1O ZINC000856355713 1293494631 /nfs/dbraw/zinc/49/46/31/1293494631.db2.gz BBZOKTHCOKFHKQ-HNNXBMFYSA-N 1 1 326.396 2.411 20 10 EECDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(O)c1O ZINC000856355713 1293494636 /nfs/dbraw/zinc/49/46/36/1293494636.db2.gz BBZOKTHCOKFHKQ-HNNXBMFYSA-N 1 1 326.396 2.411 20 10 EECDMO CC(C)C[N@H+]1CCO[C@@H](CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858087456 1294001609 /nfs/dbraw/zinc/00/16/09/1294001609.db2.gz GDOUJCGFXVEBMN-HNNXBMFYSA-N 1 1 341.446 2.477 20 10 EECDMO CC(C)CN1CCO[C@@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858087456 1294001617 /nfs/dbraw/zinc/00/16/17/1294001617.db2.gz GDOUJCGFXVEBMN-HNNXBMFYSA-N 1 1 341.446 2.477 20 10 EECDMO CCOc1ccc(CN2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)c(O)c1 ZINC001276814489 1298457933 /nfs/dbraw/zinc/45/79/33/1298457933.db2.gz IBWBQYMKBJBNHH-UHFFFAOYSA-N 1 1 342.443 2.222 20 10 EECDMO CCOc1ccc(CN2CC3(C2)CC[N@@H+](Cc2cn[nH]c2)C3)c(O)c1 ZINC001276814489 1298457938 /nfs/dbraw/zinc/45/79/38/1298457938.db2.gz IBWBQYMKBJBNHH-UHFFFAOYSA-N 1 1 342.443 2.222 20 10 EECDMO CN(C)c1ccc(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)c(Cl)c1 ZINC001222681211 1299785145 /nfs/dbraw/zinc/78/51/45/1299785145.db2.gz OOCVAGHXRZKBEW-SFHVURJKSA-N 1 1 336.911 2.324 20 10 EECDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)n3nccc3C2)cc1 ZINC001276957987 1300498511 /nfs/dbraw/zinc/49/85/11/1300498511.db2.gz BAHCZULHJYNHQE-GOSISDBHSA-N 1 1 341.459 2.162 20 10 EECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(N)=O)n3nccc3C2)cc1 ZINC001276957987 1300498515 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2.189 20 10 EECDMO CCOCc1noc2c1C[N@@H+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001231636043 1303873600 /nfs/dbraw/zinc/87/36/00/1303873600.db2.gz JQFIDCSKVYQWCB-UHFFFAOYSA-N 1 1 334.372 2.189 20 10 EECDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001231849015 1303929631 /nfs/dbraw/zinc/92/96/31/1303929631.db2.gz MNZDKZMRMWWVNG-OCCSQVGLSA-N 1 1 332.366 2.364 20 10 EECDMO CCOC(=O)CN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231869250 1303935383 /nfs/dbraw/zinc/93/53/83/1303935383.db2.gz NOMLMTKNQRIICX-UHFFFAOYSA-N 1 1 326.824 2.035 20 10 EECDMO COc1cnc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)nc1 ZINC001231913487 1303945287 /nfs/dbraw/zinc/94/52/87/1303945287.db2.gz KJHOXRVELLNTBP-LBPRGKRZSA-N 1 1 335.791 2.498 20 10 EECDMO COC(=O)c1c(C[N@@H+](C)CCc2noc(C)n2)c2ccccc2n1C ZINC001232402823 1304109264 /nfs/dbraw/zinc/10/92/64/1304109264.db2.gz QHFLGIMHQPQJBL-UHFFFAOYSA-N 1 1 342.399 2.331 20 10 EECDMO C[C@H]1C[N@@H+](Cc2ccc(I)cc2O)CC[C@H]1O ZINC001232974841 1304313119 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EECDMO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCCN2C ZINC001276582831 1324658029 /nfs/dbraw/zinc/65/80/29/1324658029.db2.gz ZOISLFUGKGCTJS-HDICACEKSA-N 1 1 342.487 2.446 20 10 EECDMO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCCN2C ZINC001276582831 1324658033 /nfs/dbraw/zinc/65/80/33/1324658033.db2.gz ZOISLFUGKGCTJS-HDICACEKSA-N 1 1 342.487 2.446 20 10 EECDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC001605302656 1351130241 /nfs/dbraw/zinc/13/02/41/1351130241.db2.gz FDEOSHSXRRDLAL-UHFFFAOYSA-N 1 1 331.401 2.274 20 10 EECDMO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(N3CCCC3)cc2)C2CC2)C1 ZINC001320480784 1332893431 /nfs/dbraw/zinc/89/34/31/1332893431.db2.gz URCBOMFQVRZARP-SFHVURJKSA-N 1 1 334.485 2.438 20 10 EECDMO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(N3CCCC3)cc2)C2CC2)C1 ZINC001320480784 1332893435 /nfs/dbraw/zinc/89/34/35/1332893435.db2.gz URCBOMFQVRZARP-SFHVURJKSA-N 1 1 334.485 2.438 20 10 EECDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325734187 1333950037 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COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC001140285141 1372556150 /nfs/dbraw/zinc/55/61/50/1372556150.db2.gz DYMGWPQNZGDGPS-HNAYVOBHSA-N 1 1 346.471 2.421 20 10 EECDMO COc1cc(O)c(C[N@@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c(OC)c1 ZINC001141031070 1372744969 /nfs/dbraw/zinc/74/49/69/1372744969.db2.gz XEBKUGWBNBZJFY-CQSZACIVSA-N 1 1 336.432 2.241 20 10 EECDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089869918 783160075 /nfs/dbraw/zinc/16/00/75/783160075.db2.gz CBLISCLGEWWTJF-MRXNPFEDSA-N 1 1 346.450 2.348 20 10 EECDMO C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980519778 774795472 /nfs/dbraw/zinc/79/54/72/774795472.db2.gz AJSRGNABBCDWEH-OAHLLOKOSA-N 1 1 329.404 2.405 20 10 EECDMO C[N@@H+](CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1)C1CCC1 ZINC001089870327 783218339 /nfs/dbraw/zinc/21/83/39/783218339.db2.gz PFIKTPACQOBMJC-UHFFFAOYSA-N 1 1 346.450 2.348 20 10 EECDMO COCC[C@@H](C)C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089835766 777471849 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Oc1cc(O)c(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001144503716 789893653 /nfs/dbraw/zinc/89/36/53/789893653.db2.gz AVDSQVISSVLPNB-STQMWFEESA-N 1 1 339.285 2.031 20 10 EECDMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509459 789910409 /nfs/dbraw/zinc/91/04/09/789910409.db2.gz BLYGTTVOPXWWLC-ACJLOTCBSA-N 1 1 337.416 2.211 20 10 EECDMO C[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001180762082 800554658 /nfs/dbraw/zinc/55/46/58/800554658.db2.gz QMMKLMKJHPAFOK-GOSISDBHSA-N 1 1 325.412 2.133 20 10 EECDMO C[N@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001180762082 800554660 /nfs/dbraw/zinc/55/46/60/800554660.db2.gz QMMKLMKJHPAFOK-GOSISDBHSA-N 1 1 325.412 2.133 20 10 EECDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817411446 800883812 /nfs/dbraw/zinc/88/38/12/800883812.db2.gz RQLRXVWBULKSHQ-UHFFFAOYSA-N 1 1 327.222 2.208 20 10 EECDMO COC(=O)N1CC(C)([NH2+]Cc2cccc(Br)c2O)C1 ZINC000787765651 807220642 /nfs/dbraw/zinc/22/06/42/807220642.db2.gz 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10 EECDMO Cc1cc(O)c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1C(C)C ZINC000074068041 783491313 /nfs/dbraw/zinc/49/13/13/783491313.db2.gz FFIGKGWRLRKXOC-UHFFFAOYSA-N 1 1 340.489 2.291 20 10 EECDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816477500 784036524 /nfs/dbraw/zinc/03/65/24/784036524.db2.gz AKTQSLKDXJUFCJ-AWEZNQCLSA-N 1 1 348.468 2.307 20 10 EECDMO O=C(OCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(O)c1O ZINC000817187211 784566627 /nfs/dbraw/zinc/56/66/27/784566627.db2.gz MYBPXDQKRGHCPE-UHFFFAOYSA-N 1 1 343.379 2.287 20 10 EECDMO Cc1nc[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000821066015 786582743 /nfs/dbraw/zinc/58/27/43/786582743.db2.gz UONXCLHTSOBFLS-CQSZACIVSA-N 1 1 348.834 2.472 20 10 EECDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509465 789910156 /nfs/dbraw/zinc/91/01/56/789910156.db2.gz BLYGTTVOPXWWLC-UGSOOPFHSA-N 1 1 337.416 2.211 20 10 EECDMO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)cc1 ZINC001032809836 796595341 /nfs/dbraw/zinc/59/53/41/796595341.db2.gz JRIYSQUUJWUYLJ-KBPBESRZSA-N 1 1 333.367 2.107 20 10 EECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027817 803574860 /nfs/dbraw/zinc/57/48/60/803574860.db2.gz QTYQFVVKKXDDGM-SJLPKXTDSA-N 1 1 333.432 2.400 20 10 EECDMO COc1ccc(O)c(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000790740459 808896983 /nfs/dbraw/zinc/89/69/83/808896983.db2.gz MMJVHHCSEBTBCT-INIZCTEOSA-N 1 1 335.448 2.320 20 10 EECDMO CCn1ccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000792313659 809704492 /nfs/dbraw/zinc/70/44/92/809704492.db2.gz MPJACRZTFRGRLS-UHFFFAOYSA-N 1 1 328.460 2.322 20 10 EECDMO CCn1ccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000792313659 809704496 /nfs/dbraw/zinc/70/44/96/809704496.db2.gz MPJACRZTFRGRLS-UHFFFAOYSA-N 1 1 328.460 2.322 20 10 EECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]([C@@H](C)C1CC1)C1CC1)cc2=O ZINC000052607034 214136633 /nfs/dbraw/zinc/13/66/33/214136633.db2.gz XZVBJXITOVCOHN-NSHDSACASA-N 1 1 344.415 2.375 20 10 EECDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000291786222 529974967 /nfs/dbraw/zinc/97/49/67/529974967.db2.gz ADICSFYFLBXGDE-CQSZACIVSA-N 1 1 334.441 2.011 20 10 EECDMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC1CCOCC1 ZINC000112698102 533498119 /nfs/dbraw/zinc/49/81/19/533498119.db2.gz NAYQSOCKJJLCBA-UHFFFAOYSA-N 1 1 327.808 2.447 20 10 EECDMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC1CCOCC1 ZINC000112698102 533498129 /nfs/dbraw/zinc/49/81/29/533498129.db2.gz NAYQSOCKJJLCBA-UHFFFAOYSA-N 1 1 327.808 2.447 20 10 EECDMO COC1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C(N)=O)cc2)CC1 ZINC000296453089 465200075 /nfs/dbraw/zinc/20/00/75/465200075.db2.gz IUQUNVXOJLIFMN-GOSISDBHSA-N 1 1 331.460 2.142 20 10 EECDMO COc1ccc(N2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)cc1 ZINC000047461446 462788019 /nfs/dbraw/zinc/78/80/19/462788019.db2.gz IINSCEPOIMJXSC-UHFFFAOYSA-N 1 1 325.412 2.116 20 10 EECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C)C1=O ZINC000076118445 462811499 /nfs/dbraw/zinc/81/14/99/462811499.db2.gz LYALUDVQMIDIGX-LBPRGKRZSA-N 1 1 327.222 2.207 20 10 EECDMO COCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158085683 463202488 /nfs/dbraw/zinc/20/24/88/463202488.db2.gz YBJDKIQSZHXYFA-AWEZNQCLSA-N 1 1 326.824 2.163 20 10 EECDMO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000124586332 463440691 /nfs/dbraw/zinc/44/06/91/463440691.db2.gz DFIUDYBEPLFURA-AEFFLSMTSA-N 1 1 330.476 2.378 20 10 EECDMO CCn1nccc1N1CCC[C@H]([NH2+]Cc2cccc(F)c2O)C1=O ZINC000276768467 463750480 /nfs/dbraw/zinc/75/04/80/463750480.db2.gz OABCSDVJGGVSRB-AWEZNQCLSA-N 1 1 332.379 2.033 20 10 EECDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cnccn1 ZINC000268822908 463791324 /nfs/dbraw/zinc/79/13/24/463791324.db2.gz HZWORYSQYZRYCH-ZDUSSCGKSA-N 1 1 330.407 2.428 20 10 EECDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)OCO2 ZINC000278420595 463965069 /nfs/dbraw/zinc/96/50/69/463965069.db2.gz RMQHVYJYTXBSAN-YMTOWFKASA-N 1 1 333.306 2.256 20 10 EECDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290158751 464109175 /nfs/dbraw/zinc/10/91/75/464109175.db2.gz LQJJOMQWUXYLEY-CYBMUJFWSA-N 1 1 338.404 2.120 20 10 EECDMO CCCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179567825 464158437 /nfs/dbraw/zinc/15/84/37/464158437.db2.gz HKZACGGEOSOUEM-CQSZACIVSA-N 1 1 327.446 2.190 20 10 EECDMO OCCO[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000179569916 464159953 /nfs/dbraw/zinc/15/99/53/464159953.db2.gz AXEWWBRDPHBRPR-CYBMUJFWSA-N 1 1 330.222 2.128 20 10 EECDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280142023 464191722 /nfs/dbraw/zinc/19/17/22/464191722.db2.gz DCHTVJFLFOVVQP-ZBEGNZNMSA-N 1 1 327.808 2.434 20 10 EECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000179859726 464200848 /nfs/dbraw/zinc/20/08/48/464200848.db2.gz ZBIUAWSJNQONGS-ZOBUZTSGSA-N 1 1 334.460 2.474 20 10 EECDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000180433718 464309197 /nfs/dbraw/zinc/30/91/97/464309197.db2.gz ZURUIFWZIWCCQY-ZBFHGGJFSA-N 1 1 327.446 2.188 20 10 EECDMO COc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1O ZINC000173844262 464321866 /nfs/dbraw/zinc/32/18/66/464321866.db2.gz VJFXLNOPXDJDQT-KBPBESRZSA-N 1 1 335.448 2.320 20 10 EECDMO COc1ccc(O)c(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000180619569 464350950 /nfs/dbraw/zinc/35/09/50/464350950.db2.gz GBTVVSOHAVPKQY-UHFFFAOYSA-N 1 1 340.379 2.129 20 10 EECDMO CCC(CC)[C@H](C(=O)N(C)Cc1ccccc1O)[NH+]1CCOCC1 ZINC000175506001 464563620 /nfs/dbraw/zinc/56/36/20/464563620.db2.gz OBKFTMQXXANZGS-GOSISDBHSA-N 1 1 334.460 2.488 20 10 EECDMO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273560344 464720631 /nfs/dbraw/zinc/72/06/31/464720631.db2.gz HWFHGGRWGOFDKY-DCBWTQNWSA-N 1 1 334.416 2.134 20 10 EECDMO CCCOc1ccc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)c(O)c1 ZINC000093391091 528660231 /nfs/dbraw/zinc/66/02/31/528660231.db2.gz NPPJHRJGBRXEJC-ZDUSSCGKSA-N 1 1 329.462 2.436 20 10 EECDMO CCCOc1ccc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)c(O)c1 ZINC000093391091 528660235 /nfs/dbraw/zinc/66/02/35/528660235.db2.gz NPPJHRJGBRXEJC-ZDUSSCGKSA-N 1 1 329.462 2.436 20 10 EECDMO Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC000727466662 576428704 /nfs/dbraw/zinc/42/87/04/576428704.db2.gz AONAVJFRLPAKLU-SJORKVTESA-N 1 1 333.451 2.379 20 10 EECDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000729038737 576591123 /nfs/dbraw/zinc/59/11/23/576591123.db2.gz CPTNYYSOACANDT-KBPBESRZSA-N 1 1 335.448 2.491 20 10 EECDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000771868298 577235300 /nfs/dbraw/zinc/23/53/00/577235300.db2.gz JWPJFWHPNXLYLC-HOTGVXAUSA-N 1 1 345.409 2.230 20 10 EECDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000734527518 577305947 /nfs/dbraw/zinc/30/59/47/577305947.db2.gz WUZSXAHOKMWINC-ROUUACIJSA-N 1 1 330.476 2.487 20 10 EECDMO COc1c([O-])c(C[N@H+]2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000774875635 577421590 /nfs/dbraw/zinc/42/15/90/577421590.db2.gz LUCKCWDLMOHXAM-ZDUSSCGKSA-N 1 1 332.360 2.343 20 10 EECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000774875635 577421591 /nfs/dbraw/zinc/42/15/91/577421591.db2.gz LUCKCWDLMOHXAM-ZDUSSCGKSA-N 1 1 332.360 2.343 20 10 EECDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3cccn3C)CC2)c1 ZINC000768221092 577552304 /nfs/dbraw/zinc/55/23/04/577552304.db2.gz ZLKKWXIRFWDJOZ-UHFFFAOYSA-N 1 1 343.427 2.087 20 10 EECDMO CCOc1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC000769379648 577576597 /nfs/dbraw/zinc/57/65/97/577576597.db2.gz DAEMKIKEWDSBAM-QGZVFWFLSA-N 1 1 333.476 2.003 20 10 EECDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000769410347 577577265 /nfs/dbraw/zinc/57/72/65/577577265.db2.gz BLFPNUQVQVSKHE-ZDUSSCGKSA-N 1 1 346.349 2.386 20 10 EECDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947496935 678295107 /nfs/dbraw/zinc/29/51/07/678295107.db2.gz FCILHPIHOGYPQA-DZGCQCFKSA-N 1 1 335.448 2.338 20 10 EECDMO CCC[N@@H+](Cc1cc(OCC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179643595 679983462 /nfs/dbraw/zinc/98/34/62/679983462.db2.gz QYEHNOINLQKQGK-CQSZACIVSA-N 1 1 327.446 2.190 20 10 EECDMO COCC[NH+]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000194532196 685360475 /nfs/dbraw/zinc/36/04/75/685360475.db2.gz OGFWIICSKFDGEE-UHFFFAOYSA-N 1 1 341.455 2.498 20 10 EECDMO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)cc1C ZINC001026710560 684875669 /nfs/dbraw/zinc/87/56/69/684875669.db2.gz NHIOKMRDCOZENP-INIZCTEOSA-N 1 1 342.443 2.287 20 10 EECDMO CC(C)n1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898450333 693320004 /nfs/dbraw/zinc/32/00/04/693320004.db2.gz QFUXHLSEZUPDHK-SFHVURJKSA-N 1 1 330.480 2.318 20 10 EECDMO CN(C)c1ccc([C@@H](CNCc2cc(C(N)=O)cs2)[NH+](C)C)cc1 ZINC000898450156 693320040 /nfs/dbraw/zinc/32/00/40/693320040.db2.gz OTDPJYDTEFTJBP-QGZVFWFLSA-N 1 1 346.500 2.306 20 10 EECDMO CCCCN1C[C@@]2(CC[N@@H+](Cc3ccc(C)cc3O)C2)OCC1=O ZINC001272765883 1193487451 /nfs/dbraw/zinc/48/74/51/1193487451.db2.gz LMJNEUYGTXVSBQ-IBGZPJMESA-N 1 1 332.444 2.304 20 10 EECDMO 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CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295069545 464695722 /nfs/dbraw/zinc/69/57/22/464695722.db2.gz QCQHIYZYXLDDNK-GOSISDBHSA-N 1 1 331.460 2.012 20 10 EECDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc(N(C)C)cc2)O1 ZINC000282437717 464819040 /nfs/dbraw/zinc/81/90/40/464819040.db2.gz KUAOJSQLPSNOEE-LIRZEXBASA-N 1 1 332.444 2.436 20 10 EECDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295521834 464867620 /nfs/dbraw/zinc/86/76/20/464867620.db2.gz MKIVGPYCVYEYPR-UHFFFAOYSA-N 1 1 333.476 2.260 20 10 EECDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000268090907 464950042 /nfs/dbraw/zinc/95/00/42/464950042.db2.gz AGFAESWFXFNUIB-RDTXWAMCSA-N 1 1 342.487 2.351 20 10 EECDMO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000184673131 465017088 /nfs/dbraw/zinc/01/70/88/465017088.db2.gz RPNQFDZIXWUSHA-GFCCVEGCSA-N 1 1 333.837 2.063 20 10 EECDMO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000184673131 465017094 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C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291629074 534233680 /nfs/dbraw/zinc/23/36/80/534233680.db2.gz HPHXDBWCYZFYGG-LBPRGKRZSA-N 1 1 345.399 2.043 20 10 EECDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000092304161 528369313 /nfs/dbraw/zinc/36/93/13/528369313.db2.gz ZNSSEULKCDSJDP-CQSZACIVSA-N 1 1 334.441 2.059 20 10 EECDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NC[C@H]1CCCO1 ZINC000733613159 577250175 /nfs/dbraw/zinc/25/01/75/577250175.db2.gz AMJYTPYQRGXJDE-QGZVFWFLSA-N 1 1 332.444 2.432 20 10 EECDMO COc1c(O)c(C[NH2+]C2CCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774991446 577425669 /nfs/dbraw/zinc/42/56/69/577425669.db2.gz GALCUXYVJSYZMN-UHFFFAOYSA-N 1 1 345.346 2.128 20 10 EECDMO COc1c(O)c(C[NH2+]C[C@H]2CSCCS2)ccc1[N+](=O)[O-] ZINC000775033149 577427184 /nfs/dbraw/zinc/42/71/84/577427184.db2.gz LLXAGLQLJSQRKL-JTQLQIEISA-N 1 1 330.431 2.247 20 10 EECDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000776294489 577457310 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NC(=O)C[N@@H+](Cc1cccc(Br)c1O)C1CCCC1 ZINC000132985602 1202144974 /nfs/dbraw/zinc/14/49/74/1202144974.db2.gz SHPKEHJMWIYDNL-UHFFFAOYSA-N 1 1 327.222 2.385 20 10 EECDMO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1c(O)cccc1F ZINC000886609586 1202533479 /nfs/dbraw/zinc/53/34/79/1202533479.db2.gz WUVOTRJSWYSLDP-GWCFXTLKSA-N 1 1 336.329 2.445 20 10 EECDMO COCCOCN1CCC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959765 1205603464 /nfs/dbraw/zinc/60/34/64/1205603464.db2.gz GFLLHJODCVWQHO-UHFFFAOYSA-N 1 1 345.487 2.167 20 10 EECDMO C[N@@H+]1CCC2(CN(Cc3cc(Br)cc(F)c3O)C2)C1 ZINC001276156153 1205804080 /nfs/dbraw/zinc/80/40/80/1205804080.db2.gz QDZXXYHKUOLFPF-UHFFFAOYSA-N 1 1 329.213 2.431 20 10 EECDMO C[N@H+]1CCC2(CN(Cc3cc(Br)cc(F)c3O)C2)C1 ZINC001276156153 1205804081 /nfs/dbraw/zinc/80/40/81/1205804081.db2.gz QDZXXYHKUOLFPF-UHFFFAOYSA-N 1 1 329.213 2.431 20 10 EECDMO COC1(CC(=O)N2CCC23C[NH+](Cc2ccc(C)cc2O)C3)CCC1 ZINC001276169387 1205811691 /nfs/dbraw/zinc/81/16/91/1205811691.db2.gz 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329.213 2.478 20 10 EECDMO O[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1F ZINC001236929746 1305733092 /nfs/dbraw/zinc/73/30/92/1305733092.db2.gz SYGZOPUWSWOEOP-CVEARBPZSA-N 1 1 328.815 2.081 20 10 EECDMO O[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1F ZINC001236929746 1305733100 /nfs/dbraw/zinc/73/31/00/1305733100.db2.gz SYGZOPUWSWOEOP-CVEARBPZSA-N 1 1 328.815 2.081 20 10 EECDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)c(F)c2)CC1 ZINC001236944003 1305740702 /nfs/dbraw/zinc/74/07/02/1305740702.db2.gz YHKWTKPMTXXGNI-VQIMIIECSA-N 1 1 333.451 2.188 20 10 EECDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)c(F)c2)CC1 ZINC001236944003 1305740715 /nfs/dbraw/zinc/74/07/15/1305740715.db2.gz YHKWTKPMTXXGNI-VQIMIIECSA-N 1 1 333.451 2.188 20 10 EECDMO C[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC(F)(F)C1 ZINC001237203075 1305843283 /nfs/dbraw/zinc/84/32/83/1305843283.db2.gz PIZHHDHOUIHZNV-UHFFFAOYSA-N 1 1 344.427 2.151 20 10 EECDMO C[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC(F)(F)C1 ZINC001237203075 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O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC001138125265 1314549641 /nfs/dbraw/zinc/54/96/41/1314549641.db2.gz MPUJNTLXJFYZFY-BFYDXBDKSA-N 1 1 348.418 2.037 20 10 EECDMO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC001138125265 1314549644 /nfs/dbraw/zinc/54/96/44/1314549644.db2.gz MPUJNTLXJFYZFY-BFYDXBDKSA-N 1 1 348.418 2.037 20 10 EECDMO Oc1c(CN2CC[NH+](C3CC3)CC2)cc2c3c1CCCN3CCC2 ZINC001138338925 1314602576 /nfs/dbraw/zinc/60/25/76/1314602576.db2.gz WDKJKYKHMKKNJC-UHFFFAOYSA-N 1 1 327.472 2.371 20 10 EECDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498726 1314622037 /nfs/dbraw/zinc/62/20/37/1314622037.db2.gz BHZNRYQDPUYHRU-NVXWUHKLSA-N 1 1 332.444 2.154 20 10 EECDMO COc1cc(CN(CCO)Cc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253071 1314721342 /nfs/dbraw/zinc/72/13/42/1314721342.db2.gz KOKMCOKRGMJPST-UHFFFAOYSA-N 1 1 344.455 2.457 20 10 EECDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664657 1314925285 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EECDMO CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H]2COC)c(O)c1 ZINC001249743929 1317162523 /nfs/dbraw/zinc/16/25/23/1317162523.db2.gz PTQVNJXDFXGIAW-OAHLLOKOSA-N 1 1 337.416 2.335 20 10 EECDMO CCOC(=O)CCCOc1ccc(CN2CC[N@H+]3CC[C@H]3C2)c(O)c1 ZINC001249743305 1317162714 /nfs/dbraw/zinc/16/27/14/1317162714.db2.gz JMWICNDLWGTANB-INIZCTEOSA-N 1 1 348.443 2.004 20 10 EECDMO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001249743305 1317162718 /nfs/dbraw/zinc/16/27/18/1317162718.db2.gz JMWICNDLWGTANB-INIZCTEOSA-N 1 1 348.443 2.004 20 10 EECDMO CCOC(=O)CCCOc1ccc(C[N@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001249743305 1317162722 /nfs/dbraw/zinc/16/27/22/1317162722.db2.gz JMWICNDLWGTANB-INIZCTEOSA-N 1 1 348.443 2.004 20 10 EECDMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)c1O ZINC001203584381 1321916961 /nfs/dbraw/zinc/91/69/61/1321916961.db2.gz AARXXHRTULIQSI-GOSISDBHSA-N 1 1 342.439 2.080 20 10 EECDMO COc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CO)C2)c1O ZINC001203584381 1321916962 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EECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C)CC3)CC2)cc1 ZINC000745170972 577910141 /nfs/dbraw/zinc/91/01/41/577910141.db2.gz ZCBBJRVQMIMYIJ-QGZVFWFLSA-N 1 1 345.487 2.466 20 10 EECDMO COc1ccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c(O)c1OC ZINC000894126100 681604847 /nfs/dbraw/zinc/60/48/47/681604847.db2.gz ZUYBJEUOHQODAO-ZDUSSCGKSA-N 1 1 337.416 2.179 20 10 EECDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Br)cc3O)C[C@@H]2C1 ZINC000895577390 684647570 /nfs/dbraw/zinc/64/75/70/684647570.db2.gz YFPJAEWVZUKPNC-BETUJISGSA-N 1 1 339.233 2.065 20 10 EECDMO O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001272387048 1190796999 /nfs/dbraw/zinc/79/69/99/1190796999.db2.gz RWRKUYJJRYGPQF-HNNXBMFYSA-N 1 1 344.333 2.085 20 10 EECDMO CC(C)C[N@H+]1CC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001272416277 1190808811 /nfs/dbraw/zinc/80/88/11/1190808811.db2.gz YUDVTJISFGTOLJ-FQEVSTJZSA-N 1 1 345.487 2.212 20 10 EECDMO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001273207044 1197538028 /nfs/dbraw/zinc/53/80/28/1197538028.db2.gz WXIISPCOMSBVIX-MRXNPFEDSA-N 1 1 345.487 2.273 20 10 EECDMO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001273304544 1198004451 /nfs/dbraw/zinc/00/44/51/1198004451.db2.gz NMYLWDJVLCBSEM-WFASDCNBSA-N 1 1 348.418 2.227 20 10 EECDMO C[N@@H+](C[C@H](O)CN1CCCc2cc(OC(F)F)ccc21)C1CC1 ZINC000809956118 1199166342 /nfs/dbraw/zinc/16/63/42/1199166342.db2.gz FAFSYKRXDSXUMI-AWEZNQCLSA-N 1 1 326.387 2.496 20 10 EECDMO CCOc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000814178309 1199327796 /nfs/dbraw/zinc/32/77/96/1199327796.db2.gz LGLPTPFHGSJDIA-UHFFFAOYSA-N 1 1 327.446 2.048 20 10 EECDMO CCN1CCN(c2ccc(C[NH2+]C[C@@H](OC)C3CC3)cc2F)CC1 ZINC000877012693 1199844396 /nfs/dbraw/zinc/84/43/96/1199844396.db2.gz YDFYGKCDPATHEH-LJQANCHMSA-N 1 1 335.467 2.482 20 10 EECDMO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC001275055056 1205244629 /nfs/dbraw/zinc/24/46/29/1205244629.db2.gz RSAVMDZXQSGQIM-TVQRCGJNSA-N 1 1 329.213 2.430 20 10 EECDMO C[N@H+]1C[C@@H]2CCN(Cc3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC001275055056 1205244631 /nfs/dbraw/zinc/24/46/31/1205244631.db2.gz RSAVMDZXQSGQIM-TVQRCGJNSA-N 1 1 329.213 2.430 20 10 EECDMO Oc1ccc(F)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCn1ccnc1 ZINC001275912829 1205582153 /nfs/dbraw/zinc/58/21/53/1205582153.db2.gz FJEQEFQWCVNFRS-IRXDYDNUSA-N 1 1 330.407 2.077 20 10 EECDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001275912829 1205582155 /nfs/dbraw/zinc/58/21/55/1205582155.db2.gz FJEQEFQWCVNFRS-IRXDYDNUSA-N 1 1 330.407 2.077 20 10 EECDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001275912829 1205582157 /nfs/dbraw/zinc/58/21/57/1205582157.db2.gz FJEQEFQWCVNFRS-IRXDYDNUSA-N 1 1 330.407 2.077 20 10 EECDMO CO[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000189045419 1208951064 /nfs/dbraw/zinc/95/10/64/1208951064.db2.gz BQXJZQSRARBCFD-GOSISDBHSA-N 1 1 331.460 2.314 20 10 EECDMO CO[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000189045419 1208951066 /nfs/dbraw/zinc/95/10/66/1208951066.db2.gz BQXJZQSRARBCFD-GOSISDBHSA-N 1 1 331.460 2.314 20 10 EECDMO CC(C)[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000193849317 1211024817 /nfs/dbraw/zinc/02/48/17/1211024817.db2.gz FTECOECHZAXAJJ-UHFFFAOYSA-N 1 1 349.450 2.151 20 10 EECDMO CCCS(=O)(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000194311722 1211155083 /nfs/dbraw/zinc/15/50/83/1211155083.db2.gz UQGWWPVOCWOQBM-UHFFFAOYSA-N 1 1 340.489 2.032 20 10 EECDMO CCCS(=O)(=O)CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000194311722 1211155086 /nfs/dbraw/zinc/15/50/86/1211155086.db2.gz UQGWWPVOCWOQBM-UHFFFAOYSA-N 1 1 340.489 2.032 20 10 EECDMO C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000962976583 1217314179 /nfs/dbraw/zinc/31/41/79/1217314179.db2.gz QHKBMSZDTQZGGT-BSLXNSKLSA-N 1 1 347.394 2.257 20 10 EECDMO CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007794391 1222423165 /nfs/dbraw/zinc/42/31/65/1222423165.db2.gz WKIRIVNLPYUNRS-ZFWWWQNUSA-N 1 1 335.448 2.339 20 10 EECDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C2)cc1 ZINC001016366254 1226397325 /nfs/dbraw/zinc/39/73/25/1226397325.db2.gz ABTIANOWDSZRAP-OAHLLOKOSA-N 1 1 329.404 2.453 20 10 EECDMO CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863732 1235261333 /nfs/dbraw/zinc/26/13/33/1235261333.db2.gz HRHIJBYCGWPAJU-YVEFUNNKSA-N 1 1 347.419 2.078 20 10 EECDMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)CC2)cc1 ZINC001052964708 1245570216 /nfs/dbraw/zinc/57/02/16/1245570216.db2.gz JCEICNARXUDQQJ-ZDUSSCGKSA-N 1 1 335.383 2.403 20 10 EECDMO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C)c2O)C1=O ZINC001273769888 1285275659 /nfs/dbraw/zinc/27/56/59/1285275659.db2.gz NQWSXBNEIXEOJK-IBGZPJMESA-N 1 1 332.444 2.304 20 10 EECDMO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(OC)c(O)cc2O)C1=O ZINC001273787779 1285864472 /nfs/dbraw/zinc/86/44/72/1285864472.db2.gz DYOSKOFSFKUTCI-BFUOFWGJSA-N 1 1 348.443 2.472 20 10 EECDMO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000858090276 1294003259 /nfs/dbraw/zinc/00/32/59/1294003259.db2.gz KHZANSZKEBBEFV-UHFFFAOYSA-N 1 1 325.412 2.294 20 10 EECDMO Oc1cccc(Br)c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000862303273 1295790203 /nfs/dbraw/zinc/79/02/03/1295790203.db2.gz OBLVBSZERCDEHI-UHFFFAOYSA-N 1 1 328.206 2.494 20 10 EECDMO Oc1cccc(Br)c1C[N@H+]1CCCC2(C1)OCCO2 ZINC000862303273 1295790210 /nfs/dbraw/zinc/79/02/10/1295790210.db2.gz OBLVBSZERCDEHI-UHFFFAOYSA-N 1 1 328.206 2.494 20 10 EECDMO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c(O)cc1Br ZINC001276788965 1297699220 /nfs/dbraw/zinc/69/92/20/1297699220.db2.gz FDOCVZIOOVLAHO-STQMWFEESA-N 1 1 341.249 2.442 20 10 EECDMO COc1cccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)c1O ZINC001277452609 1303146140 /nfs/dbraw/zinc/14/61/40/1303146140.db2.gz XQUJHMNIXKNRSQ-HNAYVOBHSA-N 1 1 332.444 2.481 20 10 EECDMO CCOc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c1O ZINC001277453534 1303159972 /nfs/dbraw/zinc/15/99/72/1303159972.db2.gz AFJHSYWDSLRPIV-DNVCBOLYSA-N 1 1 328.412 2.011 20 10 EECDMO CNC(=O)[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000781576979 1303821820 /nfs/dbraw/zinc/82/18/20/1303821820.db2.gz KMSFSSIOXUCQDX-SFHVURJKSA-N 1 1 340.379 2.238 20 10 EECDMO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)c1O ZINC001231594370 1303860070 /nfs/dbraw/zinc/86/00/70/1303860070.db2.gz CIIFPNLGVXXXJH-MRXNPFEDSA-N 1 1 325.412 2.490 20 10 EECDMO COc1cc(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(O)cc1O ZINC001231633148 1303870826 /nfs/dbraw/zinc/87/08/26/1303870826.db2.gz JEQADNOFMVKOPK-KGLIPLIRSA-N 1 1 340.379 2.274 20 10 EECDMO COc1cc(C[N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(O)cc1O ZINC001231637058 1303873717 /nfs/dbraw/zinc/87/37/17/1303873717.db2.gz ZKFSUUNGUGRPNT-IBGZPJMESA-N 1 1 348.443 2.329 20 10 EECDMO COc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)cc1Cl ZINC001232264755 1304058154 /nfs/dbraw/zinc/05/81/54/1304058154.db2.gz CYROZRWDJZENPP-ATCWAGBWSA-N 1 1 338.835 2.257 20 10 EECDMO CC[C@H]1[N@@H+](Cc2ccc(N(C)C)cc2O)CCC[C@]12CCC(=O)N2 ZINC001232838252 1304265791 /nfs/dbraw/zinc/26/57/91/1304265791.db2.gz IFNHJUXXXVZPDZ-MJGOQNOKSA-N 1 1 331.460 2.481 20 10 EECDMO C[NH+](C)C[C@@H]1COCCN1Cc1c(O)cc(Br)cc1F ZINC001233029811 1304333816 /nfs/dbraw/zinc/33/38/16/1304333816.db2.gz IVITYUXVGLUTKG-LLVKDONJSA-N 1 1 347.228 2.056 20 10 EECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001233105858 1304361707 /nfs/dbraw/zinc/36/17/07/1304361707.db2.gz BGNNATNYYFGGHJ-HIFRSBDPSA-N 1 1 344.249 2.028 20 10 EECDMO CCOC(=O)c1c(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c2ccccc2n1C ZINC001233272854 1304412664 /nfs/dbraw/zinc/41/26/64/1304412664.db2.gz DWCICFZQDBUXDK-KBPBESRZSA-N 1 1 327.428 2.243 20 10 EECDMO COc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1O ZINC001233289107 1304417991 /nfs/dbraw/zinc/41/79/91/1304417991.db2.gz KDCUZYQHUGWWIW-NHAGDIPZSA-N 1 1 338.835 2.257 20 10 EECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC12CC2 ZINC001233291311 1304418643 /nfs/dbraw/zinc/41/86/43/1304418643.db2.gz VRNQXLSQEHHJMG-LBPRGKRZSA-N 1 1 325.792 2.439 20 10 EECDMO COCC[N@@H+](Cc1c([O-])ccc(F)c1F)C1CCN(C(C)=O)CC1 ZINC001233334788 1304435074 /nfs/dbraw/zinc/43/50/74/1304435074.db2.gz TXRDGTPGXDGVFJ-UHFFFAOYSA-N 1 1 342.386 2.130 20 10 EECDMO COCC[N@H+](Cc1c(O)ccc(F)c1F)C1CCN(C(C)=O)CC1 ZINC001233334788 1304435078 /nfs/dbraw/zinc/43/50/78/1304435078.db2.gz TXRDGTPGXDGVFJ-UHFFFAOYSA-N 1 1 342.386 2.130 20 10 EECDMO COCC[N@@H+](Cc1c(O)ccc(F)c1F)C1CCN(C(C)=O)CC1 ZINC001233334788 1304435080 /nfs/dbraw/zinc/43/50/80/1304435080.db2.gz TXRDGTPGXDGVFJ-UHFFFAOYSA-N 1 1 342.386 2.130 20 10 EECDMO Oc1cc(O)c(C[NH+]2CCN(Cc3ccccc3F)CC2)cc1O ZINC001233485439 1304478795 /nfs/dbraw/zinc/47/87/95/1304478795.db2.gz WARMDDCGKUUIOT-UHFFFAOYSA-N 1 1 332.375 2.260 20 10 EECDMO COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)cc1OC ZINC001236753317 1305659553 /nfs/dbraw/zinc/65/95/53/1305659553.db2.gz LMKAVRSIJRJVFW-CQSZACIVSA-N 1 1 345.399 2.161 20 10 EECDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@@]1(C)O ZINC001236769769 1305668879 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O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1)C(F)(F)F ZINC000291686520 534563832 /nfs/dbraw/zinc/56/38/32/534563832.db2.gz XQWCXPMLBZGVBR-JTQLQIEISA-N 1 1 334.313 2.422 20 10 EECDMO CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(CC)CC3)C2)c(O)c1 ZINC000093133196 528664412 /nfs/dbraw/zinc/66/44/12/528664412.db2.gz OWFLVLZSLSMGNK-SFHVURJKSA-N 1 1 347.503 2.393 20 10 EECDMO CCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(CC)CC3)C2)c(O)c1 ZINC000093133196 528664416 /nfs/dbraw/zinc/66/44/16/528664416.db2.gz OWFLVLZSLSMGNK-SFHVURJKSA-N 1 1 347.503 2.393 20 10 EECDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000731870150 577128797 /nfs/dbraw/zinc/12/87/97/577128797.db2.gz DWSOTFUYIUQORW-QGZVFWFLSA-N 1 1 333.501 2.340 20 10 EECDMO O=c1ccccn1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000732202309 577156219 /nfs/dbraw/zinc/15/62/19/577156219.db2.gz MIUSTQTVTVLVAV-QGZVFWFLSA-N 1 1 328.412 2.235 20 10 EECDMO CN1CCN(c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736286 577444294 /nfs/dbraw/zinc/44/42/94/577444294.db2.gz 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CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@](C)(CC)C1)cc2=O ZINC000758747800 577630634 /nfs/dbraw/zinc/63/06/34/577630634.db2.gz MCWLHMZDSLXMBK-KRWDZBQOSA-N 1 1 332.404 2.234 20 10 EECDMO COc1cc(O)c(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1OC ZINC000761226434 577679797 /nfs/dbraw/zinc/67/97/97/577679797.db2.gz RMXXFBMRRHHPJM-UHFFFAOYSA-N 1 1 348.443 2.242 20 10 EECDMO COc1cc(O)c(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1OC ZINC000761226434 577679798 /nfs/dbraw/zinc/67/97/98/577679798.db2.gz RMXXFBMRRHHPJM-UHFFFAOYSA-N 1 1 348.443 2.242 20 10 EECDMO O=C1O[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC12CC2 ZINC000763731294 577725413 /nfs/dbraw/zinc/72/54/13/577725413.db2.gz VAMIKEQLAPLHRT-JKSUJKDBSA-N 1 1 331.412 2.469 20 10 EECDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000752357034 577769611 /nfs/dbraw/zinc/76/96/11/577769611.db2.gz VGXKHJXYXBEKKY-MRXNPFEDSA-N 1 1 345.487 2.464 20 10 EECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c1O ZINC000754153318 577801259 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CCCOc1ccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c(O)c1 ZINC000185866866 463894109 /nfs/dbraw/zinc/89/41/09/463894109.db2.gz HQFQPNMZBPUVBZ-INIZCTEOSA-N 1 1 335.492 2.297 20 10 EECDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000278479723 463966105 /nfs/dbraw/zinc/96/61/05/463966105.db2.gz AKKPQBRFDBYCIT-KXBFYZLASA-N 1 1 336.476 2.129 20 10 EECDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180000282 464222011 /nfs/dbraw/zinc/22/20/11/464222011.db2.gz VZAOZQDMDPVLPJ-LLVKDONJSA-N 1 1 338.404 2.372 20 10 EECDMO CC(C)[N@@H+](C)CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264621448 464398008 /nfs/dbraw/zinc/39/80/08/464398008.db2.gz JPMFBXATNSYHOD-JXMROGBWSA-N 1 1 345.487 2.383 20 10 EECDMO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H](C)C1 ZINC000265201840 464512863 /nfs/dbraw/zinc/51/28/63/464512863.db2.gz HCKFVYCEKUXIIH-WBVHZDCISA-N 1 1 349.475 2.328 20 10 EECDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC000272570985 464664413 /nfs/dbraw/zinc/66/44/13/464664413.db2.gz LDPWSVMSSWMBLX-PKOBYXMFSA-N 1 1 340.471 2.298 20 10 EECDMO OCCC[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000273478764 464718709 /nfs/dbraw/zinc/71/87/09/464718709.db2.gz KVAAULFRCLYGGT-UHFFFAOYSA-N 1 1 331.412 2.148 20 10 EECDMO CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000274888937 464758004 /nfs/dbraw/zinc/75/80/04/464758004.db2.gz CWUYDBVZPQWMER-ZDUSSCGKSA-N 1 1 340.395 2.257 20 10 EECDMO CCOc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371471057 465817177 /nfs/dbraw/zinc/81/71/77/465817177.db2.gz QMLJLFKFBOBBKZ-LZLYRXPVSA-N 1 1 334.460 2.474 20 10 EECDMO CCOc1cccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472716 466363477 /nfs/dbraw/zinc/36/34/77/466363477.db2.gz UENCIHNSSGCUAP-QGZVFWFLSA-N 1 1 333.476 2.003 20 10 EECDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)cc1 ZINC000365097592 466730666 /nfs/dbraw/zinc/73/06/66/466730666.db2.gz GDSBRTIEDSBGPL-KRWDZBQOSA-N 1 1 330.428 2.303 20 10 EECDMO Cc1cccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1O ZINC000373217421 466730864 /nfs/dbraw/zinc/73/08/64/466730864.db2.gz RCCLZRQOUWWCOK-UHFFFAOYSA-N 1 1 346.452 2.482 20 10 EECDMO Cc1cccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1O ZINC000373217421 466730869 /nfs/dbraw/zinc/73/08/69/466730869.db2.gz RCCLZRQOUWWCOK-UHFFFAOYSA-N 1 1 346.452 2.482 20 10 EECDMO COc1ccccc1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109771217 534051896 /nfs/dbraw/zinc/05/18/96/534051896.db2.gz NVGQXMFQKLDKFX-UHFFFAOYSA-N 1 1 328.412 2.491 20 10 EECDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000771868300 577235303 /nfs/dbraw/zinc/23/53/03/577235303.db2.gz JWPJFWHPNXLYLC-JKSUJKDBSA-N 1 1 345.409 2.230 20 10 EECDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000773749283 577362639 /nfs/dbraw/zinc/36/26/39/577362639.db2.gz RYJMGDKBUHPWNL-IBGZPJMESA-N 1 1 345.487 2.356 20 10 EECDMO COc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)cc1C ZINC000766672403 577523133 /nfs/dbraw/zinc/52/31/33/577523133.db2.gz ZEDAWICYKRVQEP-AWEZNQCLSA-N 1 1 327.446 2.108 20 10 EECDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769481467 577578963 /nfs/dbraw/zinc/57/89/63/577578963.db2.gz AJHYMUVDMMHNFI-OAHLLOKOSA-N 1 1 336.407 2.190 20 10 EECDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769567795 577580660 /nfs/dbraw/zinc/58/06/60/577580660.db2.gz CBRASABEFOZSGY-CQSZACIVSA-N 1 1 348.447 2.399 20 10 EECDMO COCC[N@@H+](CCC(=O)OC)Cc1cc(Cl)cc(OC)c1O ZINC000761198524 577678936 /nfs/dbraw/zinc/67/89/36/577678936.db2.gz JXJIFHWVXZNTIW-UHFFFAOYSA-N 1 1 331.796 2.066 20 10 EECDMO CCC[N@@H+](C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000754028239 577798824 /nfs/dbraw/zinc/79/88/24/577798824.db2.gz SRZDXTJNDONWQT-IBGZPJMESA-N 1 1 347.503 2.053 20 10 EECDMO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000754152987 577801233 /nfs/dbraw/zinc/80/12/33/577801233.db2.gz CBTFKMHUJOVJJS-HDICACEKSA-N 1 1 349.431 2.431 20 10 EECDMO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000754152987 577801234 /nfs/dbraw/zinc/80/12/34/577801234.db2.gz CBTFKMHUJOVJJS-HDICACEKSA-N 1 1 349.431 2.431 20 10 EECDMO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)c(F)cc1O ZINC000756434154 577844099 /nfs/dbraw/zinc/84/40/99/577844099.db2.gz IRFVBYBBPHBURW-RKDXNWHRSA-N 1 1 334.185 2.360 20 10 EECDMO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756761791 577849883 /nfs/dbraw/zinc/84/98/83/577849883.db2.gz MRZRLVZEKTYVAF-RNCFNFMXSA-N 1 1 348.415 2.463 20 10 EECDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891622154 676732771 /nfs/dbraw/zinc/73/27/71/676732771.db2.gz VSPQCFBJAYOJRF-CYBMUJFWSA-N 1 1 338.404 2.120 20 10 EECDMO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000892044579 677945745 /nfs/dbraw/zinc/94/57/45/677945745.db2.gz MOCUXXPDNUVVGY-LBPRGKRZSA-N 1 1 345.461 2.055 20 10 EECDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000892044579 677945747 /nfs/dbraw/zinc/94/57/47/677945747.db2.gz MOCUXXPDNUVVGY-LBPRGKRZSA-N 1 1 345.461 2.055 20 10 EECDMO COc1ccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(O)c1OC ZINC000892200832 678247786 /nfs/dbraw/zinc/24/77/86/678247786.db2.gz IBRQVNKAYCJOQD-ZDUSSCGKSA-N 1 1 331.416 2.208 20 10 EECDMO COc1cccc(O)c1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000895004382 683459838 /nfs/dbraw/zinc/45/98/38/683459838.db2.gz PTWMPUBXUNEDGG-LJQANCHMSA-N 1 1 326.396 2.030 20 10 EECDMO COc1ccc(C[N@@H+](CCO)Cc2cc3c(cc2O)OCO3)cc1 ZINC000895710630 684693463 /nfs/dbraw/zinc/69/34/63/684693463.db2.gz JSVSDURZZJMPMN-UHFFFAOYSA-N 1 1 331.368 2.124 20 10 EECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895784807 684722935 /nfs/dbraw/zinc/72/29/35/684722935.db2.gz MXYRZGHAXBSIDP-BIMULSAOSA-N 1 1 342.233 2.366 20 10 EECDMO Cc1csc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000029583278 687805966 /nfs/dbraw/zinc/80/59/66/687805966.db2.gz GSHWXNDDASQJMM-UHFFFAOYSA-N 1 1 333.413 2.208 20 10 EECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3O)cc2)CC1 ZINC000898392310 693298886 /nfs/dbraw/zinc/29/88/86/693298886.db2.gz RGOYJSPPVFYFRI-NHCUHLMSSA-N 1 1 337.467 2.186 20 10 EECDMO CN(C)c1ccc([C@H](CNCc2cc(C(N)=O)cs2)[NH+](C)C)cc1 ZINC000898450155 693319786 /nfs/dbraw/zinc/31/97/86/693319786.db2.gz OTDPJYDTEFTJBP-KRWDZBQOSA-N 1 1 346.500 2.306 20 10 EECDMO O=S(=O)(Nc1ccc2c(c1)C[NH2+]CC2)c1cccc2nsnc21 ZINC000149111378 1187398641 /nfs/dbraw/zinc/39/86/41/1187398641.db2.gz KTEFMPGLLQHZES-UHFFFAOYSA-N 1 1 346.437 2.138 20 10 EECDMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)ccc2O)N1C1COC1 ZINC001272635968 1190942347 /nfs/dbraw/zinc/94/23/47/1190942347.db2.gz ABNWQSPCIQCTOP-HUUCEWRRSA-N 1 1 336.819 2.010 20 10 EECDMO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCC4)C3)cc2)CC1 ZINC000876660509 1199713814 /nfs/dbraw/zinc/71/38/14/1199713814.db2.gz UQYHJGMDGZSXIM-IBGZPJMESA-N 1 1 329.488 2.318 20 10 EECDMO OC1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCC4)C3)cc2)CC1 ZINC000876660509 1199713820 /nfs/dbraw/zinc/71/38/20/1199713820.db2.gz UQYHJGMDGZSXIM-IBGZPJMESA-N 1 1 329.488 2.318 20 10 EECDMO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[nH]1 ZINC000877129899 1199866887 /nfs/dbraw/zinc/86/68/87/1199866887.db2.gz OQFOUYRCQNJSSJ-CYBMUJFWSA-N 1 1 329.448 2.179 20 10 EECDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877169879 1199874540 /nfs/dbraw/zinc/87/45/40/1199874540.db2.gz GSFCDJDFEFROJB-OAHLLOKOSA-N 1 1 346.471 2.421 20 10 EECDMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531959 1199958203 /nfs/dbraw/zinc/95/82/03/1199958203.db2.gz SHOWBNGZEZQIRY-OXQOHEQNSA-N 1 1 331.504 2.420 20 10 EECDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877644896 1200003955 /nfs/dbraw/zinc/00/39/55/1200003955.db2.gz VBYKYNBTSZJVAY-SFHVURJKSA-N 1 1 345.512 2.493 20 10 EECDMO CN(Cc1cccs1)c1ccc(CN2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000877644896 1200003960 /nfs/dbraw/zinc/00/39/60/1200003960.db2.gz VBYKYNBTSZJVAY-SFHVURJKSA-N 1 1 345.512 2.493 20 10 EECDMO CN(Cc1cccs1)c1ccc(CN2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000877644896 1200003964 /nfs/dbraw/zinc/00/39/64/1200003964.db2.gz VBYKYNBTSZJVAY-SFHVURJKSA-N 1 1 345.512 2.493 20 10 EECDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000882987126 1201991467 /nfs/dbraw/zinc/99/14/67/1201991467.db2.gz UCUSSUUZGNCGLE-LLVKDONJSA-N 1 1 345.292 2.478 20 10 EECDMO CNC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000133339103 1202190599 /nfs/dbraw/zinc/19/05/99/1202190599.db2.gz DJRNTOWBZODWJL-UHFFFAOYSA-N 1 1 327.222 2.113 20 10 EECDMO CN(C)c1ccc(CN2CC3(C[NH+](C4CCCC4)C3)OCC2=O)cc1 ZINC001274025538 1204332007 /nfs/dbraw/zinc/33/20/07/1204332007.db2.gz LFASCOWQSJCTQZ-UHFFFAOYSA-N 1 1 343.471 2.108 20 10 EECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@]2(CCN(C3COC3)C2=O)CC1 ZINC001274303168 1204991023 /nfs/dbraw/zinc/99/10/23/1204991023.db2.gz FUYIVHLXMDKUFJ-FQEVSTJZSA-N 1 1 344.455 2.304 20 10 EECDMO Cc1cccc(O)c1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001274303109 1204991142 /nfs/dbraw/zinc/99/11/42/1204991142.db2.gz DEABFZNZNIAVAU-HXUWFJFHSA-N 1 1 346.471 2.408 20 10 EECDMO CCN(CC)c1ccc(C[NH+]2CC3(CCN3COCCOC)C2)cc1 ZINC001275833179 1205556046 /nfs/dbraw/zinc/55/60/46/1205556046.db2.gz AXJYZMKRISZANE-UHFFFAOYSA-N 1 1 347.503 2.413 20 10 EECDMO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000245818696 1211972794 /nfs/dbraw/zinc/97/27/94/1211972794.db2.gz KVVRIIXQFBFALQ-ZIAGYGMSSA-N 1 1 335.448 2.493 20 10 EECDMO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC1CCC1 ZINC000796541009 1221246855 /nfs/dbraw/zinc/24/68/55/1221246855.db2.gz ZMZPRLIVSJRRHT-UHFFFAOYSA-N 1 1 345.487 2.466 20 10 EECDMO C[C@@H](F)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039062146 1230273209 /nfs/dbraw/zinc/27/32/09/1230273209.db2.gz UZZXULNUYLYHML-RISCZKNCSA-N 1 1 335.383 2.401 20 10 EECDMO COC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863359 1235260779 /nfs/dbraw/zinc/26/07/79/1235260779.db2.gz XUGZMPWTNQDWHB-SJCJKPOMSA-N 1 1 347.419 2.078 20 10 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CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)cc1 ZINC001203934391 1321994373 /nfs/dbraw/zinc/99/43/73/1321994373.db2.gz YCDOFRSHWSVOIT-OSYLJGHBSA-N 1 1 327.472 2.489 20 10 EECDMO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1csnn1 ZINC001261377722 1322084350 /nfs/dbraw/zinc/08/43/50/1322084350.db2.gz CUKJKPUHSQBYFG-LBPRGKRZSA-N 1 1 335.452 2.280 20 10 EECDMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(O)cc1O)C2 ZINC001204274095 1322100093 /nfs/dbraw/zinc/10/00/93/1322100093.db2.gz IEZJMFQMZPWSQN-XLIONFOSSA-N 1 1 346.471 2.278 20 10 EECDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(O)cc1O)C2 ZINC001204274095 1322100097 /nfs/dbraw/zinc/10/00/97/1322100097.db2.gz IEZJMFQMZPWSQN-XLIONFOSSA-N 1 1 346.471 2.278 20 10 EECDMO COCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317955362 1332450874 /nfs/dbraw/zinc/45/08/74/1332450874.db2.gz LXOMFTBFYLOVIH-OAHLLOKOSA-N 1 1 347.419 2.080 20 10 EECDMO Fc1cc(CN2CCC[N@H+]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001319699964 1332745992 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EECDMO Cc1cc(O)c(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1C(C)C ZINC000182958837 780080425 /nfs/dbraw/zinc/08/04/25/780080425.db2.gz LENBDFODPHRKJN-AWEZNQCLSA-N 1 1 340.489 2.290 20 10 EECDMO COc1ccc(C[N@@H+](C)CCCNC(=O)C2CCC2)c(O)c1OC ZINC000894038910 780451488 /nfs/dbraw/zinc/45/14/88/780451488.db2.gz OYSIGOTYFVFXMO-UHFFFAOYSA-N 1 1 336.432 2.148 20 10 EECDMO C[C@@H](CO)[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CCC1 ZINC000809665056 783293587 /nfs/dbraw/zinc/29/35/87/783293587.db2.gz NPRUBSMESXHHLD-KRWDZBQOSA-N 1 1 331.504 2.421 20 10 EECDMO C[C@@H](CO)[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CCC1 ZINC000809665056 783293592 /nfs/dbraw/zinc/29/35/92/783293592.db2.gz NPRUBSMESXHHLD-KRWDZBQOSA-N 1 1 331.504 2.421 20 10 EECDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816593457 784127814 /nfs/dbraw/zinc/12/78/14/784127814.db2.gz SGOVQNCMZUKUFG-QAPCUYQASA-N 1 1 345.439 2.391 20 10 EECDMO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]2C)cc1C ZINC001035916730 785423728 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NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCF)C2)cc1 ZINC001036905855 796451107 /nfs/dbraw/zinc/45/11/07/796451107.db2.gz QFCSAQSHESAHPX-DZGCQCFKSA-N 1 1 347.394 2.355 20 10 EECDMO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001172593051 797024097 /nfs/dbraw/zinc/02/40/97/797024097.db2.gz RWCNLAJIAYIBQJ-QZTJIDSGSA-N 1 1 345.487 2.260 20 10 EECDMO COC(=O)N1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001172735510 797074841 /nfs/dbraw/zinc/07/48/41/797074841.db2.gz GGGKYPJHUBFSPJ-UHFFFAOYSA-N 1 1 347.459 2.186 20 10 EECDMO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798180685 804993693 /nfs/dbraw/zinc/99/36/93/804993693.db2.gz LQBKEWVVLPZGTG-VIFPVBQESA-N 1 1 325.352 2.496 20 10 EECDMO COc1ccc(O)c([C@@H](C)NC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000790970080 809010755 /nfs/dbraw/zinc/01/07/55/809010755.db2.gz DTHIVDHYRJFOTK-GFCCVEGCSA-N 1 1 344.415 2.494 20 10 EECDMO COC(=O)C[C@@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCCOC1 ZINC000792174971 809638487 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CCn1cnnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000158383265 463231462 /nfs/dbraw/zinc/23/14/62/463231462.db2.gz KKKYIYBMKREFKJ-ZDUSSCGKSA-N 1 1 333.411 2.125 20 10 EECDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(O)c2O)cn1 ZINC000177674258 463763068 /nfs/dbraw/zinc/76/30/68/463763068.db2.gz HFPMUQXKLVFUOQ-UHFFFAOYSA-N 1 1 338.367 2.225 20 10 EECDMO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000171351540 463850057 /nfs/dbraw/zinc/85/00/57/463850057.db2.gz AKWDYWNZHHGYFT-SFHVURJKSA-N 1 1 333.476 2.212 20 10 EECDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000278168391 463956205 /nfs/dbraw/zinc/95/62/05/463956205.db2.gz FKCOEFFBKPFHFT-UHFFFAOYSA-N 1 1 326.349 2.083 20 10 EECDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000278168391 463956210 /nfs/dbraw/zinc/95/62/10/463956210.db2.gz FKCOEFFBKPFHFT-UHFFFAOYSA-N 1 1 326.349 2.083 20 10 EECDMO Cc1cc(N2CCC(NC(=O)Cc3ccc(N)cc3)CC2)nc(C)[nH+]1 ZINC000178846158 463991345 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/nfs/dbraw/zinc/85/45/67/1314854567.db2.gz WGWVXMABPRFBFB-SFHVURJKSA-N 1 1 334.460 2.277 20 10 EECDMO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140288562 1314854570 /nfs/dbraw/zinc/85/45/70/1314854570.db2.gz WGWVXMABPRFBFB-SFHVURJKSA-N 1 1 334.460 2.277 20 10 EECDMO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 ZINC001140619732 1314915886 /nfs/dbraw/zinc/91/58/86/1314915886.db2.gz MBYDEVLPUDQRJW-HNNXBMFYSA-N 1 1 336.432 2.114 20 10 EECDMO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 ZINC001140619732 1314915887 /nfs/dbraw/zinc/91/58/87/1314915887.db2.gz MBYDEVLPUDQRJW-HNNXBMFYSA-N 1 1 336.432 2.114 20 10 EECDMO Cc1c(O)ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1O ZINC001140748431 1314954564 /nfs/dbraw/zinc/95/45/64/1314954564.db2.gz ZYYOEZIHDRDBIB-UHFFFAOYSA-N 1 1 340.423 2.293 20 10 EECDMO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141162035 1315051932 /nfs/dbraw/zinc/05/19/32/1315051932.db2.gz JQTPQLPQISMZEI-UHFFFAOYSA-N 1 1 326.396 2.446 20 10 EECDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839617960 1315220759 /nfs/dbraw/zinc/22/07/59/1315220759.db2.gz UKMIECZSVMZXDF-ZWKOTPCHSA-N 1 1 345.487 2.258 20 10 EECDMO C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)[N@@H+]1CCO ZINC000840132732 1315304172 /nfs/dbraw/zinc/30/41/72/1315304172.db2.gz DJMTYUVQVXAKLW-OKILXGFUSA-N 1 1 336.476 2.282 20 10 EECDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)N1CCO ZINC000840132732 1315304178 /nfs/dbraw/zinc/30/41/78/1315304178.db2.gz DJMTYUVQVXAKLW-OKILXGFUSA-N 1 1 336.476 2.282 20 10 EECDMO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)N1CCO ZINC000840132732 1315304184 /nfs/dbraw/zinc/30/41/84/1315304184.db2.gz DJMTYUVQVXAKLW-OKILXGFUSA-N 1 1 336.476 2.282 20 10 EECDMO COc1cc(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c(O)cc1C ZINC000840178219 1315317694 /nfs/dbraw/zinc/31/76/94/1315317694.db2.gz NAOFDWLLQQRUTL-HXUWFJFHSA-N 1 1 340.423 2.338 20 10 EECDMO [NH3+]C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC12CCOCC2 ZINC000843125360 1315849370 /nfs/dbraw/zinc/84/93/70/1315849370.db2.gz TXFQAPVKOOLOQB-NSHDSACASA-N 1 1 328.815 2.372 20 10 EECDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001249201305 1317021447 /nfs/dbraw/zinc/02/14/47/1317021447.db2.gz NKRBUSZQKOULFI-OAHLLOKOSA-N 1 1 326.396 2.492 20 10 EECDMO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c(O)c1 ZINC001249201496 1317022194 /nfs/dbraw/zinc/02/21/94/1317022194.db2.gz VHBPUUGYDZAHIR-QGZVFWFLSA-N 1 1 332.444 2.168 20 10 EECDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c(O)c1 ZINC001249201496 1317022203 /nfs/dbraw/zinc/02/22/03/1317022203.db2.gz VHBPUUGYDZAHIR-QGZVFWFLSA-N 1 1 332.444 2.168 20 10 EECDMO CN1CCN(CC[N@H+](C)Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249252639 1317035583 /nfs/dbraw/zinc/03/55/83/1317035583.db2.gz OHQUBKJHEOZCCL-UHFFFAOYSA-N 1 1 345.487 2.256 20 10 EECDMO CN1CCN(CC[N@@H+](C)Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249252639 1317035592 /nfs/dbraw/zinc/03/55/92/1317035592.db2.gz OHQUBKJHEOZCCL-UHFFFAOYSA-N 1 1 345.487 2.256 20 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/nfs/dbraw/zinc/98/10/63/1321981063.db2.gz PQZVJTLBDGKIPV-LJQANCHMSA-N 1 1 339.395 2.122 20 10 EECDMO Oc1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1O ZINC001203878882 1321981186 /nfs/dbraw/zinc/98/11/86/1321981186.db2.gz XCRUQEWDXMVZJA-SNRMKQJTSA-N 1 1 342.395 2.304 20 10 EECDMO Oc1ccc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1O ZINC001203878882 1321981193 /nfs/dbraw/zinc/98/11/93/1321981193.db2.gz XCRUQEWDXMVZJA-SNRMKQJTSA-N 1 1 342.395 2.304 20 10 EECDMO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204273237 1322098152 /nfs/dbraw/zinc/09/81/52/1322098152.db2.gz LFCIJDGNBYDBRX-YLJYHZDGSA-N 1 1 346.471 2.278 20 10 EECDMO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204273237 1322098158 /nfs/dbraw/zinc/09/81/58/1322098158.db2.gz LFCIJDGNBYDBRX-YLJYHZDGSA-N 1 1 346.471 2.278 20 10 EECDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@H]1c1ccccc1 ZINC001204281770 1322102812 /nfs/dbraw/zinc/10/28/12/1322102812.db2.gz IQXFQCNQGIVUMU-DLBZAZTESA-N 1 1 327.380 2.486 20 10 EECDMO COc1cc(C[N@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)cc(O)c1O ZINC001204341903 1322117775 /nfs/dbraw/zinc/11/77/75/1322117775.db2.gz HJSJEZGQSKGMRV-LJQANCHMSA-N 1 1 348.443 2.473 20 10 EECDMO COc1ccc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001262374568 1322289684 /nfs/dbraw/zinc/28/96/84/1322289684.db2.gz JARVBVGGTKQKTK-UHFFFAOYSA-N 1 1 326.444 2.132 20 10 EECDMO CN1CCO[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)C1 ZINC001276578339 1324618558 /nfs/dbraw/zinc/61/85/58/1324618558.db2.gz JXEMGUOEIOQDEA-HXUWFJFHSA-N 1 1 329.488 2.366 20 10 EECDMO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308249548 1331578139 /nfs/dbraw/zinc/57/81/39/1331578139.db2.gz GKVNNTSPSWLUBB-AWEZNQCLSA-N 1 1 345.409 2.495 20 10 EECDMO COc1cccc(O)c1C[N@H+]1CCCN(Cc2cc(C)on2)CC1 ZINC001320494843 1332897219 /nfs/dbraw/zinc/89/72/19/1332897219.db2.gz ZZDZOYBSPMWGMZ-UHFFFAOYSA-N 1 1 331.416 2.405 20 10 EECDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320895078 1332973796 /nfs/dbraw/zinc/97/37/96/1332973796.db2.gz WJUNGKXRVHHFOX-ICSRJNTNSA-N 1 1 348.487 2.133 20 10 EECDMO CCc1cc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)nn1C ZINC001325505359 1333899055 /nfs/dbraw/zinc/89/90/55/1333899055.db2.gz YESXDQUVPOCMNO-UHFFFAOYSA-N 1 1 331.439 2.486 20 10 EECDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327394730 1334284237 /nfs/dbraw/zinc/28/42/37/1334284237.db2.gz NZPKHNVIEGEBMI-DOTOQJQBSA-N 1 1 335.467 2.170 20 10 EECDMO C[C@@H]1CC[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](n2cncn2)C1 ZINC001327839629 1334353181 /nfs/dbraw/zinc/35/31/81/1334353181.db2.gz JOVQQEAAKUXBLH-FCLVOEFKSA-N 1 1 342.491 2.363 20 10 EECDMO CCc1cccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000848902910 1338801122 /nfs/dbraw/zinc/80/11/22/1338801122.db2.gz JNSWVHZFBLVZCO-OAHLLOKOSA-N 1 1 344.415 2.170 20 10 EECDMO CC(C)N1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1=O ZINC001138340990 1372384882 /nfs/dbraw/zinc/38/48/82/1372384882.db2.gz CJAWMELLFVJHSV-UHFFFAOYSA-N 1 1 343.471 2.144 20 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/nfs/dbraw/zinc/76/41/18/782764118.db2.gz LCHMAGOEBOZECC-MWLCHTKSSA-N 1 1 347.196 2.342 20 10 EECDMO COC(=O)c1c(C[N@H+]2CCC[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000893864076 780251916 /nfs/dbraw/zinc/25/19/16/780251916.db2.gz RTAFTHGXKNMOIU-GFCCVEGCSA-N 1 1 334.391 2.308 20 10 EECDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893969795 780351983 /nfs/dbraw/zinc/35/19/83/780351983.db2.gz QAXAYPCCWASEQK-RYUDHWBXSA-N 1 1 342.386 2.034 20 10 EECDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893969795 780351989 /nfs/dbraw/zinc/35/19/89/780351989.db2.gz QAXAYPCCWASEQK-RYUDHWBXSA-N 1 1 342.386 2.034 20 10 EECDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893969795 780351996 /nfs/dbraw/zinc/35/19/96/780351996.db2.gz QAXAYPCCWASEQK-RYUDHWBXSA-N 1 1 342.386 2.034 20 10 EECDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000809695958 783283865 /nfs/dbraw/zinc/28/38/65/783283865.db2.gz BCOPQRLNEDKQIB-CQSZACIVSA-N 1 1 333.306 2.328 20 10 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/nfs/dbraw/zinc/04/91/02/785049102.db2.gz CLAWXIOCVBDGFN-PMACEKPBSA-N 1 1 346.519 2.067 20 10 EECDMO COc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000824861687 788325291 /nfs/dbraw/zinc/32/52/91/788325291.db2.gz BTPZSEGZCOGLHZ-CYBMUJFWSA-N 1 1 334.416 2.335 20 10 EECDMO COc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000824861687 788325297 /nfs/dbraw/zinc/32/52/97/788325297.db2.gz BTPZSEGZCOGLHZ-CYBMUJFWSA-N 1 1 334.416 2.335 20 10 EECDMO CCOc1ccc(O)c(C[NH2+]C(C)(C)CN2CCN(CC)CC2)c1 ZINC000825275311 788564767 /nfs/dbraw/zinc/56/47/67/788564767.db2.gz GRODZCILDBIILF-UHFFFAOYSA-N 1 1 335.492 2.297 20 10 EECDMO Oc1cc(O)c(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001144509051 789909323 /nfs/dbraw/zinc/90/93/23/789909323.db2.gz JJFUDTFJMDCJLF-HZPDHXFCSA-N 1 1 340.423 2.367 20 10 EECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c(O)cc(O)cc1O ZINC001144509421 789910394 /nfs/dbraw/zinc/91/03/94/789910394.db2.gz WDVDIIBDLRGHNV-UHFFFAOYSA-N 1 1 344.411 2.272 20 10 EECDMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509463 789910475 /nfs/dbraw/zinc/91/04/75/789910475.db2.gz BLYGTTVOPXWWLC-SCLBCKFNSA-N 1 1 337.416 2.211 20 10 EECDMO Cc1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)c(O)c1O ZINC000846173620 790071150 /nfs/dbraw/zinc/07/11/50/790071150.db2.gz SAZWZYCIOXUWHO-UHFFFAOYSA-N 1 1 343.427 2.395 20 10 EECDMO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cnc(C)[nH]3)C2)cc1C ZINC000998558286 792994825 /nfs/dbraw/zinc/99/48/25/792994825.db2.gz WHWSJIMNCZJRMH-UHFFFAOYSA-N 1 1 342.443 2.428 20 10 EECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172022899 796848491 /nfs/dbraw/zinc/84/84/91/796848491.db2.gz QUWGSSPTMZNRKX-IBGZPJMESA-N 1 1 343.471 2.108 20 10 EECDMO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCN3C)C2)cc1C ZINC001086047379 802011681 /nfs/dbraw/zinc/01/16/81/802011681.db2.gz OKLREMDWATWNSW-FGTMMUONSA-N 1 1 345.487 2.082 20 10 EECDMO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cccc(C(F)(F)F)c1O ZINC000788798818 807689097 /nfs/dbraw/zinc/68/90/97/807689097.db2.gz CDTPPGPHHABHBN-ZETCQYMHSA-N 1 1 326.265 2.443 20 10 EECDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C[C@@H](C)O1 ZINC000092506873 237037430 /nfs/dbraw/zinc/03/74/30/237037430.db2.gz OINKDMGFPSSJDF-FMKPAKJESA-N 1 1 348.443 2.195 20 10 EECDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](OCCO)C3)cc2)CC1 ZINC000297420777 465255410 /nfs/dbraw/zinc/25/54/10/465255410.db2.gz HCVKFKJHDSDBGI-HXUWFJFHSA-N 1 1 348.487 2.275 20 10 EECDMO COCCC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000120141372 462966237 /nfs/dbraw/zinc/96/62/37/462966237.db2.gz RJVRFANSGXTBNT-MRXNPFEDSA-N 1 1 341.473 2.035 20 10 EECDMO CCOc1cccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)c1O ZINC000122363491 463258770 /nfs/dbraw/zinc/25/87/70/463258770.db2.gz LUJYAJVWJYAVML-UHFFFAOYSA-N 1 1 331.416 2.405 20 10 EECDMO CCCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(O)c1 ZINC000161017907 463391496 /nfs/dbraw/zinc/39/14/96/463391496.db2.gz LCAZXOZUOARMGM-SFHVURJKSA-N 1 1 348.443 2.004 20 10 EECDMO COCC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)C(N)=O ZINC000279629369 464117787 /nfs/dbraw/zinc/11/77/87/464117787.db2.gz KSZSMPVLWLMZAY-LLVKDONJSA-N 1 1 347.381 2.094 20 10 EECDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)C(N)=O ZINC000279629369 464117792 /nfs/dbraw/zinc/11/77/92/464117792.db2.gz KSZSMPVLWLMZAY-LLVKDONJSA-N 1 1 347.381 2.094 20 10 EECDMO Oc1ccccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000179563544 464158190 /nfs/dbraw/zinc/15/81/90/464158190.db2.gz PEDAUEDYHFUBQJ-UHFFFAOYSA-N 1 1 332.366 2.479 20 10 EECDMO CCN(CC)c1ccc(CNC(=O)CC[NH+]2CCN(CC)CC2)cc1 ZINC000263736770 464172217 /nfs/dbraw/zinc/17/22/17/464172217.db2.gz ZMHGEKUABHHEPO-UHFFFAOYSA-N 1 1 346.519 2.177 20 10 EECDMO CN(C)c1ccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1F ZINC000272457361 464618582 /nfs/dbraw/zinc/61/85/82/464618582.db2.gz NRKFYPUGKJHPFD-PBHICJAKSA-N 1 1 334.439 2.127 20 10 EECDMO COc1c(O)c(C[N@@H+](C)[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000295078477 464698596 /nfs/dbraw/zinc/69/85/96/464698596.db2.gz QAHOHQSSTJRYSK-HNNXBMFYSA-N 1 1 332.356 2.474 20 10 EECDMO COc1ccc(O)c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000273484327 464718648 /nfs/dbraw/zinc/71/86/48/464718648.db2.gz MWRFFBAVZIEIBF-SOVGHPHASA-N 1 1 334.460 2.429 20 10 EECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000273611027 464722752 /nfs/dbraw/zinc/72/27/52/464722752.db2.gz VVMIMJOJRGVMDT-CZUORRHYSA-N 1 1 329.396 2.433 20 10 EECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000248338875 464743334 /nfs/dbraw/zinc/74/33/34/464743334.db2.gz HZKKYHHOOIFSMI-CABCVRRESA-N 1 1 349.450 2.009 20 10 EECDMO CC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1ccc(F)cc1O ZINC000286075781 464794870 /nfs/dbraw/zinc/79/48/70/464794870.db2.gz MCGLOKOWWJRTIJ-CQSZACIVSA-N 1 1 332.441 2.244 20 10 EECDMO COc1cc(N2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1OC ZINC000183706925 464901363 /nfs/dbraw/zinc/90/13/63/464901363.db2.gz VOGKYVWMSIXLJY-UHFFFAOYSA-N 1 1 343.427 2.430 20 10 EECDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276447642 464936259 /nfs/dbraw/zinc/93/62/59/464936259.db2.gz BISCZGRIMYBSRR-DLBZAZTESA-N 1 1 327.380 2.167 20 10 EECDMO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276447642 464936267 /nfs/dbraw/zinc/93/62/67/464936267.db2.gz BISCZGRIMYBSRR-DLBZAZTESA-N 1 1 327.380 2.167 20 10 EECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000184698875 465020042 /nfs/dbraw/zinc/02/00/42/465020042.db2.gz CKLQKMWSDVLVII-CYBMUJFWSA-N 1 1 340.851 2.208 20 10 EECDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000360791748 465611879 /nfs/dbraw/zinc/61/18/79/465611879.db2.gz HZEHZGZGJWQNLD-UHFFFAOYSA-N 1 1 330.384 2.342 20 10 EECDMO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363754862 466597478 /nfs/dbraw/zinc/59/74/78/466597478.db2.gz VCYWHQMNMBOOGA-CQSZACIVSA-N 1 1 344.864 2.046 20 10 EECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1C1CCC1)cc2=O ZINC000102927642 528318109 /nfs/dbraw/zinc/31/81/09/528318109.db2.gz RBDPZWOFQXUEJB-HNNXBMFYSA-N 1 1 344.415 2.376 20 10 EECDMO Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000727466660 576428692 /nfs/dbraw/zinc/42/86/92/576428692.db2.gz AONAVJFRLPAKLU-IAGOWNOFSA-N 1 1 333.451 2.379 20 10 EECDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000732277449 577164159 /nfs/dbraw/zinc/16/41/59/577164159.db2.gz MLRWIAQNLFXRFI-QAPCUYQASA-N 1 1 331.460 2.185 20 10 EECDMO COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773321836 577333155 /nfs/dbraw/zinc/33/31/55/577333155.db2.gz MQCGUVZIIUBAIF-HNNXBMFYSA-N 1 1 336.480 2.081 20 10 EECDMO Oc1cc2c(cc1C[N@H+]1CC[C@](O)(c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000776767582 577467530 /nfs/dbraw/zinc/46/75/30/577467530.db2.gz DFMDWHLXDUVNOT-PKOBYXMFSA-N 1 1 345.370 2.051 20 10 EECDMO Oc1cc2c(cc1CN1CCC[N@H+](C3CCCC3)CC1)[C@@H](O)CO2 ZINC000768445229 577555838 /nfs/dbraw/zinc/55/58/38/577555838.db2.gz GNYJMUQWGJSRMC-SFHVURJKSA-N 1 1 332.444 2.268 20 10 EECDMO C[C@@H]1CCN(Cc2cccc(Br)c2O)CC[S@@]1=O ZINC000763493858 577722012 /nfs/dbraw/zinc/72/20/12/577722012.db2.gz SFFORFITQOLGTA-MGNBDDOMSA-N 1 1 332.263 2.498 20 10 EECDMO CCC(C)(C)[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754070150 577799657 /nfs/dbraw/zinc/79/96/57/577799657.db2.gz WTPCLJASSSCQIZ-SFHVURJKSA-N 1 1 349.519 2.299 20 10 EECDMO COCc1nc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000742367984 577871947 /nfs/dbraw/zinc/87/19/47/577871947.db2.gz OTFSJZMXRAATRH-UHFFFAOYSA-N 1 1 333.457 2.416 20 10 EECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@H]3C)CC2)cc1 ZINC000741790610 578124327 /nfs/dbraw/zinc/12/43/27/578124327.db2.gz IYCSKHWKQDLUAB-DLBZAZTESA-N 1 1 345.487 2.464 20 10 EECDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744265 578166216 /nfs/dbraw/zinc/16/62/16/578166216.db2.gz QBLDBEWXLJEKFE-CQSZACIVSA-N 1 1 329.366 2.348 20 10 EECDMO Cc1cccc2c(NCc3ccccc3O)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826305473 608376154 /nfs/dbraw/zinc/37/61/54/608376154.db2.gz XVVCAQFIYFOPFR-UHFFFAOYSA-N 1 1 332.367 2.463 20 10 EECDMO COc1cccc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000826216437 608525345 /nfs/dbraw/zinc/52/53/45/608525345.db2.gz YNEKLWPBQMOIKR-UHFFFAOYSA-N 1 1 325.372 2.213 20 10 EECDMO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1F ZINC000892485773 680089463 /nfs/dbraw/zinc/08/94/63/680089463.db2.gz NJUKKASBZCXXCP-SJORKVTESA-N 1 1 334.439 2.270 20 10 EECDMO COc1cc(C)cc(CNc2c[nH+]ccc2N2CCN(C)CC2)c1O ZINC000894366021 682647773 /nfs/dbraw/zinc/64/77/73/682647773.db2.gz JWXHQGGWCDTULB-UHFFFAOYSA-N 1 1 342.443 2.468 20 10 EECDMO COC(=O)[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)CC(C)C ZINC000894791182 683089761 /nfs/dbraw/zinc/08/97/61/683089761.db2.gz PVZUUPKNBMAZGZ-GOSISDBHSA-N 1 1 347.503 2.363 20 10 EECDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000895395186 684581289 /nfs/dbraw/zinc/58/12/89/684581289.db2.gz XZIRTGVLAHZLAW-RYQLBKOJSA-N 1 1 344.503 2.195 20 10 EECDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)C[C@@H]2C1 ZINC000895576626 684647113 /nfs/dbraw/zinc/64/71/13/684647113.db2.gz OCJVNTCBGJKDCY-BETUJISGSA-N 1 1 339.233 2.065 20 10 EECDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Br)c3O)C[C@@H]2C1 ZINC000895576626 684647114 /nfs/dbraw/zinc/64/71/14/684647114.db2.gz OCJVNTCBGJKDCY-BETUJISGSA-N 1 1 339.233 2.065 20 10 EECDMO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@H]2C)cc1C ZINC000986050020 688134030 /nfs/dbraw/zinc/13/40/30/688134030.db2.gz YFLJLNFJJLSYAL-XJKSGUPXSA-N 1 1 342.443 2.428 20 10 EECDMO O=S(=O)(Nc1ccc2c(c1)CC[NH2+]C2)c1cccc2nsnc21 ZINC000149101438 1187395112 /nfs/dbraw/zinc/39/51/12/1187395112.db2.gz KRRCEQXBRBQVOL-UHFFFAOYSA-N 1 1 346.437 2.138 20 10 EECDMO C[N@@H+](Cc1cc(Br)ccc1O)C1CCS(=O)(=O)CC1 ZINC000093476355 1187585112 /nfs/dbraw/zinc/58/51/12/1187585112.db2.gz LHTFVLIZYLIJIJ-UHFFFAOYSA-N 1 1 348.262 2.164 20 10 EECDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC001272916719 1193602556 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CN1CCN(c2ccc(C[NH2+]C[C@@H](O)c3cccc(F)c3)cc2)CC1 ZINC000905425904 1189722811 /nfs/dbraw/zinc/72/28/11/1189722811.db2.gz CRJXTUZRHSEKTO-HXUWFJFHSA-N 1 1 343.446 2.401 20 10 EECDMO CC[C@H](C)C[NH+]1CC2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001272422848 1190811006 /nfs/dbraw/zinc/81/10/06/1190811006.db2.gz VHGAAHGUYFXIMV-INIZCTEOSA-N 1 1 345.487 2.212 20 10 EECDMO CCOCCN1CC[C@@]2(CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)C1=O ZINC001273049334 1194352491 /nfs/dbraw/zinc/35/24/91/1194352491.db2.gz UBGFVZKPNOPTSX-HXUWFJFHSA-N 1 1 346.471 2.470 20 10 EECDMO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c(C)n1-c1ccccc1C ZINC000863829105 1197891606 /nfs/dbraw/zinc/89/16/06/1197891606.db2.gz BXOXKBNZQKGKOF-KRWDZBQOSA-N 1 1 341.455 2.199 20 10 EECDMO CN1CC[C@]2(CCC[N@H+]2Cc2c(O)cccc2Br)C1=O ZINC001273297524 1197980803 /nfs/dbraw/zinc/98/08/03/1197980803.db2.gz WTSTYSPPJNRFAU-OAHLLOKOSA-N 1 1 339.233 2.351 20 10 EECDMO CCc1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)[nH]1 ZINC000873097938 1198499443 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O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000127260179 1200600833 /nfs/dbraw/zinc/60/08/33/1200600833.db2.gz XPDHRVNQGLNIFW-SFHVURJKSA-N 1 1 340.471 2.346 20 10 EECDMO COc1c(O)c(C[NH2+]Cc2ccc3cnn(C)c3c2)ccc1[N+](=O)[O-] ZINC000812770941 1200903053 /nfs/dbraw/zinc/90/30/53/1200903053.db2.gz XMMAQQKUJRAJGD-UHFFFAOYSA-N 1 1 342.355 2.486 20 10 EECDMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121045167 1201513271 /nfs/dbraw/zinc/51/32/71/1201513271.db2.gz PCQGQFDUDWKSFA-MSOLQXFVSA-N 1 1 337.460 2.407 20 10 EECDMO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Br)c(F)cc1O ZINC000866498568 1201533234 /nfs/dbraw/zinc/53/32/34/1201533234.db2.gz ZTTXFMXJCJTMNX-NZXMKCKXSA-N 1 1 334.185 2.094 20 10 EECDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)cc(OC)n1 ZINC001015105930 1224752683 /nfs/dbraw/zinc/75/26/83/1224752683.db2.gz ZQZMHYFUXGAEQB-MRXNPFEDSA-N 1 1 345.443 2.403 20 10 EECDMO c1n[nH]cc1CN1CCC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275960165 1205603749 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COc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c1 ZINC001277462730 1303385487 /nfs/dbraw/zinc/38/54/87/1303385487.db2.gz WLJAHYBREMQZTQ-CCWDJLKJSA-N 1 1 342.439 2.257 20 10 EECDMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231635134 1303871759 /nfs/dbraw/zinc/87/17/59/1303871759.db2.gz QDZNQFLWVNSYHX-MSOLQXFVSA-N 1 1 337.416 2.124 20 10 EECDMO O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2)N1CC=CC1 ZINC001277660074 1304106767 /nfs/dbraw/zinc/10/67/67/1304106767.db2.gz OSBLXRNSBGAFGA-FXAWDEMLSA-N 1 1 342.439 2.488 20 10 EECDMO COC(=O)c1c(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c2ccccc2n1C ZINC001232404174 1304108804 /nfs/dbraw/zinc/10/88/04/1304108804.db2.gz NWQKWVILVVJOLG-CQSZACIVSA-N 1 1 343.427 2.065 20 10 EECDMO COC(=O)c1c(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c2ccccc2n1C ZINC001232404174 1304108806 /nfs/dbraw/zinc/10/88/06/1304108806.db2.gz NWQKWVILVVJOLG-CQSZACIVSA-N 1 1 343.427 2.065 20 10 EECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c(O)c1 ZINC001232841566 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CCOc1cccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000093392294 237046615 /nfs/dbraw/zinc/04/66/15/237046615.db2.gz IHRVILCBTYNVST-GFCCVEGCSA-N 1 1 327.446 2.188 20 10 EECDMO CCOc1cccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000093392294 237046626 /nfs/dbraw/zinc/04/66/26/237046626.db2.gz IHRVILCBTYNVST-GFCCVEGCSA-N 1 1 327.446 2.188 20 10 EECDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297192439 465248247 /nfs/dbraw/zinc/24/82/47/465248247.db2.gz QSGNEDWYMNIKQB-IBGZPJMESA-N 1 1 345.487 2.402 20 10 EECDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000093103119 463008183 /nfs/dbraw/zinc/00/81/83/463008183.db2.gz BISCZGRIMYBSRR-SJORKVTESA-N 1 1 327.380 2.167 20 10 EECDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000093103119 463008192 /nfs/dbraw/zinc/00/81/92/463008192.db2.gz BISCZGRIMYBSRR-SJORKVTESA-N 1 1 327.380 2.167 20 10 EECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccon1 ZINC000158060424 463199980 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CC(C)(C)n1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000850406860 1277216841 /nfs/dbraw/zinc/21/68/41/1277216841.db2.gz WXDGJBLEPNEDAZ-UHFFFAOYSA-N 1 1 343.475 2.284 20 10 EECDMO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649715 1279299484 /nfs/dbraw/zinc/29/94/84/1279299484.db2.gz CJHUWIXDCXWGBU-LBPRGKRZSA-N 1 1 342.237 2.048 20 10 EECDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649715 1279299494 /nfs/dbraw/zinc/29/94/94/1279299494.db2.gz CJHUWIXDCXWGBU-LBPRGKRZSA-N 1 1 342.237 2.048 20 10 EECDMO COc1cc(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C2)c1O ZINC001204339741 1322116610 /nfs/dbraw/zinc/11/66/10/1322116610.db2.gz RHURKATULBBJJW-GFCCVEGCSA-N 1 1 329.238 2.299 20 10 EECDMO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C2)c1O ZINC001204339741 1322116624 /nfs/dbraw/zinc/11/66/24/1322116624.db2.gz RHURKATULBBJJW-GFCCVEGCSA-N 1 1 329.238 2.299 20 10 EECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C2)c1O ZINC001204339741 1322116635 /nfs/dbraw/zinc/11/66/35/1322116635.db2.gz 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COc1cc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c(O)cc1O ZINC001231635102 1303872269 /nfs/dbraw/zinc/87/22/69/1303872269.db2.gz VVFKCHLSOOHOIE-UHFFFAOYSA-N 1 1 343.427 2.209 20 10 EECDMO COc1cc(CN2CCC[N@H+](Cc3ccncc3)CC2)c(O)cc1O ZINC001231635102 1303872275 /nfs/dbraw/zinc/87/22/75/1303872275.db2.gz VVFKCHLSOOHOIE-UHFFFAOYSA-N 1 1 343.427 2.209 20 10 EECDMO COc1cc(CN2CCC[N@@H+](Cc3ccncc3)CC2)c(O)cc1O ZINC001231635102 1303872282 /nfs/dbraw/zinc/87/22/82/1303872282.db2.gz VVFKCHLSOOHOIE-UHFFFAOYSA-N 1 1 343.427 2.209 20 10 EECDMO COc1cc(C[N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c(O)cc1O ZINC001231636242 1303873796 /nfs/dbraw/zinc/87/37/96/1303873796.db2.gz LQMSTBJZIXLXGV-SFHVURJKSA-N 1 1 334.416 2.083 20 10 EECDMO COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC001231911390 1303943943 /nfs/dbraw/zinc/94/39/43/1303943943.db2.gz CXDOOLLAEPIIKN-UHFFFAOYSA-N 1 1 328.840 2.362 20 10 EECDMO COC(=O)c1c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c2ccccc2n1C ZINC001232403459 1304108812 /nfs/dbraw/zinc/10/88/12/1304108812.db2.gz 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1305118578 /nfs/dbraw/zinc/11/85/78/1305118578.db2.gz VFFQEYKXKWJYTB-FQEVSTJZSA-N 1 1 347.503 2.496 20 10 EECDMO Oc1cc(F)c(Br)cc1CN1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235218400 1305154087 /nfs/dbraw/zinc/15/40/87/1305154087.db2.gz GGPWSBDFKZXNSU-RNCFNFMXSA-N 1 1 329.213 2.478 20 10 EECDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(Cl)c1 ZINC001236806268 1305683065 /nfs/dbraw/zinc/68/30/65/1305683065.db2.gz SKRCKTUCQGZHBZ-LLVKDONJSA-N 1 1 341.839 2.290 20 10 EECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(Cl)c1 ZINC001236806268 1305683073 /nfs/dbraw/zinc/68/30/73/1305683073.db2.gz SKRCKTUCQGZHBZ-LLVKDONJSA-N 1 1 341.839 2.290 20 10 EECDMO O[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1F ZINC001236929749 1305731917 /nfs/dbraw/zinc/73/19/17/1305731917.db2.gz SYGZOPUWSWOEOP-JKSUJKDBSA-N 1 1 328.815 2.081 20 10 EECDMO O[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1F ZINC001236929749 1305731923 /nfs/dbraw/zinc/73/19/23/1305731923.db2.gz SYGZOPUWSWOEOP-JKSUJKDBSA-N 1 1 328.815 2.081 20 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C[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](Cc2ccccc2)C1 ZINC000844742852 789343110 /nfs/dbraw/zinc/34/31/10/789343110.db2.gz QGBJCKFXEFZSAX-KRWDZBQOSA-N 1 1 340.423 2.480 20 10 EECDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144508845 789909442 /nfs/dbraw/zinc/90/94/42/789909442.db2.gz AJKDIJIOTHXIDP-LLVKDONJSA-N 1 1 338.404 2.150 20 10 EECDMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509461 789910460 /nfs/dbraw/zinc/91/04/60/789910460.db2.gz BLYGTTVOPXWWLC-FZKQIMNGSA-N 1 1 337.416 2.211 20 10 EECDMO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC000998731248 793317015 /nfs/dbraw/zinc/31/70/15/793317015.db2.gz MNUVUCUTACSSOD-MSOLQXFVSA-N 1 1 345.487 2.178 20 10 EECDMO CN(C)c1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030903590 794728477 /nfs/dbraw/zinc/72/84/77/794728477.db2.gz UZMYOYWUXHJCCV-OAQYLSRUSA-N 1 1 339.483 2.261 20 10 EECDMO CN(C)c1ccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000030903590 794728481 /nfs/dbraw/zinc/72/84/81/794728481.db2.gz UZMYOYWUXHJCCV-OAQYLSRUSA-N 1 1 339.483 2.261 20 10 EECDMO CC(C)[N@@H+](CCC(=O)N1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000917075488 798059276 /nfs/dbraw/zinc/05/92/76/798059276.db2.gz WYNINQODCFRIDD-UHFFFAOYSA-N 1 1 333.476 2.212 20 10 EECDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994494222 798093328 /nfs/dbraw/zinc/09/33/28/798093328.db2.gz MUNPWACBJGUBSC-DOMZBBRYSA-N 1 1 347.419 2.078 20 10 EECDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000792184264 809643274 /nfs/dbraw/zinc/64/32/74/809643274.db2.gz FESDRHGZDOFJTR-GFCCVEGCSA-N 1 1 339.233 2.351 20 10 EECDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000792184264 809643279 /nfs/dbraw/zinc/64/32/79/809643279.db2.gz FESDRHGZDOFJTR-GFCCVEGCSA-N 1 1 339.233 2.351 20 10 EECDMO CSCC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)N(C)C ZINC000808438860 812637385 /nfs/dbraw/zinc/63/73/85/812637385.db2.gz PNHPYXBVVBSQDH-NSHDSACASA-N 1 1 334.844 2.484 20 10 EECDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000097600611 529709782 /nfs/dbraw/zinc/70/97/82/529709782.db2.gz CGNFQUFTEQVRGR-OALUTQOASA-N 1 1 347.503 2.336 20 10 EECDMO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000058126916 463541791 /nfs/dbraw/zinc/54/17/91/463541791.db2.gz UKDHDGMCDBRHFK-MRXNPFEDSA-N 1 1 331.460 2.218 20 10 EECDMO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1O ZINC000185140684 463761197 /nfs/dbraw/zinc/76/11/97/463761197.db2.gz IVMQMTCPOVPGPB-GUYCJALGSA-N 1 1 340.464 2.390 20 10 EECDMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000186327657 463978072 /nfs/dbraw/zinc/97/80/72/463978072.db2.gz VQEWDKUGAFINHT-UHFFFAOYSA-N 1 1 334.395 2.092 20 10 EECDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000290591320 464126051 /nfs/dbraw/zinc/12/60/51/464126051.db2.gz BGVZTAMHFCCSHV-MRXNPFEDSA-N 1 1 348.491 2.051 20 10 EECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000280955817 464280259 /nfs/dbraw/zinc/28/02/59/464280259.db2.gz HFXIWTDJELHLDS-RKFFSXRUSA-N 1 1 325.430 2.131 20 10 EECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]3CCC[C@@H]31)cc2=O ZINC000173561121 464284783 /nfs/dbraw/zinc/28/47/83/464284783.db2.gz RPTNZCDTPKDPMR-DOMZBBRYSA-N 1 1 344.415 2.376 20 10 EECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284757312 464325367 /nfs/dbraw/zinc/32/53/67/464325367.db2.gz LVEQTGABSQWLIF-OALUTQOASA-N 1 1 345.487 2.354 20 10 EECDMO Cc1cc(O)c(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1C ZINC000295113682 464710860 /nfs/dbraw/zinc/71/08/60/464710860.db2.gz MCHLTDHIQQCGOE-OAHLLOKOSA-N 1 1 338.448 2.326 20 10 EECDMO COC1CCN(c2ccc(C[N@@H+](CCO)C3CCOCC3)cc2)CC1 ZINC000295648115 464917244 /nfs/dbraw/zinc/91/72/44/464917244.db2.gz CTDGCVGBAKFDNK-UHFFFAOYSA-N 1 1 348.487 2.275 20 10 EECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1C(C)C)cc2=O ZINC000299251940 465665516 /nfs/dbraw/zinc/66/55/16/465665516.db2.gz ZMFDQKXTJOSZIT-CQSZACIVSA-N 1 1 332.404 2.232 20 10 EECDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1OC ZINC000369103072 466714048 /nfs/dbraw/zinc/71/40/48/466714048.db2.gz WNKWTOUJRGAOCM-FZKQIMNGSA-N 1 1 337.416 2.179 20 10 EECDMO C[C@H](O)C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000298144623 525746298 /nfs/dbraw/zinc/74/62/98/525746298.db2.gz OLFVPOJAMWOUGC-INIZCTEOSA-N 1 1 347.503 2.384 20 10 EECDMO CCOc1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000775190357 577432289 /nfs/dbraw/zinc/43/22/89/577432289.db2.gz AAZZDROBQCCORY-HNNXBMFYSA-N 1 1 327.446 2.190 20 10 EECDMO Oc1c(F)cc(Cl)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000775676180 577442490 /nfs/dbraw/zinc/44/24/90/577442490.db2.gz NVYVIFVXAZKPKZ-CABCVRRESA-N 1 1 328.815 2.216 20 10 EECDMO CCOc1cccc(C[N@@H+](CCC(=O)OC)C[C@@H]2CCCO2)c1O ZINC000769446469 577578071 /nfs/dbraw/zinc/57/80/71/577578071.db2.gz QMQDZVULXBJNBT-HNNXBMFYSA-N 1 1 337.416 2.335 20 10 EECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCSC1 ZINC000760886185 577671415 /nfs/dbraw/zinc/67/14/15/577671415.db2.gz MHHOXCZBTZYQGA-QGZVFWFLSA-N 1 1 333.501 2.340 20 10 EECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000756394915 577843355 /nfs/dbraw/zinc/84/33/55/577843355.db2.gz CPXRYONVWPKJGZ-UKRRQHHQSA-N 1 1 345.395 2.269 20 10 EECDMO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756857837 577851516 /nfs/dbraw/zinc/85/15/16/577851516.db2.gz WUYMBTSAXKDLPG-ABAIWWIYSA-N 1 1 344.402 2.498 20 10 EECDMO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000746978419 577937323 /nfs/dbraw/zinc/93/73/23/577937323.db2.gz NPIHMVQOXUUVKG-CABCVRRESA-N 1 1 334.439 2.318 20 10 EECDMO CCCC[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051180072 676652181 /nfs/dbraw/zinc/65/21/81/676652181.db2.gz GNWBMURFGFZZKW-UHFFFAOYSA-N 1 1 337.439 2.010 20 10 EECDMO COc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c(O)c1OC ZINC000892239370 678294418 /nfs/dbraw/zinc/29/44/18/678294418.db2.gz KFOPEGVIHUTWHG-SOUVJXGZSA-N 1 1 337.416 2.178 20 10 EECDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)cc1C ZINC001020066838 683539811 /nfs/dbraw/zinc/53/98/11/683539811.db2.gz ZKIJPDAVWUYYLR-WKILWMFISA-N 1 1 342.443 2.015 20 10 EECDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC4CC4)C[C@H]32)cc1 ZINC000979163204 694241528 /nfs/dbraw/zinc/24/15/28/694241528.db2.gz WPYVANVINLOAQD-PHZGNYQRSA-N 1 1 341.415 2.167 20 10 EECDMO CC(C)n1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898450331 693319973 /nfs/dbraw/zinc/31/99/73/693319973.db2.gz QFUXHLSEZUPDHK-GOSISDBHSA-N 1 1 330.480 2.318 20 10 EECDMO O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001270578859 1185183323 /nfs/dbraw/zinc/18/33/23/1185183323.db2.gz BFMKOGIFXYYLLK-IYBDPMFKSA-N 1 1 330.428 2.258 20 10 EECDMO COc1cc(/C=C/C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc(O)c1O ZINC001272907456 1193599205 /nfs/dbraw/zinc/59/92/05/1193599205.db2.gz GQYCUGHGCRTYRS-VZSQWMKGSA-N 1 1 346.427 2.064 20 10 EECDMO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623278 1190936471 /nfs/dbraw/zinc/93/64/71/1190936471.db2.gz YUHKTZDQQKCJRP-AUUYWEPGSA-N 1 1 330.428 2.245 20 10 EECDMO CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1=O ZINC001272988787 1194297727 /nfs/dbraw/zinc/29/77/27/1194297727.db2.gz XCEPPXDZUWQJEP-FQEVSTJZSA-N 1 1 341.455 2.258 20 10 EECDMO O=C1CO[C@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)CN1C1CCCC1 ZINC001273265991 1197888626 /nfs/dbraw/zinc/88/86/26/1197888626.db2.gz PIHNXDSJKDJUBH-IBGZPJMESA-N 1 1 348.418 2.277 20 10 EECDMO O=C1CO[C@]2(CC[N@H+](Cc3c(O)cccc3F)C2)CN1C1CCCC1 ZINC001273265991 1197888641 /nfs/dbraw/zinc/88/86/41/1197888641.db2.gz PIHNXDSJKDJUBH-IBGZPJMESA-N 1 1 348.418 2.277 20 10 EECDMO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877380835 1199919011 /nfs/dbraw/zinc/91/90/11/1199919011.db2.gz VFNDDHUQXZQDJO-GOSISDBHSA-N 1 1 332.444 2.175 20 10 EECDMO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877380835 1199919013 /nfs/dbraw/zinc/91/90/13/1199919013.db2.gz VFNDDHUQXZQDJO-GOSISDBHSA-N 1 1 332.444 2.175 20 10 EECDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877424893 1199927843 /nfs/dbraw/zinc/92/78/43/1199927843.db2.gz RYKIGOSUSBTRJU-OAHLLOKOSA-N 1 1 347.503 2.383 20 10 EECDMO CCN1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)C1=O ZINC000877435388 1199930938 /nfs/dbraw/zinc/93/09/38/1199930938.db2.gz DNEINNKMPHKMMM-UHFFFAOYSA-N 1 1 345.487 2.090 20 10 EECDMO CCN1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)C1=O ZINC000877435388 1199930941 /nfs/dbraw/zinc/93/09/41/1199930941.db2.gz DNEINNKMPHKMMM-UHFFFAOYSA-N 1 1 345.487 2.090 20 10 EECDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000882885454 1201968443 /nfs/dbraw/zinc/96/84/43/1201968443.db2.gz YQLIADLFAMJIQY-UHFFFAOYSA-N 1 1 335.354 2.192 20 10 EECDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1COCC12OCCO2 ZINC000883144698 1202020604 /nfs/dbraw/zinc/02/06/04/1202020604.db2.gz XITFJQMONCMVMF-AWEZNQCLSA-N 1 1 343.370 2.176 20 10 EECDMO COCCOC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCOCC1 ZINC000886615338 1202534232 /nfs/dbraw/zinc/53/42/32/1202534232.db2.gz DNVCRMAUCSRDOJ-ZDUSSCGKSA-N 1 1 327.396 2.394 20 10 EECDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C2)cc(OC)n1 ZINC001015102762 1224749159 /nfs/dbraw/zinc/74/91/59/1224749159.db2.gz KUEJYRYAEVRXPB-AWEZNQCLSA-N 1 1 335.448 2.339 20 10 EECDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc(OC)n1 ZINC001015102591 1224749165 /nfs/dbraw/zinc/74/91/65/1224749165.db2.gz JUKBXPVHZURLJN-HNNXBMFYSA-N 1 1 333.432 2.093 20 10 EECDMO CCc1ccc(C[N@H+]2CC[C@@]3(CCN([C@H](C)C(C)=O)C3=O)C2)c(O)c1 ZINC001274652967 1205117128 /nfs/dbraw/zinc/11/71/28/1205117128.db2.gz FFBQGRMCRIAKHD-JLTOFOAXSA-N 1 1 344.455 2.357 20 10 EECDMO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001274836532 1205180296 /nfs/dbraw/zinc/18/02/96/1205180296.db2.gz IZERUOXAGOPMAT-OCCSQVGLSA-N 1 1 348.443 2.320 20 10 EECDMO COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1Cl ZINC001275217031 1205283342 /nfs/dbraw/zinc/28/33/42/1205283342.db2.gz FLGMCPURGIBECA-HOTGVXAUSA-N 1 1 340.851 2.315 20 10 EECDMO CC(C)NC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC001275267841 1205294548 /nfs/dbraw/zinc/29/45/48/1205294548.db2.gz YPJSGLURGZESTD-LJQANCHMSA-N 1 1 347.459 2.177 20 10 EECDMO Cc1noc(C)c1NC(=O)N1CCC12C[NH+](Cc1ccccc1O)C2 ZINC001275267676 1205294659 /nfs/dbraw/zinc/29/46/59/1205294659.db2.gz VLWMCYUJQPIWEN-UHFFFAOYSA-N 1 1 342.399 2.489 20 10 EECDMO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001275952363 1205600282 /nfs/dbraw/zinc/60/02/82/1205600282.db2.gz DVLYXTRNGBAXAW-ZBFHGGJFSA-N 1 1 342.443 2.021 20 10 EECDMO COCCOCN1CC[C@H]2C[N@@H+](Cc3cccc(C)c3O)C[C@H]2CC1 ZINC001276079594 1205763306 /nfs/dbraw/zinc/76/33/06/1205763306.db2.gz AZVAGXTWUCUHMJ-HDICACEKSA-N 1 1 348.487 2.465 20 10 EECDMO COCCOCN1CC[C@H]2C[N@H+](Cc3cccc(C)c3O)C[C@H]2CC1 ZINC001276079594 1205763308 /nfs/dbraw/zinc/76/33/08/1205763308.db2.gz AZVAGXTWUCUHMJ-HDICACEKSA-N 1 1 348.487 2.465 20 10 EECDMO Cc1c(O)ccc(C[N@@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c1O ZINC001276118078 1205782337 /nfs/dbraw/zinc/78/23/37/1205782337.db2.gz MRZOIJHNCGATAR-UHFFFAOYSA-N 1 1 347.459 2.422 20 10 EECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000248371304 1214753322 /nfs/dbraw/zinc/75/33/22/1214753322.db2.gz YMVHUMSKOIUVGM-HOTGVXAUSA-N 1 1 331.460 2.074 20 10 EECDMO COc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000093534597 1214895813 /nfs/dbraw/zinc/89/58/13/1214895813.db2.gz SVRQMUHQEFGNIK-CYBMUJFWSA-N 1 1 344.371 2.390 20 10 EECDMO COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cc(C)cc1O ZINC001276365813 1217300699 /nfs/dbraw/zinc/30/06/99/1217300699.db2.gz VLZYGDVRFSGTJM-CALCHBBNSA-N 1 1 334.460 2.278 20 10 EECDMO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cn(C)nn1 ZINC000902754735 1238446407 /nfs/dbraw/zinc/44/64/07/1238446407.db2.gz HFQPSICHUFCHMZ-MGPQQGTHSA-N 1 1 347.438 2.419 20 10 EECDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3O)CC[C@@H]2N1 ZINC000827131801 1250239210 /nfs/dbraw/zinc/23/92/10/1250239210.db2.gz CXRNITVNYWPCJN-MFKMUULPSA-N 1 1 339.233 2.255 20 10 EECDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3O)CC[C@H]2N1 ZINC000827131800 1250240022 /nfs/dbraw/zinc/24/00/22/1250240022.db2.gz CXRNITVNYWPCJN-GXFFZTMASA-N 1 1 339.233 2.255 20 10 EECDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)ccc1[N+](=O)[O-] ZINC000826910941 1248120610 /nfs/dbraw/zinc/12/06/10/1248120610.db2.gz QCMBWZQPIBKJMV-WCBZVUCDSA-N 1 1 342.417 2.088 20 10 EECDMO CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001273769391 1285263963 /nfs/dbraw/zinc/26/39/63/1285263963.db2.gz IZUGODFMCMLVAP-HXUWFJFHSA-N 1 1 340.423 2.226 20 10 EECDMO CCC[N@H+]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000853858248 1292493037 /nfs/dbraw/zinc/49/30/37/1292493037.db2.gz MIPMPNRTXCSPEE-LBPRGKRZSA-N 1 1 328.507 2.409 20 10 EECDMO CN(C)c1cc[nH+]c(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955379 1292552308 /nfs/dbraw/zinc/55/23/08/1292552308.db2.gz MOWVXUFVJRIIHY-UHFFFAOYSA-N 1 1 327.432 2.116 20 10 EECDMO Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000858300993 1294075375 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2.217 20 10 EECDMO O=C(Nc1nnco1)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001277441934 1303032481 /nfs/dbraw/zinc/03/24/81/1303032481.db2.gz RSZKWQYQEDLHOF-RDTXWAMCSA-N 1 1 342.399 2.406 20 10 EECDMO COc1ccc(Br)c(CN2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC001231553549 1303842802 /nfs/dbraw/zinc/84/28/02/1303842802.db2.gz YJVNARLOAIBZQO-LLVKDONJSA-N 1 1 341.249 2.443 20 10 EECDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)c(O)cc2O)Cc2ccccc21 ZINC001231638752 1303875452 /nfs/dbraw/zinc/87/54/52/1303875452.db2.gz FXCMFVYRLCPGBD-HNNXBMFYSA-N 1 1 343.379 2.379 20 10 EECDMO COc1cc(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c(O)cc1O ZINC001231639936 1303876052 /nfs/dbraw/zinc/87/60/52/1303876052.db2.gz NGTTTXPFSVXYFM-UHFFFAOYSA-N 1 1 327.384 2.332 20 10 EECDMO COc1cc(C[N@H+]2CCc3cnc(C4CC4)nc3C2)c(O)cc1O ZINC001231639936 1303876060 /nfs/dbraw/zinc/87/60/60/1303876060.db2.gz NGTTTXPFSVXYFM-UHFFFAOYSA-N 1 1 327.384 2.332 20 10 EECDMO CCN(C(=O)C1=NO[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@H]12)C(C)C ZINC001277569161 1303923129 /nfs/dbraw/zinc/92/31/29/1303923129.db2.gz WLPBEGCPAOMCHE-DOTOQJQBSA-N 1 1 345.443 2.144 20 10 EECDMO Cc1cc(C)c(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c(O)c1 ZINC001231843875 1303928915 /nfs/dbraw/zinc/92/89/15/1303928915.db2.gz CFVONENVLKQMNJ-KRWDZBQOSA-N 1 1 332.444 2.222 20 10 EECDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)c(O)c1 ZINC001231848366 1303929797 /nfs/dbraw/zinc/92/97/97/1303929797.db2.gz HADGBCCSUFIZQZ-INIZCTEOSA-N 1 1 347.459 2.015 20 10 EECDMO COC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)Cc2nnn(C)c21 ZINC001231878630 1303936206 /nfs/dbraw/zinc/93/62/06/1303936206.db2.gz OBDVDIDQFGUEFV-OAHLLOKOSA-N 1 1 338.411 2.420 20 10 EECDMO COC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)Cc2nnn(C)c21 ZINC001231878630 1303936207 /nfs/dbraw/zinc/93/62/07/1303936207.db2.gz OBDVDIDQFGUEFV-OAHLLOKOSA-N 1 1 338.411 2.420 20 10 EECDMO C[N@@H+](Cc1ccc(I)cc1O)[C@H]1CCOC1 ZINC001232977908 1304313764 /nfs/dbraw/zinc/31/37/64/1304313764.db2.gz QGVXPJVDNAGGGW-NSHDSACASA-N 1 1 333.169 2.218 20 10 EECDMO Oc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc(O)c1O ZINC001233011426 1304326203 /nfs/dbraw/zinc/32/62/03/1304326203.db2.gz HIWKFWANQWQSDM-JKSUJKDBSA-N 1 1 341.411 2.047 20 10 EECDMO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233013788 1304327599 /nfs/dbraw/zinc/32/75/99/1304327599.db2.gz UFGMAQRTBZGLHV-LBPRGKRZSA-N 1 1 338.404 2.245 20 10 EECDMO C[N@@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233013788 1304327603 /nfs/dbraw/zinc/32/76/03/1304327603.db2.gz UFGMAQRTBZGLHV-LBPRGKRZSA-N 1 1 338.404 2.245 20 10 EECDMO C[N@H+]1C[C@H]2CN(Cc3c(O)cc(Br)cc3F)C[C@H]2C1 ZINC001233031981 1304335370 /nfs/dbraw/zinc/33/53/70/1304335370.db2.gz RLHNTWFUKCDENT-AOOOYVTPSA-N 1 1 329.213 2.287 20 10 EECDMO C[N@@H+]1C[C@H]2CN(Cc3c(O)cc(Br)cc3F)C[C@H]2C1 ZINC001233031981 1304335377 /nfs/dbraw/zinc/33/53/77/1304335377.db2.gz RLHNTWFUKCDENT-AOOOYVTPSA-N 1 1 329.213 2.287 20 10 EECDMO COc1cc(O)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1Br ZINC001233140690 1304373463 /nfs/dbraw/zinc/37/34/63/1304373463.db2.gz RDJHZMCHSAPKOK-TXEJJXNPSA-N 1 1 341.249 2.157 20 10 EECDMO CCOC(=O)c1c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c2ccccc2n1C ZINC001233270288 1304411604 /nfs/dbraw/zinc/41/16/04/1304411604.db2.gz IHOLGDOZPGYDSG-GOEBONIOSA-N 1 1 334.391 2.260 20 10 EECDMO CCOC(=O)c1c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c2ccccc2n1C ZINC001233270288 1304411605 /nfs/dbraw/zinc/41/16/05/1304411605.db2.gz IHOLGDOZPGYDSG-GOEBONIOSA-N 1 1 334.391 2.260 20 10 EECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001233290925 1304418984 /nfs/dbraw/zinc/41/89/84/1304418984.db2.gz DDRZJJDUKIFJHQ-CYBMUJFWSA-N 1 1 335.791 2.498 20 10 EECDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCCO1 ZINC001233455608 1304469496 /nfs/dbraw/zinc/46/94/96/1304469496.db2.gz RNIKOYSBGLTPHQ-ZDUSSCGKSA-N 1 1 333.306 2.175 20 10 EECDMO Oc1c(C[N@H+]2CCO[C@]3(CCOC3)C2)cccc1OC(F)(F)F ZINC001233737099 1304573545 /nfs/dbraw/zinc/57/35/45/1304573545.db2.gz VYANMCNMRMIVBJ-CQSZACIVSA-N 1 1 333.306 2.282 20 10 EECDMO COc1ccc2ccc(O)c(CN3CC([N@H+](C)[C@@H]4CCOC4)C3)c2c1 ZINC001234562392 1304970351 /nfs/dbraw/zinc/97/03/51/1304970351.db2.gz MUVDKYNSKHJFHJ-OAHLLOKOSA-N 1 1 342.439 2.459 20 10 EECDMO COc1ccc2ccc(O)c(CN3CC([N@@H+](C)[C@@H]4CCOC4)C3)c2c1 ZINC001234562392 1304970352 /nfs/dbraw/zinc/97/03/52/1304970352.db2.gz MUVDKYNSKHJFHJ-OAHLLOKOSA-N 1 1 342.439 2.459 20 10 EECDMO CN1CCN(c2ccc(CN3CCC[C@H]([NH+](C)C)C3)c(F)c2)CC1 ZINC001236940402 1305738882 /nfs/dbraw/zinc/73/88/82/1305738882.db2.gz PVGCKXWLVISEPI-SFHVURJKSA-N 1 1 334.483 2.104 20 10 EECDMO COc1cc(O)c(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(Br)c1 ZINC001237071150 1305785756 /nfs/dbraw/zinc/78/57/56/1305785756.db2.gz QZMTWUMVQVNINF-UWVGGRQHSA-N 1 1 327.222 2.052 20 10 EECDMO COc1cc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c(O)c(OC)c1 ZINC001237677357 1306040407 /nfs/dbraw/zinc/04/04/07/1306040407.db2.gz ASSZMIJGOINDHI-OAHLLOKOSA-N 1 1 329.343 2.410 20 10 EECDMO Cc1ccc(C)c(C[N@H+]2Cc3ccnn3CC[C@@H]2C(=O)N(C)C)c1O ZINC001278358858 1309765124 /nfs/dbraw/zinc/76/51/24/1309765124.db2.gz WUKWQDDFQABEIP-QGZVFWFLSA-N 1 1 342.443 2.068 20 10 EECDMO Cc1ccc(C)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2C(=O)N(C)C)c1O ZINC001278358858 1309765136 /nfs/dbraw/zinc/76/51/36/1309765136.db2.gz WUKWQDDFQABEIP-QGZVFWFLSA-N 1 1 342.443 2.068 20 10 EECDMO COc1ccc(N2CC[NH+](CCNC(=O)OC3CCC3)CC2)cc1 ZINC000830486928 1314538486 /nfs/dbraw/zinc/53/84/86/1314538486.db2.gz KPIWCQRXRFJQCB-UHFFFAOYSA-N 1 1 333.432 2.096 20 10 EECDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000831873507 1314626961 /nfs/dbraw/zinc/62/69/61/1314626961.db2.gz VODJFZQOCGGPDI-UHFFFAOYSA-N 1 1 330.359 2.193 20 10 EECDMO Cc1cc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)ccc1N(C)C ZINC001139673806 1314757778 /nfs/dbraw/zinc/75/77/78/1314757778.db2.gz KJSGUKQLIJYTIC-UHFFFAOYSA-N 1 1 338.455 2.414 20 10 EECDMO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000839954116 1315263655 /nfs/dbraw/zinc/26/36/55/1315263655.db2.gz ANJALWQQVVODHZ-HZPDHXFCSA-N 1 1 331.460 2.027 20 10 EECDMO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000839954116 1315263658 /nfs/dbraw/zinc/26/36/58/1315263658.db2.gz ANJALWQQVVODHZ-HZPDHXFCSA-N 1 1 331.460 2.027 20 10 EECDMO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840910801 1315433867 /nfs/dbraw/zinc/43/38/67/1315433867.db2.gz SDHKPGLHUSPMEF-KRWDZBQOSA-N 1 1 346.519 2.093 20 10 EECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000840946707 1315443417 /nfs/dbraw/zinc/44/34/17/1315443417.db2.gz FUCQAOYCDJFLNT-VQIMIIECSA-N 1 1 344.459 2.014 20 10 EECDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])c2ccccc2OC)c1 ZINC000843488992 1315922738 /nfs/dbraw/zinc/92/27/38/1315922738.db2.gz AFCIABHRECCIBU-PIGZYNQJSA-N 1 1 330.384 2.287 20 10 EECDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@@H](O)[C@@](C)(CO)C3)ccc2O1 ZINC001249223451 1317028256 /nfs/dbraw/zinc/02/82/56/1317028256.db2.gz GSGVIYINQLKEMQ-VQIMIIECSA-N 1 1 333.428 2.142 20 10 EECDMO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC001203560915 1321912382 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CCN(C)c1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000841041972 1315460813 /nfs/dbraw/zinc/46/08/13/1315460813.db2.gz IQWDUCPJJBGPBD-GOSISDBHSA-N 1 1 327.476 2.393 20 10 EECDMO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142531070 1315652261 /nfs/dbraw/zinc/65/22/61/1315652261.db2.gz ONADDADEKCEFHQ-NSHDSACASA-N 1 1 337.326 2.122 20 10 EECDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142531070 1315652265 /nfs/dbraw/zinc/65/22/65/1315652265.db2.gz ONADDADEKCEFHQ-NSHDSACASA-N 1 1 337.326 2.122 20 10 EECDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2c1cnn2C ZINC001203589708 1321918455 /nfs/dbraw/zinc/91/84/55/1321918455.db2.gz LQDAPIBFTGCODM-AWEZNQCLSA-N 1 1 331.416 2.270 20 10 EECDMO CCn1cc2c(n1)C[N@@H+](Cc1cccc(OC)c1O)C[C@H]2COC ZINC001203590040 1321918521 /nfs/dbraw/zinc/91/85/21/1321918521.db2.gz RNOBQKMRDNVKGW-AWEZNQCLSA-N 1 1 331.416 2.363 20 10 EECDMO CCn1cc2c(n1)C[N@H+](Cc1cccc(OC)c1O)C[C@H]2COC ZINC001203590040 1321918522 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C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000902019487 1331534439 /nfs/dbraw/zinc/53/44/39/1331534439.db2.gz XBIKOAVHRAELCG-MAUKXSAKSA-N 1 1 331.460 2.124 20 10 EECDMO CN1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)cc2F)CC1 ZINC001324676485 1333736741 /nfs/dbraw/zinc/73/67/41/1333736741.db2.gz KSYQPSWQGAGTHX-APWZRJJASA-N 1 1 347.478 2.434 20 10 EECDMO COCn1ncc(C)c1C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001333835870 1336145737 /nfs/dbraw/zinc/14/57/37/1336145737.db2.gz XJXNUZGBMKFVPB-UHFFFAOYSA-N 1 1 332.448 2.372 20 10 EECDMO C[C@@H]1CN(c2ccc(CNc3cc[nH+]c(N)n3)cc2F)C[C@H](C)O1 ZINC001337791170 1336737494 /nfs/dbraw/zinc/73/74/94/1336737494.db2.gz VWLLYNMXGTWCAX-TXEJJXNPSA-N 1 1 331.395 2.424 20 10 EECDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000848884801 1338792519 /nfs/dbraw/zinc/79/25/19/1338792519.db2.gz FXYWXZSSEUENCR-QGZVFWFLSA-N 1 1 332.444 2.168 20 10 EECDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589961578 1349081738 /nfs/dbraw/zinc/08/17/38/1349081738.db2.gz ROLLZMXTJLNENG-KBPBESRZSA-N 1 1 344.463 2.487 20 10 EECDMO CN1CCCc2cc(CNC(=O)NC[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000108567856 1369203658 /nfs/dbraw/zinc/20/36/58/1369203658.db2.gz RMBPYQZVRMWFFX-MRXNPFEDSA-N 1 1 330.476 2.210 20 10 EECDMO CCOC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001116740700 1371734087 /nfs/dbraw/zinc/73/40/87/1371734087.db2.gz QFFOCQCUEZNPBJ-SFHVURJKSA-N 1 1 349.450 2.009 20 10 EECDMO O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137835602 1372281766 /nfs/dbraw/zinc/28/17/66/1372281766.db2.gz KSBGJDDSKJVYRM-HUUCEWRRSA-N 1 1 341.386 2.130 20 10 EECDMO Cc1c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c2ccccc2n1C ZINC001138254172 1372372171 /nfs/dbraw/zinc/37/21/71/1372372171.db2.gz RVBUDVDKFHEVTN-QRVBRYPASA-N 1 1 341.455 2.307 20 10 EECDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138341472 1372386215 /nfs/dbraw/zinc/38/62/15/1372386215.db2.gz GZZGENCXWOXULC-QGZVFWFLSA-N 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EECDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930601672 1206569436 /nfs/dbraw/zinc/56/94/36/1206569436.db2.gz JUXJFYXOMXNMTM-FQEVSTJZSA-N 1 1 329.488 2.441 20 10 EECDMO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930601672 1206569438 /nfs/dbraw/zinc/56/94/38/1206569438.db2.gz JUXJFYXOMXNMTM-FQEVSTJZSA-N 1 1 329.488 2.441 20 10 EECDMO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930601672 1206569439 /nfs/dbraw/zinc/56/94/39/1206569439.db2.gz JUXJFYXOMXNMTM-FQEVSTJZSA-N 1 1 329.488 2.441 20 10 EECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191895560 1210392630 /nfs/dbraw/zinc/39/26/30/1210392630.db2.gz PSSLSAKDWLWFTR-SFHVURJKSA-N 1 1 344.455 2.441 20 10 EECDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000091985289 1214372328 /nfs/dbraw/zinc/37/23/28/1214372328.db2.gz BQLSKWSSWZTNPH-VIFPVBQESA-N 1 1 346.221 2.404 20 10 EECDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092067413 1214386112 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IJQPAZNNECMGGV-XLIONFOSSA-N 1 1 343.471 2.125 20 10 EECDMO COc1ccc2c(c1)OCC[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000802743481 1238126609 /nfs/dbraw/zinc/12/66/09/1238126609.db2.gz DPCQXQIEUIGSAX-QGZVFWFLSA-N 1 1 343.379 2.221 20 10 EECDMO COc1ccc2c(c1)OCC[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000802743481 1238126618 /nfs/dbraw/zinc/12/66/18/1238126618.db2.gz DPCQXQIEUIGSAX-QGZVFWFLSA-N 1 1 343.379 2.221 20 10 EECDMO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cnc(C)[nH]3)C[C@H]2C)cc1C ZINC001054494653 1248501826 /nfs/dbraw/zinc/50/18/26/1248501826.db2.gz DWMKWORSGCILPB-DYVFJYSZSA-N 1 1 342.443 2.285 20 10 EECDMO COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000111235770 1292349423 /nfs/dbraw/zinc/34/94/23/1292349423.db2.gz VGZFTVUSJGIUNZ-KRWDZBQOSA-N 1 1 331.412 2.410 20 10 EECDMO Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(O)c1O ZINC000794591020 1296439914 /nfs/dbraw/zinc/43/99/14/1296439914.db2.gz FKAKEEBBVYNKEB-OAHLLOKOSA-N 1 1 342.395 2.225 20 10 EECDMO NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCF)C3)cc1 ZINC001099179016 1298956015 /nfs/dbraw/zinc/95/60/15/1298956015.db2.gz WDUQVCUAGHAIKV-GUYCJALGSA-N 1 1 347.394 2.403 20 10 EECDMO NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCF)C3)cc1 ZINC001099179016 1298956023 /nfs/dbraw/zinc/95/60/23/1298956023.db2.gz WDUQVCUAGHAIKV-GUYCJALGSA-N 1 1 347.394 2.403 20 10 EECDMO Cc1cc(C[N@@H+]2C[C@H]3C[C@H](CC(=O)N(C)C)O[C@H]3C2)ccc1N(C)C ZINC001276929176 1300314587 /nfs/dbraw/zinc/31/45/87/1300314587.db2.gz NLYNDWLXXLASPG-LMMKCTJWSA-N 1 1 345.487 2.129 20 10 EECDMO COC(=O)Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001277420692 1302945806 /nfs/dbraw/zinc/94/58/06/1302945806.db2.gz FNIXPRIYPPMXIG-LJQANCHMSA-N 1 1 332.444 2.025 20 10 EECDMO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c(O)c1 ZINC001277420692 1302945812 /nfs/dbraw/zinc/94/58/12/1302945812.db2.gz FNIXPRIYPPMXIG-LJQANCHMSA-N 1 1 332.444 2.025 20 10 EECDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c(O)c1 ZINC001277420692 1302945815 /nfs/dbraw/zinc/94/58/15/1302945815.db2.gz FNIXPRIYPPMXIG-LJQANCHMSA-N 1 1 332.444 2.025 20 10 EECDMO CC(C)(C)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)Cc2ccnn21 ZINC001277441216 1303029275 /nfs/dbraw/zinc/02/92/75/1303029275.db2.gz JSVBOGHWEWQBQJ-INIZCTEOSA-N 1 1 342.443 2.450 20 10 EECDMO CN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589574 1303856992 /nfs/dbraw/zinc/85/69/92/1303856992.db2.gz LMDKVAFCFVYVCV-MRXNPFEDSA-N 1 1 341.455 2.188 20 10 EECDMO COC(=O)c1cccc2c1C[N@H+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001231639691 1303876425 /nfs/dbraw/zinc/87/64/25/1303876425.db2.gz ZNXXZHQTHHISCR-UHFFFAOYSA-N 1 1 343.379 2.451 20 10 EECDMO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001231639691 1303876428 /nfs/dbraw/zinc/87/64/28/1303876428.db2.gz ZNXXZHQTHHISCR-UHFFFAOYSA-N 1 1 343.379 2.451 20 10 EECDMO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001231855428 1303931405 /nfs/dbraw/zinc/93/14/05/1303931405.db2.gz TYJYXPQBXMLHCG-UHFFFAOYSA-N 1 1 327.428 2.463 20 10 EECDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1c1ccccc1 ZINC001233016088 1304329870 /nfs/dbraw/zinc/32/98/70/1304329870.db2.gz MEYADSZVURHNHB-GJZGRUSLSA-N 1 1 343.379 2.192 20 10 EECDMO CCCNC(=O)COC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233336440 1304436384 /nfs/dbraw/zinc/43/63/84/1304436384.db2.gz LPXCKDAQAQXDCY-UHFFFAOYSA-N 1 1 342.386 2.178 20 10 EECDMO CN1CCN(CC[N@H+](C)Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454695 1304470071 /nfs/dbraw/zinc/47/00/71/1304470071.db2.gz GEWLEVNZYYJIJJ-UHFFFAOYSA-N 1 1 331.382 2.090 20 10 EECDMO CN1CCN(CC[N@@H+](C)Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454695 1304470073 /nfs/dbraw/zinc/47/00/73/1304470073.db2.gz GEWLEVNZYYJIJJ-UHFFFAOYSA-N 1 1 331.382 2.090 20 10 EECDMO CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001234478403 1304938058 /nfs/dbraw/zinc/93/80/58/1304938058.db2.gz ZLSBOCJKEKORJT-OKILXGFUSA-N 1 1 335.400 2.323 20 10 EECDMO Oc1cc(Br)cc(F)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060578 1305487897 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O=C1COCC2(CC[NH+](Cc3c(O)ccc(Cl)c3Cl)CC2)N1 ZINC001237079261 1305789947 /nfs/dbraw/zinc/78/99/47/1305789947.db2.gz JEMVTQURZGIZNI-UHFFFAOYSA-N 1 1 345.226 2.180 20 10 EECDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209625 1305847671 /nfs/dbraw/zinc/84/76/71/1305847671.db2.gz JQJYGAVAZXKOSQ-IYBDPMFKSA-N 1 1 336.501 2.399 20 10 EECDMO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066229 1306207983 /nfs/dbraw/zinc/20/79/83/1306207983.db2.gz KATGOVSFNROAER-INIZCTEOSA-N 1 1 338.423 2.299 20 10 EECDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(C)c(Br)cc3O)C[C@@H]21 ZINC001250133039 1317217240 /nfs/dbraw/zinc/21/72/40/1317217240.db2.gz HAHYVQREERQKCQ-YABSGUDNSA-N 1 1 340.217 2.314 20 10 EECDMO Nc1ccc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001120592044 1309629123 /nfs/dbraw/zinc/62/91/23/1309629123.db2.gz PVKOTQQWOOIRJR-UHFFFAOYSA-N 1 1 338.455 2.339 20 10 EECDMO COc1cc(I)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC001248390723 1310899776 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EECDMO COc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c(O)c1OC ZINC000892239369 678294448 /nfs/dbraw/zinc/29/44/48/678294448.db2.gz KFOPEGVIHUTWHG-RRFJBIMHSA-N 1 1 337.416 2.178 20 10 EECDMO CCN(CC)C(=O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894206062 681230847 /nfs/dbraw/zinc/23/08/47/681230847.db2.gz DVBHEODJBHWCRI-UHFFFAOYSA-N 1 1 349.406 2.062 20 10 EECDMO CCn1nc(C)c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449328 693319463 /nfs/dbraw/zinc/31/94/63/693319463.db2.gz BLPOGFHWKYRVQV-SFHVURJKSA-N 1 1 330.480 2.065 20 10 EECDMO CCc1ncc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000898447942 693323729 /nfs/dbraw/zinc/32/37/29/693323729.db2.gz NJYGDVFIXSPRJO-SFHVURJKSA-N 1 1 327.476 2.498 20 10 EECDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000185085166 1192576492 /nfs/dbraw/zinc/57/64/92/1192576492.db2.gz WWGPOJMDPMVTAZ-KRWDZBQOSA-N 1 1 345.443 2.017 20 10 EECDMO C[N@H+]1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C1 ZINC001270703672 1185330131 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/nfs/dbraw/zinc/91/50/57/789915057.db2.gz UEPBIUOLMXYGQS-CQSZACIVSA-N 1 1 346.383 2.250 20 10 EECDMO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN2CCCC2)cc1C ZINC001146396544 791233004 /nfs/dbraw/zinc/23/30/04/791233004.db2.gz ASXNVVGFPTWQBH-IAGOWNOFSA-N 1 1 347.503 2.472 20 10 EECDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000153906647 797551980 /nfs/dbraw/zinc/55/19/80/797551980.db2.gz YYDLVQGTLJKPOH-LBPRGKRZSA-N 1 1 328.507 2.409 20 10 EECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027515 803575166 /nfs/dbraw/zinc/57/51/66/803575166.db2.gz QTYQFVVKKXDDGM-AEFFLSMTSA-N 1 1 333.432 2.400 20 10 EECDMO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1C(C)C ZINC000793565287 810412879 /nfs/dbraw/zinc/41/28/79/810412879.db2.gz CMLNEIABHDQKEL-HNNXBMFYSA-N 1 1 340.489 2.290 20 10 EECDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](CS(C)(=O)=O)C3)c2c1 ZINC000793699396 810490343 /nfs/dbraw/zinc/49/03/43/810490343.db2.gz POUXJCGLMNEDNC-CYBMUJFWSA-N 1 1 349.452 2.421 20 10 EECDMO CC[C@H](C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)[O-] ZINC001603935231 974424424 /nfs/dbraw/zinc/42/44/24/974424424.db2.gz TZZRITDTXBWRIG-GUYCJALGSA-N 1 1 337.439 2.166 20 10 EECDMO