smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)CCCC[C@@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094742 214115857 /nfs/dbraw/zinc/11/58/57/214115857.db2.gz GLZPJLGTFOHEGO-SECBINFHSA-N 1 0 341.209 1.664 10 0 EDAERO CC[C@H]1C[C@H](C[NH+]2CCC(c3n[nH]c(C(=O)NC)n3)CC2)CCO1 ZINC000685940117 539577280 /nfs/dbraw/zinc/57/72/80/539577280.db2.gz RUFGYPXESDHZDQ-OCCSQVGLSA-N 1 0 335.452 1.549 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000249111616 539697256 /nfs/dbraw/zinc/69/72/56/539697256.db2.gz ASKYZMNRRXHDJK-CVEARBPZSA-N 1 0 345.447 1.317 10 0 EDAERO Cc1nc(CN2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000174774451 540095740 /nfs/dbraw/zinc/09/57/40/540095740.db2.gz NOUBEHCNMNYTQL-UHFFFAOYSA-N 1 0 349.479 1.533 10 0 EDAERO COCCOc1cccc(CNC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000183126208 540135754 /nfs/dbraw/zinc/13/57/54/540135754.db2.gz DTLXIOCMSKTEDX-PBHICJAKSA-N 1 0 336.432 1.485 10 0 EDAERO Cn1ncc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1N ZINC000386378635 540190042 /nfs/dbraw/zinc/19/00/42/540190042.db2.gz SWOJQMDGMAYUPE-DJIMGWMZSA-N 1 0 339.443 1.643 10 0 EDAERO c1cc(-c2noc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)cc2c1OCO2 ZINC000020454927 202042805 /nfs/dbraw/zinc/04/28/05/202042805.db2.gz XOQYBROLOHASGT-CYBMUJFWSA-N 1 0 328.372 1.745 10 0 EDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073323017 138216230 /nfs/dbraw/zinc/21/62/30/138216230.db2.gz RWPUXLWGZKSYHU-CQSZACIVSA-N 1 0 348.447 1.424 10 0 EDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000083713647 138269368 /nfs/dbraw/zinc/26/93/68/138269368.db2.gz KVUIMUYVTFQTEZ-GUTXKFCHSA-N 1 0 334.468 1.841 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(N3CCCNC3=O)CC2)C1 ZINC000133855514 138399036 /nfs/dbraw/zinc/39/90/36/138399036.db2.gz ZKAJPASBFPDLJQ-AWEZNQCLSA-N 1 0 337.468 1.060 10 0 EDAERO O=C(NCCCc1nc2ccccc2[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187103172 236118800 /nfs/dbraw/zinc/11/88/00/236118800.db2.gz ZFTHLHXJZOBPBU-CQSZACIVSA-N 1 0 327.432 1.985 10 0 EDAERO CCOc1cc(C[NH3+])cc(Br)c1OC[C@H](O)COC ZINC000069053674 202267804 /nfs/dbraw/zinc/26/78/04/202267804.db2.gz PYKJFWHUCTXGQB-SNVBAGLBSA-N 1 0 334.210 1.693 10 0 EDAERO CN(C)c1nnc(SC[C@@]([NH2+]C2CC2)(C(N)=O)C2CC2)s1 ZINC000069191367 202271340 /nfs/dbraw/zinc/27/13/40/202271340.db2.gz UQXZUGBVZGTWTM-ZDUSSCGKSA-N 1 0 327.479 1.082 10 0 EDAERO CCc1ccc(N2C[C@@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2=O)cc1 ZINC000034916325 202280784 /nfs/dbraw/zinc/28/07/84/202280784.db2.gz YLOJOMVGOZHJDY-DOTOQJQBSA-N 1 0 329.444 1.764 10 0 EDAERO C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 ZINC000034916371 202281562 /nfs/dbraw/zinc/28/15/62/202281562.db2.gz CJAYIAHYJKTEPE-AWEZNQCLSA-N 1 0 333.407 1.385 10 0 EDAERO CCn1c(=O)cc(C)c2ccc(OCC(=O)NCC[NH+](C)C)cc21 ZINC000035954344 202310658 /nfs/dbraw/zinc/31/06/58/202310658.db2.gz GGVQRNFBARURLV-UHFFFAOYSA-N 1 0 331.416 1.386 10 0 EDAERO CCCSc1nsc(NC(=O)CN(CC)[C@H]2CC[NH2+]C2)n1 ZINC000071313047 202345088 /nfs/dbraw/zinc/34/50/88/202345088.db2.gz KTOINSDAJALQBC-JTQLQIEISA-N 1 0 329.495 1.663 10 0 EDAERO COc1ccc(Br)cc1CN1CCC[N@H+](CCO)CC1 ZINC000071350558 202348200 /nfs/dbraw/zinc/34/82/00/202348200.db2.gz HCEGDSOMVISVJK-UHFFFAOYSA-N 1 0 343.265 1.958 10 0 EDAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000150036080 201104156 /nfs/dbraw/zinc/10/41/56/201104156.db2.gz WBADGMCZRRVGTL-ZYHUDNBSSA-N 1 0 333.885 1.684 10 0 EDAERO Cc1nn(C)c(C[C@@H](O)C[C@@H]2CN(C)CC[N@@H+]2C)c1Br ZINC000149409322 201390079 /nfs/dbraw/zinc/39/00/79/201390079.db2.gz OPIDMJVDGRBBOG-NEPJUHHUSA-N 1 0 345.285 1.030 10 0 EDAERO CC[NH2+]C[C@@H](Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000149358812 201390431 /nfs/dbraw/zinc/39/04/31/201390431.db2.gz TVQXOZACSDBXFW-VXGBXAGGSA-N 1 0 327.475 1.599 10 0 EDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000062127068 202793915 /nfs/dbraw/zinc/79/39/15/202793915.db2.gz XXENQBZPVNQUQC-UHFFFAOYSA-N 1 0 337.851 1.505 10 0 EDAERO FC(F)(F)Oc1cccc(-n2nncc2CN2CC[NH2+]CC2)c1 ZINC000070460991 203078133 /nfs/dbraw/zinc/07/81/33/203078133.db2.gz IGNDQLDRJVDMCE-UHFFFAOYSA-N 1 0 327.310 1.571 10 0 EDAERO COC(=O)[C@@H](C)CN(CC[NH+](C)C)C(=O)c1cccc(NC(C)=O)c1 ZINC000071639002 203101580 /nfs/dbraw/zinc/10/15/80/203101580.db2.gz MBMOECKBXIXURO-ZDUSSCGKSA-N 1 0 349.431 1.458 10 0 EDAERO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172603658 284120189 /nfs/dbraw/zinc/12/01/89/284120189.db2.gz UMKVZHOJQDJGMS-CQSZACIVSA-N 1 0 332.452 1.253 10 0 EDAERO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000019980719 212092214 /nfs/dbraw/zinc/09/22/14/212092214.db2.gz USCRBSZQUBHVDZ-QMMMGPOBSA-N 1 0 325.217 1.694 10 0 EDAERO C[C@@H]1C[C@@H]1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000075979181 203329368 /nfs/dbraw/zinc/32/93/68/203329368.db2.gz LPMDSGDZEYWIPA-AEFFLSMTSA-N 1 0 330.476 1.902 10 0 EDAERO Cc1ccc2c(c1)nc(CN1C(=O)NC3(CC[NH2+]CC3)C1=O)n2C ZINC000077341237 203381140 /nfs/dbraw/zinc/38/11/40/203381140.db2.gz REVUUPZURXVOMT-UHFFFAOYSA-N 1 0 327.388 1.056 10 0 EDAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn3ccccc3n2)ncn1 ZINC000105797646 204160733 /nfs/dbraw/zinc/16/07/33/204160733.db2.gz ZJOLYIVBNRGQIU-OAHLLOKOSA-N 1 0 337.431 1.925 10 0 EDAERO C[N@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803571 204161588 /nfs/dbraw/zinc/16/15/88/204161588.db2.gz BAWBBWANTLNNNP-QZTJIDSGSA-N 1 0 326.444 1.981 10 0 EDAERO CC[C@H]1CN(CC(=O)NC(=O)Nc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826369 204167650 /nfs/dbraw/zinc/16/76/50/204167650.db2.gz ZRYGPTMPTBMRFB-ZBFHGGJFSA-N 1 0 348.447 1.112 10 0 EDAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(=O)NC ZINC000043091486 204211131 /nfs/dbraw/zinc/21/11/31/204211131.db2.gz UIYLJRXWKMNMSV-TZMCWYRMSA-N 1 0 328.254 1.905 10 0 EDAERO Cc1cc(NC(=O)CN(C)C2CC[NH+](CCn3cccn3)CC2)no1 ZINC000105863016 204171921 /nfs/dbraw/zinc/17/19/21/204171921.db2.gz FEUIOAPUXHMLKH-UHFFFAOYSA-N 1 0 346.435 1.214 10 0 EDAERO C[C@H](CNC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000105926582 204179378 /nfs/dbraw/zinc/17/93/78/204179378.db2.gz DPIXTFWAOLIDKG-SOLBZPMBSA-N 1 0 333.476 1.557 10 0 EDAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC[C@@H]1C(N)=O ZINC000042952688 204185644 /nfs/dbraw/zinc/18/56/44/204185644.db2.gz QGJYVDHIAIRQFV-WQAKAFBOSA-N 1 0 326.238 1.787 10 0 EDAERO CC(=O)N1CCN([C@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000043020034 204199149 /nfs/dbraw/zinc/19/91/49/204199149.db2.gz UQABLIDSJNSPAP-CQSZACIVSA-N 1 0 326.238 1.613 10 0 EDAERO O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195045870 139005449 /nfs/dbraw/zinc/00/54/49/139005449.db2.gz LEFJDVJUFJLUIB-ZIAGYGMSSA-N 1 0 333.398 1.957 10 0 EDAERO O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195045854 139005598 /nfs/dbraw/zinc/00/55/98/139005598.db2.gz LEFJDVJUFJLUIB-KGLIPLIRSA-N 1 0 333.398 1.957 10 0 EDAERO CC(C)CNC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297742 139012942 /nfs/dbraw/zinc/01/29/42/139012942.db2.gz RHTALKJSKXYMNP-FUHWJXTLSA-N 1 0 332.492 1.996 10 0 EDAERO C[C@H]([NH3+])c1cccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c1 ZINC000050351208 204593429 /nfs/dbraw/zinc/59/34/29/204593429.db2.gz QWADXALQUADYAK-JTQLQIEISA-N 1 0 332.447 1.025 10 0 EDAERO CC[NH2+]CC1CCN(C(=O)CNC(=O)Nc2cccc(C)c2)CC1 ZINC000237006703 139037986 /nfs/dbraw/zinc/03/79/86/139037986.db2.gz XEXGSNJGIYYGAU-UHFFFAOYSA-N 1 0 332.448 1.965 10 0 EDAERO CCc1ccccc1N1C[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])CC1=O ZINC000237012436 139038126 /nfs/dbraw/zinc/03/81/26/139038126.db2.gz CQPKZBHKRLACBM-HOTGVXAUSA-N 1 0 329.444 1.942 10 0 EDAERO COc1ccccc1COC[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125290767 205002373 /nfs/dbraw/zinc/00/23/73/205002373.db2.gz FEGRLBWYRGDQCM-QZTJIDSGSA-N 1 0 334.460 1.743 10 0 EDAERO C[C@@H](CC(=O)N1CCC(C[NH3+])CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000237315047 139047545 /nfs/dbraw/zinc/04/75/45/139047545.db2.gz FMDVVRPKDGHMCL-LBPRGKRZSA-N 1 0 342.436 1.575 10 0 EDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000130666732 205250865 /nfs/dbraw/zinc/25/08/65/205250865.db2.gz YVCIJWUMCDWSTB-INIZCTEOSA-N 1 0 339.430 1.959 10 0 EDAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)COCc1ccccc1)CC2 ZINC000133001772 205351462 /nfs/dbraw/zinc/35/14/62/205351462.db2.gz XWMLHKIFODOJEX-GBESFXJTSA-N 1 0 349.471 1.816 10 0 EDAERO CNC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nn1 ZINC000132841871 205344855 /nfs/dbraw/zinc/34/48/55/205344855.db2.gz FXQYNRZVGOBSPD-CABCVRRESA-N 1 0 333.436 1.016 10 0 EDAERO Cc1cc(I)cnc1NC(=O)C1CC[NH2+]CC1 ZINC000237662639 139057293 /nfs/dbraw/zinc/05/72/93/139057293.db2.gz ARKXEKFKLPHKDK-UHFFFAOYSA-N 1 0 345.184 1.933 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1 ZINC000111606349 220169990 /nfs/dbraw/zinc/16/99/90/220169990.db2.gz QBKARFMUIFSTDR-QGZVFWFLSA-N 1 0 344.459 1.307 10 0 EDAERO Cc1ccc(N2CCC(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)nc1 ZINC000237906939 139063418 /nfs/dbraw/zinc/06/34/18/139063418.db2.gz QIEHEGMCTYGSAH-INIZCTEOSA-N 1 0 328.460 1.865 10 0 EDAERO Cc1cccc(C[NH+]2CCN(C[C@@H](O)CN3CCCC3=O)CC2)c1 ZINC000111681877 220178024 /nfs/dbraw/zinc/17/80/24/220178024.db2.gz KNFUZBHPIYUXNB-GOSISDBHSA-N 1 0 331.460 1.096 10 0 EDAERO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000238086572 139068584 /nfs/dbraw/zinc/06/85/84/139068584.db2.gz XWNSGDJANVYCLB-SBUREZEXSA-N 1 0 330.453 1.622 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245416939 139073042 /nfs/dbraw/zinc/07/30/42/139073042.db2.gz JBJICXWYDPPQOX-YESZJQIVSA-N 1 0 340.512 1.611 10 0 EDAERO COC(=O)[C@H](C)Oc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000245502293 139077209 /nfs/dbraw/zinc/07/72/09/139077209.db2.gz FMVJDICSUNACTM-YOEHRIQHSA-N 1 0 336.432 1.389 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCCC(N)=O ZINC000245732965 139084625 /nfs/dbraw/zinc/08/46/25/139084625.db2.gz FKMUWDXMVVWRJE-KBPBESRZSA-N 1 0 346.431 1.641 10 0 EDAERO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)C[C@H]1N1CCOCC1 ZINC000245736398 139084666 /nfs/dbraw/zinc/08/46/66/139084666.db2.gz KWMHFOIZLFQICL-MAUKXSAKSA-N 1 0 341.459 1.635 10 0 EDAERO CC[C@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245824971 139086902 /nfs/dbraw/zinc/08/69/02/139086902.db2.gz FMCRINGHYOEPDM-HOCLYGCPSA-N 1 0 343.431 1.185 10 0 EDAERO COc1nc(N2CC[N@@H+]3CCC[C@H]3C2)nc(N2CCCCCC2)n1 ZINC000245882098 139088449 /nfs/dbraw/zinc/08/84/49/139088449.db2.gz KPHSHRXPRYGVHX-AWEZNQCLSA-N 1 0 332.452 1.545 10 0 EDAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1Br ZINC000159009993 206221015 /nfs/dbraw/zinc/22/10/15/206221015.db2.gz PYNCUPRFZMBXER-XVKPBYJWSA-N 1 0 333.251 1.903 10 0 EDAERO CCC[C@H](C(=O)N1CCCN(c2nccc(OCC)n2)CC1)[NH+](C)C ZINC000159342059 206240118 /nfs/dbraw/zinc/24/01/18/206240118.db2.gz IEHLMHLSYYPKBI-OAHLLOKOSA-N 1 0 349.479 1.644 10 0 EDAERO COc1cccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246388787 139106716 /nfs/dbraw/zinc/10/67/16/139106716.db2.gz ISLPXEVSBJJAMA-MAUKXSAKSA-N 1 0 347.459 1.676 10 0 EDAERO Cc1ccccc1CNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246458599 139109295 /nfs/dbraw/zinc/10/92/95/139109295.db2.gz NHNUQOCOYWVMKM-WMZOPIPTSA-N 1 0 331.460 1.264 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN([C@@H]2CCN(c3ccccc3F)C2=O)C[C@@H]1C ZINC000246496798 139110649 /nfs/dbraw/zinc/11/06/49/139110649.db2.gz AVTOSFKFZBOKKG-GRDNDAEWSA-N 1 0 335.423 1.318 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN([C@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000246496838 139110881 /nfs/dbraw/zinc/11/08/81/139110881.db2.gz AVTOSFKFZBOKKG-KEYYUXOJSA-N 1 0 335.423 1.318 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H](O)COCc2ccccc2)C1 ZINC000246585616 139113967 /nfs/dbraw/zinc/11/39/67/139113967.db2.gz OCJALRWTRCHFMN-QZTJIDSGSA-N 1 0 349.475 1.690 10 0 EDAERO CCOc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246598624 139114435 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EDAERO CC(C)(O)C[NH+]1CCN(c2ncc(Br)cc2CO)CC1 ZINC000071381590 202349073 /nfs/dbraw/zinc/34/90/73/202349073.db2.gz FSPTZNGCIXAMGO-UHFFFAOYSA-N 1 0 344.253 1.229 10 0 EDAERO CCN(Cc1ccc(Br)s1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037800535 202366623 /nfs/dbraw/zinc/36/66/23/202366623.db2.gz HYSCIJLLRBCDCI-SCZZXKLOSA-N 1 0 333.251 1.582 10 0 EDAERO Cc1cc(C)n(-c2nc(-c3cccnc3)cc(N3CC[C@H]([NH3+])C3)n2)n1 ZINC000073684191 202371228 /nfs/dbraw/zinc/37/12/28/202371228.db2.gz MCIOVMRNAAKOGE-HNNXBMFYSA-N 1 0 335.415 1.879 10 0 EDAERO COC(=O)[C@H](NCC[NH+](C)C)c1ccc(Br)cc1F ZINC000037964942 202380913 /nfs/dbraw/zinc/38/09/13/202380913.db2.gz YIJUODIHNVBFCL-GFCCVEGCSA-N 1 0 333.201 1.954 10 0 EDAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000041307396 201091095 /nfs/dbraw/zinc/09/10/95/201091095.db2.gz AQETVBFFAGMIIR-ZDUSSCGKSA-N 1 0 341.477 1.397 10 0 EDAERO O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000151204485 201391380 /nfs/dbraw/zinc/39/13/80/201391380.db2.gz SEQGEXUCRDXSOE-WMZOPIPTSA-N 1 0 326.396 1.605 10 0 EDAERO CCc1nn(CC)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000156491641 201398676 /nfs/dbraw/zinc/39/86/76/201398676.db2.gz IMPGEGXJZRQKBH-MFKMUULPSA-N 1 0 345.285 1.776 10 0 EDAERO C[C@@H](Cn1cccn1)NC(=O)c1cnn2c1C[C@H](C[NH+](C)C)CC2 ZINC000299745296 202559684 /nfs/dbraw/zinc/55/96/84/202559684.db2.gz XQMBBZOYXCSMTH-UONOGXRCSA-N 1 0 330.436 1.022 10 0 EDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NCc1cc(Br)cs1 ZINC000071319684 203092121 /nfs/dbraw/zinc/09/21/21/203092121.db2.gz MTBZHHDFFJRIJA-VIFPVBQESA-N 1 0 339.280 1.682 10 0 EDAERO CCOC(=O)CCN(CC[NH+](C)C)C(=O)Cc1ccc(OC)cc1 ZINC000071620794 203101102 /nfs/dbraw/zinc/10/11/02/203101102.db2.gz VCQKZCLEZNKYOB-UHFFFAOYSA-N 1 0 336.432 1.581 10 0 EDAERO [NH3+]CCc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1 ZINC000071696719 203103427 /nfs/dbraw/zinc/10/34/27/203103427.db2.gz MFIFZAAAELFQLX-UHFFFAOYSA-N 1 0 330.457 1.536 10 0 EDAERO CC(C)c1nc(N2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)no1 ZINC000071746421 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O=C(NCCc1cn2ccccc2n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105101291 204134157 /nfs/dbraw/zinc/13/41/57/204134157.db2.gz DNWCUQADURADLS-MRXNPFEDSA-N 1 0 327.432 1.757 10 0 EDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000152040399 204204437 /nfs/dbraw/zinc/20/44/37/204204437.db2.gz KOXXYIPXLGFAKN-OAHLLOKOSA-N 1 0 334.468 1.937 10 0 EDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NCCOc2cccc(C)c2)c1 ZINC000105881694 204174378 /nfs/dbraw/zinc/17/43/78/204174378.db2.gz OYZZAYVFMVELFI-MRXNPFEDSA-N 1 0 330.432 1.673 10 0 EDAERO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886651 204176703 /nfs/dbraw/zinc/17/67/03/204176703.db2.gz JMXOVJSCVBEEBG-CYBMUJFWSA-N 1 0 335.452 1.608 10 0 EDAERO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883471 204177044 /nfs/dbraw/zinc/17/70/44/204177044.db2.gz LNNXCOCOCVPHLN-MRXNPFEDSA-N 1 0 327.432 1.615 10 0 EDAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)NCc3ccccc3)C2)n1 ZINC000105884824 204177175 /nfs/dbraw/zinc/17/71/75/204177175.db2.gz NXAUUQNXWLCZHS-SFHVURJKSA-N 1 0 341.459 1.923 10 0 EDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCc1ccccc1Cl ZINC000105933492 204180882 /nfs/dbraw/zinc/18/08/82/204180882.db2.gz JATPKYIYRGCLEE-TZMCWYRMSA-N 1 0 325.840 1.265 10 0 EDAERO CCOc1ccnc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000106152416 204188286 /nfs/dbraw/zinc/18/82/86/204188286.db2.gz RIJNRVYTYKPLQU-KRWDZBQOSA-N 1 0 342.443 1.601 10 0 EDAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC[C@@H]1C(N)=O ZINC000043020243 204198944 /nfs/dbraw/zinc/19/89/44/204198944.db2.gz VWFFKYDEJPLORZ-BIMULSAOSA-N 1 0 326.238 1.787 10 0 EDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000106917863 204220914 /nfs/dbraw/zinc/22/09/14/204220914.db2.gz JZPVIPJLXROOHL-MOPGFXCFSA-N 1 0 326.440 1.879 10 0 EDAERO C[NH+]1CCC(CCNC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000111855297 204376530 /nfs/dbraw/zinc/37/65/30/204376530.db2.gz PRJNKYADTPTEGZ-AWEZNQCLSA-N 1 0 338.477 1.958 10 0 EDAERO O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195324517 139014256 /nfs/dbraw/zinc/01/42/56/139014256.db2.gz BKBHUOKESNAMBG-INIZCTEOSA-N 1 0 338.411 1.212 10 0 EDAERO O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195328457 139014383 /nfs/dbraw/zinc/01/43/83/139014383.db2.gz JQMRURAOXFHKDT-SJORKVTESA-N 1 0 327.428 1.598 10 0 EDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1 ZINC000236994414 139037597 /nfs/dbraw/zinc/03/75/97/139037597.db2.gz VMPOXFHZHBOBDB-RNCFNFMXSA-N 1 0 333.392 1.801 10 0 EDAERO CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237088259 139040262 /nfs/dbraw/zinc/04/02/62/139040262.db2.gz QSOMKHZZYKHOIB-VHSXEESVSA-N 1 0 330.406 1.034 10 0 EDAERO COc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)C(C)C)cc1 ZINC000237144569 139042102 /nfs/dbraw/zinc/04/21/02/139042102.db2.gz UUPLVQCKKYYFMR-HOTGVXAUSA-N 1 0 333.432 1.303 10 0 EDAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000237326797 139047944 /nfs/dbraw/zinc/04/79/44/139047944.db2.gz DMKZLRBASFLALJ-GFCCVEGCSA-N 1 0 342.465 1.548 10 0 EDAERO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cnc2n1 ZINC000156667759 205108200 /nfs/dbraw/zinc/10/82/00/205108200.db2.gz BTMXGFLKCFQIQN-OAHLLOKOSA-N 1 0 325.420 1.850 10 0 EDAERO Cn1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(-c2ccncc2)n1 ZINC000128596020 205154079 /nfs/dbraw/zinc/15/40/79/205154079.db2.gz FTKSWUNSYGJGDC-OAHLLOKOSA-N 1 0 337.431 1.986 10 0 EDAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccncc1Br ZINC000147543882 205291395 /nfs/dbraw/zinc/29/13/95/205291395.db2.gz KDMYORYVOYUWTE-BXKDBHETSA-N 1 0 328.210 1.797 10 0 EDAERO C[NH+](C)C1(CNS(=O)(=O)c2cnc(N)c(Cl)c2)CCCC1 ZINC000147400710 205369082 /nfs/dbraw/zinc/36/90/82/205369082.db2.gz RMXOBMMOMBVPLQ-UHFFFAOYSA-N 1 0 332.857 1.470 10 0 EDAERO CCCNC(=O)c1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000133758165 205377302 /nfs/dbraw/zinc/37/73/02/205377302.db2.gz XVDSQJHPXRCHET-INIZCTEOSA-N 1 0 333.432 1.229 10 0 EDAERO CCOC(=O)CNC(=O)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000134530544 205413939 /nfs/dbraw/zinc/41/39/39/205413939.db2.gz RMEFXAAHFWPPLZ-IBGZPJMESA-N 1 0 348.443 1.285 10 0 EDAERO O=C1NCCCN1C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000135433546 205459494 /nfs/dbraw/zinc/45/94/94/205459494.db2.gz HCYGLSXTTHCIHF-GOSISDBHSA-N 1 0 347.459 1.444 10 0 EDAERO CN1CCO[C@H](CNC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000245504658 139077206 /nfs/dbraw/zinc/07/72/06/139077206.db2.gz FDYHLUHCECWYDG-KBAYOESNSA-N 1 0 347.459 1.784 10 0 EDAERO COC(=O)c1cccc(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000245564727 139079539 /nfs/dbraw/zinc/07/95/39/139079539.db2.gz QVDJKDCYPUCKPO-YOEHRIQHSA-N 1 0 345.443 1.894 10 0 EDAERO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245758969 139085245 /nfs/dbraw/zinc/08/52/45/139085245.db2.gz PGLRSOCCPMPDLR-INIZCTEOSA-N 1 0 334.464 1.732 10 0 EDAERO CS(=O)(=O)C[C@@H]([NH3+])Cc1ccc(I)cc1 ZINC000161634589 206014089 /nfs/dbraw/zinc/01/40/89/206014089.db2.gz QQKAHCKLKISOIT-JTQLQIEISA-N 1 0 339.198 1.206 10 0 EDAERO 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LWFVOJJUOBKOCD-UHFFFAOYSA-N 1 0 336.505 1.935 10 0 EDAERO CCC[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[NH+](C)C ZINC000126577018 138338365 /nfs/dbraw/zinc/33/83/65/138338365.db2.gz FPSBKWBIPOSHQY-UJJTZGENSA-N 1 0 336.524 1.486 10 0 EDAERO CCN(C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)[C@H](C)CS(C)(=O)=O ZINC000132421537 138376692 /nfs/dbraw/zinc/37/66/92/138376692.db2.gz IYDJIEBRGHTBJF-BFHYXJOUSA-N 1 0 333.498 1.180 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(CSC)no1 ZINC000133016739 138386991 /nfs/dbraw/zinc/38/69/91/138386991.db2.gz UGOYKGWGLAASRZ-QWHCGFSZSA-N 1 0 338.477 1.950 10 0 EDAERO CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000068646678 202230358 /nfs/dbraw/zinc/23/03/58/202230358.db2.gz TVLLXBYHUDNNRD-NEPJUHHUSA-N 1 0 333.475 1.640 10 0 EDAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)Sc1nnc(N(C)C)s1)C(N)=O ZINC000068643927 202231088 /nfs/dbraw/zinc/23/10/88/202231088.db2.gz ISZQOSLMTYDZHU-RNCFNFMXSA-N 1 0 331.511 1.717 10 0 EDAERO 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338.477 1.604 10 0 EDAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000069142227 290008308 /nfs/dbraw/zinc/00/83/08/290008308.db2.gz LDHLWVBVTSYEAU-WCQYABFASA-N 1 0 331.459 1.318 10 0 EDAERO Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)NC(N)=O ZINC000261824343 302122403 /nfs/dbraw/zinc/12/24/03/302122403.db2.gz HZSUXLUQKHOOSE-HUUCEWRRSA-N 1 0 332.448 1.680 10 0 EDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000248895182 302158928 /nfs/dbraw/zinc/15/89/28/302158928.db2.gz XMURIJLXIXLIRY-SZMVWBNQSA-N 1 0 343.471 1.945 10 0 EDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCS[C@H]3CCCC[C@H]32)cn1 ZINC000261999835 302937448 /nfs/dbraw/zinc/93/74/48/302937448.db2.gz UKNKBGWMRZZRNJ-QXSJWSMHSA-N 1 0 334.489 1.610 10 0 EDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000392844094 303851799 /nfs/dbraw/zinc/85/17/99/303851799.db2.gz ARFRRXBFRGHSJW-TZMCWYRMSA-N 1 0 325.453 1.890 10 0 EDAERO O=C(/C=C\c1ccc(Br)o1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000493855185 447412822 /nfs/dbraw/zinc/41/28/22/447412822.db2.gz KHDJMPSNGDAJIS-YLQALMJQSA-N 1 0 341.205 1.645 10 0 EDAERO CN1CCO[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000105068772 441230241 /nfs/dbraw/zinc/23/02/41/441230241.db2.gz SIFUFHYTSHOMDT-ROUUACIJSA-N 1 0 346.475 1.453 10 0 EDAERO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CN(C)CCO2)[NH+](C)C)cc1 ZINC000105083286 441230723 /nfs/dbraw/zinc/23/07/23/441230723.db2.gz CRWWXNVPYXSAFA-MSOLQXFVSA-N 1 0 348.491 1.482 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000105174428 441240806 /nfs/dbraw/zinc/24/08/06/441240806.db2.gz KYUSXNRDVBVUFK-HOTGVXAUSA-N 1 0 344.459 1.855 10 0 EDAERO c1c(CN2CCC[C@@H](c3nnc4ccccn43)C2)nn2c1C[NH2+]CC2 ZINC000072167049 441205894 /nfs/dbraw/zinc/20/58/94/441205894.db2.gz HZHMHJZQKQHUDI-CQSZACIVSA-N 1 0 337.431 1.409 10 0 EDAERO NC(=O)CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105008289 441228459 /nfs/dbraw/zinc/22/84/59/441228459.db2.gz DVIGEZPRCZAAOM-CQSZACIVSA-N 1 0 346.431 1.643 10 0 EDAERO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000105797810 441272465 /nfs/dbraw/zinc/27/24/65/441272465.db2.gz UCAUJKMUYTVVFQ-UONOGXRCSA-N 1 0 334.468 1.334 10 0 EDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1 ZINC000105818119 441278068 /nfs/dbraw/zinc/27/80/68/441278068.db2.gz WSIFZPZJEVBZGC-ZWKOTPCHSA-N 1 0 335.492 1.596 10 0 EDAERO CC(C)N(Cc1ccccc1)C(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105822806 441280828 /nfs/dbraw/zinc/28/08/28/441280828.db2.gz IUAHYMNONUTXIX-QZTJIDSGSA-N 1 0 347.503 1.811 10 0 EDAERO CC[C@@H]1CN(CC(=O)N[C@@H]2CCCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000105835902 441288416 /nfs/dbraw/zinc/28/84/16/441288416.db2.gz JOOORNKFUQVQCJ-GVDBMIGSSA-N 1 0 325.497 1.724 10 0 EDAERO CC[C@H]1CN([C@@H](C)C(=O)NC2CCCCC2)CC[N@@H+]1CCOC ZINC000105835709 441289239 /nfs/dbraw/zinc/28/92/39/441289239.db2.gz SZYWZUDIRXLGCQ-RDJZCZTQSA-N 1 0 325.497 1.866 10 0 EDAERO CC[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC000105836045 441289401 /nfs/dbraw/zinc/28/94/01/441289401.db2.gz CYTGGLIIHUJWPE-AWEZNQCLSA-N 1 0 341.402 1.946 10 0 EDAERO CCOCC[N@@H+]1CCN(CC(=O)N2CCCCCC2)C[C@@H]1CC ZINC000105837640 441289732 /nfs/dbraw/zinc/28/97/32/441289732.db2.gz RHNXGLYHDZGJRA-KRWDZBQOSA-N 1 0 325.497 1.822 10 0 EDAERO CCOC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106426482 441343265 /nfs/dbraw/zinc/34/32/65/441343265.db2.gz KSOVRJDPZSZGDA-QGZVFWFLSA-N 1 0 347.459 1.896 10 0 EDAERO Cn1cc(CN2CCC[N@H+](Cc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000105869554 441300869 /nfs/dbraw/zinc/30/08/69/441300869.db2.gz OMDAWSOYYFZDHN-UHFFFAOYSA-N 1 0 327.432 1.227 10 0 EDAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c(OC)c1 ZINC000105871742 441301555 /nfs/dbraw/zinc/30/15/55/441301555.db2.gz SDGRUZCSDUDHMB-VXGBXAGGSA-N 1 0 345.403 1.227 10 0 EDAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871792 441301703 /nfs/dbraw/zinc/30/17/03/441301703.db2.gz YBHRQZZXTVYXIW-RRFJBIMHSA-N 1 0 327.432 1.757 10 0 EDAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1OC ZINC000105871403 441302048 /nfs/dbraw/zinc/30/20/48/441302048.db2.gz BDDSGGVGRNSOOO-YPMHNXCESA-N 1 0 345.403 1.227 10 0 EDAERO O[C@H](COCc1ccco1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105902066 441313940 /nfs/dbraw/zinc/31/39/40/441313940.db2.gz VMTLSEFIRUOZCK-HNNXBMFYSA-N 1 0 332.404 1.159 10 0 EDAERO COc1ccc(Br)cc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063171159 441316178 /nfs/dbraw/zinc/31/61/78/441316178.db2.gz XMIZXYOSSTYCBO-MRVPVSSYSA-N 1 0 337.239 1.473 10 0 EDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCc1ccccc1Cl ZINC000105933489 441319608 /nfs/dbraw/zinc/31/96/08/441319608.db2.gz JATPKYIYRGCLEE-GXTWGEPZSA-N 1 0 325.840 1.265 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000109385147 441498585 /nfs/dbraw/zinc/49/85/85/441498585.db2.gz UGEBXWJKUBJJCC-GFCCVEGCSA-N 1 0 336.461 1.822 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000113228281 441589069 /nfs/dbraw/zinc/58/90/69/441589069.db2.gz RLYQMBPMYZXYIA-IUODEOHRSA-N 1 0 335.835 1.765 10 0 EDAERO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113306002 441601648 /nfs/dbraw/zinc/60/16/48/441601648.db2.gz LDPNYCIUPLNRLP-TZMCWYRMSA-N 1 0 338.429 1.330 10 0 EDAERO CC(=O)N1CCN(c2ccccc2C[NH2+]CCc2cnn(C)c2)CC1 ZINC000089954535 441604545 /nfs/dbraw/zinc/60/45/45/441604545.db2.gz CBXNBKUPEJRBCK-UHFFFAOYSA-N 1 0 341.459 1.421 10 0 EDAERO Cc1ccc(C(=O)NCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(O)c1 ZINC000113444954 441608378 /nfs/dbraw/zinc/60/83/78/441608378.db2.gz QPLXMKSLMWEMNL-LSDHHAIUSA-N 1 0 345.443 1.516 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nncn1-c1ccccc1 ZINC000113595348 441616607 /nfs/dbraw/zinc/61/66/07/441616607.db2.gz HMQUTDYMXZBNBD-GOEBONIOSA-N 1 0 340.431 1.645 10 0 EDAERO CCc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000041643046 441666381 /nfs/dbraw/zinc/66/63/81/441666381.db2.gz RAJDSZLQBJMHDW-INIZCTEOSA-N 1 0 333.432 1.151 10 0 EDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCCC2CCCCC2)CC1 ZINC000173450737 441755700 /nfs/dbraw/zinc/75/57/00/441755700.db2.gz JSASUQMRMAWGFU-KRWDZBQOSA-N 1 0 325.497 1.462 10 0 EDAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000077366346 441763770 /nfs/dbraw/zinc/76/37/70/441763770.db2.gz KRUYTXROMGGTFI-HZPDHXFCSA-N 1 0 347.459 1.961 10 0 EDAERO CC1CC[NH+](CCCNC(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000173533411 441782208 /nfs/dbraw/zinc/78/22/08/441782208.db2.gz RYAITBFKHSFVED-MRXNPFEDSA-N 1 0 334.468 1.747 10 0 EDAERO CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)CC2 ZINC000159188000 441793386 /nfs/dbraw/zinc/79/33/86/441793386.db2.gz CSXIMIRBFLBVFL-AWEZNQCLSA-N 1 0 348.495 1.890 10 0 EDAERO CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)CC2 ZINC000173609781 441804099 /nfs/dbraw/zinc/80/40/99/441804099.db2.gz VLUNPFOPCQPEFN-WMLDXEAASA-N 1 0 349.479 1.065 10 0 EDAERO C[NH+](C)Cc1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1 ZINC000139108236 441806133 /nfs/dbraw/zinc/80/61/33/441806133.db2.gz WJKGBGUOHBSXAS-UHFFFAOYSA-N 1 0 339.403 1.109 10 0 EDAERO COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116310319 441809402 /nfs/dbraw/zinc/80/94/02/441809402.db2.gz LHCAAELZWJOZEJ-ZBFHGGJFSA-N 1 0 342.443 1.923 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)NCCCN2C(=O)COc3ccccc32)C1 ZINC000173913961 441860626 /nfs/dbraw/zinc/86/06/26/441860626.db2.gz GAPKDGDTZDIASN-AWEZNQCLSA-N 1 0 346.431 1.148 10 0 EDAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1nc2ccccc2[nH]1 ZINC000117026981 441863383 /nfs/dbraw/zinc/86/33/83/441863383.db2.gz VZFCDHGGHSNGCJ-QWHCGFSZSA-N 1 0 331.420 1.596 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000116783868 441843726 /nfs/dbraw/zinc/84/37/26/441843726.db2.gz LTIOXYBSWDYWSM-CQSZACIVSA-N 1 0 346.349 1.873 10 0 EDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000122354780 441846026 /nfs/dbraw/zinc/84/60/26/441846026.db2.gz CKFAHBIHZHTRTF-ZIAGYGMSSA-N 1 0 334.468 1.849 10 0 EDAERO Cc1ccc(N2CCC(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)CC2)nc1 ZINC000116790631 441846767 /nfs/dbraw/zinc/84/67/67/441846767.db2.gz ASKPYWCCVAMRDO-KRWDZBQOSA-N 1 0 346.475 1.395 10 0 EDAERO CC1=NN(c2ccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000116795634 441848430 /nfs/dbraw/zinc/84/84/30/441848430.db2.gz MTZCPOIJKMGJTM-KRWDZBQOSA-N 1 0 330.432 1.675 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CCO1 ZINC000116796645 441850191 /nfs/dbraw/zinc/85/01/91/441850191.db2.gz MTYLLJXCEHDQMR-NSHDSACASA-N 1 0 345.212 1.991 10 0 EDAERO C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000174618329 441946135 /nfs/dbraw/zinc/94/61/35/441946135.db2.gz LOVUTVCQRZQKEH-QAPCUYQASA-N 1 0 331.460 1.731 10 0 EDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000174632412 441946958 /nfs/dbraw/zinc/94/69/58/441946958.db2.gz KNAPPZAJRLAUSL-OAHLLOKOSA-N 1 0 344.415 1.069 10 0 EDAERO O=S(=O)(c1ccccc1)n1ccc2c1nccc2N1CC[NH2+]CC1 ZINC000095936866 441953626 /nfs/dbraw/zinc/95/36/26/441953626.db2.gz VHSMLXNTQIHQHK-UHFFFAOYSA-N 1 0 342.424 1.683 10 0 EDAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCS(=O)(=O)C(C)C)C2)n1 ZINC000120123952 442012499 /nfs/dbraw/zinc/01/24/99/442012499.db2.gz LCSDFMXBJBEXIO-MRXNPFEDSA-N 1 0 342.509 1.820 10 0 EDAERO Cc1cc(Cl)ccc1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000175204651 442017065 /nfs/dbraw/zinc/01/70/65/442017065.db2.gz RKYLUSBALBEIEK-CQSZACIVSA-N 1 0 325.840 1.849 10 0 EDAERO CCC(CC)CS(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000151315541 442041714 /nfs/dbraw/zinc/04/17/14/442041714.db2.gz QRFBZKVLMNBMHI-AWEZNQCLSA-N 1 0 334.526 1.777 10 0 EDAERO [NH3+]CCC1CCN(c2ncc(I)cn2)CC1 ZINC000126263969 442094114 /nfs/dbraw/zinc/09/41/14/442094114.db2.gz KWTAVTFUTLXDSY-UHFFFAOYSA-N 1 0 332.189 1.646 10 0 EDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000162109585 442065250 /nfs/dbraw/zinc/06/52/50/442065250.db2.gz GBFBBILECWBVIW-CYBMUJFWSA-N 1 0 344.415 1.812 10 0 EDAERO CCOCC[N@@H+]1CCN(C(=O)NCC(C)(C)C[C@@H](C)O)C[C@H]1CC ZINC000175551817 442083888 /nfs/dbraw/zinc/08/38/88/442083888.db2.gz 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CMHVCQAYIJEGRW-CYBMUJFWSA-N 1 0 342.168 1.372 10 0 EDAERO O=C1N[C@]2(CC[NH2+]C2)C(=O)N1Cc1cc(Br)cs1 ZINC000167848008 534803159 /nfs/dbraw/zinc/80/31/59/534803159.db2.gz MCZKFFADGFOEBE-NSHDSACASA-N 1 0 330.207 1.295 10 0 EDAERO CC(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)=C1C[NH2+]C1 ZINC000164059890 527446274 /nfs/dbraw/zinc/44/62/74/527446274.db2.gz PYHVBPRFCOSAQC-UHFFFAOYSA-N 1 0 329.809 1.570 10 0 EDAERO CC(C)[NH2+]CCn1cc(S(=O)(=O)N2CCS[C@@H](C)C2)cn1 ZINC000137571652 527734915 /nfs/dbraw/zinc/73/49/15/527734915.db2.gz FOUPVRLPCCNEOR-LBPRGKRZSA-N 1 0 332.495 1.007 10 0 EDAERO CCOC(=O)[C@@H](c1cncc(Br)c1)N1CCC[NH2+]CC1 ZINC000166198483 527815979 /nfs/dbraw/zinc/81/59/79/527815979.db2.gz PPSCXLSVTSVAGI-CYBMUJFWSA-N 1 0 342.237 1.744 10 0 EDAERO CCC[C@H](C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O)[NH+](C)C ZINC000153937718 527985380 /nfs/dbraw/zinc/98/53/80/527985380.db2.gz VGIWFRNOOHACNN-UKRRQHHQSA-N 1 0 333.432 1.647 10 0 EDAERO CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)COCc1ccccc1)CC2 ZINC000153652164 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CCCn1ncc(Br)c1C(=O)[C@H]1COC[C@H]1[NH2+]CC ZINC000164473525 528878212 /nfs/dbraw/zinc/87/82/12/528878212.db2.gz KEQUTACZEAZNRY-GXSJLCMTSA-N 1 0 330.226 1.863 10 0 EDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171813818 528993190 /nfs/dbraw/zinc/99/31/90/528993190.db2.gz LDEVELXNDAECOF-MOPGFXCFSA-N 1 0 345.487 1.739 10 0 EDAERO CCOC(=O)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000187488027 529018328 /nfs/dbraw/zinc/01/83/28/529018328.db2.gz KCEXTGOYIBEKPO-HOTGVXAUSA-N 1 0 333.432 1.506 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000174092743 529228958 /nfs/dbraw/zinc/22/89/58/529228958.db2.gz DKCZVXHGBPEVGQ-IAGOWNOFSA-N 1 0 340.439 1.092 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC(=O)N(CC)CC ZINC000173972731 529304181 /nfs/dbraw/zinc/30/41/81/529304181.db2.gz ZINIQSMAOMOUMA-JKSUJKDBSA-N 1 0 338.496 1.903 10 0 EDAERO CCOc1ccc(C[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C(=O)OC)cc1 ZINC000246538070 535727598 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Cc1cc([C@H]2CCCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)[nH]n1 ZINC000897682190 591617786 /nfs/dbraw/zinc/61/77/86/591617786.db2.gz LGAYMEYOTCHPAO-AWEZNQCLSA-N 1 0 332.448 1.535 10 0 EDAERO CC[C@H]1CN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)CC[N@@H+]1CCOC ZINC000117323766 595628015 /nfs/dbraw/zinc/62/80/15/595628015.db2.gz HDXLYROWAJBDHG-YJBOKZPZSA-N 1 0 339.480 1.408 10 0 EDAERO C[NH+](C)C[C@H](NC(=O)c1nnc2ccccc2c1O)c1ccccc1 ZINC000111542673 595866403 /nfs/dbraw/zinc/86/64/03/595866403.db2.gz JRMMDGFQZRRFPQ-INIZCTEOSA-N 1 0 336.395 1.956 10 0 EDAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000120453163 596523802 /nfs/dbraw/zinc/52/38/02/596523802.db2.gz KZEYJHPTDLQVPZ-MJVIPROJSA-N 1 0 346.474 1.471 10 0 EDAERO CCOCC[N@@H+]1CCN(CCCNC(=O)C(F)(F)F)C[C@H]1CC ZINC000154812897 697207509 /nfs/dbraw/zinc/20/75/09/697207509.db2.gz FXUPEMCBJPYSPE-CYBMUJFWSA-N 1 0 339.402 1.488 10 0 EDAERO C[NH2+][C@](C)(CCCCn1nc(C)c(Br)c1C)C(N)=O ZINC000050595152 214060295 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CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000074085865 287267435 /nfs/dbraw/zinc/26/74/35/287267435.db2.gz CUUIJYZLOFVTLE-INIZCTEOSA-N 1 0 338.496 1.761 10 0 EDAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079767413 287303274 /nfs/dbraw/zinc/30/32/74/287303274.db2.gz CIVBATJDDSNNAN-OALUTQOASA-N 1 0 346.471 1.693 10 0 EDAERO [NH3+][C@@H](CS(=O)(=O)c1ccccc1Br)[C@H]1CCOC1 ZINC000158775344 225083316 /nfs/dbraw/zinc/08/33/16/225083316.db2.gz GUJHTFFTOUHLEI-ONGXEEELSA-N 1 0 334.235 1.587 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C[C@H](O)COc2cccc3[nH]ccc32)CCO1 ZINC000158968475 225118783 /nfs/dbraw/zinc/11/87/83/225118783.db2.gz FCAAAAWXAPQEOP-LSDHHAIUSA-N 1 0 333.432 1.170 10 0 EDAERO COCCOc1cccc(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000123670144 287389523 /nfs/dbraw/zinc/38/95/23/287389523.db2.gz SCLFPTXIWCSIQZ-QGZVFWFLSA-N 1 0 336.432 1.043 10 0 EDAERO CCn1ncc(Br)c1C(=O)c1csc(CC[NH3+])n1 ZINC000164432081 226072261 /nfs/dbraw/zinc/07/22/61/226072261.db2.gz CXOSPADCKSBRCJ-UHFFFAOYSA-N 1 0 329.223 1.854 10 0 EDAERO COCC[NH2+]Cc1cc(Br)cc(C)c1OC[C@H](O)CO ZINC000166931778 226174991 /nfs/dbraw/zinc/17/49/91/226174991.db2.gz SCISAIUEXXADPS-CYBMUJFWSA-N 1 0 348.237 1.226 10 0 EDAERO C[NH+](C)CCn1ncc(Br)c1[C@H](NN)C(F)(F)F ZINC000169043950 226229291 /nfs/dbraw/zinc/22/92/91/226229291.db2.gz WLKVVYSLABWGHM-QMMMGPOBSA-N 1 0 330.152 1.274 10 0 EDAERO CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCC[NH+](C)C)C2)cc1 ZINC000170557536 226627400 /nfs/dbraw/zinc/62/74/00/226627400.db2.gz UQOSOVWVFFFFTM-CQSZACIVSA-N 1 0 332.448 1.491 10 0 EDAERO CNC(=O)COc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000123123256 222220289 /nfs/dbraw/zinc/22/02/89/222220289.db2.gz BMMLVTNRFIYUSZ-BBRMVZONSA-N 1 0 348.447 1.662 10 0 EDAERO CC[C@@](C)(O)C[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000123406663 222273126 /nfs/dbraw/zinc/27/31/26/222273126.db2.gz NZXORQJJRFFGMV-LJQANCHMSA-N 1 0 331.460 1.354 10 0 EDAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000171658676 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CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000113590901 441617005 /nfs/dbraw/zinc/61/70/05/441617005.db2.gz WMSBEYVXZXTFHO-CVEARBPZSA-N 1 0 326.485 1.271 10 0 EDAERO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000113616786 441618609 /nfs/dbraw/zinc/61/86/09/441618609.db2.gz BRSYQTAARFMCHG-RDJZCZTQSA-N 1 0 348.491 1.746 10 0 EDAERO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000041642931 441666441 /nfs/dbraw/zinc/66/64/41/441666441.db2.gz PEBADLAVQPLJPU-QGZVFWFLSA-N 1 0 347.459 1.712 10 0 EDAERO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000041643027 441666508 /nfs/dbraw/zinc/66/65/08/441666508.db2.gz CRFNZOXCHHXAKW-CYBMUJFWSA-N 1 0 337.395 1.036 10 0 EDAERO CCc1nc2n(n1)C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC2 ZINC000114908949 441695698 /nfs/dbraw/zinc/69/56/98/441695698.db2.gz HXJVLPMGDNSHSH-LBPRGKRZSA-N 1 0 348.495 1.764 10 0 EDAERO CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000158370626 441731680 /nfs/dbraw/zinc/73/16/80/441731680.db2.gz YKTFZEPIOGIHJD-GDBMZVCRSA-N 1 0 332.448 1.427 10 0 EDAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000077366342 441764315 /nfs/dbraw/zinc/76/43/15/441764315.db2.gz KRUYTXROMGGTFI-HOTGVXAUSA-N 1 0 347.459 1.961 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)C1 ZINC000115807026 441779194 /nfs/dbraw/zinc/77/91/94/441779194.db2.gz DPNVENBZQITZMI-KRWDZBQOSA-N 1 0 348.495 1.122 10 0 EDAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CCC[S@](C)=O ZINC000116918440 441860598 /nfs/dbraw/zinc/86/05/98/441860598.db2.gz AIVNRVFPGMKPSU-HSZRJFAPSA-N 1 0 342.509 1.238 10 0 EDAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173924101 441862328 /nfs/dbraw/zinc/86/23/28/441862328.db2.gz MQEGITVGPKXOBB-ROUUACIJSA-N 1 0 348.487 1.956 10 0 EDAERO Cc1oc(-c2ccco2)nc1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789386 441846240 /nfs/dbraw/zinc/84/62/40/441846240.db2.gz YOGAIINHXPAGIY-CYBMUJFWSA-N 1 0 333.388 1.575 10 0 EDAERO COc1cc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc(OC)c1 ZINC000116797826 441850282 /nfs/dbraw/zinc/85/02/82/441850282.db2.gz RPPOQTAKNBIFIY-QGZVFWFLSA-N 1 0 336.432 1.425 10 0 EDAERO COCCOC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000116824801 441851767 /nfs/dbraw/zinc/85/17/67/441851767.db2.gz XAYXAANQLOELCK-SFHVURJKSA-N 1 0 334.460 1.813 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000118857630 441908512 /nfs/dbraw/zinc/90/85/12/441908512.db2.gz QQBYLBSCQJNAMZ-CQSZACIVSA-N 1 0 339.867 1.975 10 0 EDAERO CCc1ccc(OCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)cc1 ZINC000174590624 441942078 /nfs/dbraw/zinc/94/20/78/441942078.db2.gz JUCQCEIPZLMMMZ-WBVHZDCISA-N 1 0 334.460 1.931 10 0 EDAERO COc1cccc(NC(=O)CCN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174782004 441967729 /nfs/dbraw/zinc/96/77/29/441967729.db2.gz CXTUADLEXLDGEM-LSDHHAIUSA-N 1 0 335.448 1.411 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000174970546 441990205 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O=C1CCCN1C[C@@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175806848 442127061 /nfs/dbraw/zinc/12/70/61/442127061.db2.gz ABHHPAOUIONCJO-DOTOQJQBSA-N 1 0 340.464 1.020 10 0 EDAERO COCC[N@@H+]1CCN(Cc2cc(OC)ccc2OCOC)C[C@H]1C ZINC000120838384 442141014 /nfs/dbraw/zinc/14/10/14/442141014.db2.gz STBIKTXYYZUQCN-OAHLLOKOSA-N 1 0 338.448 1.830 10 0 EDAERO CN(C(=O)CC[C@@H]1CCOC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000176041261 442165715 /nfs/dbraw/zinc/16/57/15/442165715.db2.gz GVXUHWYRNWJBRA-MRXNPFEDSA-N 1 0 334.464 1.623 10 0 EDAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000176049400 442166881 /nfs/dbraw/zinc/16/68/81/442166881.db2.gz LDAKHVMIUSTHSB-XJKSGUPXSA-N 1 0 333.432 1.679 10 0 EDAERO Cc1cccc(O[C@@H](C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000176048341 442166912 /nfs/dbraw/zinc/16/69/12/442166912.db2.gz YUWOUNSHVAFCBG-RDJZCZTQSA-N 1 0 335.448 1.734 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)=O)c(C)c2)C1 ZINC000127025461 442163569 /nfs/dbraw/zinc/16/35/69/442163569.db2.gz MBRSRBHQOHJRKY-OAHLLOKOSA-N 1 0 331.416 1.737 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000176751500 442253400 /nfs/dbraw/zinc/25/34/00/442253400.db2.gz XRDANYNZOLECLN-DOMZBBRYSA-N 1 0 331.416 1.405 10 0 EDAERO CC[C@H]([NH3+])C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000168427464 442224037 /nfs/dbraw/zinc/22/40/37/442224037.db2.gz STQVMKOFTZMSHR-HNNXBMFYSA-N 1 0 328.416 1.723 10 0 EDAERO CC[N@H+](CC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1)C1CC1 ZINC000152666711 442236104 /nfs/dbraw/zinc/23/61/04/442236104.db2.gz JPCWSICNILVFNA-UHFFFAOYSA-N 1 0 333.480 1.165 10 0 EDAERO CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000176629360 442241449 /nfs/dbraw/zinc/24/14/49/442241449.db2.gz HQPFKAGJOQZQQG-NVXWUHKLSA-N 1 0 341.496 1.726 10 0 EDAERO COc1ccc(CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000176860083 442264436 /nfs/dbraw/zinc/26/44/36/442264436.db2.gz JQWNTYBPKZSMDQ-OAHLLOKOSA-N 1 0 334.460 1.789 10 0 EDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccc(F)cc2)CC1 ZINC000176887899 442266886 /nfs/dbraw/zinc/26/68/86/442266886.db2.gz AZCLTEYVJAFKLH-CQSZACIVSA-N 1 0 338.423 1.756 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1OC ZINC000176901598 442270114 /nfs/dbraw/zinc/27/01/14/442270114.db2.gz XMNNXJPBACPGIJ-CYBMUJFWSA-N 1 0 337.395 1.716 10 0 EDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCNC(=O)C1CCC1 ZINC000176998567 442282615 /nfs/dbraw/zinc/28/26/15/442282615.db2.gz DCANEEKHPALYNY-QGZVFWFLSA-N 1 0 331.460 1.582 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000177015529 442285220 /nfs/dbraw/zinc/28/52/20/442285220.db2.gz RKBOSODZSUYEHA-GDBMZVCRSA-N 1 0 342.447 1.844 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000177015803 442285669 /nfs/dbraw/zinc/28/56/69/442285669.db2.gz VXQFGPXMUJJKIR-OAHLLOKOSA-N 1 0 344.459 1.673 10 0 EDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN([C@@H](C)c3ccccn3)CC2)C1 ZINC000177132869 442302178 /nfs/dbraw/zinc/30/21/78/442302178.db2.gz QYCPHUCLDARYGC-ZWKOTPCHSA-N 1 0 332.492 1.869 10 0 EDAERO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000177247115 442319375 /nfs/dbraw/zinc/31/93/75/442319375.db2.gz BWQBESFQDSRISK-YOEHRIQHSA-N 1 0 335.423 1.807 10 0 EDAERO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177271284 442323332 /nfs/dbraw/zinc/32/33/32/442323332.db2.gz AEGRDLOFAAYSKF-VKJFTORMSA-N 1 0 349.450 1.483 10 0 EDAERO C[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177278200 442323544 /nfs/dbraw/zinc/32/35/44/442323544.db2.gz UUSLJHDNBOFPAT-DQYPLSBCSA-N 1 0 326.387 1.651 10 0 EDAERO COCCC[NH+]1CCC(NC(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000171203474 442327599 /nfs/dbraw/zinc/32/75/99/442327599.db2.gz IFUMMNOHGQUYNC-MRXNPFEDSA-N 1 0 333.432 1.920 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000177312413 442327585 /nfs/dbraw/zinc/32/75/85/442327585.db2.gz DHDPFBXTIKOJTJ-OAHLLOKOSA-N 1 0 341.415 1.032 10 0 EDAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC(C)(C)C1 ZINC000177356976 442331788 /nfs/dbraw/zinc/33/17/88/442331788.db2.gz BJHLTIUZKQTKSN-BRWVUGGUSA-N 1 0 337.508 1.724 10 0 EDAERO CSc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccn1 ZINC000177442906 442341804 /nfs/dbraw/zinc/34/18/04/442341804.db2.gz ZKUJXYNTOSKBLE-ZDUSSCGKSA-N 1 0 337.489 1.968 10 0 EDAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)O1 ZINC000154752965 442354563 /nfs/dbraw/zinc/35/45/63/442354563.db2.gz NXGSHBVQUFVRJV-KDOFPFPSSA-N 1 0 332.444 1.827 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000171083282 442308759 /nfs/dbraw/zinc/30/87/59/442308759.db2.gz VKOWJRXWIBLZLN-HNNXBMFYSA-N 1 0 336.411 1.830 10 0 EDAERO Cc1nccn1C[C@H]1CCCN1C(=O)CSc1nnnn1C1CC1 ZINC000177178268 442310099 /nfs/dbraw/zinc/31/00/99/442310099.db2.gz HAOGOWPSAQZJPQ-CYBMUJFWSA-N 1 0 347.448 1.296 10 0 EDAERO O=C(Nc1ccc(Cl)c(F)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177698638 442372325 /nfs/dbraw/zinc/37/23/25/442372325.db2.gz QPBMLVLUJGFFNY-NSHDSACASA-N 1 0 325.771 1.724 10 0 EDAERO CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177696276 442372592 /nfs/dbraw/zinc/37/25/92/442372592.db2.gz LMMZOFWYNKLXAH-ZDUSSCGKSA-N 1 0 332.404 1.114 10 0 EDAERO Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177697480 442372813 /nfs/dbraw/zinc/37/28/13/442372813.db2.gz FNSIDYCZYIPUDF-AWEZNQCLSA-N 1 0 347.463 1.254 10 0 EDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000132802327 442400622 /nfs/dbraw/zinc/40/06/22/442400622.db2.gz YCSMUPTZBJVLND-HLLBOEOZSA-N 1 0 331.460 1.663 10 0 EDAERO CCS(=O)(=O)NCCCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000133175854 442408223 /nfs/dbraw/zinc/40/82/23/442408223.db2.gz JGKFEJDPACAXCX-UHFFFAOYSA-N 1 0 342.465 1.635 10 0 EDAERO Cc1cnn(CCNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000172277676 442434524 /nfs/dbraw/zinc/43/45/24/442434524.db2.gz ZQFXOUUTLLOKBB-UHFFFAOYSA-N 1 0 342.447 1.550 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)c2csc(-c3cnccn3)n2)CCO1 ZINC000172304619 442440396 /nfs/dbraw/zinc/44/03/96/442440396.db2.gz OGXBUBXERSEREC-NSHDSACASA-N 1 0 333.417 1.003 10 0 EDAERO COCC[NH+]1CCC(NC(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000172567619 442492332 /nfs/dbraw/zinc/49/23/32/442492332.db2.gz LGUYRYIERFPSAN-UHFFFAOYSA-N 1 0 349.479 1.416 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCCS(C)(=O)=O ZINC000186263558 442499466 /nfs/dbraw/zinc/49/94/66/442499466.db2.gz AANXMYHICTTXTC-HUUCEWRRSA-N 1 0 345.509 1.470 10 0 EDAERO CC(=O)Nc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000172457127 442465495 /nfs/dbraw/zinc/46/54/95/442465495.db2.gz XPSGMIUGTZKFRR-CQSZACIVSA-N 1 0 337.445 1.422 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2N2CCCC2=O)CCO1 ZINC000172655847 442516139 /nfs/dbraw/zinc/51/61/39/442516139.db2.gz GHQWFMSAWQVBCF-AWEZNQCLSA-N 1 0 346.431 1.608 10 0 EDAERO Cc1cc(C)n2c(C[N@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)cnc2n1 ZINC000180230007 442562510 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[NH3+][C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)C1 ZINC000237953356 139064806 /nfs/dbraw/zinc/06/48/06/139064806.db2.gz KQWBCVVNHRRWHX-UONOGXRCSA-N 1 0 336.480 1.737 10 0 EDAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000238053117 139067631 /nfs/dbraw/zinc/06/76/31/139067631.db2.gz GTLBDNJHNNZZQW-ZFWWWQNUSA-N 1 0 331.416 1.615 10 0 EDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000111884067 220215840 /nfs/dbraw/zinc/21/58/40/220215840.db2.gz PGIFEGPCPKINGR-HZPDHXFCSA-N 1 0 338.496 1.951 10 0 EDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000246779474 139121167 /nfs/dbraw/zinc/12/11/67/139121167.db2.gz CJCWEPIHRHLDAY-XHDPSFHLSA-N 1 0 339.386 1.540 10 0 EDAERO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246858920 139124452 /nfs/dbraw/zinc/12/44/52/139124452.db2.gz FKMZHWAGKCHHHU-HZPDHXFCSA-N 1 0 340.851 1.486 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000246953645 139128237 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[NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)C[C@H]12 ZINC000248602511 139168513 /nfs/dbraw/zinc/16/85/13/139168513.db2.gz JHWWMOPGQDGRQZ-XBVQOTNRSA-N 1 0 343.427 1.613 10 0 EDAERO Cc1ccc(CCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C)c1 ZINC000248649518 139170126 /nfs/dbraw/zinc/17/01/26/139170126.db2.gz ULJBMILNDUOWFT-SJORKVTESA-N 1 0 333.476 1.942 10 0 EDAERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CNC(=O)C1 ZINC000092515755 218145627 /nfs/dbraw/zinc/14/56/27/218145627.db2.gz FXEOXHFOFHOPEF-OAHLLOKOSA-N 1 0 330.432 1.283 10 0 EDAERO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2cn(C)c(=O)n(C)c2=O)o1 ZINC000093459142 218227014 /nfs/dbraw/zinc/22/70/14/218227014.db2.gz ZMAARRWDPKVPQT-OAHLLOKOSA-N 1 0 331.416 1.967 10 0 EDAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000249362863 139191778 /nfs/dbraw/zinc/19/17/78/139191778.db2.gz TYKWXISPEVEDGB-BZSNNMDCSA-N 1 0 337.508 1.532 10 0 EDAERO Cc1csc([C@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)n1 ZINC000249907831 139199923 /nfs/dbraw/zinc/19/99/23/139199923.db2.gz VIPJNAWFQFPHBH-GJZGRUSLSA-N 1 0 325.478 1.324 10 0 EDAERO O=C1CCCN1C[C@H](O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000252442394 139204445 /nfs/dbraw/zinc/20/44/45/139204445.db2.gz ZULMYXUSISQXPU-HUUCEWRRSA-N 1 0 338.473 1.712 10 0 EDAERO CCNC(=O)c1cccc(NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261604115 139210080 /nfs/dbraw/zinc/21/00/80/139210080.db2.gz ATIXNDCQBMDFNA-OAHLLOKOSA-N 1 0 332.448 1.434 10 0 EDAERO CC1(C)CN(S(=O)(=O)c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000261632531 139212855 /nfs/dbraw/zinc/21/28/55/139212855.db2.gz FMQRKEUKOKWKJJ-SNVBAGLBSA-N 1 0 348.266 1.592 10 0 EDAERO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)n1 ZINC000261685268 139217403 /nfs/dbraw/zinc/21/74/03/139217403.db2.gz HEGHAODLOBERCI-CABCVRRESA-N 1 0 342.399 1.856 10 0 EDAERO [NH3+]C1(c2noc(C3(CC(=O)N4CCOCC4)CCCC3)n2)CCC1 ZINC000261785772 139225795 /nfs/dbraw/zinc/22/57/95/139225795.db2.gz ODEIMURVAIUWLM-UHFFFAOYSA-N 1 0 334.420 1.468 10 0 EDAERO COc1ccc(C(=O)N2CCC(NC(=O)C[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000261790154 139226240 /nfs/dbraw/zinc/22/62/40/139226240.db2.gz KEUWXPJVZQLKHG-GFCCVEGCSA-N 1 0 349.431 1.162 10 0 EDAERO COc1cccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000261862292 139232271 /nfs/dbraw/zinc/23/22/71/139232271.db2.gz CENYVKBXUZTYBI-SJORKVTESA-N 1 0 328.416 1.390 10 0 EDAERO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261847668 139231229 /nfs/dbraw/zinc/23/12/29/139231229.db2.gz MEOZPHGLKFLXTC-SMDDNHRTSA-N 1 0 343.431 1.267 10 0 EDAERO COc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261938395 139238585 /nfs/dbraw/zinc/23/85/85/139238585.db2.gz MMYIXVMNOGRSLE-SJORKVTESA-N 1 0 328.416 1.091 10 0 EDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)O1 ZINC000262001765 139243098 /nfs/dbraw/zinc/24/30/98/139243098.db2.gz NMCIFHJMCGCZNU-CJNGLKHVSA-N 1 0 349.406 1.053 10 0 EDAERO CC1(C)CN(C(=O)COc2ccc3ccc(=O)oc3c2)CC[C@@H]1[NH3+] ZINC000262008253 139243432 /nfs/dbraw/zinc/24/34/32/139243432.db2.gz NYBFTPFDUGJBAC-HNNXBMFYSA-N 1 0 330.384 1.758 10 0 EDAERO COC(=O)c1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262014679 139244042 /nfs/dbraw/zinc/24/40/42/139244042.db2.gz VXHLWLKNESERIV-CABCVRRESA-N 1 0 328.372 1.148 10 0 EDAERO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261986182 139241987 /nfs/dbraw/zinc/24/19/87/139241987.db2.gz MNTLSLUHIFBZMK-YJBOKZPZSA-N 1 0 335.423 1.777 10 0 EDAERO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccc2c(c1)NC(=O)CO2 ZINC000262188958 139258578 /nfs/dbraw/zinc/25/85/78/139258578.db2.gz LUIHPJVVWSTEPV-SPKLELGKSA-N 1 0 343.427 1.975 10 0 EDAERO CCC[C@@](C)([NH3+])C(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000262298116 139267861 /nfs/dbraw/zinc/26/78/61/139267861.db2.gz JTEXRDUPSHNCIL-GOSISDBHSA-N 1 0 348.447 1.950 10 0 EDAERO CC(C)c1noc(-c2ccccc2C(=O)NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000262311960 139269064 /nfs/dbraw/zinc/26/90/64/139269064.db2.gz QLMOQHXBEACGOI-BXUZGUMPSA-N 1 0 330.388 1.170 10 0 EDAERO O=C(NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262389382 139275541 /nfs/dbraw/zinc/27/55/41/139275541.db2.gz MOOCOQFDRQOCSS-WFASDCNBSA-N 1 0 338.835 1.227 10 0 EDAERO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1C ZINC000262564915 139287022 /nfs/dbraw/zinc/28/70/22/139287022.db2.gz RLSYNIZDQHQVIJ-NSHDSACASA-N 1 0 325.434 1.551 10 0 EDAERO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000333885163 285042969 /nfs/dbraw/zinc/04/29/69/285042969.db2.gz VSDRLVRXUWXLKH-BZUAXINKSA-N 1 0 342.436 1.370 10 0 EDAERO C[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1CN(C)CCN1C ZINC000167916655 533011401 /nfs/dbraw/zinc/01/14/01/533011401.db2.gz JOMRAMVCLUBTEE-KGLIPLIRSA-N 1 0 327.270 1.220 10 0 EDAERO COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)C1 ZINC000333575746 285058773 /nfs/dbraw/zinc/05/87/73/285058773.db2.gz JILGCPDQKVBRAE-YQQAZPJKSA-N 1 0 325.453 1.306 10 0 EDAERO C[NH2+][C@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)C1 ZINC000133282449 533023594 /nfs/dbraw/zinc/02/35/94/533023594.db2.gz HAQBPDPBLNXJOQ-RDJZCZTQSA-N 1 0 331.460 1.960 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CSCN2C(=O)C2CCC2)n1 ZINC000263204793 139328163 /nfs/dbraw/zinc/32/81/63/139328163.db2.gz JPJRNVZZVXRQTC-VXGBXAGGSA-N 1 0 337.449 1.020 10 0 EDAERO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnn3ccccc23)ncn1 ZINC000171627091 533053215 /nfs/dbraw/zinc/05/32/15/533053215.db2.gz XQBRILMLAGPQKO-HNNXBMFYSA-N 1 0 337.431 1.925 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCOC[C@H]1CCOC1 ZINC000245416786 285235464 /nfs/dbraw/zinc/23/54/64/285235464.db2.gz IXGQEFIUWHGTEW-HZPDHXFCSA-N 1 0 327.469 1.555 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCO1 ZINC000154134598 224208340 /nfs/dbraw/zinc/20/83/40/224208340.db2.gz XFDXNBVNENIKCS-ZWKOTPCHSA-N 1 0 331.460 1.980 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Br)cn2)CCO1 ZINC000116792745 220993273 /nfs/dbraw/zinc/99/32/73/220993273.db2.gz MFRIPOZZRZSYMX-NSHDSACASA-N 1 0 328.210 1.247 10 0 EDAERO CC[C@@H]1CN(C(=O)Nc2ccc(=O)n(CC)c2)CC[N@@H+]1CCOC ZINC000117399220 221059973 /nfs/dbraw/zinc/05/99/73/221059973.db2.gz ODAKXENTAKDNJJ-OAHLLOKOSA-N 1 0 336.436 1.443 10 0 EDAERO CC[C@@H]1CN(C(=O)CNC(=O)CCC(C)C)CC[N@@H+]1CCOC ZINC000117308299 221050397 /nfs/dbraw/zinc/05/03/97/221050397.db2.gz SRQJBIFAHOFXHT-OAHLLOKOSA-N 1 0 327.469 1.108 10 0 EDAERO CC[C@@H]1CN(C(=O)NCCc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000117475999 221069065 /nfs/dbraw/zinc/06/90/65/221069065.db2.gz ISWDIBIXTMELKF-QGZVFWFLSA-N 1 0 349.475 1.990 10 0 EDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2cccc3cccnc32)CCO1 ZINC000117925096 221100619 /nfs/dbraw/zinc/10/06/19/221100619.db2.gz XDUJKNJRQSRAHJ-INIZCTEOSA-N 1 0 349.456 1.327 10 0 EDAERO CC(C)COc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000118824544 221190036 /nfs/dbraw/zinc/19/00/36/221190036.db2.gz JEDAGPJJVRKYFV-OAHLLOKOSA-N 1 0 336.436 1.911 10 0 EDAERO CCOCCN1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC000119443276 221321210 /nfs/dbraw/zinc/32/12/10/221321210.db2.gz 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CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000187339068 528541898 /nfs/dbraw/zinc/54/18/98/528541898.db2.gz LOZXFQUMKONPCM-OAHLLOKOSA-N 1 0 345.447 1.547 10 0 EDAERO CCCn1ncc(Br)c1C(=O)CN1CCC([NH3+])CC1 ZINC000164520764 528877827 /nfs/dbraw/zinc/87/78/27/528877827.db2.gz LWDVYNXKZCRUIM-UHFFFAOYSA-N 1 0 329.242 1.661 10 0 EDAERO CC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000181750040 529178685 /nfs/dbraw/zinc/17/86/85/529178685.db2.gz CESZUGVOMLUTCZ-DZGCQCFKSA-N 1 0 344.477 1.551 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000174095624 529229589 /nfs/dbraw/zinc/22/95/89/529229589.db2.gz QQGSNKRIYPJXFB-DOTOQJQBSA-N 1 0 325.497 1.555 10 0 EDAERO CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246272430 534921959 /nfs/dbraw/zinc/92/19/59/534921959.db2.gz HGTDLHCECKZUIP-ZFWWWQNUSA-N 1 0 333.432 1.479 10 0 EDAERO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262915855 535113889 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EDAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2nccs2)C[C@H]1CC ZINC000247207106 535608685 /nfs/dbraw/zinc/60/86/85/535608685.db2.gz PLFHHBWVQWBJLU-ZIAGYGMSSA-N 1 0 340.493 1.903 10 0 EDAERO CC[C@H]1CN([C@H](C)C(=O)Nc2nccs2)CC[N@@H+]1CCOC ZINC000247402854 536159323 /nfs/dbraw/zinc/15/93/23/536159323.db2.gz YRZCYRCPZICVLI-OLZOCXBDSA-N 1 0 326.466 1.513 10 0 EDAERO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)oc1C ZINC000246639408 536581289 /nfs/dbraw/zinc/58/12/89/536581289.db2.gz ZFPHIPOEVHTANJ-PWSUYJOCSA-N 1 0 342.417 1.232 10 0 EDAERO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247650707 536721616 /nfs/dbraw/zinc/72/16/16/536721616.db2.gz WNOVWGSLTFQXIZ-LBPRGKRZSA-N 1 0 342.392 1.081 10 0 EDAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cnc3ccnn3c2)C[C@@H]1CC ZINC000888921642 590741635 /nfs/dbraw/zinc/74/16/35/590741635.db2.gz CCDDDDJGNZMYOW-HNNXBMFYSA-N 1 0 346.435 1.694 10 0 EDAERO CC[C@@H]1CN(Cn2nc(N(C)C)sc2=S)CC[N@@H+]1CCOC ZINC000117325030 595629351 /nfs/dbraw/zinc/62/93/51/595629351.db2.gz XKJXHDOPCIDXTQ-GFCCVEGCSA-N 1 0 345.538 1.740 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cccnc2Cl)CC1 ZINC000118857391 596297789 /nfs/dbraw/zinc/29/77/89/596297789.db2.gz UMRFCHZURVYUNT-GFCCVEGCSA-N 1 0 326.828 1.062 10 0 EDAERO Cc1cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000133736518 597997099 /nfs/dbraw/zinc/99/70/99/597997099.db2.gz VLHQSITWJITNGE-SNVBAGLBSA-N 1 0 333.251 1.645 10 0 EDAERO OCCn1c2ccccc2nc1N1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077437149 703736815 /nfs/dbraw/zinc/73/68/15/703736815.db2.gz WIIQSQKNSISZCZ-IBGZPJMESA-N 1 0 344.459 1.456 10 0 EDAERO CCNc1ncc(Br)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000050779945 214069903 /nfs/dbraw/zinc/06/99/03/214069903.db2.gz LOXRGYPPHZCKRM-VIFPVBQESA-N 1 0 329.242 1.956 10 0 EDAERO CNc1ncc(Br)cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000050790639 214070921 /nfs/dbraw/zinc/07/09/21/214070921.db2.gz BVMQMUNOCVXBQT-UHFFFAOYSA-N 1 0 329.242 1.956 10 0 EDAERO COC[C@H](C)NC(=O)COc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000052066774 214114398 /nfs/dbraw/zinc/11/43/98/214114398.db2.gz OSXYPAFOEKCVBL-VHSXEESVSA-N 1 0 345.237 1.999 10 0 EDAERO COCCNC(=O)COc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000052066690 214114464 /nfs/dbraw/zinc/11/44/64/214114464.db2.gz RQVJCICJXGAWPC-VIFPVBQESA-N 1 0 331.210 1.610 10 0 EDAERO C[NH2+][C@H](C)c1cc(Br)ccc1OCC(=O)NCCOC ZINC000052067171 214114973 /nfs/dbraw/zinc/11/49/73/214114973.db2.gz TZENLLAZLVHETR-SNVBAGLBSA-N 1 0 345.237 1.871 10 0 EDAERO C[NH2+]CCc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000053296527 214175479 /nfs/dbraw/zinc/17/54/79/214175479.db2.gz LOVCAXOYMRXZCY-UHFFFAOYSA-N 1 0 325.459 1.822 10 0 EDAERO Cc1c(N)cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000053205688 214169861 /nfs/dbraw/zinc/16/98/61/214169861.db2.gz JLMTUXLXCLKBRN-LLVKDONJSA-N 1 0 331.869 1.945 10 0 EDAERO O=C(CCOc1ccc(Br)cc1F)N1CC[NH2+]CC1 ZINC000053299604 214176449 /nfs/dbraw/zinc/17/64/49/214176449.db2.gz FWMWQLBVUDEBRV-UHFFFAOYSA-N 1 0 331.185 1.789 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C(N)=O)c1 ZINC000173874086 529406010 /nfs/dbraw/zinc/40/60/10/529406010.db2.gz YJKDJCITDTXSTE-HZPDHXFCSA-N 1 0 330.432 1.554 10 0 EDAERO Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000175061957 231378271 /nfs/dbraw/zinc/37/82/71/231378271.db2.gz URWPLAAEPOFPDU-CYBMUJFWSA-N 1 0 337.395 1.036 10 0 EDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000049736607 214029977 /nfs/dbraw/zinc/02/99/77/214029977.db2.gz NLDXOCJKFBADJJ-AWEZNQCLSA-N 1 0 328.482 1.815 10 0 EDAERO CCc1csc(CNC(=O)c2ccc(N3CC[C@H]([NH3+])C3)nc2)n1 ZINC000067725104 529684652 /nfs/dbraw/zinc/68/46/52/529684652.db2.gz SOLSDBKGXRIJKW-LBPRGKRZSA-N 1 0 331.445 1.568 10 0 EDAERO CN1CCN([C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000104898329 282263153 /nfs/dbraw/zinc/26/31/53/282263153.db2.gz SEZHPMMLIKLLBF-ROUUACIJSA-N 1 0 330.476 1.138 10 0 EDAERO CCc1nn(C)c(CS(=O)(=O)CC[C@@H](C)[NH3+])c1Br ZINC000166867221 529766823 /nfs/dbraw/zinc/76/68/23/529766823.db2.gz GTZOLTZTOGGBGQ-MRVPVSSYSA-N 1 0 338.271 1.397 10 0 EDAERO C[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1)C1C[NH2+]C1 ZINC000262389758 295713015 /nfs/dbraw/zinc/71/30/15/295713015.db2.gz OBPYDIXMCOLNHZ-DLBZAZTESA-N 1 0 345.487 1.591 10 0 EDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1csc(Br)n1 ZINC000725258782 539396232 /nfs/dbraw/zinc/39/62/32/539396232.db2.gz ZQZDXVKNMDFTHE-UHFFFAOYSA-N 1 0 328.195 1.499 10 0 EDAERO CN(c1ncc(I)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000159162348 530038517 /nfs/dbraw/zinc/03/85/17/530038517.db2.gz VRWIJOZLNROSBY-ZACCUICWSA-N 1 0 344.200 1.800 10 0 EDAERO COCC[C@H](C)NC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000102024019 219180814 /nfs/dbraw/zinc/18/08/14/219180814.db2.gz LNDRHOLYXJJALP-YOEHRIQHSA-N 1 0 335.448 1.130 10 0 EDAERO CN(C)c1cccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000152073504 539793967 /nfs/dbraw/zinc/79/39/67/539793967.db2.gz PPSLJTIUAIDZNA-QGZVFWFLSA-N 1 0 326.444 1.937 10 0 EDAERO CN(c1ncnc(-n2cnc3ccccc32)c1N)C1CC[NH+](C)CC1 ZINC000040800793 213388989 /nfs/dbraw/zinc/38/89/89/213388989.db2.gz PLINZQPTATZXJO-UHFFFAOYSA-N 1 0 337.431 1.928 10 0 EDAERO CC(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2N)C1 ZINC000040621138 213359205 /nfs/dbraw/zinc/35/92/05/213359205.db2.gz QDJKPQDLXQXQIC-LLVKDONJSA-N 1 0 331.869 1.931 10 0 EDAERO Cc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1C(=O)N(C)C ZINC000181227752 234125025 /nfs/dbraw/zinc/12/50/25/234125025.db2.gz KKEVTCZHVUAPED-OAHLLOKOSA-N 1 0 348.447 1.491 10 0 EDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000181248168 234130965 /nfs/dbraw/zinc/13/09/65/234130965.db2.gz KZJZSOJRGYAJKQ-WBVHZDCISA-N 1 0 329.444 1.286 10 0 EDAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177072654 540103563 /nfs/dbraw/zinc/10/35/63/540103563.db2.gz SBBAUVWOLYVBRD-SWLSCSKDSA-N 1 0 339.461 1.101 10 0 EDAERO C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)CS(C)(=O)=O ZINC000182195600 540130717 /nfs/dbraw/zinc/13/07/17/540130717.db2.gz CNBAFJVWVJRIQE-VXGBXAGGSA-N 1 0 333.475 1.421 10 0 EDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)C(C)C ZINC000183649326 540139008 /nfs/dbraw/zinc/13/90/08/540139008.db2.gz NQCOMHZYRIBCJH-OAHLLOKOSA-N 1 0 349.460 1.292 10 0 EDAERO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000076074991 138247135 /nfs/dbraw/zinc/24/71/35/138247135.db2.gz HTVCORIGTJSVCY-IPMKNSEASA-N 1 0 334.460 1.268 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000079100851 138260295 /nfs/dbraw/zinc/26/02/95/138260295.db2.gz DEMLDFYJNMDYBJ-SJORKVTESA-N 1 0 342.528 1.619 10 0 EDAERO CN1CCO[C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000104779743 138300543 /nfs/dbraw/zinc/30/05/43/138300543.db2.gz DQWGZDWNZMGKJL-MRXNPFEDSA-N 1 0 326.485 1.271 10 0 EDAERO CC(C)CNC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117467858 138312265 /nfs/dbraw/zinc/31/22/65/138312265.db2.gz GDSUYKAZBWNMDM-MRXNPFEDSA-N 1 0 326.485 1.079 10 0 EDAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1 ZINC000121376715 138317535 /nfs/dbraw/zinc/31/75/35/138317535.db2.gz HBOJJVLAPBDYMO-AWEZNQCLSA-N 1 0 334.468 1.659 10 0 EDAERO CCN(C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)[C@@H](C)CS(C)(=O)=O ZINC000124191488 138324607 /nfs/dbraw/zinc/32/46/07/138324607.db2.gz CDFMGSNZOZSUKO-LSDHHAIUSA-N 1 0 347.525 1.571 10 0 EDAERO CC(C)[NH2+][C@@H](C(N)=O)c1cc(Br)c2c(c1)OCCO2 ZINC000037869287 213171724 /nfs/dbraw/zinc/17/17/24/213171724.db2.gz FQCLIWLKICXZFW-LLVKDONJSA-N 1 0 329.194 1.745 10 0 EDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000131738221 138365389 /nfs/dbraw/zinc/36/53/89/138365389.db2.gz SBZVHVXOWTUOGG-HNNXBMFYSA-N 1 0 346.435 1.788 10 0 EDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000132018215 138370237 /nfs/dbraw/zinc/37/02/37/138370237.db2.gz VRXDINSHLXSYIV-OALUTQOASA-N 1 0 347.503 1.980 10 0 EDAERO C[NH+](C)CCn1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000132702149 138381569 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COc1cccc(OCCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172608537 442502972 /nfs/dbraw/zinc/50/29/72/442502972.db2.gz USLQWUZROCIEHZ-OAHLLOKOSA-N 1 0 333.432 1.954 10 0 EDAERO CCOCC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191583358 442469918 /nfs/dbraw/zinc/46/99/18/442469918.db2.gz BGZCRSINRBJJGT-AWEZNQCLSA-N 1 0 328.453 1.678 10 0 EDAERO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000178776140 442481645 /nfs/dbraw/zinc/48/16/45/442481645.db2.gz IOKSBPGDXWAYBZ-QGZVFWFLSA-N 1 0 345.443 1.320 10 0 EDAERO CC(C)NC(=O)C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191986009 442554717 /nfs/dbraw/zinc/55/47/17/442554717.db2.gz FIEYCOVOOSFROD-UHFFFAOYSA-N 1 0 327.469 1.249 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000172658257 442517121 /nfs/dbraw/zinc/51/71/21/442517121.db2.gz OBIVYCOZEFTJLU-PNIPZHNDSA-N 1 0 349.500 1.813 10 0 EDAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C12CCOCC2 ZINC000186363207 442519907 /nfs/dbraw/zinc/51/99/07/442519907.db2.gz 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CCC[C@H](C[NH3+])N1CCN(c2ncc(Br)cn2)CC1 ZINC000104380896 219382262 /nfs/dbraw/zinc/38/22/62/219382262.db2.gz ODPIJFGYNIGQEB-GFCCVEGCSA-N 1 0 328.258 1.489 10 0 EDAERO Cn1cnc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1Cl ZINC000040691157 213369095 /nfs/dbraw/zinc/36/90/95/213369095.db2.gz SIJUHINTOCWRQF-UHFFFAOYSA-N 1 0 334.873 1.661 10 0 EDAERO COCC[NH+]1CCN(Cc2cc(N)ccc2Br)CC1 ZINC000675056338 539847838 /nfs/dbraw/zinc/84/78/38/539847838.db2.gz IAZJXAIFDZQPFP-UHFFFAOYSA-N 1 0 328.254 1.795 10 0 EDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000181248138 234130769 /nfs/dbraw/zinc/13/07/69/234130769.db2.gz KZJZSOJRGYAJKQ-RDJZCZTQSA-N 1 0 329.444 1.286 10 0 EDAERO O=C1CCCN1C[C@H](O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000156017787 539935354 /nfs/dbraw/zinc/93/53/54/539935354.db2.gz NFLGPAYILNTJKE-ROUUACIJSA-N 1 0 332.444 1.243 10 0 EDAERO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000127723762 222874510 /nfs/dbraw/zinc/87/45/10/222874510.db2.gz 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1.329 10 0 EDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000124249734 138325194 /nfs/dbraw/zinc/32/51/94/138325194.db2.gz BARLOBXEZCTWKZ-ZIAGYGMSSA-N 1 0 333.498 1.181 10 0 EDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCOC[C@H]1CCOC1 ZINC000125489219 138334430 /nfs/dbraw/zinc/33/44/30/138334430.db2.gz FUYXCOODFQLDLY-MSOLQXFVSA-N 1 0 334.460 1.719 10 0 EDAERO COc1cc(C[NH3+])cc(Br)c1OCCC(=O)N(C)C ZINC000037897715 213172952 /nfs/dbraw/zinc/17/29/52/213172952.db2.gz KHPAFHRJDYMARO-UHFFFAOYSA-N 1 0 331.210 1.774 10 0 EDAERO CC(C)(NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(Br)cc1 ZINC000037004741 213130186 /nfs/dbraw/zinc/13/01/86/213130186.db2.gz AGLNTWBCTMTHHO-RYUDHWBXSA-N 1 0 327.222 1.523 10 0 EDAERO CCCNC(=O)COc1c(Br)cc(C[NH3+])cc1OC ZINC000036814923 213119919 /nfs/dbraw/zinc/11/99/19/213119919.db2.gz JGJCOTKVOQMNCH-UHFFFAOYSA-N 1 0 331.210 1.821 10 0 EDAERO COc1ccc(Br)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2OC)c1 ZINC000036235560 213077460 /nfs/dbraw/zinc/07/74/60/213077460.db2.gz AMJDWPRYECSUPH-RYUDHWBXSA-N 1 0 329.194 1.174 10 0 EDAERO CCC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(OC)cc1 ZINC000036102056 213067666 /nfs/dbraw/zinc/06/76/66/213067666.db2.gz BYKUNWRRWBKSTC-SFHVURJKSA-N 1 0 336.476 1.990 10 0 EDAERO COc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCC2)cc1OC ZINC000036091265 213062140 /nfs/dbraw/zinc/06/21/40/213062140.db2.gz TWOIUDMAFBRRAK-UHFFFAOYSA-N 1 0 342.461 1.857 10 0 EDAERO Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)[NH3+])ccc12 ZINC000035999756 213054553 /nfs/dbraw/zinc/05/45/53/213054553.db2.gz KWBQMDXXCSNTMD-FZMZJTMJSA-N 1 0 343.383 1.378 10 0 EDAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181470311 138768938 /nfs/dbraw/zinc/76/89/38/138768938.db2.gz BCGJAOHANCPOHP-ZIAGYGMSSA-N 1 0 336.484 1.746 10 0 EDAERO O[C@@H](C[NH2+]C1CC1)COc1cccc(I)c1 ZINC000036951263 213127501 /nfs/dbraw/zinc/12/75/01/213127501.db2.gz AAUZHBFYKXSLKU-NSHDSACASA-N 1 0 333.169 1.783 10 0 EDAERO C[NH+](C)CCN1C[C@@]2(CCCN(c3ccncc3F)C2)CCC1=O ZINC000072429981 216221834 /nfs/dbraw/zinc/22/18/34/216221834.db2.gz OUTAOLUWRKQKMC-SFHVURJKSA-N 1 0 334.439 1.991 10 0 EDAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000185393368 138804629 /nfs/dbraw/zinc/80/46/29/138804629.db2.gz TYKWXISPEVEDGB-SQNIBIBYSA-N 1 0 337.508 1.532 10 0 EDAERO Cc1nn2c(nnc3c(=O)n(CC[NH+](C)C)cnc32)c1-c1ccccc1 ZINC000072449862 216239037 /nfs/dbraw/zinc/23/90/37/216239037.db2.gz KCMBVLFAXCNHPE-UHFFFAOYSA-N 1 0 349.398 1.371 10 0 EDAERO C[C@](C[NH3+])(NS(=O)(=O)c1sccc1Br)C1CC1 ZINC000130358367 223146653 /nfs/dbraw/zinc/14/66/53/223146653.db2.gz NAYZNQQWTDWIIH-SNVBAGLBSA-N 1 0 339.280 1.916 10 0 EDAERO COCCn1c(C)cc(C(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000131510703 223242431 /nfs/dbraw/zinc/24/24/31/223242431.db2.gz SYWACIVUXFYIDZ-MRXNPFEDSA-N 1 0 337.464 1.196 10 0 EDAERO Cc1cccc(Cl)c1NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000131612238 223250204 /nfs/dbraw/zinc/25/02/04/223250204.db2.gz MHJAEIYTJDVING-ZDUSSCGKSA-N 1 0 325.840 1.849 10 0 EDAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000038050185 213198456 /nfs/dbraw/zinc/19/84/56/213198456.db2.gz VOQSAEAVPVORPZ-RYUDHWBXSA-N 1 0 333.251 1.997 10 0 EDAERO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000193297031 138965916 /nfs/dbraw/zinc/96/59/16/138965916.db2.gz YWJUJMQVVOAXJE-NSHDSACASA-N 1 0 333.251 1.869 10 0 EDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000195235538 139010892 /nfs/dbraw/zinc/01/08/92/139010892.db2.gz WHWLYDVNQLJFQG-YESZJQIVSA-N 1 0 335.423 1.828 10 0 EDAERO CCCCOC[C@@H](O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000195176087 139009039 /nfs/dbraw/zinc/00/90/39/139009039.db2.gz BFIQAHWVISZUGX-ROUUACIJSA-N 1 0 327.513 1.266 10 0 EDAERO O=C(COc1ccc2ccc(=O)oc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195309799 139013606 /nfs/dbraw/zinc/01/36/06/139013606.db2.gz DBIQQMLEBADMJU-AWEZNQCLSA-N 1 0 328.368 1.478 10 0 EDAERO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000195503269 139018289 /nfs/dbraw/zinc/01/82/89/139018289.db2.gz 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328.401 1.831 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@@H]2Sc3ccccc3NC2=O)n1 ZINC000263304852 139334677 /nfs/dbraw/zinc/33/46/77/139334677.db2.gz XRJAKNPXEBMKTO-YPMHNXCESA-N 1 0 345.428 1.301 10 0 EDAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000112743056 220394241 /nfs/dbraw/zinc/39/42/41/220394241.db2.gz WUMUPVPWZYTPPZ-CABCVRRESA-N 1 0 334.468 1.403 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000176992722 285236876 /nfs/dbraw/zinc/23/68/76/285236876.db2.gz FFCRDFGVEDLEAQ-JFIYKMOQSA-N 1 0 344.459 1.544 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1SCC(N)=O ZINC000177028416 285239144 /nfs/dbraw/zinc/23/91/44/285239144.db2.gz GXKDUSUVXCNFDQ-CYBMUJFWSA-N 1 0 335.473 1.820 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2nc3ccccc3s2)CCO1 ZINC000117023229 221023058 /nfs/dbraw/zinc/02/30/58/221023058.db2.gz RHXCTZWUHPCCCK-GFCCVEGCSA-N 1 0 334.445 1.768 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)NCCc2ccc(Cl)s2)CCO1 ZINC000117035279 221024721 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/nfs/dbraw/zinc/31/84/93/578318493.db2.gz IWIVATSWQCNRFC-XLIONFOSSA-N 1 0 331.504 1.943 10 0 EDAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ocnc1C1CC1)C2 ZINC000888094577 591024440 /nfs/dbraw/zinc/02/44/40/591024440.db2.gz CGCKDUMSMHULQB-ZHCAMHROSA-N 1 0 333.432 1.762 10 0 EDAERO Cc1cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)n1C ZINC000888095496 591025919 /nfs/dbraw/zinc/02/59/19/591025919.db2.gz ZQQWEOYDQDEDBI-YWTNHNAXSA-N 1 0 333.476 1.851 10 0 EDAERO CC[C@@H]1CN(C(=O)Nc2cc3ccccc3nn2)CC[N@@H+]1C[C@@H](C)O ZINC000888607844 597052859 /nfs/dbraw/zinc/05/28/59/597052859.db2.gz ADPIZOVHXPMHIX-UKRRQHHQSA-N 1 0 343.431 1.939 10 0 EDAERO CCOCC[N@@H+]1CCN(CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000154812153 697207579 /nfs/dbraw/zinc/20/75/79/697207579.db2.gz YIXQSPDQGZOZDK-LBPRGKRZSA-N 1 0 325.375 1.098 10 0 EDAERO CC(=O)N(c1nn(CN2CC[C@H]([NH+](C)C)C2)c(=S)s1)C1CC1 ZINC000170842865 697782991 /nfs/dbraw/zinc/78/29/91/697782991.db2.gz WZDOSYQFWYPJQN-LBPRGKRZSA-N 1 0 341.506 1.783 10 0 EDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000175667004 697812933 /nfs/dbraw/zinc/81/29/33/697812933.db2.gz LOOWTCCVTNINRL-LBPRGKRZSA-N 1 0 328.457 1.635 10 0 EDAERO CC(C)(O)c1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000185948276 700448643 /nfs/dbraw/zinc/44/86/43/700448643.db2.gz GJGZLPRQPHPOQJ-KRWDZBQOSA-N 1 0 349.475 1.560 10 0 EDAERO NNc1[nH+]cc(Br)cc1C(=O)NCC[C@H]1CCCO1 ZINC000051119814 214078601 /nfs/dbraw/zinc/07/86/01/214078601.db2.gz XHDBJWRMWOLVAE-SECBINFHSA-N 1 0 329.198 1.429 10 0 EDAERO CNC(=O)CCOc1c(Br)cc(C[NH2+]C)cc1OC ZINC000051757377 214101749 /nfs/dbraw/zinc/10/17/49/214101749.db2.gz XPBQTFXOLGFGNL-UHFFFAOYSA-N 1 0 331.210 1.692 10 0 EDAERO NC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000052961209 214157518 /nfs/dbraw/zinc/15/75/18/214157518.db2.gz UTBWWRSAMKTTFZ-GOSISDBHSA-N 1 0 343.471 1.665 10 0 EDAERO CCN(C)CC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000054112251 214217075 /nfs/dbraw/zinc/21/70/75/214217075.db2.gz XFSLDQKUYAKXAT-CYBMUJFWSA-N 1 0 331.254 1.730 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2cncn2)c1 ZINC000175039646 529406270 /nfs/dbraw/zinc/40/62/70/529406270.db2.gz CYIIRYVJDULGBZ-NVXWUHKLSA-N 1 0 325.416 1.966 10 0 EDAERO CCc1nn(C)c(CC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1Br ZINC000168506339 529764553 /nfs/dbraw/zinc/76/45/53/529764553.db2.gz DKZWUAHJSIZAJT-GWCFXTLKSA-N 1 0 330.226 1.220 10 0 EDAERO Cc1cc(C)n2ncc(C[N@H+]3CC[C@@]4(C3)CCCN(C)C4=O)c2n1 ZINC000067885640 215240990 /nfs/dbraw/zinc/24/09/90/215240990.db2.gz XMDSSYTWTCMNBT-GOSISDBHSA-N 1 0 327.432 1.790 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000068223489 215290711 /nfs/dbraw/zinc/29/07/11/215290711.db2.gz SHEDKJPHYYFCRT-CHWSQXEVSA-N 1 0 340.493 1.940 10 0 EDAERO CC(C)OC1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000152038302 539792564 /nfs/dbraw/zinc/79/25/64/539792564.db2.gz SAZXQZXPHVBUBO-GPANFISMSA-N 1 0 327.469 1.695 10 0 EDAERO CCCOc1ccc(Cl)cc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000040861575 213394795 /nfs/dbraw/zinc/39/47/95/213394795.db2.gz CAOSRBHRQLVXLE-UHFFFAOYSA-N 1 0 333.841 1.691 10 0 EDAERO C[C@@H](CC(=O)N1CC[C@](C)(C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000262082197 295827647 /nfs/dbraw/zinc/82/76/47/295827647.db2.gz TXARBKRMNBVBFP-BLLLJJGKSA-N 1 0 342.436 1.575 10 0 EDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2I)C1 ZINC000040631320 213361513 /nfs/dbraw/zinc/36/15/13/213361513.db2.gz WKNRSWWJAHGTTK-KCJUWKMLSA-N 1 0 346.168 1.607 10 0 EDAERO [NH3+]CCCCNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000181048443 234070036 /nfs/dbraw/zinc/07/00/36/234070036.db2.gz JIOYRXOBRAMRCS-UHFFFAOYSA-N 1 0 349.456 1.363 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCO1 ZINC000181203296 234117010 /nfs/dbraw/zinc/11/70/10/234117010.db2.gz AANXTOBEHQYVQL-OAHLLOKOSA-N 1 0 346.431 1.756 10 0 EDAERO CN(C)C(=O)CC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000182192220 234492698 /nfs/dbraw/zinc/49/26/98/234492698.db2.gz OUGDYYJORFYROO-SFHVURJKSA-N 1 0 334.460 1.754 10 0 EDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000183183450 540136166 /nfs/dbraw/zinc/13/61/66/540136166.db2.gz ZKCSGXKFNSQKOC-JYJNAYRXSA-N 1 0 332.448 1.276 10 0 EDAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000184935719 540146290 /nfs/dbraw/zinc/14/62/90/540146290.db2.gz ABGBYQVBLJFPGU-HZPDHXFCSA-N 1 0 340.489 1.468 10 0 EDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000183665322 540140251 /nfs/dbraw/zinc/14/02/51/540140251.db2.gz MHFATRKPXXQKRH-MEDUHNTESA-N 1 0 341.402 1.844 10 0 EDAERO O=C(Nc1cc(C(F)(F)F)ccn1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193477004 540183274 /nfs/dbraw/zinc/18/32/74/540183274.db2.gz BXPKXXNFNCKDTQ-LLVKDONJSA-N 1 0 342.321 1.346 10 0 EDAERO Cn1ncc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1N ZINC000386378633 540190037 /nfs/dbraw/zinc/19/00/37/540190037.db2.gz SWOJQMDGMAYUPE-BHYGNILZSA-N 1 0 339.443 1.643 10 0 EDAERO CCS(=O)(=O)c1cc(F)ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184285279 235355758 /nfs/dbraw/zinc/35/57/58/235355758.db2.gz LUXYZNMQXNAVMQ-LBPRGKRZSA-N 1 0 343.424 1.787 10 0 EDAERO NS(=O)(=O)c1ccc(NC2CC[NH2+]CC2)c(Br)c1 ZINC000038041376 213197572 /nfs/dbraw/zinc/19/75/72/213197572.db2.gz DOWPYQASMOSSBD-UHFFFAOYSA-N 1 0 334.239 1.260 10 0 EDAERO C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCO1 ZINC000079180872 138260786 /nfs/dbraw/zinc/26/07/86/138260786.db2.gz SXVSARPFWAJYHY-RHSMWYFYSA-N 1 0 335.448 1.994 10 0 EDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)Nc3ccncc3)CC2)C1 ZINC000117399444 138312359 /nfs/dbraw/zinc/31/23/59/138312359.db2.gz FSDNKGLYKSIZCF-QGZVFWFLSA-N 1 0 347.463 1.340 10 0 EDAERO Cn1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000121069618 138316945 /nfs/dbraw/zinc/31/69/45/138316945.db2.gz NIRZVKJAUZHTKJ-KRWDZBQOSA-N 1 0 327.432 1.389 10 0 EDAERO C[C@@H]1C[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)C[N@@H+]1C1CC1 ZINC000129942163 138339204 /nfs/dbraw/zinc/33/92/04/138339204.db2.gz MVKLARAGMXZBKF-HIFRSBDPSA-N 1 0 331.464 1.934 10 0 EDAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(I)c1 ZINC000036236045 213079061 /nfs/dbraw/zinc/07/90/61/213079061.db2.gz RFRYQDFEPZTSLE-MNOVXSKESA-N 1 0 346.168 1.008 10 0 EDAERO Cc1ccc(C(N)=S)cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000070431580 215690341 /nfs/dbraw/zinc/69/03/41/215690341.db2.gz BQBOMEDVGGZVOH-NSHDSACASA-N 1 0 329.491 1.248 10 0 EDAERO Cc1nc(C)c(CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000108586188 219904766 /nfs/dbraw/zinc/90/47/66/219904766.db2.gz MEDFFQHULZSLFT-CQSZACIVSA-N 1 0 340.493 1.448 10 0 EDAERO CCN(C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1)S(C)(=O)=O ZINC000109010746 219940736 /nfs/dbraw/zinc/94/07/36/219940736.db2.gz BDFGHUFFOCGAGT-QGZVFWFLSA-N 1 0 340.489 1.640 10 0 EDAERO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)CC1 ZINC000132648547 223350962 /nfs/dbraw/zinc/35/09/62/223350962.db2.gz VGMWNGQHHQPHLA-OAHLLOKOSA-N 1 0 344.459 1.539 10 0 EDAERO Cc1ccc(CN2C[C@H](C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2=O)cc1 ZINC000195309424 139013202 /nfs/dbraw/zinc/01/32/02/139013202.db2.gz NDYCFAWRAQVGIJ-QZTJIDSGSA-N 1 0 341.455 1.650 10 0 EDAERO O=C(CSc1nnnn1C1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195324854 139014344 /nfs/dbraw/zinc/01/43/44/139014344.db2.gz BJVCZUHFCYMVBE-CYBMUJFWSA-N 1 0 336.465 1.187 10 0 EDAERO CCn1cc(C2CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC2)cn1 ZINC000195499616 139018327 /nfs/dbraw/zinc/01/83/27/139018327.db2.gz HGKLUCDQUXYBJZ-CYBMUJFWSA-N 1 0 335.452 1.705 10 0 EDAERO C[C@H](NS(=O)(=O)CCN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000049646051 214024074 /nfs/dbraw/zinc/02/40/74/214024074.db2.gz GMARTFFYTXMYKV-LBPRGKRZSA-N 1 0 331.869 1.226 10 0 EDAERO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515614 139018823 /nfs/dbraw/zinc/01/88/23/139018823.db2.gz HOJCFUYZJMHQEX-AWEZNQCLSA-N 1 0 333.436 1.297 10 0 EDAERO C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1[NH3+] ZINC000235335038 139025986 /nfs/dbraw/zinc/02/59/86/139025986.db2.gz AHRRWHWIPYUMIM-RISCZKNCSA-N 1 0 340.265 1.687 10 0 EDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000236913790 139034984 /nfs/dbraw/zinc/03/49/84/139034984.db2.gz MVGSYTXZGKJUJV-CQSZACIVSA-N 1 0 333.432 2.000 10 0 EDAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000238043866 139067370 /nfs/dbraw/zinc/06/73/70/139067370.db2.gz QEQJXFKXFGNRRN-ROUUACIJSA-N 1 0 331.460 1.653 10 0 EDAERO COC(=O)c1cccc([C@H](C(=O)OC)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246097797 139094895 /nfs/dbraw/zinc/09/48/95/139094895.db2.gz MMPGXCFNZDDPTK-DLBZAZTESA-N 1 0 346.427 1.857 10 0 EDAERO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246116552 139095484 /nfs/dbraw/zinc/09/54/84/139095484.db2.gz KQWJEAFBVRYGKG-RISCZKNCSA-N 1 0 329.404 1.692 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000246151949 139096848 /nfs/dbraw/zinc/09/68/48/139096848.db2.gz ZTLOWVDVCJUSCI-CJNGLKHVSA-N 1 0 326.404 1.968 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000246264568 139101677 /nfs/dbraw/zinc/10/16/77/139101677.db2.gz RJHTZVFNXNKBMX-IUODEOHRSA-N 1 0 339.461 1.940 10 0 EDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)C1 ZINC000246268733 139101738 /nfs/dbraw/zinc/10/17/38/139101738.db2.gz AERDUIRXVJAEHM-FUHWJXTLSA-N 1 0 345.491 1.638 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000246499048 139110930 /nfs/dbraw/zinc/11/09/30/139110930.db2.gz WNFKBPZJAVGLHF-SJORKVTESA-N 1 0 338.496 1.367 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000246532736 139111983 /nfs/dbraw/zinc/11/19/83/139111983.db2.gz UWSSCHFUKBBGHY-IAQYHMDHSA-N 1 0 347.398 1.652 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C(N)=O)c1 ZINC000246544374 139112332 /nfs/dbraw/zinc/11/23/32/139112332.db2.gz YJKDJCITDTXSTE-CVEARBPZSA-N 1 0 330.432 1.554 10 0 EDAERO C[C@H](O)CN1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246599445 139114623 /nfs/dbraw/zinc/11/46/23/139114623.db2.gz BGTICUPDKOJXGL-RYRKJORJSA-N 1 0 333.476 1.073 10 0 EDAERO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2F)C[C@H]1N1CCOCC1 ZINC000246614600 139115031 /nfs/dbraw/zinc/11/50/31/139115031.db2.gz YIHVJKATMBWIPR-MAUKXSAKSA-N 1 0 349.450 1.437 10 0 EDAERO CN1CCO[C@H](C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000246664640 139116809 /nfs/dbraw/zinc/11/68/09/139116809.db2.gz JFIHWYCPFUVXHP-HIFRSBDPSA-N 1 0 337.851 1.756 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCOC[C@H]2CCCO2)C1 ZINC000246720468 139118681 /nfs/dbraw/zinc/11/86/81/139118681.db2.gz ACOSHNMBIXUFAF-BZUAXINKSA-N 1 0 327.469 1.600 10 0 EDAERO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000173829359 284524010 /nfs/dbraw/zinc/52/40/10/284524010.db2.gz DWTHSIDNMVLUNC-CABCVRRESA-N 1 0 326.485 1.759 10 0 EDAERO CCOc1ccc(NC(=O)CCN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000246959471 139128603 /nfs/dbraw/zinc/12/86/03/139128603.db2.gz OCMBAPOJOUBNFU-JKSUJKDBSA-N 1 0 349.475 1.801 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000247116037 139136213 /nfs/dbraw/zinc/13/62/13/139136213.db2.gz YPFHXQXGERUARI-PBHICJAKSA-N 1 0 338.411 1.750 10 0 EDAERO CC[C@H]1CN(C[C@@H](O)COc2cccc(C)c2)CC[N@@H+]1CCOC ZINC000247131036 139136991 /nfs/dbraw/zinc/13/69/91/139136991.db2.gz KJYBWQLINFQWFP-ZWKOTPCHSA-N 1 0 336.476 1.777 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)Nc1ccccc1 ZINC000247227694 139141507 /nfs/dbraw/zinc/14/15/07/139141507.db2.gz MOXOZWIYLWGMPM-HOCLYGCPSA-N 1 0 330.432 1.893 10 0 EDAERO COC(=O)c1cccc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247252170 139142434 /nfs/dbraw/zinc/14/24/34/139142434.db2.gz NOMKWACCOXXOFM-BBRMVZONSA-N 1 0 331.416 1.580 10 0 EDAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247260987 139142850 /nfs/dbraw/zinc/14/28/50/139142850.db2.gz YMNVJNDLIFFFJC-PMPSAXMXSA-N 1 0 326.485 1.079 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)C(=O)NCc2ccco2)C1 ZINC000247357265 139145838 /nfs/dbraw/zinc/14/58/38/139145838.db2.gz OIJOWDQDZUUIFM-VNHYZAJKSA-N 1 0 336.436 1.312 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000247457591 139149039 /nfs/dbraw/zinc/14/90/39/139149039.db2.gz UCBHAVNGRIMYQV-NVXWUHKLSA-N 1 0 331.460 1.580 10 0 EDAERO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247584752 139152801 /nfs/dbraw/zinc/15/28/01/139152801.db2.gz ZHYITZIUYOHSGZ-UONOGXRCSA-N 1 0 341.415 1.946 10 0 EDAERO [NH3+]CCNC(=O)c1nc(Cn2c3ccccc3nc2C(F)F)no1 ZINC000012398395 211367322 /nfs/dbraw/zinc/36/73/22/211367322.db2.gz OMFHDRAHGUZYFG-UHFFFAOYSA-N 1 0 336.302 1.094 10 0 EDAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248578375 139168285 /nfs/dbraw/zinc/16/82/85/139168285.db2.gz HWDPGXZBCBBPHJ-RFGFWPKPSA-N 1 0 325.453 1.698 10 0 EDAERO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248897249 139179829 /nfs/dbraw/zinc/17/98/29/139179829.db2.gz XXCYZEZWSUEQOU-IUIKQTSFSA-N 1 0 346.410 1.161 10 0 EDAERO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249116714 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C[C@H]1CO[C@H](CO)CN1[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000167851676 226200880 /nfs/dbraw/zinc/20/08/80/226200880.db2.gz DASBOMPWGGQWNA-LSJOCFKGSA-N 1 0 335.267 1.592 10 0 EDAERO O=C(Cc1cc(Br)cc2c1OCC2)[C@@H]1C[NH2+]CCO1 ZINC000168296562 226212175 /nfs/dbraw/zinc/21/21/75/226212175.db2.gz YODNGALYDBVGBE-ZDUSSCGKSA-N 1 0 326.190 1.484 10 0 EDAERO C[C@H]([C@H](O)[C@@H](C[NH3+])c1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000169288587 226236629 /nfs/dbraw/zinc/23/66/29/226236629.db2.gz HDANITISJOAYNF-LWINAJNOSA-N 1 0 326.245 1.830 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC000171392517 227059549 /nfs/dbraw/zinc/05/95/49/227059549.db2.gz FZNOYWCHISMMTE-AWEZNQCLSA-N 1 0 344.415 1.062 10 0 EDAERO CCC[C@@H](C(=O)N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000122190967 222033751 /nfs/dbraw/zinc/03/37/51/222033751.db2.gz HZMCQOMRGKJOGR-HNNXBMFYSA-N 1 0 331.416 1.471 10 0 EDAERO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000151156206 287593094 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1.525 10 0 in-vitro EDAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012669762 441138583 /nfs/dbraw/zinc/13/85/83/441138583.db2.gz XQQVLTNIFBXICJ-CHWSQXEVSA-N 1 0 341.477 1.898 10 0 EDAERO CN(CC(=O)Nc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863105 441294723 /nfs/dbraw/zinc/29/47/23/441294723.db2.gz ZXHALCWKKPURIQ-UHFFFAOYSA-N 1 0 341.459 1.918 10 0 EDAERO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1OCC(=O)N1CCOCC1 ZINC000105438192 441256596 /nfs/dbraw/zinc/25/65/96/441256596.db2.gz WGBSQYJYBZONES-DZGCQCFKSA-N 1 0 334.416 1.431 10 0 EDAERO Cc1ccc(N2CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)CC2)nn1 ZINC000105800774 441273694 /nfs/dbraw/zinc/27/36/94/441273694.db2.gz LDDLOWKYNQASJO-UHFFFAOYSA-N 1 0 333.480 1.943 10 0 EDAERO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802616 441274573 /nfs/dbraw/zinc/27/45/73/441274573.db2.gz OTNGASKJWOTVIP-CYBMUJFWSA-N 1 0 348.451 1.002 10 0 EDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000105817839 441277734 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COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871802 441302014 /nfs/dbraw/zinc/30/20/14/441302014.db2.gz LFZWELDXPOLLEK-BFHYXJOUSA-N 1 0 343.431 1.457 10 0 EDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000105932712 441319521 /nfs/dbraw/zinc/31/95/21/441319521.db2.gz YNDCKGFKTKQOAM-RISCZKNCSA-N 1 0 345.365 1.953 10 0 EDAERO Cc1nc2n(n1)C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000106915884 441390232 /nfs/dbraw/zinc/39/02/32/441390232.db2.gz DASKATSWUAZZJI-HOTGVXAUSA-N 1 0 327.432 1.190 10 0 EDAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000106918162 441390271 /nfs/dbraw/zinc/39/02/71/441390271.db2.gz PUVOCXJRCVCPMF-XYJFISCASA-N 1 0 333.476 1.385 10 0 EDAERO Cc1cnn(C[C@@H]2CN(C(=O)NCC[NH+]3CCC(C)CC3)CCO2)c1 ZINC000112108161 441544997 /nfs/dbraw/zinc/54/49/97/441544997.db2.gz OOJDFLYTTJMRDN-KRWDZBQOSA-N 1 0 349.479 1.334 10 0 EDAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1F ZINC000088353273 441504837 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EDAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1nnc2n1CCCC2 ZINC000121422952 441702291 /nfs/dbraw/zinc/70/22/91/441702291.db2.gz RISHKQCADIEIQX-ZIAGYGMSSA-N 1 0 330.436 1.331 10 0 EDAERO CC[C@@H](CO)NC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173499520 441770547 /nfs/dbraw/zinc/77/05/47/441770547.db2.gz XKOKHRZXVUSGCC-ZWKOTPCHSA-N 1 0 349.475 1.502 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000173555251 441790183 /nfs/dbraw/zinc/79/01/83/441790183.db2.gz UJKLAWHFCFWZGB-ZACQAIPSSA-N 1 0 339.480 1.840 10 0 EDAERO Cn1cc([C@H]2CCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)C2)cn1 ZINC000116113244 441794119 /nfs/dbraw/zinc/79/41/19/441794119.db2.gz UMJQGKVYWAGNCT-WMZOPIPTSA-N 1 0 326.444 1.909 10 0 EDAERO Cc1nnc([C@H]2CN(CCC(=O)NCC3CCCCC3)CCO2)[nH]1 ZINC000173673950 441821026 /nfs/dbraw/zinc/82/10/26/441821026.db2.gz MFSOOICMBUMCMB-OAHLLOKOSA-N 1 0 335.452 1.573 10 0 EDAERO O=C(C[NH2+]C1CCCC1)N[C@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000143760581 441874767 /nfs/dbraw/zinc/87/47/67/441874767.db2.gz SLVLXZCCGMLFOQ-AWEZNQCLSA-N 1 0 342.447 1.575 10 0 EDAERO Cc1nn(-c2ccccc2)cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116785173 441843861 /nfs/dbraw/zinc/84/38/61/441843861.db2.gz FRSKJXLHXXFDLQ-MRXNPFEDSA-N 1 0 328.416 1.583 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCO1 ZINC000116785308 441844475 /nfs/dbraw/zinc/84/44/75/441844475.db2.gz RNRLHKVHQXCTJQ-LLVKDONJSA-N 1 0 345.212 1.991 10 0 EDAERO C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000077747239 441845492 /nfs/dbraw/zinc/84/54/92/441845492.db2.gz VVPRJEFPQQMKRZ-SUMWQHHRSA-N 1 0 344.459 1.680 10 0 EDAERO CCOc1ccc(C(=O)CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116796389 441849854 /nfs/dbraw/zinc/84/98/54/441849854.db2.gz JCHAWMHFZDCHMO-QGZVFWFLSA-N 1 0 348.443 1.837 10 0 EDAERO CCCn1cc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000173855225 441851176 /nfs/dbraw/zinc/85/11/76/441851176.db2.gz PRJIPWPWFNBDID-HNNXBMFYSA-N 1 0 330.436 1.620 10 0 EDAERO O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000141507168 441852158 /nfs/dbraw/zinc/85/21/58/441852158.db2.gz GWFTYRXJUGJCMW-AWEZNQCLSA-N 1 0 332.452 1.253 10 0 EDAERO CC[NH+](CC)[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000174304675 441910992 /nfs/dbraw/zinc/91/09/92/441910992.db2.gz ZAYZFNVEGUOONG-LMMKCTJWSA-N 1 0 347.503 1.983 10 0 EDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124411888 441924906 /nfs/dbraw/zinc/92/49/06/441924906.db2.gz FBLNXIPKYZSDRS-CABCVRRESA-N 1 0 334.468 1.841 10 0 EDAERO COC[C@H](C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000174042078 441882480 /nfs/dbraw/zinc/88/24/80/441882480.db2.gz BHFXCXKGTIYFNJ-HNNXBMFYSA-N 1 0 335.448 1.534 10 0 EDAERO CO[C@H](C)CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174856996 441976058 /nfs/dbraw/zinc/97/60/58/441976058.db2.gz AFNLHLHVDDDGPC-CRAIPNDOSA-N 1 0 334.460 1.973 10 0 EDAERO CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000174527508 441934652 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339.395 1.182 10 0 EDAERO O=C1NCCN(C[C@@H]2CCC[NH2+]C2)[C@H]1c1c(F)cccc1Cl ZINC000261764382 304671176 /nfs/dbraw/zinc/67/11/76/304671176.db2.gz DEVIIWOHQWDZND-ABAIWWIYSA-N 1 0 325.815 1.952 10 0 EDAERO CCN1C[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000391456966 303850829 /nfs/dbraw/zinc/85/08/29/303850829.db2.gz FJDAWBBRPDPQQG-UONOGXRCSA-N 1 0 325.453 1.844 10 0 EDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)N1CCCc2ccccc21 ZINC000098119841 441150163 /nfs/dbraw/zinc/15/01/63/441150163.db2.gz FQYTUDHVGSKTIX-HNNXBMFYSA-N 1 0 346.475 1.995 10 0 EDAERO C[NH+](C)C[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1 ZINC000047855394 441230939 /nfs/dbraw/zinc/23/09/39/441230939.db2.gz ZOVAWMQKOQNPCF-QGZVFWFLSA-N 1 0 348.491 1.699 10 0 EDAERO CN(CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)CC(F)(F)F ZINC000105147003 441238542 /nfs/dbraw/zinc/23/85/42/441238542.db2.gz XMQUQJCZEGYADF-CYBMUJFWSA-N 1 0 336.402 1.750 10 0 EDAERO CN1CCO[C@H](CNC(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000104777197 441207078 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EDAERO CCn1cc(C2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)cn1 ZINC000195501400 536035494 /nfs/dbraw/zinc/03/54/94/536035494.db2.gz IYFVSYMBPPCXQR-UHFFFAOYSA-N 1 0 333.436 1.413 10 0 EDAERO CCn1cc([C@@H]2CN(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)CCO2)cn1 ZINC000249206770 536089758 /nfs/dbraw/zinc/08/97/58/536089758.db2.gz BVQCWRCBZJWYDI-PVAVHDDUSA-N 1 0 349.479 1.715 10 0 EDAERO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247242585 536096634 /nfs/dbraw/zinc/09/66/34/536096634.db2.gz SKTLJFYDBATNCQ-RVKKMQEKSA-N 1 0 349.475 1.799 10 0 EDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000087141704 536160554 /nfs/dbraw/zinc/16/05/54/536160554.db2.gz ZZWKQGUMJSZSRG-OLZOCXBDSA-N 1 0 336.484 1.951 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000246825604 536168270 /nfs/dbraw/zinc/16/82/70/536168270.db2.gz AISVSSFKCIOQQB-HOCLYGCPSA-N 1 0 325.416 1.966 10 0 EDAERO COC(=O)Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261853873 536365781 /nfs/dbraw/zinc/36/57/81/536365781.db2.gz BMPKKVOJVIBYDD-CVEARBPZSA-N 1 0 342.399 1.077 10 0 EDAERO CN[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000262320599 536386957 /nfs/dbraw/zinc/38/69/57/536386957.db2.gz FDXQNCUIFAONPI-SFHVURJKSA-N 1 0 341.459 1.958 10 0 EDAERO CN(CCOc1ccccc1F)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261766060 536402070 /nfs/dbraw/zinc/40/20/70/536402070.db2.gz LZXCYDAVZVLCOV-INIZCTEOSA-N 1 0 337.439 1.722 10 0 EDAERO CNC(=O)c1cccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176455547 536435552 /nfs/dbraw/zinc/43/55/52/536435552.db2.gz CLYACCHFFJTTDT-AWEZNQCLSA-N 1 0 347.459 1.211 10 0 EDAERO COCCOc1ccc(CNC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245949178 536622509 /nfs/dbraw/zinc/62/25/09/536622509.db2.gz AONDNMSIYDKGDT-KRWDZBQOSA-N 1 0 347.459 1.108 10 0 EDAERO COC(=O)c1ccc(C)c(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247182265 536637724 /nfs/dbraw/zinc/63/77/24/536637724.db2.gz LAPAPPFHMFKNGZ-ZBFHGGJFSA-N 1 0 345.443 1.889 10 0 EDAERO COc1ccccc1C/C(C)=C/C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116793010 537006323 /nfs/dbraw/zinc/00/63/23/537006323.db2.gz CNSUGNJSIAXUTQ-VMEIHUARSA-N 1 0 332.444 1.973 10 0 EDAERO CCc1cccnc1C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000888095297 591025727 /nfs/dbraw/zinc/02/57/27/591025727.db2.gz UTEMVCRWUZHFQV-IIHSZXCVSA-N 1 0 331.460 1.854 10 0 EDAERO Cn1cc(O[C@@H]2CCC[C@@H]2[NH2+]Cc2cc3c(cn2)OCCO3)cn1 ZINC000888099026 591029119 /nfs/dbraw/zinc/02/91/19/591029119.db2.gz PCMKACBGBZCRKI-LSDHHAIUSA-N 1 0 330.388 1.676 10 0 EDAERO CN1CCC[C@@H]1c1cc(C(=O)N2CCC(Cn3cccn3)CC2)n[nH]1 ZINC000896490802 591477354 /nfs/dbraw/zinc/47/73/54/591477354.db2.gz JTJZGELQOOIRKL-QGZVFWFLSA-N 1 0 342.447 1.925 10 0 EDAERO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]C2CC(Oc3ccccc3)C2)cn1 ZINC000862495898 596336561 /nfs/dbraw/zinc/33/65/61/596336561.db2.gz GYUBWEKEFMNREP-NWCILSHNSA-N 1 0 329.400 1.766 10 0 EDAERO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)cnc1N ZINC000050694687 214067059 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CCn1nc(C)c(Br)c1CS(=O)(=O)CC1C[NH2+]C1 ZINC000167432549 529599697 /nfs/dbraw/zinc/59/96/97/529599697.db2.gz ZCBXCRRPGZVHAA-UHFFFAOYSA-N 1 0 336.255 1.108 10 0 EDAERO CCn1nc(C)c(Br)c1CC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000168450244 529599797 /nfs/dbraw/zinc/59/97/97/529599797.db2.gz FCFCDWOYFVNIRX-MFKMUULPSA-N 1 0 330.226 1.449 10 0 EDAERO CS(=O)(=O)N1CCN(CC[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000062096453 214698444 /nfs/dbraw/zinc/69/84/44/214698444.db2.gz QBFGXNQSAWTRQT-CQSZACIVSA-N 1 0 331.869 1.307 10 0 EDAERO CNC(=O)CCC[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000155067010 529851722 /nfs/dbraw/zinc/85/17/22/529851722.db2.gz JPXYAHVVMPSJOO-OAHLLOKOSA-N 1 0 328.840 1.676 10 0 EDAERO C[C@@H](NC(N)=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000101531665 219132056 /nfs/dbraw/zinc/13/20/56/219132056.db2.gz JUIVUBKFDYGPGU-OAHLLOKOSA-N 1 0 332.448 1.210 10 0 EDAERO C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C)cc2Br)CCO1 ZINC000163840633 529993084 /nfs/dbraw/zinc/99/30/84/529993084.db2.gz PEAMCYWUOSSQQZ-LLVKDONJSA-N 1 0 327.222 1.818 10 0 EDAERO CN([C@@H](C[NH3+])c1cc2c(c(Br)c1)OCO2)[C@@H]1CCOC1 ZINC000158653513 530032713 /nfs/dbraw/zinc/03/27/13/530032713.db2.gz WYGLOOBDIGQZGE-PWSUYJOCSA-N 1 0 343.221 1.898 10 0 EDAERO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245430487 539567795 /nfs/dbraw/zinc/56/77/95/539567795.db2.gz LXLYPXGCXUDDPM-HUUCEWRRSA-N 1 0 345.509 1.133 10 0 EDAERO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)C(=O)N1CCOCC1 ZINC000069096200 215359218 /nfs/dbraw/zinc/35/92/18/215359218.db2.gz LBEILTISKPBJPZ-JTQLQIEISA-N 1 0 345.212 1.925 10 0 EDAERO Nc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000040680507 213367853 /nfs/dbraw/zinc/36/78/53/213367853.db2.gz NVUOENRLPICCHW-UHFFFAOYSA-N 1 0 346.456 1.607 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)nn2)CCO1 ZINC000181233325 234126986 /nfs/dbraw/zinc/12/69/86/234126986.db2.gz QZDGSFPKLJBYNV-OAHLLOKOSA-N 1 0 341.415 1.938 10 0 EDAERO C[N@H+](CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000173175555 540094097 /nfs/dbraw/zinc/09/40/97/540094097.db2.gz VJSQQWFTRQVDHD-SFHVURJKSA-N 1 0 349.450 1.581 10 0 EDAERO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177713800 540105838 /nfs/dbraw/zinc/10/58/38/540105838.db2.gz RRBNUZITBKNVQY-JKSUJKDBSA-N 1 0 334.464 1.267 10 0 EDAERO CC(=O)c1ccc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000105821950 219544759 /nfs/dbraw/zinc/54/47/59/219544759.db2.gz BKBUUQZARXMLIL-UONOGXRCSA-N 1 0 333.432 1.215 10 0 EDAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000182928320 540134714 /nfs/dbraw/zinc/13/47/14/540134714.db2.gz FYHWVGQYHCBKMX-BLLLJJGKSA-N 1 0 327.384 1.436 10 0 EDAERO COc1cc2nc(C[NH2+][C@@H](C)[C@@H]3CCCO3)[nH]c(=O)c2cc1OC ZINC000183094563 540135299 /nfs/dbraw/zinc/13/52/99/540135299.db2.gz PMIHMKRWOMVFMC-GWCFXTLKSA-N 1 0 333.388 1.597 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000077726288 138254218 /nfs/dbraw/zinc/25/42/18/138254218.db2.gz NTNJZBLAJJSFOJ-CYBMUJFWSA-N 1 0 349.479 1.805 10 0 EDAERO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000076074996 138247044 /nfs/dbraw/zinc/24/70/44/138247044.db2.gz HTVCORIGTJSVCY-GUDVDZBRSA-N 1 0 334.460 1.268 10 0 EDAERO CC[C@@H]1CN([C@@H](C)C(=O)N(C)C2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000105912749 138302457 /nfs/dbraw/zinc/30/24/57/138302457.db2.gz WKWGMERDRZBAMB-IXDOHACOSA-N 1 0 339.524 1.943 10 0 EDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2cccs2)C[C@@H]1C ZINC000105912418 138302581 /nfs/dbraw/zinc/30/25/81/138302581.db2.gz ACECZZFQUMQJRR-UONOGXRCSA-N 1 0 325.478 1.093 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCCCCC1 ZINC000113608461 138309884 /nfs/dbraw/zinc/30/98/84/138309884.db2.gz DTCYZSRGEBOBMS-JKSUJKDBSA-N 1 0 336.480 1.657 10 0 EDAERO Cc1ncsc1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415524 138310122 /nfs/dbraw/zinc/31/01/22/138310122.db2.gz CRIMNPVRVUCSJZ-UHFFFAOYSA-N 1 0 345.472 1.871 10 0 EDAERO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)ccc2N)C1 ZINC000037929889 213174923 /nfs/dbraw/zinc/17/49/23/213174923.db2.gz ZYMHWHVHBTVZTP-SECBINFHSA-N 1 0 348.266 1.261 10 0 EDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCCOC2CCOCC2)[C@@H](C)C1 ZINC000132422820 138376936 /nfs/dbraw/zinc/37/69/36/138376936.db2.gz AXTVAYXYEOEJNL-HOCLYGCPSA-N 1 0 327.469 1.600 10 0 EDAERO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128940663 223003710 /nfs/dbraw/zinc/00/37/10/223003710.db2.gz YQBUGSZHRAITIX-LSDHHAIUSA-N 1 0 330.436 1.945 10 0 EDAERO CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC1([NH+](C)C)CCC1 ZINC000186986671 236087095 /nfs/dbraw/zinc/08/70/95/236087095.db2.gz ITICLHZQDNAYQN-AWEZNQCLSA-N 1 0 345.443 1.060 10 0 EDAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCS(=O)(=O)CC1 ZINC000036160587 213074667 /nfs/dbraw/zinc/07/46/67/213074667.db2.gz WOBXVMGQVYGWBU-LBPRGKRZSA-N 1 0 333.251 1.179 10 0 EDAERO Cc1cccc(S(=O)(=O)N2C[C@@H](C)N(CC[NH+](C)C)[C@H](C)C2)c1 ZINC000036126463 213072051 /nfs/dbraw/zinc/07/20/51/213072051.db2.gz WICJXKVKVJARJK-HZPDHXFCSA-N 1 0 339.505 1.640 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CCO1 ZINC000176409956 138708524 /nfs/dbraw/zinc/70/85/24/138708524.db2.gz DAVNSJIUOYIATD-QGZVFWFLSA-N 1 0 341.411 1.648 10 0 EDAERO CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000178784045 138745856 /nfs/dbraw/zinc/74/58/56/138745856.db2.gz MLTVUXMVHWQVQO-RDJZCZTQSA-N 1 0 347.459 1.708 10 0 EDAERO [NH3+]CCc1cc(Br)ccc1OCC(=O)N1CCCC1 ZINC000037720769 213163337 /nfs/dbraw/zinc/16/33/37/213163337.db2.gz OSQWYMRFCNHCCC-UHFFFAOYSA-N 1 0 327.222 1.952 10 0 EDAERO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190513862 291234550 /nfs/dbraw/zinc/23/45/50/291234550.db2.gz XXZNUNNQODVUIM-KGLIPLIRSA-N 1 0 328.453 1.676 10 0 EDAERO COc1ccc2c(c1)CCN(c1nc(N)nc3c1CC[NH2+]CC3)C2 ZINC000072436425 216231055 /nfs/dbraw/zinc/23/10/55/216231055.db2.gz OSSSBJMWNXBOFX-UHFFFAOYSA-N 1 0 325.416 1.318 10 0 EDAERO 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333.251 1.744 10 0 EDAERO COC(=O)c1ncn([C@@H](c2cc(Br)cs2)[C@@H](C)[NH3+])n1 ZINC000167337161 534363243 /nfs/dbraw/zinc/36/32/43/534363243.db2.gz USGRNOWRMGIJGW-HZGVNTEJSA-N 1 0 345.222 1.825 10 0 EDAERO CC(=O)N1CCc2cc(-c3nc([C@H]4C[NH2+]CCN4C)no3)ccc21 ZINC000263208259 534819884 /nfs/dbraw/zinc/81/98/84/534819884.db2.gz JYJCEJOGSCCTGD-OAHLLOKOSA-N 1 0 327.388 1.222 10 0 EDAERO CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)c(F)c1 ZINC000262550434 534849156 /nfs/dbraw/zinc/84/91/56/534849156.db2.gz OQOIIIZNHNDYEE-GFCCVEGCSA-N 1 0 333.407 1.532 10 0 EDAERO O=S1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000158144623 534878443 /nfs/dbraw/zinc/87/84/43/534878443.db2.gz NPHDGLZOMKJRRL-XYEKJYRLSA-N 1 0 332.263 1.983 10 0 EDAERO CC(C)c1nccc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000110560834 534910102 /nfs/dbraw/zinc/91/01/02/534910102.db2.gz RQLSBRWQHONENN-KRWDZBQOSA-N 1 0 347.507 1.831 10 0 EDAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000174164424 526284482 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CC[NH2+][C@@H](Cc1c(Br)c(C)nn1CC)c1cnn[nH]1 ZINC000158904441 528391759 /nfs/dbraw/zinc/39/17/59/528391759.db2.gz WXZMQOUVOZUMGC-VIFPVBQESA-N 1 0 327.230 1.985 10 0 EDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)[S@](C)=O)cc1 ZINC000165511431 528423895 /nfs/dbraw/zinc/42/38/95/528423895.db2.gz VBCNVMTYTCYKKN-FKANQGBASA-N 1 0 332.491 1.402 10 0 EDAERO CC[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1CN2CCN1CC2 ZINC000167938699 528425520 /nfs/dbraw/zinc/42/55/20/528425520.db2.gz FTTWNVLOXBPRJV-CABCVRRESA-N 1 0 339.281 1.365 10 0 EDAERO CC(C)c1nnc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)n1C ZINC000186549403 528436615 /nfs/dbraw/zinc/43/66/15/528436615.db2.gz ZTCXVWXPZRNLDD-HNNXBMFYSA-N 1 0 329.448 1.728 10 0 EDAERO CC[N@H+](CCO)CCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000187366886 528542338 /nfs/dbraw/zinc/54/23/38/528542338.db2.gz VPBFFCSGQGXPIU-HNNXBMFYSA-N 1 0 335.448 1.902 10 0 EDAERO CC(C)[C@@H](O)CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000154495860 528614488 /nfs/dbraw/zinc/61/44/88/528614488.db2.gz 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ZINC000896844812 591630849 /nfs/dbraw/zinc/63/08/49/591630849.db2.gz QJOFMHZGCURJSH-KRWDZBQOSA-N 1 0 332.448 1.293 10 0 EDAERO CC[C@@H]1CN(Cn2nccc2-c2ccncc2)CC[N@@H+]1CCOC ZINC000117323925 595628052 /nfs/dbraw/zinc/62/80/52/595628052.db2.gz WJUBVDOMCDTUNT-QGZVFWFLSA-N 1 0 329.448 1.945 10 0 EDAERO COCC[N@@H+]1CCN(Cn2nc(-c3cccs3)oc2=O)C[C@@H]1C ZINC000117322154 595628310 /nfs/dbraw/zinc/62/83/10/595628310.db2.gz HCJBZAJINVYDRZ-LBPRGKRZSA-N 1 0 338.433 1.175 10 0 EDAERO CC[C@H]1CN(Cn2nc(C3CC3)n(C)c2=S)CC[N@@H+]1CCOC ZINC000117324098 595629323 /nfs/dbraw/zinc/62/93/23/595629323.db2.gz ATCJZJLDQFMGNY-AWEZNQCLSA-N 1 0 339.509 1.829 10 0 EDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000153285950 695606389 /nfs/dbraw/zinc/60/63/89/695606389.db2.gz ZMRAVCIKBNHOEP-STQMWFEESA-N 1 0 337.386 1.227 10 0 EDAERO C[NH+](C)C[C@@H]1CN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 ZINC000120611226 282128350 /nfs/dbraw/zinc/12/83/50/282128350.db2.gz QRMFVQPPCOLVMT-IUODEOHRSA-N 1 0 339.386 1.333 10 0 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342.443 1.774 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000171691594 302944549 /nfs/dbraw/zinc/94/45/49/302944549.db2.gz AMBAVZMRRNQUJG-KBPBESRZSA-N 1 0 340.468 1.731 10 0 EDAERO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)CC(C)C ZINC000105106276 441234517 /nfs/dbraw/zinc/23/45/17/441234517.db2.gz LZHYFYCFXGIGPM-CVEARBPZSA-N 1 0 328.501 1.373 10 0 EDAERO CCCn1cc(CN2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cn1 ZINC000105834575 441287161 /nfs/dbraw/zinc/28/71/61/441287161.db2.gz BAMCEOSYHXIXRI-UHFFFAOYSA-N 1 0 335.496 1.668 10 0 EDAERO CC[C@H]1CN(CC(=O)Nc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000105835985 441288455 /nfs/dbraw/zinc/28/84/55/441288455.db2.gz MFCCIMQVQWURMS-INIZCTEOSA-N 1 0 335.448 1.676 10 0 EDAERO CCOCC[N@@H+]1CCN(CC(=O)N(C)c2nccs2)C[C@H]1CC ZINC000105838420 441290407 /nfs/dbraw/zinc/29/04/07/441290407.db2.gz KPMSDNSBVVLOFF-CQSZACIVSA-N 1 0 340.493 1.539 10 0 EDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2 ZINC000106459069 441345237 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CC(C)N1CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1=O ZINC000114820578 441686668 /nfs/dbraw/zinc/68/66/68/441686668.db2.gz FQRFVZUWHIDCMJ-HZPDHXFCSA-N 1 0 332.448 1.598 10 0 EDAERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000136577890 441705719 /nfs/dbraw/zinc/70/57/19/441705719.db2.gz VORWQRVENUTBND-WBVHZDCISA-N 1 0 327.432 1.869 10 0 EDAERO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114562480 441667001 /nfs/dbraw/zinc/66/70/01/441667001.db2.gz QPLHKBAWONGKKF-RTBURBONSA-N 1 0 346.471 1.802 10 0 EDAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2nnc(C(C)(C)C)s2)CCO1 ZINC000137206956 441755695 /nfs/dbraw/zinc/75/56/95/441755695.db2.gz YACWABNIXBQMDX-NSHDSACASA-N 1 0 341.481 1.037 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)C1 ZINC000159127809 441790596 /nfs/dbraw/zinc/79/05/96/441790596.db2.gz ZCNXIFXMOQIGAK-CVEARBPZSA-N 1 0 349.479 1.359 10 0 EDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000121840335 441792842 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ZINC000175391918 442055325 /nfs/dbraw/zinc/05/53/25/442055325.db2.gz HJRWGUDOLSTSEK-HNNXBMFYSA-N 1 0 326.462 1.941 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000175447154 442065234 /nfs/dbraw/zinc/06/52/34/442065234.db2.gz XJXSSBZNDRJFFS-JKSUJKDBSA-N 1 0 345.443 1.510 10 0 EDAERO C[C@H](CCNC(=O)NC[C@@H]1CN(C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000175466529 442067906 /nfs/dbraw/zinc/06/79/06/442067906.db2.gz OVXGWRYMXIVYJO-SJLPKXTDSA-N 1 0 348.491 1.527 10 0 EDAERO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)N1CCOCC1 ZINC000079733989 442082922 /nfs/dbraw/zinc/08/29/22/442082922.db2.gz GRQGGPGWZGNIBL-FUHWJXTLSA-N 1 0 348.491 1.179 10 0 EDAERO CC[C@@H]1CN(Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000120711821 442122130 /nfs/dbraw/zinc/12/21/30/442122130.db2.gz HRHHAHRAQZWOSV-SJLPKXTDSA-N 1 0 332.492 1.959 10 0 EDAERO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000120748181 442125918 /nfs/dbraw/zinc/12/59/18/442125918.db2.gz IOOXWSFKFLMAII-DOMZBBRYSA-N 1 0 329.824 1.958 10 0 EDAERO CC[C@H](C)OCC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000126680863 442133968 /nfs/dbraw/zinc/13/39/68/442133968.db2.gz YUNNAGCTXPBWFB-DLBZAZTESA-N 1 0 341.496 1.055 10 0 EDAERO C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000175633468 442096522 /nfs/dbraw/zinc/09/65/22/442096522.db2.gz ZIJHGIWJRNVTQU-GDBMZVCRSA-N 1 0 327.469 1.696 10 0 EDAERO Cn1cc([C@H]2CC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)cn1 ZINC000121197098 442190844 /nfs/dbraw/zinc/19/08/44/442190844.db2.gz UCZHMTWXJAWOKW-ZDUSSCGKSA-N 1 0 331.420 1.074 10 0 EDAERO CCn1cc(CN2CCCN(C(=O)C[N@H+](CC)C3CC3)CC2)cn1 ZINC000152273473 442191627 /nfs/dbraw/zinc/19/16/27/442191627.db2.gz BTTKWAKWJJJXDQ-UHFFFAOYSA-N 1 0 333.480 1.422 10 0 EDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCOCC1 ZINC000152094996 442163961 /nfs/dbraw/zinc/16/39/61/442163961.db2.gz XIUOXVARYORUSA-JKSUJKDBSA-N 1 0 326.485 1.127 10 0 EDAERO CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000128224886 442252848 /nfs/dbraw/zinc/25/28/48/442252848.db2.gz WHFPMIQLWKHFSE-APWZRJJASA-N 1 0 345.487 1.923 10 0 EDAERO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000176373598 442215118 /nfs/dbraw/zinc/21/51/18/442215118.db2.gz OTDGPNDBIHDJRZ-DOMZBBRYSA-N 1 0 328.840 1.531 10 0 EDAERO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152529590 442222863 /nfs/dbraw/zinc/22/28/63/442222863.db2.gz UCGZOEPHXJHHDP-HNNXBMFYSA-N 1 0 344.415 1.399 10 0 EDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000176451454 442223698 /nfs/dbraw/zinc/22/36/98/442223698.db2.gz CRPKGHYUPNKZTO-VQIMIIECSA-N 1 0 347.503 1.841 10 0 EDAERO C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000168430089 442224082 /nfs/dbraw/zinc/22/40/82/442224082.db2.gz IAPWATHTHMUHQC-OAHLLOKOSA-N 1 0 342.443 1.841 10 0 EDAERO COC(=O)c1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176880084 442266353 /nfs/dbraw/zinc/26/63/53/442266353.db2.gz KVDGCIMDSSUYPI-AWEZNQCLSA-N 1 0 348.443 1.638 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000176894907 442269062 /nfs/dbraw/zinc/26/90/62/442269062.db2.gz KYQUAKWDQNAHBW-MRXNPFEDSA-N 1 0 332.448 1.634 10 0 EDAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)N1CCc2sccc2C1 ZINC000170831075 442270874 /nfs/dbraw/zinc/27/08/74/442270874.db2.gz IFCWOEZOFISLQD-HIFRSBDPSA-N 1 0 336.505 1.840 10 0 EDAERO CCOC(=O)N[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CC(C)C ZINC000170831271 442271249 /nfs/dbraw/zinc/27/12/49/442271249.db2.gz DSNLXVKAHXWUTM-UONOGXRCSA-N 1 0 328.457 1.493 10 0 EDAERO CCCN1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170843480 442273499 /nfs/dbraw/zinc/27/34/99/442273499.db2.gz VRXYQHPEHBKDCE-HNNXBMFYSA-N 1 0 344.459 1.513 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000170864562 442279434 /nfs/dbraw/zinc/27/94/34/442279434.db2.gz HNBUCCHAZOONKE-HUUCEWRRSA-N 1 0 335.835 1.855 10 0 EDAERO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177256212 442321466 /nfs/dbraw/zinc/32/14/66/442321466.db2.gz GQXJOXJTPUBAQR-RYRKJORJSA-N 1 0 331.460 1.344 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCNC(=O)CC2CCCCC2)C1 ZINC000171165096 442322345 /nfs/dbraw/zinc/32/23/45/442322345.db2.gz IHKZWDNPSYJGSG-INIZCTEOSA-N 1 0 338.496 1.857 10 0 EDAERO C[C@H]1C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C[C@@H]1N1CCOCC1 ZINC000177265828 442322658 /nfs/dbraw/zinc/32/26/58/442322658.db2.gz BMEATBOSTLPJHK-GUYCJALGSA-N 1 0 344.411 1.651 10 0 EDAERO C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H]2Cn2ccnc2)C[C@@H](C)O1 ZINC000177378698 442333721 /nfs/dbraw/zinc/33/37/21/442333721.db2.gz OULXKNKOWIRHME-BRWVUGGUSA-N 1 0 349.479 1.556 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000171268734 442336342 /nfs/dbraw/zinc/33/63/42/442336342.db2.gz MGUOYJKCWZKTNO-AWEZNQCLSA-N 1 0 345.447 1.585 10 0 EDAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CCOC1 ZINC000177458080 442343923 /nfs/dbraw/zinc/34/39/23/442343923.db2.gz FLIZWMXEAOMCTQ-RTBURBONSA-N 1 0 346.471 1.927 10 0 EDAERO COC[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000171071059 442306235 /nfs/dbraw/zinc/30/62/35/442306235.db2.gz JHWJQUHJFFVIQN-IAGOWNOFSA-N 1 0 335.448 1.520 10 0 EDAERO O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177698555 442372464 /nfs/dbraw/zinc/37/24/64/442372464.db2.gz WYXQAFIECNKEIN-ZDUSSCGKSA-N 1 0 341.333 1.951 10 0 EDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C/c2cccc(O)c2)CC1 ZINC000155345097 442389142 /nfs/dbraw/zinc/38/91/42/442389142.db2.gz KQGRDNAKTZYJPU-LQYUOIDQSA-N 1 0 332.444 1.957 10 0 EDAERO C[C@H](CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000172031157 442401447 /nfs/dbraw/zinc/40/14/47/442401447.db2.gz LIYOVTXIXFPECK-KGLIPLIRSA-N 1 0 342.484 1.931 10 0 EDAERO CC[C@H]1CN(CCn2cnc3ccccc3c2=O)CC[N@@H+]1C[C@@H](C)O ZINC000172247695 442429706 /nfs/dbraw/zinc/42/97/06/442429706.db2.gz VZESIMPZLCZNRV-CVEARBPZSA-N 1 0 344.459 1.174 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000172307605 442441208 /nfs/dbraw/zinc/44/12/08/442441208.db2.gz RBBXWMCIMILCEK-QGZVFWFLSA-N 1 0 328.416 1.204 10 0 EDAERO CCC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000172336455 442446286 /nfs/dbraw/zinc/44/62/86/442446286.db2.gz RZHPLHUNHATALT-HNNXBMFYSA-N 1 0 334.420 1.829 10 0 EDAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CCOC)C12CCOCC2 ZINC000186314313 442510330 /nfs/dbraw/zinc/51/03/30/442510330.db2.gz UFJJKQRFTBAKAU-GVDBMIGSSA-N 1 0 326.481 1.661 10 0 EDAERO CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000156335036 442469321 /nfs/dbraw/zinc/46/93/21/442469321.db2.gz NTGPSWZSIHVKPQ-HUUCEWRRSA-N 1 0 348.495 1.747 10 0 EDAERO CSC1(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC000191604025 442474230 /nfs/dbraw/zinc/47/42/30/442474230.db2.gz ARTFERNTSIHEMN-OAHLLOKOSA-N 1 0 341.521 1.135 10 0 EDAERO O=C(NC1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1)C1CC1 ZINC000186728390 442602629 /nfs/dbraw/zinc/60/26/29/442602629.db2.gz BDTARZXASVXKML-OAHLLOKOSA-N 1 0 346.431 1.337 10 0 EDAERO C[C@@H]1C[N@H+](CCC(=O)N(C)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000135134294 442560060 /nfs/dbraw/zinc/56/00/60/442560060.db2.gz YBOMVXHJKKIUQS-AEFFLSMTSA-N 1 0 331.460 1.692 10 0 EDAERO CCCc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n(C)n1 ZINC000180767125 442657989 /nfs/dbraw/zinc/65/79/89/442657989.db2.gz ULMMWCBKPRXLAK-JSGCOSHPSA-N 1 0 335.452 1.156 10 0 EDAERO COCCOC[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000173150543 442611889 /nfs/dbraw/zinc/61/18/89/442611889.db2.gz IIQPEONJISRWEA-QZTJIDSGSA-N 1 0 334.460 1.671 10 0 EDAERO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181340230 442691375 /nfs/dbraw/zinc/69/13/75/442691375.db2.gz LRLMQXKYRKMRBX-NEPJUHHUSA-N 1 0 325.384 1.645 10 0 EDAERO CC[C@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)CC[N@@H+]1C[C@@H](C)O ZINC000187868830 442696027 /nfs/dbraw/zinc/69/60/27/442696027.db2.gz SXHRUQNJQJFIQP-KGLIPLIRSA-N 1 0 343.427 1.445 10 0 EDAERO O=C(NC1CN(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1)C1CC1 ZINC000187976764 442701230 /nfs/dbraw/zinc/70/12/30/442701230.db2.gz BABXYPZAKIQZRF-CQSZACIVSA-N 1 0 344.333 1.829 10 0 EDAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579221 442664878 /nfs/dbraw/zinc/66/48/78/442664878.db2.gz SNFYYACSVYKGHM-VXGBXAGGSA-N 1 0 327.450 1.289 10 0 EDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCc2ccccn2)CC1 ZINC000182020476 442729085 /nfs/dbraw/zinc/72/90/85/442729085.db2.gz IQPPZVAIJHOXMP-INIZCTEOSA-N 1 0 348.491 1.748 10 0 EDAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000193364384 442736278 /nfs/dbraw/zinc/73/62/78/442736278.db2.gz LAHLRFQIWHXAPG-ZFWWWQNUSA-N 1 0 329.462 1.918 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(C)c(C)s1 ZINC000193415411 442740765 /nfs/dbraw/zinc/74/07/65/442740765.db2.gz YGYZZGATTQUPFH-QWHCGFSZSA-N 1 0 336.461 1.784 10 0 EDAERO CC[C@@H]1CN(C(=O)NCC[C@@H]2CCCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000182160495 442740795 /nfs/dbraw/zinc/74/07/95/442740795.db2.gz KSYBCOABTCYNID-OAGGEKHMSA-N 1 0 327.469 1.432 10 0 EDAERO COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246588229 442794920 /nfs/dbraw/zinc/79/49/20/442794920.db2.gz YPXSATOFHVYWFM-IAQYHMDHSA-N 1 0 337.395 1.618 10 0 EDAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182333366 442758166 /nfs/dbraw/zinc/75/81/66/442758166.db2.gz ZOVGCRAVSLDBFP-DZGCQCFKSA-N 1 0 349.479 1.461 10 0 EDAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246422215 442781154 /nfs/dbraw/zinc/78/11/54/442781154.db2.gz KRZPKRQUKRWKEO-WKULXVSPSA-N 1 0 337.508 1.532 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C(=O)OC)ccn1 ZINC000193767813 442783316 /nfs/dbraw/zinc/78/33/16/442783316.db2.gz KTHKZAKJVHFYAU-UONOGXRCSA-N 1 0 332.404 1.959 10 0 EDAERO C[C@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCN1C(=O)c1ccccc1 ZINC000246855335 442817998 /nfs/dbraw/zinc/81/79/98/442817998.db2.gz DSBAWBKKJMZOJZ-FXAWDEMLSA-N 1 0 341.455 1.988 10 0 EDAERO O=C(NC1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1)C1CCC1 ZINC000188813402 442819785 /nfs/dbraw/zinc/81/97/85/442819785.db2.gz PMDDTTAXDMXLJY-UHFFFAOYSA-N 1 0 334.464 1.171 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000246954007 442824166 /nfs/dbraw/zinc/82/41/66/442824166.db2.gz LYAHOVONJFRFKO-KGLIPLIRSA-N 1 0 341.411 1.611 10 0 EDAERO COCCN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000246990740 442826197 /nfs/dbraw/zinc/82/61/97/442826197.db2.gz KEDHZXSNVRZTPB-ARFHVFGLSA-N 1 0 326.485 1.221 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194047832 442836781 /nfs/dbraw/zinc/83/67/81/442836781.db2.gz NKJBJEVELSHTNN-SWLSCSKDSA-N 1 0 328.416 1.906 10 0 EDAERO CCO[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1(CC)CC ZINC000247181376 442840120 /nfs/dbraw/zinc/84/01/20/442840120.db2.gz VXQLGMVYILWUGP-ARFHVFGLSA-N 1 0 341.496 1.942 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000247500611 442858089 /nfs/dbraw/zinc/85/80/89/442858089.db2.gz UZURNUXXCSIXSO-ZBFHGGJFSA-N 1 0 337.489 1.605 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247538526 442860839 /nfs/dbraw/zinc/86/08/39/442860839.db2.gz YEUGJQYWEKCFEL-MGPQQGTHSA-N 1 0 333.398 1.956 10 0 EDAERO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)[C@@H]1CCCO1 ZINC000183126791 442884800 /nfs/dbraw/zinc/88/48/00/442884800.db2.gz SBKQGKYWJSBGBE-ONGXEEELSA-N 1 0 337.445 1.431 10 0 EDAERO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183142931 442888298 /nfs/dbraw/zinc/88/82/98/442888298.db2.gz BALBNFCVINMQST-XJKSGUPXSA-N 1 0 333.432 1.920 10 0 EDAERO CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000248442364 442892220 /nfs/dbraw/zinc/89/22/20/442892220.db2.gz AMSSZJOXHCFZEX-IXDOHACOSA-N 1 0 349.475 1.941 10 0 EDAERO CCN(CC)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000194155488 442853273 /nfs/dbraw/zinc/85/32/73/442853273.db2.gz RGSSRWGFUFRDKQ-OAHLLOKOSA-N 1 0 347.463 1.467 10 0 EDAERO CC[C@@H](CSC)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182143919 318499040 /nfs/dbraw/zinc/49/90/40/318499040.db2.gz VPKSVAHYQJPPJR-ZFWWWQNUSA-N 1 0 331.526 1.862 10 0 EDAERO C[C@@H](NC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C)C(=O)N(C)C ZINC000183206550 318520625 /nfs/dbraw/zinc/52/06/25/318520625.db2.gz RESFBZMWASVVJF-CXAGYDPISA-N 1 0 331.460 1.883 10 0 EDAERO CCS(=O)(=O)C1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000248747856 442924065 /nfs/dbraw/zinc/92/40/65/442924065.db2.gz GGXXPGHZRPONLJ-HIFRSBDPSA-N 1 0 345.509 1.324 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN(CCC(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000249412015 442973307 /nfs/dbraw/zinc/97/33/07/442973307.db2.gz VKJWGZQYCANZTJ-SJORKVTESA-N 1 0 345.487 1.348 10 0 EDAERO CCOC(=O)N1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000195010610 442976315 /nfs/dbraw/zinc/97/63/15/442976315.db2.gz JLHKKDQKQXFJNG-OAHLLOKOSA-N 1 0 342.484 1.837 10 0 EDAERO COC(=O)[C@@]1(C)CCCN1CCC[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000249568050 442988547 /nfs/dbraw/zinc/98/85/47/442988547.db2.gz NMOMSGGTKSUJKG-IAGOWNOFSA-N 1 0 326.437 1.432 10 0 EDAERO CO[C@@H](C)CS(=O)(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249582082 442990767 /nfs/dbraw/zinc/99/07/67/442990767.db2.gz NOKDVCIXDLGEDV-HOCLYGCPSA-N 1 0 341.477 1.200 10 0 EDAERO OC[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1c1ccsc1 ZINC000249590354 442991895 /nfs/dbraw/zinc/99/18/95/442991895.db2.gz VERLDPPIBDJHOA-QAETUUGQSA-N 1 0 341.473 1.312 10 0 EDAERO Cc1ccn(C)c1C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000189717116 442998092 /nfs/dbraw/zinc/99/80/92/442998092.db2.gz ANBBWFVMOFSVJK-QGZVFWFLSA-N 1 0 348.491 1.201 10 0 EDAERO CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000249704314 443000674 /nfs/dbraw/zinc/00/06/74/443000674.db2.gz LPPWGYYXIQRBBC-ZFWWWQNUSA-N 1 0 349.818 1.572 10 0 EDAERO CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000254988930 443080423 /nfs/dbraw/zinc/08/04/23/443080423.db2.gz CSHWAOYMCUBXDI-PICKXAKRSA-N 1 0 330.432 1.299 10 0 EDAERO CCC[C@H](C(=O)NCc1cnc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000184994158 443113680 /nfs/dbraw/zinc/11/36/80/443113680.db2.gz VYGPDKFNWQCTSR-OAHLLOKOSA-N 1 0 338.427 1.404 10 0 EDAERO CCOc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)c1 ZINC000257186796 443119782 /nfs/dbraw/zinc/11/97/82/443119782.db2.gz KTQLWGWOUWQSKM-FUHWJXTLSA-N 1 0 332.444 1.794 10 0 EDAERO COC(=O)NCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190642655 443155827 /nfs/dbraw/zinc/15/58/27/443155827.db2.gz IUMAQNNRQXTVIS-INIZCTEOSA-N 1 0 348.447 1.498 10 0 EDAERO COCCc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190988008 443219629 /nfs/dbraw/zinc/21/96/29/443219629.db2.gz GUKCUZRNNOBFBV-GOEBONIOSA-N 1 0 345.443 1.509 10 0 EDAERO CC1(C)C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC2(CCCC2)O1 ZINC000190962907 443215408 /nfs/dbraw/zinc/21/54/08/443215408.db2.gz LXHOCVZMYXBQKW-CVEARBPZSA-N 1 0 327.465 1.967 10 0 EDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382556492 319124259 /nfs/dbraw/zinc/12/42/59/319124259.db2.gz GFKYHXQERKGBGM-HRCADAONSA-N 1 0 341.496 1.942 10 0 EDAERO O[C@H](CN1CCO[C@@H]2CCCC[C@H]21)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000245912667 443256833 /nfs/dbraw/zinc/25/68/33/443256833.db2.gz FZBSDTWOCRNBGD-UJWQCDCRSA-N 1 0 338.492 1.634 10 0 EDAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246177140 443276160 /nfs/dbraw/zinc/27/61/60/443276160.db2.gz SSIADKBMOXEAQQ-OWCLPIDISA-N 1 0 326.485 1.079 10 0 EDAERO CC1CCC(N2C[C@H](C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2=O)CC1 ZINC000246239804 443281826 /nfs/dbraw/zinc/28/18/26/443281826.db2.gz JBEAZPXCOPKBND-MYBQVCMBSA-N 1 0 333.476 1.720 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000191346543 443281916 /nfs/dbraw/zinc/28/19/16/443281916.db2.gz UQQPOFUFLQGBBS-QGZVFWFLSA-N 1 0 336.480 1.053 10 0 EDAERO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246080661 443265918 /nfs/dbraw/zinc/26/59/18/443265918.db2.gz GRYRQKRJENNFRO-GHMZBOCLSA-N 1 0 346.474 1.542 10 0 EDAERO C[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000396417651 447542387 /nfs/dbraw/zinc/54/23/87/447542387.db2.gz MQVFLYXUUZGNAN-MRXNPFEDSA-N 1 0 331.460 1.475 10 0 EDAERO CN(Cc1nccc(N)n1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000583620187 448450402 /nfs/dbraw/zinc/45/04/02/448450402.db2.gz SBUWMWHQNJZQCV-SUMWQHHRSA-N 1 0 329.452 1.307 10 0 EDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccc(C(N)=O)cc1 ZINC000616635281 450456251 /nfs/dbraw/zinc/45/62/51/450456251.db2.gz BQLYVDQABATOJI-HNNXBMFYSA-N 1 0 348.447 1.257 10 0 EDAERO C[C@@H]1CN(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)C[C@@H]1[NH+](C)C ZINC000637513203 451918938 /nfs/dbraw/zinc/91/89/38/451918938.db2.gz CBJBQVNOIIGXDH-BFJAYTPKSA-N 1 0 335.452 1.469 10 0 EDAERO Cn1cc(NC(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000644305368 453275689 /nfs/dbraw/zinc/27/56/89/453275689.db2.gz DUBAWVHHMWMOME-GOSISDBHSA-N 1 0 328.416 1.776 10 0 EDAERO OCC1CC([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000663374267 453783209 /nfs/dbraw/zinc/78/32/09/453783209.db2.gz JORAMLQJAGGVJN-KGPNIALWSA-N 1 0 330.222 1.549 10 0 EDAERO C[C@H]([NH3+])[C@H]1CN(c2ccnc3cc(Br)cnc32)CCO1 ZINC000135533962 486832575 /nfs/dbraw/zinc/83/25/75/486832575.db2.gz RAFWVMYHMVMXCK-TVQRCGJNSA-N 1 0 337.221 1.945 10 0 EDAERO CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C[NH3+])o3)CC2)n1 ZINC000168137061 486508291 /nfs/dbraw/zinc/50/82/91/486508291.db2.gz MBHGECVGTOMFGH-LLVKDONJSA-N 1 0 333.392 1.203 10 0 EDAERO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000168824693 533736495 /nfs/dbraw/zinc/73/64/95/533736495.db2.gz NPNGPIDYHAIGDW-QMMMGPOBSA-N 1 0 335.882 1.203 10 0 EDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(Cl)n2)CC1 ZINC000176442588 534076517 /nfs/dbraw/zinc/07/65/17/534076517.db2.gz DBYYIALFVLKGNQ-LBPRGKRZSA-N 1 0 325.840 1.900 10 0 EDAERO C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000187072142 534086660 /nfs/dbraw/zinc/08/66/60/534086660.db2.gz LXXLXVACIIIKJV-CQSZACIVSA-N 1 0 344.459 1.427 10 0 EDAERO COC(=O)c1cccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179564415 534260849 /nfs/dbraw/zinc/26/08/49/534260849.db2.gz XBXNDIDBBBVFLL-MRXNPFEDSA-N 1 0 331.416 1.505 10 0 EDAERO COC(=O)c1ncn(-c2ccc([C@H](C)[NH3+])cc2Br)n1 ZINC000167395618 534360547 /nfs/dbraw/zinc/36/05/47/534360547.db2.gz JVBQGTKOIWZWKR-ZETCQYMHSA-N 1 0 325.166 1.836 10 0 EDAERO O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000183548269 534684458 /nfs/dbraw/zinc/68/44/58/534684458.db2.gz WFQQWGKIEUOKDD-CYBMUJFWSA-N 1 0 330.413 1.946 10 0 EDAERO CC(=O)N1CCCN(c2cccc(Br)c2C[NH3+])CC1 ZINC000168300093 526561414 /nfs/dbraw/zinc/56/14/14/526561414.db2.gz FZNKZJPBSFARTG-UHFFFAOYSA-N 1 0 326.238 1.966 10 0 EDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(C)cc1Br ZINC000163836367 527805951 /nfs/dbraw/zinc/80/59/51/527805951.db2.gz PDOGEFPZGLZFAI-UPJWGTAASA-N 1 0 327.222 1.992 10 0 EDAERO CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)CC2 ZINC000159187886 528336825 /nfs/dbraw/zinc/33/68/25/528336825.db2.gz CSXIMIRBFLBVFL-CQSZACIVSA-N 1 0 348.495 1.890 10 0 EDAERO CCCn1cc(CN2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)cn1 ZINC000164286144 528841890 /nfs/dbraw/zinc/84/18/90/528841890.db2.gz ZLMQDXPIZLYPMJ-KRWDZBQOSA-N 1 0 335.496 1.668 10 0 EDAERO CC(C)[N@H+]1C[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)[C@@H](C)C1 ZINC000158917507 529101700 /nfs/dbraw/zinc/10/17/00/529101700.db2.gz RVXDSLHFKJSSRH-QWRGUYRKSA-N 1 0 339.358 1.510 10 0 EDAERO CC[C@H]1CN(C(=O)NC[C@@H](C)c2nccs2)CC[N@@H+]1CCOC ZINC000187019189 529273673 /nfs/dbraw/zinc/27/36/73/529273673.db2.gz TUOGCTYKEZSXSP-KGLIPLIRSA-N 1 0 340.493 1.999 10 0 EDAERO CC[C@@H]1CN(C(=O)COc2cccc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174623381 529363714 /nfs/dbraw/zinc/36/37/14/529363714.db2.gz FWHRVUBEMYVIRK-HUUCEWRRSA-N 1 0 336.432 1.378 10 0 EDAERO CC(C)c1nnc2n1C[C@H](NC(=O)C1CC[NH+](C3CC3)CC1)CC2 ZINC000195418148 535026845 /nfs/dbraw/zinc/02/68/45/535026845.db2.gz HTXIHDYZXRCAHX-CQSZACIVSA-N 1 0 331.464 1.707 10 0 EDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN([C@H](C)c3ccccn3)CC2)C1 ZINC000246405628 535215462 /nfs/dbraw/zinc/21/54/62/535215462.db2.gz QYCPHUCLDARYGC-MSOLQXFVSA-N 1 0 332.492 1.869 10 0 EDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)Cc3ccoc3)CC2)C1 ZINC000124272597 535220929 /nfs/dbraw/zinc/22/09/29/535220929.db2.gz DBRYJMRKKAZNIF-QGZVFWFLSA-N 1 0 335.448 1.076 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2noc3ccccc23)C1 ZINC000248706736 535258265 /nfs/dbraw/zinc/25/82/65/535258265.db2.gz AKFQKWMOJACYDZ-TZMCWYRMSA-N 1 0 337.445 1.976 10 0 EDAERO CC1(C)CN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000261817440 535348388 /nfs/dbraw/zinc/34/83/88/535348388.db2.gz JYGWKSYHVVJEDX-ZDUSSCGKSA-N 1 0 343.424 1.397 10 0 EDAERO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]([NH3+])[C@H](C)CC)CC2 ZINC000237136449 535504023 /nfs/dbraw/zinc/50/40/23/535504023.db2.gz JUXGHQFRWHXSQI-IAQYHMDHSA-N 1 0 339.461 1.247 10 0 EDAERO CCN(CC)c1ncc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)s1 ZINC000245773356 535691632 /nfs/dbraw/zinc/69/16/32/535691632.db2.gz SFLYAMZJDXBOAR-KBPBESRZSA-N 1 0 326.510 1.876 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000253549725 535876293 /nfs/dbraw/zinc/87/62/93/535876293.db2.gz VSBRZGOBNNXOFH-MJBXVCDLSA-N 1 0 335.473 1.952 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2nnc(C3CCCC3)o2)CCO1 ZINC000124946663 535967584 /nfs/dbraw/zinc/96/75/84/535967584.db2.gz ITYZKAOZWBAHJB-AWEZNQCLSA-N 1 0 336.436 1.449 10 0 EDAERO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261975916 536118466 /nfs/dbraw/zinc/11/84/66/536118466.db2.gz LVDGCVDZVDRIMT-NSHDSACASA-N 1 0 345.490 1.198 10 0 EDAERO CC[C@H]1CN(C(=O)NCc2cc(C)cc(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000248502431 536120614 /nfs/dbraw/zinc/12/06/14/536120614.db2.gz UFEWIOUXDMYGGH-RDJZCZTQSA-N 1 0 349.475 1.990 10 0 EDAERO CC[C@H]1CN(CC(=O)Nc2cc(C)ccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000247402566 536132079 /nfs/dbraw/zinc/13/20/79/536132079.db2.gz YQXUNGCBAZBCCW-HOTGVXAUSA-N 1 0 349.475 1.719 10 0 EDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000088390987 536159972 /nfs/dbraw/zinc/15/99/72/536159972.db2.gz CLWAUTHVDIFOEU-LBPRGKRZSA-N 1 0 346.439 1.255 10 0 EDAERO CCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000246436855 536162293 /nfs/dbraw/zinc/16/22/93/536162293.db2.gz UACWCKORLXFNRX-MJBXVCDLSA-N 1 0 334.468 1.279 10 0 EDAERO CN(CCCNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000248357392 536353766 /nfs/dbraw/zinc/35/37/66/536353766.db2.gz PLWBXLSWKDPCMH-IBGZPJMESA-N 1 0 344.503 1.799 10 0 EDAERO COCc1ccc(CNC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247398962 536772666 /nfs/dbraw/zinc/77/26/66/536772666.db2.gz PGMBVZQKDBFRAA-QAPCUYQASA-N 1 0 331.460 1.618 10 0 EDAERO COc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)ccc1OC(F)F ZINC000263132092 536868945 /nfs/dbraw/zinc/86/89/45/536868945.db2.gz BTTSTIKMYVYACA-JTQLQIEISA-N 1 0 340.330 1.923 10 0 EDAERO C[C@@H]1C[NH2+]C[C@H](c2nc(CC(=O)NCc3ccccc3F)no2)O1 ZINC000888078425 590935565 /nfs/dbraw/zinc/93/55/65/590935565.db2.gz QKCKMWCYQOGBDV-ZWNOBZJWSA-N 1 0 334.351 1.117 10 0 EDAERO Cc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc4c3OCO4)C2)n1 ZINC000888079030 590935644 /nfs/dbraw/zinc/93/56/44/590935644.db2.gz YKQKPLNRSSMMKK-KRWDZBQOSA-N 1 0 331.372 1.676 10 0 EDAERO Cc1nnc([C@H]2CC[N@@H+](C[C@@H]3CCCO[C@H]3c3ccnn3C)C2)[nH]1 ZINC000895013094 591522456 /nfs/dbraw/zinc/52/24/56/591522456.db2.gz XYFFFQFDEYODSE-OFQRWUPVSA-N 1 0 330.436 1.804 10 0 EDAERO Cc1oc2ccccc2c1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000862939234 596460008 /nfs/dbraw/zinc/46/00/08/596460008.db2.gz ZJJSVZRBDCOLJH-CABCVRRESA-N 1 0 339.399 1.960 10 0 EDAERO O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185147124 701653582 /nfs/dbraw/zinc/65/35/82/701653582.db2.gz RXUNDBFUFQJTPD-HUUCEWRRSA-N 1 0 346.427 1.271 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)C1 ZINC000182901186 701207158 /nfs/dbraw/zinc/20/71/58/701207158.db2.gz BQFFGFKPUZXWAA-PMPSAXMXSA-N 1 0 339.480 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CC[C@@H]1CN([C@@H](C)C(=O)N2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000105835713 441289217 /nfs/dbraw/zinc/28/92/17/441289217.db2.gz YEAGVKPDMPHRPI-DLBZAZTESA-N 1 0 325.497 1.676 10 0 EDAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000105865854 441296317 /nfs/dbraw/zinc/29/63/17/441296317.db2.gz OFUSNKQZSRUCCZ-IBGZPJMESA-N 1 0 342.487 1.758 10 0 EDAERO CN(Cc1nc(C2CC2)no1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863433 441293789 /nfs/dbraw/zinc/29/37/89/441293789.db2.gz HRWLYIAYQDTOCQ-UHFFFAOYSA-N 1 0 330.436 1.740 10 0 EDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1C(F)(F)F ZINC000105933431 441319923 /nfs/dbraw/zinc/31/99/23/441319923.db2.gz CCJGDBGDLAQHKT-VXGBXAGGSA-N 1 0 345.365 1.953 10 0 EDAERO COc1ccc(NC(=O)CCN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000106097894 441326195 /nfs/dbraw/zinc/32/61/95/441326195.db2.gz MVDZZKKELOLUJU-LSDHHAIUSA-N 1 0 335.448 1.411 10 0 EDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1 ZINC000106426260 441343232 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EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000249178138 139188610 /nfs/dbraw/zinc/18/86/10/139188610.db2.gz MPEXXPXIXUTYLE-DYVFJYSZSA-N 1 0 327.428 1.809 10 0 EDAERO Cc1ccc(CN(C(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C2CC2)o1 ZINC000252321471 139204173 /nfs/dbraw/zinc/20/41/73/139204173.db2.gz APGFJOWCJOMUBX-CABCVRRESA-N 1 0 349.475 1.466 10 0 EDAERO COc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1N1CCNC1=O ZINC000261733850 139221703 /nfs/dbraw/zinc/22/17/03/139221703.db2.gz DABCTPWPOYYMFV-HNNXBMFYSA-N 1 0 346.431 1.424 10 0 EDAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1 ZINC000261753802 139223262 /nfs/dbraw/zinc/22/32/62/139223262.db2.gz NQXMSBVVYAINLT-LBPRGKRZSA-N 1 0 332.404 1.345 10 0 EDAERO CNS(=O)(=O)c1ccc(/C=C/c2nc(C3([NH3+])CCCC3)no2)cc1 ZINC000261791511 139226349 /nfs/dbraw/zinc/22/63/49/139226349.db2.gz OOCXUIXXPGIQIG-RMKNXTFCSA-N 1 0 348.428 1.876 10 0 EDAERO CC1(C)CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000261792500 139226387 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10 0 EDAERO [NH3+][C@@H](C(=O)Nc1ccc(NC2CCOCC2)cc1)C1CCOCC1 ZINC000261927264 139237762 /nfs/dbraw/zinc/23/77/62/139237762.db2.gz ZLAQEOPCXKNOGZ-QGZVFWFLSA-N 1 0 333.432 1.970 10 0 EDAERO CN(CCOc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261913223 139236425 /nfs/dbraw/zinc/23/64/25/139236425.db2.gz JFSLWOPLZPRLDD-SJORKVTESA-N 1 0 328.416 1.261 10 0 EDAERO C[C@H]1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000261917573 139236860 /nfs/dbraw/zinc/23/68/60/139236860.db2.gz YKPJJNOFUXCXDM-DOTOQJQBSA-N 1 0 346.475 1.804 10 0 EDAERO CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261923324 139237289 /nfs/dbraw/zinc/23/72/89/139237289.db2.gz KOVDLAUIIMKIEP-CVEARBPZSA-N 1 0 327.388 1.320 10 0 EDAERO C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccc(F)cc1 ZINC000261937314 139238419 /nfs/dbraw/zinc/23/84/19/139238419.db2.gz MKHRREJHZWYHKF-JLZZUVOBSA-N 1 0 330.407 1.782 10 0 EDAERO Cc1cccc(O[C@H](C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262142520 139254577 /nfs/dbraw/zinc/25/45/77/139254577.db2.gz HHUKCAHLCHMPDH-OLMNPRSZSA-N 1 0 342.443 1.615 10 0 EDAERO CC1(C)CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000262152554 139255572 /nfs/dbraw/zinc/25/55/72/139255572.db2.gz XMQJLEIGJYCADL-CYBMUJFWSA-N 1 0 344.864 1.700 10 0 EDAERO CO[C@@H](C)c1nc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cs1 ZINC000262152291 139255591 /nfs/dbraw/zinc/25/55/91/139255591.db2.gz HVNYJYCNPDSMSI-GDLCADMTSA-N 1 0 349.460 1.203 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000174577772 207034110 /nfs/dbraw/zinc/03/41/10/207034110.db2.gz IACDOLNDNJLXRF-ZDUSSCGKSA-N 1 0 332.404 1.648 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000174979306 207079016 /nfs/dbraw/zinc/07/90/16/207079016.db2.gz VSBRZGOBNNXOFH-MGPQQGTHSA-N 1 0 335.473 1.952 10 0 EDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccccc2-n2ccnc2)cn1 ZINC000262286570 139266741 /nfs/dbraw/zinc/26/67/41/139266741.db2.gz OHCYKCGPSURVJA-CABCVRRESA-N 1 0 336.399 1.548 10 0 EDAERO CC1(C)CN(S(=O)(=O)c2cccc3nsnc32)CC[C@H]1[NH3+] ZINC000262291290 139267161 /nfs/dbraw/zinc/26/71/61/139267161.db2.gz MZCNPJPUCSFMMW-LLVKDONJSA-N 1 0 326.447 1.439 10 0 EDAERO CN[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000262320611 139269827 /nfs/dbraw/zinc/26/98/27/139269827.db2.gz FEOQXQYGRUIRET-JKSUJKDBSA-N 1 0 333.411 1.239 10 0 EDAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]1 ZINC000262383817 139275046 /nfs/dbraw/zinc/27/50/46/139275046.db2.gz OJESOLVHFVZQRX-DKIMLUQUSA-N 1 0 332.444 1.726 10 0 EDAERO CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000262455267 139280205 /nfs/dbraw/zinc/28/02/05/139280205.db2.gz FEMKBBBGRNNBJM-OLZOCXBDSA-N 1 0 330.350 1.822 10 0 EDAERO COc1ccc(C(=O)N[C@H](C(=O)N(C)CC(C)(C)C[NH3+])C(C)C)cc1 ZINC000262574224 139287592 /nfs/dbraw/zinc/28/75/92/139287592.db2.gz DEBHZNWHJLQMKQ-INIZCTEOSA-N 1 0 349.475 1.893 10 0 EDAERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1N1CCOCC1 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COC(=O)[C@@]1(C)CCCN1CCC[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186399333 442526854 /nfs/dbraw/zinc/52/68/54/442526854.db2.gz NMOMSGGTKSUJKG-CALCHBBNSA-N 1 0 326.437 1.432 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNC(=O)c2occc2C)C1 ZINC000157385516 442578811 /nfs/dbraw/zinc/57/88/11/442578811.db2.gz JVLZGMCXENQKAE-CQSZACIVSA-N 1 0 336.436 1.491 10 0 EDAERO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000186744658 442604025 /nfs/dbraw/zinc/60/40/25/442604025.db2.gz UYDHNMQFZOERPZ-CYBMUJFWSA-N 1 0 325.453 1.796 10 0 EDAERO CC[C@H]1CN([C@@H]2CCc3ccccc3NC2=O)CC[N@@H+]1CCOC ZINC000192001682 442561934 /nfs/dbraw/zinc/56/19/34/442561934.db2.gz NRGYOWHMMFGFCB-FUHWJXTLSA-N 1 0 331.460 1.983 10 0 EDAERO O=C(NCCC[C@H]1CCCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000186595267 442569036 /nfs/dbraw/zinc/56/90/36/442569036.db2.gz LWQLOFHICPVAFN-HZPDHXFCSA-N 1 0 325.453 1.452 10 0 EDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cncc(Cl)n2)CC1 ZINC000192361103 442639722 /nfs/dbraw/zinc/63/97/22/442639722.db2.gz KAPYKHBOXRDEEY-NSHDSACASA-N 1 0 326.828 1.295 10 0 EDAERO C[C@H](CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000192390855 442644101 /nfs/dbraw/zinc/64/41/01/442644101.db2.gz MPDVUJLTONTPFW-ZIAGYGMSSA-N 1 0 325.453 1.986 10 0 EDAERO CC(C)c1nnc2n1C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)CC2 ZINC000181410936 442695851 /nfs/dbraw/zinc/69/58/51/442695851.db2.gz RROASPLAIFNGMZ-HNNXBMFYSA-N 1 0 348.495 1.892 10 0 EDAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181565332 442703807 /nfs/dbraw/zinc/70/38/07/442703807.db2.gz BAWVDGDZSWDOHN-RYUDHWBXSA-N 1 0 327.450 1.145 10 0 EDAERO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1OC ZINC000193127204 442715784 /nfs/dbraw/zinc/71/57/84/442715784.db2.gz XUPSVVWADXYRPH-IPYPFGDCSA-N 1 0 336.432 1.866 10 0 EDAERO Cc1cnc(CNC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000181853874 442719181 /nfs/dbraw/zinc/71/91/81/442719181.db2.gz TWEIVYRNQKICPV-LBPRGKRZSA-N 1 0 340.493 1.686 10 0 EDAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000193364372 442736025 /nfs/dbraw/zinc/73/60/25/442736025.db2.gz LAHLRFQIWHXAPG-DZGCQCFKSA-N 1 0 329.462 1.918 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC(=O)OC(C)(C)C ZINC000182211660 442745957 /nfs/dbraw/zinc/74/59/57/442745957.db2.gz FMAAPYSTBQDQHE-UONOGXRCSA-N 1 0 325.453 1.003 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Br)n2)CCO1 ZINC000188477875 442754818 /nfs/dbraw/zinc/75/48/18/442754818.db2.gz LVVKJCGDOMVZCG-SNVBAGLBSA-N 1 0 343.225 1.638 10 0 EDAERO CC[C@@H]1CN(C(=O)NCCc2c(C)noc2C)CC[N@@H+]1C[C@@H](C)O ZINC000181727822 442712973 /nfs/dbraw/zinc/71/29/73/442712973.db2.gz IRKVCECHSVLVFJ-IUODEOHRSA-N 1 0 338.452 1.321 10 0 EDAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCOCC2)[C@H](C)C1 ZINC000246535149 442791013 /nfs/dbraw/zinc/79/10/13/442791013.db2.gz VZOBMVZOXQCBBB-PMPSAXMXSA-N 1 0 326.485 1.079 10 0 EDAERO CCC[NH+]1CCC(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000182354231 442759595 /nfs/dbraw/zinc/75/95/95/442759595.db2.gz KYMSODIUTPYYTG-INIZCTEOSA-N 1 0 333.480 1.688 10 0 EDAERO COc1c2cnn(C)c2ncc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000182386213 442762396 /nfs/dbraw/zinc/76/23/96/442762396.db2.gz RJTICMVVGYUKMM-GFCCVEGCSA-N 1 0 333.436 1.683 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCOCC(F)(F)F)C1 ZINC000246782157 442813067 /nfs/dbraw/zinc/81/30/67/442813067.db2.gz CLBZKPITJAVQBH-VXGBXAGGSA-N 1 0 325.375 1.983 10 0 EDAERO Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](N4CCOCC4)C3)C2=O)cc1 ZINC000246906829 442820726 /nfs/dbraw/zinc/82/07/26/442820726.db2.gz HZSZBWRZBCTTMI-MOPGFXCFSA-N 1 0 343.471 1.897 10 0 EDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C1 ZINC000246965935 442824863 /nfs/dbraw/zinc/82/48/63/442824863.db2.gz FXVJOXHESNTYHV-VHSXEESVSA-N 1 0 325.331 1.120 10 0 EDAERO CC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000182817828 442829901 /nfs/dbraw/zinc/82/99/01/442829901.db2.gz AOONJHUPCNNJAA-ZDUSSCGKSA-N 1 0 349.818 1.788 10 0 EDAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188860643 442830078 /nfs/dbraw/zinc/83/00/78/442830078.db2.gz SYIAYNYUWGHTIQ-INIZCTEOSA-N 1 0 336.480 1.561 10 0 EDAERO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000188903905 442839698 /nfs/dbraw/zinc/83/96/98/442839698.db2.gz OXKLZUMDBKCWAN-NVXWUHKLSA-N 1 0 349.479 1.130 10 0 EDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247234962 442842704 /nfs/dbraw/zinc/84/27/04/442842704.db2.gz ZMWNISDJCGUFNC-ARFHVFGLSA-N 1 0 338.496 1.950 10 0 EDAERO C[C@H](CCNC(=O)N1CC(NC(=O)C2CCC2)C1)[NH+]1CCCCC1 ZINC000188921630 442843105 /nfs/dbraw/zinc/84/31/05/442843105.db2.gz GPSUNWYZBQLKSI-CQSZACIVSA-N 1 0 336.480 1.561 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)C1 ZINC000247232409 442843344 /nfs/dbraw/zinc/84/33/44/442843344.db2.gz DBTFPTXPFIXVOK-IAGOWNOFSA-N 1 0 349.479 1.395 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)C1 ZINC000194180104 442858341 /nfs/dbraw/zinc/85/83/41/442858341.db2.gz XNSUNDFKBDBUCP-KRWDZBQOSA-N 1 0 331.464 1.393 10 0 EDAERO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183109808 442881202 /nfs/dbraw/zinc/88/12/02/442881202.db2.gz XLODUMIMWKWFBN-DOMZBBRYSA-N 1 0 326.824 1.992 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000248565207 442900938 /nfs/dbraw/zinc/90/09/38/442900938.db2.gz PIBIPJMCZFDQLL-ZIAGYGMSSA-N 1 0 333.498 1.229 10 0 EDAERO CC[C@@H]1CN(C(=O)/C=C/c2ccc(OC)c(O)c2)CC[N@@H+]1C[C@H](C)O ZINC000248504107 442897478 /nfs/dbraw/zinc/89/74/78/442897478.db2.gz VHGJOCXGJXLEIS-AFDQWNBZSA-N 1 0 348.443 1.718 10 0 EDAERO CN(C(=O)N[C@H]1CCCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000181809149 318490271 /nfs/dbraw/zinc/49/02/71/318490271.db2.gz CPPIDAODONMAES-INIZCTEOSA-N 1 0 349.479 1.558 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CCCO)c2ccccc2)C[C@H]1C ZINC000248648406 442913037 /nfs/dbraw/zinc/91/30/37/442913037.db2.gz UBNCKQINBOQUDP-SOLBZPMBSA-N 1 0 349.475 1.597 10 0 EDAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000183283379 442917430 /nfs/dbraw/zinc/91/74/30/442917430.db2.gz MNMCZPBVIRNAAC-AWEZNQCLSA-N 1 0 345.424 1.796 10 0 EDAERO CCO[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)[C@@H](C)CC)C12CCOCC2 ZINC000248730492 442921627 /nfs/dbraw/zinc/92/16/27/442921627.db2.gz PXUWDIHTHLLFIT-HRCADAONSA-N 1 0 341.496 1.990 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)C1 ZINC000194626488 442926872 /nfs/dbraw/zinc/92/68/72/442926872.db2.gz SHAICKSDKDONOH-HUUCEWRRSA-N 1 0 345.443 1.649 10 0 EDAERO NS(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195224278 442998425 /nfs/dbraw/zinc/99/84/25/442998425.db2.gz LRDCARZNCOGHCK-CYBMUJFWSA-N 1 0 338.433 1.036 10 0 EDAERO CC[NH+](CC)[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189463654 442960728 /nfs/dbraw/zinc/96/07/28/442960728.db2.gz BWWYMJUKPFKTLJ-KRWDZBQOSA-N 1 0 329.444 1.807 10 0 EDAERO CC1=C(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)[C@H](C)n2ncnc2N1C ZINC000249376723 442969366 /nfs/dbraw/zinc/96/93/66/442969366.db2.gz UGHSPUIRBICJDU-KBPBESRZSA-N 1 0 330.436 1.260 10 0 EDAERO C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000249578431 442989769 /nfs/dbraw/zinc/98/97/69/442989769.db2.gz QBWMRKKHCDSWKN-DOMZBBRYSA-N 1 0 331.420 1.099 10 0 EDAERO C[C@@H](C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)CS(C)(=O)=O ZINC000195289501 443005607 /nfs/dbraw/zinc/00/56/07/443005607.db2.gz QDROMNLNCDDHJT-DOTOQJQBSA-N 1 0 339.505 1.516 10 0 EDAERO CCCCN1CCOC[C@@H]1C(=O)NCCc1ccc2c(c1)CCO2 ZINC000189775699 443007740 /nfs/dbraw/zinc/00/77/40/443007740.db2.gz WHGDFUMWFHJGPJ-QGZVFWFLSA-N 1 0 332.444 1.781 10 0 EDAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CCO)CC[N@@H+]1C[C@H](C)O ZINC000251854668 443019173 /nfs/dbraw/zinc/01/91/73/443019173.db2.gz QVFYLWRZCICHNI-CAOSSQGBSA-N 1 0 327.469 1.024 10 0 EDAERO CC[C@H]1CN(c2ncc(I)cn2)CC[C@H]1[NH3+] ZINC000253177892 443048160 /nfs/dbraw/zinc/04/81/60/443048160.db2.gz QXHRRCORLYQLJA-WCBMZHEXSA-N 1 0 332.189 1.645 10 0 EDAERO CCCCN1CCOC[C@@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000184237418 443004882 /nfs/dbraw/zinc/00/48/82/443004882.db2.gz TWJAESCUWKPMPH-LJQANCHMSA-N 1 0 345.487 1.662 10 0 EDAERO Cc1cccc(CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000184910469 443096371 /nfs/dbraw/zinc/09/63/71/443096371.db2.gz KROUMUHJTMXQCC-OAHLLOKOSA-N 1 0 334.464 1.624 10 0 EDAERO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1 ZINC000190085771 443054674 /nfs/dbraw/zinc/05/46/74/443054674.db2.gz MGORNLUNNHLNSO-AAEUAGOBSA-N 1 0 332.404 1.032 10 0 EDAERO CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190084183 443054850 /nfs/dbraw/zinc/05/48/50/443054850.db2.gz IHCJQBLBUKVBRE-JSGCOSHPSA-N 1 0 349.406 1.858 10 0 EDAERO CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000255405614 443098314 /nfs/dbraw/zinc/09/83/14/443098314.db2.gz OHRFFSLJCPFMLV-NJJSNRSVSA-N 1 0 328.416 1.150 10 0 EDAERO CC(=O)NC1CN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000190247752 443076942 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ALYOQAJMXJXQQR-INMHGKMJSA-N 1 0 342.447 1.727 10 0 EDAERO C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262729901 139299502 /nfs/dbraw/zinc/29/95/02/139299502.db2.gz HYDQYUNGDHNIAH-DZGCQCFKSA-N 1 0 328.416 1.874 10 0 EDAERO COc1cc(OC)c(CNC(=O)C[C@H]2CSCC[NH2+]2)c(OC)c1 ZINC000262751871 139301244 /nfs/dbraw/zinc/30/12/44/139301244.db2.gz GTQPHURWOXWNBN-NSHDSACASA-N 1 0 340.445 1.424 10 0 EDAERO CCCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177684297 207376147 /nfs/dbraw/zinc/37/61/47/207376147.db2.gz WCSMMVFGZNMCTD-AWEZNQCLSA-N 1 0 331.416 1.721 10 0 EDAERO CSCc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000177682662 207376594 /nfs/dbraw/zinc/37/65/94/207376594.db2.gz QVFGFIMMOKGQMS-OAHLLOKOSA-N 1 0 333.457 1.795 10 0 EDAERO CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177687741 207377654 /nfs/dbraw/zinc/37/76/54/207377654.db2.gz RFKGALQOFKJRQE-OAHLLOKOSA-N 1 0 344.415 1.199 10 0 EDAERO CC(C)Cn1ncc2cc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cnc21 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C[C@H](NS(=O)(=O)c1ccsc1C[NH2+]C1CC1)[C@@H]1CCOC1 ZINC000167095785 226180103 /nfs/dbraw/zinc/18/01/03/226180103.db2.gz DGFAJVYBCLEVPY-WDEREUQCSA-N 1 0 330.475 1.703 10 0 EDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000122354477 222069931 /nfs/dbraw/zinc/06/99/31/222069931.db2.gz CKFAHBIHZHTRTF-UONOGXRCSA-N 1 0 334.468 1.849 10 0 EDAERO COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193449854 272993734 /nfs/dbraw/zinc/99/37/34/272993734.db2.gz YCJMNRKBVKRICC-SKDRFNHKSA-N 1 0 330.381 1.031 10 0 EDAERO Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000194744630 273005945 /nfs/dbraw/zinc/00/59/45/273005945.db2.gz OFNHKRSHOMJHLB-RDJZCZTQSA-N 1 0 331.460 1.960 10 0 EDAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000194744678 273005983 /nfs/dbraw/zinc/00/59/83/273005983.db2.gz OFNHKRSHOMJHLB-NVXWUHKLSA-N 1 0 331.460 1.960 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000132498754 273724540 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Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000631968164 450927279 /nfs/dbraw/zinc/92/72/79/450927279.db2.gz SGVKJCWCGXLVCQ-MNOVXSKESA-N 1 0 347.278 1.973 10 0 EDAERO CC(C)(C)[C@H](O)CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638279319 451398045 /nfs/dbraw/zinc/39/80/45/451398045.db2.gz PJDHNYARQMMZCM-QGZVFWFLSA-N 1 0 347.503 1.893 10 0 EDAERO [NH3+][C@H]1CCCCN(Cc2nc(-c3ccc4c(c3)CCO4)no2)C1=O ZINC000644513263 451833769 /nfs/dbraw/zinc/83/37/69/451833769.db2.gz VXRHMWFUEDXFPK-ZDUSSCGKSA-N 1 0 328.372 1.511 10 0 EDAERO CCN1CCO[C@@H](C[NH2+]Cc2c(C)noc2C)[C@@H]1c1cnn(C)c1 ZINC000657621092 452394013 /nfs/dbraw/zinc/39/40/13/452394013.db2.gz FAZWCTACBUIRGQ-IRXDYDNUSA-N 1 0 333.436 1.577 10 0 EDAERO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662744504 453473052 /nfs/dbraw/zinc/47/30/52/453473052.db2.gz PFSGVWLFKVKRIY-CEXWTWQISA-N 1 0 344.503 1.436 10 0 EDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000155784705 486152030 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CC(=O)N[C@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263296666 534649534 /nfs/dbraw/zinc/64/95/34/534649534.db2.gz WLLLCIHZFKNMNZ-CABCVRRESA-N 1 0 329.404 1.066 10 0 EDAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177522492 534851406 /nfs/dbraw/zinc/85/14/06/534851406.db2.gz RVSROYQKDRRLAR-ZNMIVQPWSA-N 1 0 328.412 1.766 10 0 EDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC000248577803 534896042 /nfs/dbraw/zinc/89/60/42/534896042.db2.gz HVKSOSHNAWXHRT-RRFJBIMHSA-N 1 0 337.464 1.748 10 0 EDAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000174004769 527024825 /nfs/dbraw/zinc/02/48/25/527024825.db2.gz XERMEBFGCPLFRB-LRDDRELGSA-N 1 0 339.461 1.652 10 0 EDAERO CC(C)([NH3+])C[S@](=O)CC(=O)Nc1ccc(Br)cc1 ZINC000166653588 527259317 /nfs/dbraw/zinc/25/93/17/527259317.db2.gz WKCYVKYREKTUFE-SFHVURJKSA-N 1 0 333.251 1.874 10 0 EDAERO CC(C)([NH3+])C[S@@](=O)CC(=O)Nc1ccc(Br)cc1 ZINC000166653467 527260480 /nfs/dbraw/zinc/26/04/80/527260480.db2.gz WKCYVKYREKTUFE-GOSISDBHSA-N 1 0 333.251 1.874 10 0 EDAERO CC(=O)c1ccc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nc1 ZINC000181049419 527289615 /nfs/dbraw/zinc/28/96/15/527289615.db2.gz ZMMJZWMACZBWJS-GOSISDBHSA-N 1 0 346.475 1.515 10 0 EDAERO CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000184011718 528282835 /nfs/dbraw/zinc/28/28/35/528282835.db2.gz LNZCFCARGORRFB-AAEUAGOBSA-N 1 0 337.424 1.447 10 0 EDAERO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173907321 528456886 /nfs/dbraw/zinc/45/68/86/528456886.db2.gz MEEDFNFXRCTMQU-KRWDZBQOSA-N 1 0 338.496 1.367 10 0 EDAERO CCOc1ccccc1C(=O)NCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155619088 528709123 /nfs/dbraw/zinc/70/91/23/528709123.db2.gz LQLTVTBDICZICP-HOCLYGCPSA-N 1 0 347.459 1.660 10 0 EDAERO CCOc1ccccc1C(=O)NCCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157774679 528710477 /nfs/dbraw/zinc/71/04/77/528710477.db2.gz WRTVRFZAKUIAKQ-HOCLYGCPSA-N 1 0 347.459 1.839 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000174237685 529054517 /nfs/dbraw/zinc/05/45/17/529054517.db2.gz WNFKBPZJAVGLHF-IAGOWNOFSA-N 1 0 338.496 1.367 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000174079697 529228926 /nfs/dbraw/zinc/22/89/26/529228926.db2.gz PBZJWNMFRZXUIY-CVEARBPZSA-N 1 0 342.867 1.468 10 0 EDAERO CC[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC[N@@H+]1C[C@@H](C)O ZINC000174590390 529346244 /nfs/dbraw/zinc/34/62/44/529346244.db2.gz ZJBSNKMQGAAYLC-WQELODFKSA-N 1 0 346.427 1.732 10 0 EDAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246272425 534922555 /nfs/dbraw/zinc/92/25/55/534922555.db2.gz HGTDLHCECKZUIP-HIFRSBDPSA-N 1 0 333.432 1.479 10 0 EDAERO CC(C)c1nnc2n1C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)CC2 ZINC000181559910 535028759 /nfs/dbraw/zinc/02/87/59/535028759.db2.gz MHIWSWGPZZEVDO-OAHLLOKOSA-N 1 0 348.495 1.747 10 0 EDAERO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000262111220 535158047 /nfs/dbraw/zinc/15/80/47/535158047.db2.gz IPYWKPAEYCTQRW-KBXCAEBGSA-N 1 0 337.464 1.162 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000245574197 535256668 /nfs/dbraw/zinc/25/66/68/535256668.db2.gz ZGFUHOYHKDCTGM-MLGOLLRUSA-N 1 0 331.416 1.500 10 0 EDAERO CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])C2)no1 ZINC000261879466 535379225 /nfs/dbraw/zinc/37/92/25/535379225.db2.gz TXSKWQJDQXMONA-QLFBSQMISA-N 1 0 349.479 1.601 10 0 EDAERO CCCn1c(=O)[nH]c(=O)c2cc(-c3nc(C[C@H](C)[NH2+]C)no3)cnc21 ZINC000261862795 535592632 /nfs/dbraw/zinc/59/26/32/535592632.db2.gz UMMNNGPVNPYVEM-VIFPVBQESA-N 1 0 344.375 1.108 10 0 EDAERO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)C1 ZINC000248647407 535782217 /nfs/dbraw/zinc/78/22/17/535782217.db2.gz SUYZZDZBVCXSIM-RRFJBIMHSA-N 1 0 326.437 1.781 10 0 EDAERO CCc1nn(C)c(OC)c1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246298176 536183997 /nfs/dbraw/zinc/18/39/97/536183997.db2.gz CWDSQSBSSKIZOF-CHWSQXEVSA-N 1 0 335.452 1.369 10 0 EDAERO COc1ccc(-c2nnc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)[nH]2)cc1 ZINC000120606528 536515932 /nfs/dbraw/zinc/51/59/32/536515932.db2.gz PHBPXZPZURWXCC-ZDUSSCGKSA-N 1 0 344.419 1.326 10 0 EDAERO COc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)c1 ZINC000249127573 536732480 /nfs/dbraw/zinc/73/24/80/536732480.db2.gz COWDZMBZESYJKX-ZIAGYGMSSA-N 1 0 331.416 1.637 10 0 EDAERO COC(=O)c1ccc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247077155 536744011 /nfs/dbraw/zinc/74/40/11/536744011.db2.gz HRWXBFLSCGILJL-CJNGLKHVSA-N 1 0 331.416 1.580 10 0 EDAERO COCC1(C(=O)NCC[S@@](=O)Cc2ccccc2)CC[NH2+]CC1 ZINC000262436624 536812545 /nfs/dbraw/zinc/81/25/45/536812545.db2.gz XIBBWLGODZWDCL-HSZRJFAPSA-N 1 0 338.473 1.068 10 0 EDAERO CC(=O)O[C@@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3C)[C@@H]1O5 ZINC000061947365 574415358 /nfs/dbraw/zinc/41/53/58/574415358.db2.gz JJGYGPZNTOPXGV-LMILNIMJSA-N 1 0 327.380 1.769 10 0 endogenous,in-vitro EDAERO CCOc1ccnc(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)n1 ZINC000896197487 591380468 /nfs/dbraw/zinc/38/04/68/591380468.db2.gz MZUBDCIAQMOATK-AWEZNQCLSA-N 1 0 347.463 1.397 10 0 EDAERO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)c1coc2cc(O)ccc12 ZINC000823361623 594191914 /nfs/dbraw/zinc/19/19/14/594191914.db2.gz UXUFUAPQETUYMA-WQVCFCJDSA-N 1 0 330.384 1.856 10 0 EDAERO COCC[N@@H+]1CCN(CN2C(=O)CN(c3ccccc3)C2=O)C[C@H]1C ZINC000117323450 595627935 /nfs/dbraw/zinc/62/79/35/595627935.db2.gz SHADJUVJIZDKQW-OAHLLOKOSA-N 1 0 346.431 1.065 10 0 EDAERO CC[C@@H]1CN(CN2C(=O)C[C@H]2c2ccccc2)CC[N@@H+]1CCOC ZINC000117324039 595628543 /nfs/dbraw/zinc/62/85/43/595628543.db2.gz MRCCDFMZRCRQOA-MSOLQXFVSA-N 1 0 331.460 1.960 10 0 EDAERO CC[C@H]1CN(CN2C[C@H](c3ccccn3)CC2=O)CC[N@@H+]1CCOC ZINC000117325131 595629243 /nfs/dbraw/zinc/62/92/43/595629243.db2.gz BIZQLNVNFLYUGY-SJORKVTESA-N 1 0 346.475 1.398 10 0 EDAERO CN1CCCc2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc21 ZINC000184317772 703105536 /nfs/dbraw/zinc/10/55/36/703105536.db2.gz AECRWFIOIITBDV-IMJJTQAJSA-N 1 0 335.473 1.427 10 0 EDAERO C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000261905555 299064927 /nfs/dbraw/zinc/06/49/27/299064927.db2.gz PJEBOGOBCANSOP-LNSITVRQSA-N 1 0 339.461 1.419 10 0 EDAERO C[C@H]([NH3+])c1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)cc1 ZINC000050351205 214053709 /nfs/dbraw/zinc/05/37/09/214053709.db2.gz ANZRWNSMDHYHQZ-JTQLQIEISA-N 1 0 332.447 1.025 10 0 EDAERO C[NH2+][C@@](C)(CCCCn1nc(C)c(Br)c1C)C(N)=O ZINC000050595151 214061163 /nfs/dbraw/zinc/06/11/63/214061163.db2.gz DEOSCUJYSBZPKX-ZDUSSCGKSA-N 1 0 331.258 1.896 10 0 EDAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cnc2NC)C1 ZINC000050769956 214069282 /nfs/dbraw/zinc/06/92/82/214069282.db2.gz ALDFLGYQPZBMQC-JTQLQIEISA-N 1 0 341.253 1.957 10 0 EDAERO COCC[C@@H]([NH3+])C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000052792008 214145610 /nfs/dbraw/zinc/14/56/10/214145610.db2.gz HTYMUIAFOMDLDB-SECBINFHSA-N 1 0 345.193 1.523 10 0 EDAERO 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ZINC000137682900 527906177 /nfs/dbraw/zinc/90/61/77/527906177.db2.gz QEEZGJGAIPXRME-XQQFMLRXSA-N 1 0 327.222 1.992 10 0 EDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cccc(C(N)=O)c1 ZINC000179161393 527979961 /nfs/dbraw/zinc/97/99/61/527979961.db2.gz IZUVJGNFPLVWNQ-QGZVFWFLSA-N 1 0 346.475 1.748 10 0 EDAERO CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)COCc1ccccc1)CC2 ZINC000153652376 528109782 /nfs/dbraw/zinc/10/97/82/528109782.db2.gz XWMLHKIFODOJEX-QRVBRYPASA-N 1 0 349.471 1.816 10 0 EDAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)c1ccccc1 ZINC000155045203 528237277 /nfs/dbraw/zinc/23/72/77/528237277.db2.gz BLKIFMYDMHSOCS-SJORKVTESA-N 1 0 346.475 1.990 10 0 EDAERO CC1CC[NH+](CCNC(=O)N2CCC(Nc3cccnn3)CC2)CC1 ZINC000153490785 528242948 /nfs/dbraw/zinc/24/29/48/528242948.db2.gz RGINEGYYELKZDP-UHFFFAOYSA-N 1 0 346.479 1.794 10 0 EDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000154014122 528290178 /nfs/dbraw/zinc/29/01/78/528290178.db2.gz NFLSRYHGXXXAEU-NSHDSACASA-N 1 0 345.394 1.179 10 0 EDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)NCc1sccc1Br ZINC000148222497 528391707 /nfs/dbraw/zinc/39/17/07/528391707.db2.gz GHHFTGOCIXDADY-PSASIEDQSA-N 1 0 333.251 1.751 10 0 EDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)[C@]2(C)CCCS2)CC1 ZINC000164680471 528850563 /nfs/dbraw/zinc/85/05/63/528850563.db2.gz MZZWLRSDTFLDTO-WFASDCNBSA-N 1 0 329.535 1.871 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000132493349 529086863 /nfs/dbraw/zinc/08/68/63/529086863.db2.gz HAAGJZHVSXCAGG-CABCVRRESA-N 1 0 332.452 1.037 10 0 EDAERO CC[C@H]1CN(C(=O)NCCOCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000181888889 529272862 /nfs/dbraw/zinc/27/28/62/529272862.db2.gz YFQXIDHGRNIXTR-AEFFLSMTSA-N 1 0 349.475 1.690 10 0 EDAERO CC[C@@H]1CN(C(=O)Cn2ccc3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000174615938 529365356 /nfs/dbraw/zinc/36/53/56/529365356.db2.gz NIUUSWZEEHCRMJ-NVXWUHKLSA-N 1 0 329.444 1.945 10 0 EDAERO CC(C)N(Cc1ccccc1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927714 535100579 /nfs/dbraw/zinc/10/05/79/535100579.db2.gz IABGTGUWJCSVCS-GOSISDBHSA-N 1 0 333.476 1.686 10 0 EDAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H]2c2ccco2)C1 ZINC000246790935 535108424 /nfs/dbraw/zinc/10/84/24/535108424.db2.gz AJAUBQJSXMYRPV-IRXDYDNUSA-N 1 0 349.475 1.890 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000247311885 535256246 /nfs/dbraw/zinc/25/62/46/535256246.db2.gz LYRPMLREVAXKJP-GDBMZVCRSA-N 1 0 331.464 1.538 10 0 EDAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000195187140 535315946 /nfs/dbraw/zinc/31/59/46/535315946.db2.gz LMKPQCSZZYCRQE-DZGCQCFKSA-N 1 0 344.477 1.504 10 0 EDAERO CC1(C)CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1[NH3+] ZINC000261906882 535334132 /nfs/dbraw/zinc/33/41/32/535334132.db2.gz SKYIZUZCMNRRHK-OAHLLOKOSA-N 1 0 330.432 1.765 10 0 EDAERO CCN(CC)C(=O)COc1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262291711 535437253 /nfs/dbraw/zinc/43/72/53/535437253.db2.gz YNXQXMLJLPJIIQ-CYBMUJFWSA-N 1 0 333.432 1.728 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)C1 ZINC000249613084 535534874 /nfs/dbraw/zinc/53/48/74/535534874.db2.gz SHAICKSDKDONOH-LSDHHAIUSA-N 1 0 345.443 1.649 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000246226583 535578538 /nfs/dbraw/zinc/57/85/38/535578538.db2.gz WIIMLHJMMDDPCX-KBPBESRZSA-N 1 0 335.427 1.583 10 0 EDAERO CCOc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)C(C)C)cc1 ZINC000236910660 535707800 /nfs/dbraw/zinc/70/78/00/535707800.db2.gz VLJZUIVGPOWXRT-IAGOWNOFSA-N 1 0 347.459 1.693 10 0 EDAERO CCOc1ccc(OC)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261882721 535756052 /nfs/dbraw/zinc/75/60/52/535756052.db2.gz FODCEKCXLIDGAL-CABCVRRESA-N 1 0 344.415 1.769 10 0 EDAERO COc1cc(OC)cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261913457 536871353 /nfs/dbraw/zinc/87/13/53/536871353.db2.gz XWWIUVGTTUAKKX-AWEZNQCLSA-N 1 0 328.434 1.452 10 0 EDAERO COc1nccc(C[NH2+]C[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000888078667 590934664 /nfs/dbraw/zinc/93/46/64/590934664.db2.gz KHGWNZLAMDYJHW-CJNGLKHVSA-N 1 0 331.420 1.703 10 0 EDAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ocnc1C1CC1)C2 ZINC000888094574 591024659 /nfs/dbraw/zinc/02/46/59/591024659.db2.gz CGCKDUMSMHULQB-FAELENHSSA-N 1 0 333.432 1.762 10 0 EDAERO CN(C)c1nccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)n1 ZINC000895001742 591513566 /nfs/dbraw/zinc/51/35/66/591513566.db2.gz XIMKUHDVCIWYGK-GOSISDBHSA-N 1 0 325.416 1.172 10 0 EDAERO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)c1coc2cc(O)ccc12 ZINC000823361621 594191984 /nfs/dbraw/zinc/19/19/84/594191984.db2.gz UXUFUAPQETUYMA-MAZHCROVSA-N 1 0 330.384 1.856 10 0 EDAERO COCC[N@@H+]1CCN(Cn2nc(C)c(Br)c2C)C[C@H]1C ZINC000117323182 595628165 /nfs/dbraw/zinc/62/81/65/595628165.db2.gz QSQNCVFWAVELCE-LLVKDONJSA-N 1 0 345.285 1.872 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000125366232 597385493 /nfs/dbraw/zinc/38/54/93/597385493.db2.gz XXEWKWXBJJXRBE-GOEBONIOSA-N 1 0 349.500 1.926 10 0 EDAERO NNc1[nH+]cc(Br)cc1C(=O)N1CCCC[C@H]1CCO ZINC000051121847 214079076 /nfs/dbraw/zinc/07/90/76/214079076.db2.gz JANCDLZWAQOINZ-JTQLQIEISA-N 1 0 343.225 1.507 10 0 EDAERO NNc1[nH+]cc(Br)cc1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052016971 214113006 /nfs/dbraw/zinc/11/30/06/214113006.db2.gz NRUMJKLUBPVRJO-ZJUUUORDSA-N 1 0 329.198 1.163 10 0 EDAERO [NH3+][C@@H](CCN1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000053940069 214205798 /nfs/dbraw/zinc/20/57/98/214205798.db2.gz ZZJLNVJZYLXTHI-ZDUSSCGKSA-N 1 0 347.278 1.569 10 0 EDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000049737578 214030567 /nfs/dbraw/zinc/03/05/67/214030567.db2.gz RNTVUUAXJQGCSA-AWEZNQCLSA-N 1 0 328.482 1.815 10 0 EDAERO CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)c1cnn(C)c1 ZINC000180575383 529614305 /nfs/dbraw/zinc/61/43/05/529614305.db2.gz NXIKGJBPFKSYTD-GJZGRUSLSA-N 1 0 329.452 1.962 10 0 EDAERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000174093579 529702336 /nfs/dbraw/zinc/70/23/36/529702336.db2.gz UBBPZHZKAUAGBA-WBVHZDCISA-N 1 0 325.497 1.460 10 0 EDAERO CCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000174969875 529751254 /nfs/dbraw/zinc/75/12/54/529751254.db2.gz UACWCKORLXFNRX-MCIONIFRSA-N 1 0 334.468 1.279 10 0 EDAERO CNC(=O)COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171894930 529865363 /nfs/dbraw/zinc/86/53/63/529865363.db2.gz PKSQODGUVFGXRY-AWEZNQCLSA-N 1 0 332.404 1.123 10 0 EDAERO CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000157495738 529902732 /nfs/dbraw/zinc/90/27/32/529902732.db2.gz ZCHBWVWAZDDYJH-HNNXBMFYSA-N 1 0 348.447 1.047 10 0 EDAERO CNC(=O)[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000246041455 539466858 /nfs/dbraw/zinc/46/68/58/539466858.db2.gz NXIVGSHPJBAOTI-SQWLQELKSA-N 1 0 327.469 1.058 10 0 EDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000178639980 232329645 /nfs/dbraw/zinc/32/96/45/232329645.db2.gz MJFMYBKHGQTOHH-OAHLLOKOSA-N 1 0 337.851 1.615 10 0 EDAERO Cc1nccn1CC[C@@H](C)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000067727240 215197310 /nfs/dbraw/zinc/19/73/10/215197310.db2.gz CERTYFCLMSXWAX-CYBMUJFWSA-N 1 0 327.432 1.950 10 0 EDAERO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247441720 539678049 /nfs/dbraw/zinc/67/80/49/539678049.db2.gz SBBAUVWOLYVBRD-IUODEOHRSA-N 1 0 339.461 1.101 10 0 EDAERO NC(=S)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000104073387 219344562 /nfs/dbraw/zinc/34/45/62/219344562.db2.gz ZMWGVDMXAKLOAQ-UHFFFAOYSA-N 1 0 328.279 1.853 10 0 EDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cnc2ccccc2n1 ZINC000262478160 282803980 /nfs/dbraw/zinc/80/39/80/282803980.db2.gz XRBDDNBPRYELLJ-UHFFFAOYSA-N 1 0 337.387 1.478 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnn(Cc3ccccn3)c2)CCO1 ZINC000181217457 540126284 /nfs/dbraw/zinc/12/62/84/540126284.db2.gz JCACTRZJYLAOPF-MRXNPFEDSA-N 1 0 344.419 1.121 10 0 EDAERO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183210538 540136916 /nfs/dbraw/zinc/13/69/16/540136916.db2.gz HSJMDNULMFYUJW-ZUZCIYMTSA-N 1 0 348.382 1.205 10 0 EDAERO Cc1noc([C@H](C)N2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)n1 ZINC000184235855 235343423 /nfs/dbraw/zinc/34/34/23/235343423.db2.gz GRWRNMWAQMSFDL-AWEZNQCLSA-N 1 0 349.479 1.883 10 0 EDAERO Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000105871824 219572945 /nfs/dbraw/zinc/57/29/45/219572945.db2.gz ZVDHEVZSZLFMDS-HUUCEWRRSA-N 1 0 343.431 1.075 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000073722390 138220760 /nfs/dbraw/zinc/22/07/60/138220760.db2.gz YQUGBYUJUGMILK-IAGOWNOFSA-N 1 0 340.512 1.469 10 0 EDAERO CC(=O)N[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079451575 138261477 /nfs/dbraw/zinc/26/14/77/138261477.db2.gz ORIAFJPSQLWEOP-QGZVFWFLSA-N 1 0 332.448 1.558 10 0 EDAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCCC[C@@H]1O ZINC000091233182 138283386 /nfs/dbraw/zinc/28/33/86/138283386.db2.gz AAFICYZENADAEK-SJORKVTESA-N 1 0 332.448 1.901 10 0 EDAERO CC(C)CCNC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117468717 138312356 /nfs/dbraw/zinc/31/23/56/138312356.db2.gz JCBFUMGCKRXLGI-QGZVFWFLSA-N 1 0 340.512 1.469 10 0 EDAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)cn1 ZINC000116316018 138311753 /nfs/dbraw/zinc/31/17/53/138311753.db2.gz ZTLGZSYPGXBLQJ-LLVKDONJSA-N 1 0 347.444 1.399 10 0 EDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(=O)NC1CCCCC1 ZINC000124161555 138324297 /nfs/dbraw/zinc/32/42/97/138324297.db2.gz VWOWAFFQLGIVHC-MRXNPFEDSA-N 1 0 338.496 1.855 10 0 EDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000124375710 138326134 /nfs/dbraw/zinc/32/61/34/138326134.db2.gz JTLUJLJGMTVLDT-QGZVFWFLSA-N 1 0 348.495 1.820 10 0 EDAERO COCCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(Br)c1 ZINC000070294548 215686591 /nfs/dbraw/zinc/68/65/91/215686591.db2.gz WMRXBMPYJXDDFA-RISCZKNCSA-N 1 0 343.221 1.705 10 0 EDAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)ccc1Cl ZINC000036236131 213078168 /nfs/dbraw/zinc/07/81/68/213078168.db2.gz VIKGUTFHHPKXMR-MNOVXSKESA-N 1 0 333.613 1.819 10 0 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C[N@H+](CCN1CCOCC1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000112406589 220321086 /nfs/dbraw/zinc/32/10/86/220321086.db2.gz PITXHEWOLCWQIK-KRWDZBQOSA-N 1 0 342.867 1.482 10 0 EDAERO COc1ccc(Cl)cc1NCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263316183 139335476 /nfs/dbraw/zinc/33/54/76/139335476.db2.gz ZMSBCAWSEJTABH-LBPRGKRZSA-N 1 0 337.811 1.920 10 0 EDAERO CN1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000493176223 255194315 /nfs/dbraw/zinc/19/43/15/255194315.db2.gz GQNWDFQHAMFTNK-ZIAGYGMSSA-N 1 0 325.453 1.844 10 0 EDAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CCO1 ZINC000116900294 221009435 /nfs/dbraw/zinc/00/94/35/221009435.db2.gz QIQBCMGYPYQIPS-SECBINFHSA-N 1 0 338.351 1.055 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2)CCO1 ZINC000117023872 221022450 /nfs/dbraw/zinc/02/24/50/221022450.db2.gz CJQDIGXBUOSZOW-OAHLLOKOSA-N 1 0 325.840 1.855 10 0 EDAERO CC[C@H]1CN(C(=O)NCCCNc2ccccn2)CC[N@@H+]1CCOC ZINC000117479821 221070019 /nfs/dbraw/zinc/07/00/19/221070019.db2.gz PWVJQPGDZWDKGG-INIZCTEOSA-N 1 0 349.479 1.636 10 0 EDAERO O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000119251014 221276481 /nfs/dbraw/zinc/27/64/81/221276481.db2.gz GHBWAWLJJJDLSM-UHFFFAOYSA-N 1 0 345.447 1.460 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)CCO1 ZINC000155251775 224384988 /nfs/dbraw/zinc/38/49/88/224384988.db2.gz DONHPLGZRNJSFC-GFCCVEGCSA-N 1 0 332.379 1.618 10 0 EDAERO Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000155257390 224386180 /nfs/dbraw/zinc/38/61/80/224386180.db2.gz SMFXDQQEDZGZNG-OAHLLOKOSA-N 1 0 348.447 1.214 10 0 EDAERO COc1ncccc1C(=O)N1Cc2cncn2[C@H](C[NH+]2CCCC2)C1 ZINC000247849882 257676708 /nfs/dbraw/zinc/67/67/08/257676708.db2.gz OJQHKMCGTUXUSQ-OAHLLOKOSA-N 1 0 341.415 1.580 10 0 EDAERO O=C(NC[C@@H]1OC[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]12)c1ccno1 ZINC000247360548 257683201 /nfs/dbraw/zinc/68/32/01/257683201.db2.gz DUKCYBFWDUYUPW-UNEWFSDZSA-N 1 0 342.399 1.337 10 0 EDAERO Cc1nc(CNC(=O)c2cnn3c2C[C@@H](C[NH+](C)C)CC3)cs1 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O=C(NC[C@H]1CC[NH2+]C1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000333704423 141361906 /nfs/dbraw/zinc/36/19/06/141361906.db2.gz RHHVAQPRXFWRHU-GXTWGEPZSA-N 1 0 346.456 1.989 10 0 EDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC000181766880 533678060 /nfs/dbraw/zinc/67/80/60/533678060.db2.gz HUXQSTDVKJWAMI-HUUCEWRRSA-N 1 0 346.475 1.988 10 0 EDAERO Cc1cc(C)n(C[C@H]2CN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CCO2)n1 ZINC000111856426 287338638 /nfs/dbraw/zinc/33/86/38/287338638.db2.gz PSXMFZRAERIWEA-NVXWUHKLSA-N 1 0 349.479 1.393 10 0 EDAERO C[NH+](C)C[C@@H]1C[C@H](O)CN1C(=O)c1cccc(N)c1Br ZINC000158981746 225121571 /nfs/dbraw/zinc/12/15/71/225121571.db2.gz NNVRGDHYXVPLMM-UWVGGRQHSA-N 1 0 342.237 1.168 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1 ZINC000120705632 287363228 /nfs/dbraw/zinc/36/32/28/287363228.db2.gz BMQCMRURWUMIBW-KGLIPLIRSA-N 1 0 340.468 1.635 10 0 EDAERO Cc1cccc2c(O)c(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cnc12 ZINC000163730157 226012410 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CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000174933791 272936369 /nfs/dbraw/zinc/93/63/69/272936369.db2.gz QIFPBADBUGVCGR-UONOGXRCSA-N 1 0 337.464 1.986 10 0 EDAERO C[C@@](O)(C[NH+]1CCN(c2ncccc2C(N)=O)CC1)c1ccccc1 ZINC000075827986 274448225 /nfs/dbraw/zinc/44/82/25/274448225.db2.gz VQIGXLRLSCXDBW-LJQANCHMSA-N 1 0 340.427 1.210 10 0 EDAERO Cc1cn2c(ncc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c2=O)s1 ZINC000245549742 279004530 /nfs/dbraw/zinc/00/45/30/279004530.db2.gz ZOZYRCDNBFTSAW-ZYHUDNBSSA-N 1 0 332.429 1.373 10 0 EDAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000245980454 279364723 /nfs/dbraw/zinc/36/47/23/279364723.db2.gz AWGUTWGTQVUUSL-MGPQQGTHSA-N 1 0 346.518 1.533 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000173726036 281195218 /nfs/dbraw/zinc/19/52/18/281195218.db2.gz ZCELYBRFKXMIEC-NWDGAFQWSA-N 1 0 329.853 1.982 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCO1 ZINC000190042645 289202592 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CC[C@H]1CN(CC(=O)N(CC)C2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000105826249 441281510 /nfs/dbraw/zinc/28/15/10/441281510.db2.gz BIVOUPLJZNSLKO-SJORKVTESA-N 1 0 339.524 1.945 10 0 EDAERO CC[C@@H]1CN(CC(=O)NCc2ccccc2OC)CC[N@@H+]1CCOC ZINC000105835977 441288862 /nfs/dbraw/zinc/28/88/62/441288862.db2.gz SZTWALSEFGHLMJ-QGZVFWFLSA-N 1 0 349.475 1.354 10 0 EDAERO CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106424858 441342646 /nfs/dbraw/zinc/34/26/46/441342646.db2.gz QRMTVTLTJIRGKK-INIZCTEOSA-N 1 0 333.432 1.460 10 0 EDAERO CC(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)N1CCOCC1 ZINC000106428546 441343049 /nfs/dbraw/zinc/34/30/49/441343049.db2.gz MXDCDKLPBDQHBW-RBUKOAKNSA-N 1 0 347.503 1.632 10 0 EDAERO O[C@@H](COCc1cccs1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105902216 441313272 /nfs/dbraw/zinc/31/32/72/441313272.db2.gz SNROHJRARHTOBW-OAHLLOKOSA-N 1 0 348.472 1.992 10 0 EDAERO CCOCC[N@@H+]1CCN(CC(=O)N(C)Cc2ccco2)C[C@H]1CC ZINC000105914953 441315861 /nfs/dbraw/zinc/31/58/61/441315861.db2.gz WBIQPWZMTICNDW-MRXNPFEDSA-N 1 0 337.464 1.671 10 0 EDAERO CCCNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000073800558 441356274 /nfs/dbraw/zinc/35/62/74/441356274.db2.gz HMMFFWYJZQNHJO-GOSISDBHSA-N 1 0 334.460 1.802 10 0 EDAERO O=C(NCCn1c(=O)oc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000106565421 441356579 /nfs/dbraw/zinc/35/65/79/441356579.db2.gz VYPCBMVTOILVSG-CQSZACIVSA-N 1 0 344.415 1.474 10 0 EDAERO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000028659439 441434976 /nfs/dbraw/zinc/43/49/76/441434976.db2.gz LNQACHIQZHRDJB-RHSMWYFYSA-N 1 0 336.432 1.378 10 0 EDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCOc2ccccc21 ZINC000108932569 441482167 /nfs/dbraw/zinc/48/21/67/441482167.db2.gz CRXPCKOYOVVYRF-JKSUJKDBSA-N 1 0 347.459 1.699 10 0 EDAERO C[N@@H+](CCc1ccccc1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CC2)O1 ZINC000030878698 441506570 /nfs/dbraw/zinc/50/65/70/441506570.db2.gz PKRMUHYJEJRDKY-FHWLQOOXSA-N 1 0 346.471 1.738 10 0 EDAERO 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C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000192870806 442694054 /nfs/dbraw/zinc/69/40/54/442694054.db2.gz UYOGHSBPDQMJBV-JTQLQIEISA-N 1 0 339.442 1.685 10 0 EDAERO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192530833 442659079 /nfs/dbraw/zinc/65/90/79/442659079.db2.gz CNLWDXNRZFWGKZ-MJBXVCDLSA-N 1 0 325.453 1.700 10 0 EDAERO Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000136413370 442662507 /nfs/dbraw/zinc/66/25/07/442662507.db2.gz SKEGNSIDQSKRCR-GJZGRUSLSA-N 1 0 348.447 1.597 10 0 EDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579440 442665408 /nfs/dbraw/zinc/66/54/08/442665408.db2.gz HWWXDTDOHCFYKX-NWDGAFQWSA-N 1 0 341.477 1.678 10 0 EDAERO COC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)oc1C ZINC000188222421 442726385 /nfs/dbraw/zinc/72/63/85/442726385.db2.gz AJDFXIJIPYYKSE-GFCCVEGCSA-N 1 0 346.449 1.629 10 0 EDAERO CC[C@@H](O)CN1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000182658568 442802499 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EDAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000237964388 139065251 /nfs/dbraw/zinc/06/52/51/139065251.db2.gz UYLMTOMWZVUTPQ-JTQLQIEISA-N 1 0 335.301 1.924 10 0 EDAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000246092652 139094611 /nfs/dbraw/zinc/09/46/11/139094611.db2.gz HFMMXPLNPUAMNF-KFWWJZLASA-N 1 0 334.468 1.780 10 0 EDAERO C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000246102837 139095101 /nfs/dbraw/zinc/09/51/01/139095101.db2.gz IPVSOVPUCDFVEG-QRQLOZEOSA-N 1 0 334.460 1.217 10 0 EDAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000246349698 139105080 /nfs/dbraw/zinc/10/50/80/139105080.db2.gz MJFMYBKHGQTOHH-HNNXBMFYSA-N 1 0 337.851 1.615 10 0 EDAERO CC(C)NC(=O)c1ccccc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246374026 139106086 /nfs/dbraw/zinc/10/60/86/139106086.db2.gz OEAZXDKYFWQNRU-HNNXBMFYSA-N 1 0 344.459 1.543 10 0 EDAERO COc1ccc(OCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246646281 139116307 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COC[C@H](C)NC(=O)COc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000052066776 214115106 /nfs/dbraw/zinc/11/51/06/214115106.db2.gz OSXYPAFOEKCVBL-UWVGGRQHSA-N 1 0 345.237 1.999 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000052740763 214141485 /nfs/dbraw/zinc/14/14/85/214141485.db2.gz HCEHNISLFSJGJL-HNNXBMFYSA-N 1 0 342.399 1.881 10 0 EDAERO Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000054111720 214217088 /nfs/dbraw/zinc/21/70/88/214217088.db2.gz YKVHZIFEKXVADN-UHFFFAOYSA-N 1 0 338.260 1.950 10 0 EDAERO CC(C)[N@H+](C)CCNS(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000054134461 214218439 /nfs/dbraw/zinc/21/84/39/214218439.db2.gz JWYFYVJKZIAHOF-UHFFFAOYSA-N 1 0 329.491 1.080 10 0 EDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173396973 230934262 /nfs/dbraw/zinc/93/42/62/230934262.db2.gz PXYGRHGLOVBSAD-OCCSQVGLSA-N 1 0 349.460 1.194 10 0 EDAERO COC(C)(C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174856479 231325998 /nfs/dbraw/zinc/32/59/98/231325998.db2.gz DXSKPJMFIUQEOS-QGZVFWFLSA-N 1 0 334.460 1.973 10 0 EDAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000174078267 529701215 /nfs/dbraw/zinc/70/12/15/529701215.db2.gz OGSAHUMCAOIJOQ-HKUYNNGSSA-N 1 0 347.503 1.812 10 0 EDAERO CCc1nc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)n[nH]1 ZINC000178500232 529703155 /nfs/dbraw/zinc/70/31/55/529703155.db2.gz ASSSHWOVDIOXOT-OAHLLOKOSA-N 1 0 325.416 1.954 10 0 EDAERO CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC000156529822 529751083 /nfs/dbraw/zinc/75/10/83/529751083.db2.gz SFWIENYKHSZGDX-HNNXBMFYSA-N 1 0 327.432 1.647 10 0 EDAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)C1(O)CCC1 ZINC000187752776 529865875 /nfs/dbraw/zinc/86/58/75/529865875.db2.gz KHVKUKMNLHYAKO-SFHVURJKSA-N 1 0 346.471 1.805 10 0 EDAERO C[NH2+]CCCn1cc(S(=O)(=O)N2CCSC(C)(C)C2)cn1 ZINC000159323063 529971978 /nfs/dbraw/zinc/97/19/78/529971978.db2.gz VSHFEKNMFSPZJL-UHFFFAOYSA-N 1 0 332.495 1.009 10 0 EDAERO CNS(=O)(=O)c1cc(C[NH2+]C2CC2)cc(C)c1Br ZINC000158877750 530026425 /nfs/dbraw/zinc/02/64/25/530026425.db2.gz BZJMTMBVDWPVKV-UHFFFAOYSA-N 1 0 333.251 1.918 10 0 EDAERO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177982272 232048512 /nfs/dbraw/zinc/04/85/12/232048512.db2.gz PTNBWEZHWGKEDK-RHSMWYFYSA-N 1 0 334.416 1.698 10 0 EDAERO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3noc4c3CCCC4)C2)[nH]n1 ZINC000067587900 215164471 /nfs/dbraw/zinc/16/44/71/215164471.db2.gz RMLREXSTUDVKMP-ZDUSSCGKSA-N 1 0 343.431 1.837 10 0 EDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cn1 ZINC000262304998 282680588 /nfs/dbraw/zinc/68/05/88/282680588.db2.gz PZIHNIGORYYYSH-QLFBSQMISA-N 1 0 345.472 1.933 10 0 EDAERO O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)N1CC[NH2+]CC1 ZINC000040860615 213395212 /nfs/dbraw/zinc/39/52/12/213395212.db2.gz RCOUWPGXKSFUHL-UHFFFAOYSA-N 1 0 343.758 1.921 10 0 EDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000040632858 213362701 /nfs/dbraw/zinc/36/27/01/213362701.db2.gz HXJNMXBOMNLUSE-UFBFGSQYSA-N 1 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138312891 /nfs/dbraw/zinc/31/28/91/138312891.db2.gz ODKFOSXEEJJHCW-CABCVRRESA-N 1 0 337.468 1.180 10 0 EDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3nc(C4CC4)no3)CC2)C1 ZINC000105845904 138302252 /nfs/dbraw/zinc/30/22/52/138302252.db2.gz MMGKIVLAZQCGJJ-MRXNPFEDSA-N 1 0 349.479 1.174 10 0 EDAERO CCc1nc2n(n1)C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)CC2 ZINC000114927550 138310935 /nfs/dbraw/zinc/31/09/35/138310935.db2.gz PGSQIJSPHZQXLC-AWEZNQCLSA-N 1 0 334.468 1.186 10 0 EDAERO O[C@@H](C[NH2+]Cc1ccc(Br)s1)CN1CCOCC1 ZINC000037977270 213179949 /nfs/dbraw/zinc/17/99/49/213179949.db2.gz QJPCDWUUNHZXLT-JTQLQIEISA-N 1 0 335.267 1.293 10 0 EDAERO CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000126571968 138338318 /nfs/dbraw/zinc/33/83/18/138338318.db2.gz PFHAFKQCQNCTMS-LLVKDONJSA-N 1 0 325.359 1.306 10 0 EDAERO CC[C@@H](SC)C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000130101712 138339885 /nfs/dbraw/zinc/33/98/85/138339885.db2.gz NZGOKPWCTVTNAB-HZPDHXFCSA-N 1 0 343.537 1.381 10 0 EDAERO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000131294892 138356397 /nfs/dbraw/zinc/35/63/97/138356397.db2.gz ODPKTLKQNIDJSZ-ZDUSSCGKSA-N 1 0 326.466 1.261 10 0 EDAERO COCCCOC1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000132449381 138377277 /nfs/dbraw/zinc/37/72/77/138377277.db2.gz GNBZNOZVISBXKU-WBVHZDCISA-N 1 0 341.496 1.942 10 0 EDAERO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(OC)c1 ZINC000036077223 213060171 /nfs/dbraw/zinc/06/01/71/213060171.db2.gz NGJCERAQFIZGKV-GFCCVEGCSA-N 1 0 328.434 1.466 10 0 EDAERO [NH3+]C[C@H]1c2c(c(Cl)ccc2Cl)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000071684322 215795213 /nfs/dbraw/zinc/79/52/13/215795213.db2.gz RJSRDJQZFUMXQS-PELKAZGASA-N 1 0 335.256 1.996 10 0 EDAERO CN1C(=O)c2ccc(NC(=O)Cc3csc(CC[NH3+])n3)cc2C1=O ZINC000071697171 215796772 /nfs/dbraw/zinc/79/67/72/215796772.db2.gz NPCHMHDEFHHINF-UHFFFAOYSA-N 1 0 344.396 1.051 10 0 EDAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000176600956 138711008 /nfs/dbraw/zinc/71/10/08/138711008.db2.gz CHDQQFZEIAMHII-CVEARBPZSA-N 1 0 346.479 1.935 10 0 EDAERO O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCS(=O)(=O)CC1 ZINC000072164081 216053417 /nfs/dbraw/zinc/05/34/17/216053417.db2.gz HIZVVUPWUINEQV-HNNXBMFYSA-N 1 0 336.457 1.099 10 0 EDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000189315839 138867486 /nfs/dbraw/zinc/86/74/86/138867486.db2.gz RCJIBERVMKBBBY-SKDRFNHKSA-N 1 0 333.251 1.868 10 0 EDAERO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261708428 284003404 /nfs/dbraw/zinc/00/34/04/284003404.db2.gz PHWADRLRJFXJQE-JHJVBQTASA-N 1 0 332.466 1.107 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2ccccc2Br)C1 ZINC000134602494 223512551 /nfs/dbraw/zinc/51/25/51/223512551.db2.gz NTRXCXZBMVXNFI-LLVKDONJSA-N 1 0 327.222 1.990 10 0 EDAERO C[N@H+](CCC(N)=S)CC(=O)Nc1ccc(Br)cc1 ZINC000019834906 212074071 /nfs/dbraw/zinc/07/40/71/212074071.db2.gz CNOXSGRNAMYOJG-UHFFFAOYSA-N 1 0 330.251 1.996 10 0 EDAERO CC(=O)Nc1ccc(S(=O)(=O)NCCCC[NH3+])c2ccccc12 ZINC000194742733 138999778 /nfs/dbraw/zinc/99/97/78/138999778.db2.gz PZLGQAPJTAABAO-UHFFFAOYSA-N 1 0 335.429 1.815 10 0 EDAERO O=C(CCCNC(=O)c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195041013 139005486 /nfs/dbraw/zinc/00/54/86/139005486.db2.gz FJZLGCOXIXVQNJ-QGZVFWFLSA-N 1 0 329.444 1.893 10 0 EDAERO O=C(CCNC(=O)OCC(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195048539 139005696 /nfs/dbraw/zinc/00/56/96/139005696.db2.gz YVARLQQSSWNKQB-LLVKDONJSA-N 1 0 337.342 1.362 10 0 EDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195096972 139006854 /nfs/dbraw/zinc/00/68/54/139006854.db2.gz YJJMHVANRSWGAA-GOEBONIOSA-N 1 0 330.432 1.893 10 0 EDAERO CCCCOC[C@@H](O)C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000195174838 139008836 /nfs/dbraw/zinc/00/88/36/139008836.db2.gz DGDSEFKRZMDZNZ-INIZCTEOSA-N 1 0 338.448 1.960 10 0 EDAERO Cc1ccc(NS(=O)(=O)N(C)CCC[NH3+])cc1C(F)(F)F ZINC000044270362 213616727 /nfs/dbraw/zinc/61/67/27/213616727.db2.gz 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CC(=O)c1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121826230 441789276 /nfs/dbraw/zinc/78/92/76/441789276.db2.gz FOKQMLKZHDXLNJ-MRXNPFEDSA-N 1 0 333.432 1.920 10 0 EDAERO O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173584266 441799462 /nfs/dbraw/zinc/79/94/62/441799462.db2.gz XLNGSXGLQKGZDX-CYBMUJFWSA-N 1 0 348.834 1.790 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)C1 ZINC000173763042 441836284 /nfs/dbraw/zinc/83/62/84/441836284.db2.gz BXBUZBKHHZMRCL-AWEZNQCLSA-N 1 0 325.453 1.796 10 0 EDAERO Cc1cnn(-c2ccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2)c1 ZINC000116783852 441843960 /nfs/dbraw/zinc/84/39/60/441843960.db2.gz YMOSCKYWVGABLF-KRWDZBQOSA-N 1 0 328.416 1.583 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1 ZINC000116786444 441844941 /nfs/dbraw/zinc/84/49/41/441844941.db2.gz LXXVJXUUPSMHSB-MRXNPFEDSA-N 1 0 331.416 1.216 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)CCO1 ZINC000116797526 441849118 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C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000151331670 442044258 /nfs/dbraw/zinc/04/42/58/442044258.db2.gz QPNXYVMJAQLZBD-YOEHRIQHSA-N 1 0 330.436 1.160 10 0 EDAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000151342640 442045371 /nfs/dbraw/zinc/04/53/71/442045371.db2.gz FXKGFVXWUGJRTO-QAPCUYQASA-N 1 0 329.448 1.765 10 0 EDAERO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000120384168 442061650 /nfs/dbraw/zinc/06/16/50/442061650.db2.gz VBJGEKBPCWIJBW-QWRGUYRKSA-N 1 0 327.812 1.851 10 0 EDAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175806830 442126874 /nfs/dbraw/zinc/12/68/74/442126874.db2.gz ABHHPAOUIONCJO-RDJZCZTQSA-N 1 0 340.464 1.020 10 0 EDAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000175961221 442154201 /nfs/dbraw/zinc/15/42/01/442154201.db2.gz QZKKPDYOKPJBMS-INIZCTEOSA-N 1 0 334.468 1.747 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000176273838 442203565 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C[C@H]1CN(c2ncc(I)cn2)C[C@@H]1[NH+](C)C ZINC000128046033 442241689 /nfs/dbraw/zinc/24/16/89/442241689.db2.gz MLQDWQURTWIYEG-WPRPVWTQSA-N 1 0 332.189 1.468 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000170670085 442246143 /nfs/dbraw/zinc/24/61/43/442246143.db2.gz BZSMPSYUBHUVHY-OAHLLOKOSA-N 1 0 341.477 1.181 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000170843588 442273591 /nfs/dbraw/zinc/27/35/91/442273591.db2.gz SUEIFQVJHVYBFT-AWEZNQCLSA-N 1 0 328.372 1.443 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000170855346 442275878 /nfs/dbraw/zinc/27/58/78/442275878.db2.gz ZGGYTNZTMQFCED-DLBZAZTESA-N 1 0 329.444 1.383 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000170862786 442278407 /nfs/dbraw/zinc/27/84/07/442278407.db2.gz UTVWKLQWOVVDMK-LBPRGKRZSA-N 1 0 327.222 1.990 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCCCc1ccccc1 ZINC000177023080 442286358 /nfs/dbraw/zinc/28/63/58/442286358.db2.gz GCMDDCJRNDWWFH-KRWDZBQOSA-N 1 0 331.460 1.678 10 0 EDAERO C[N@H+](CCCNC(=O)N[C@H]1CCCn2ncnc21)Cc1ccccc1 ZINC000177373812 442333136 /nfs/dbraw/zinc/33/31/36/442333136.db2.gz XSJBTJOAKSFXDY-INIZCTEOSA-N 1 0 342.447 1.934 10 0 EDAERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1nnc2n1CCCC2 ZINC000129987547 442336762 /nfs/dbraw/zinc/33/67/62/442336762.db2.gz OCRLYBAWJAPNDF-KGLIPLIRSA-N 1 0 334.468 1.849 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000130160315 442340074 /nfs/dbraw/zinc/34/00/74/442340074.db2.gz MJIGEJJZWSBQOB-HUUCEWRRSA-N 1 0 343.493 1.079 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000177437670 442341664 /nfs/dbraw/zinc/34/16/64/442341664.db2.gz QIROFJXNUDVBDX-ZDUSSCGKSA-N 1 0 331.420 1.113 10 0 EDAERO CC[N@H+](CCNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)C1CC1 ZINC000171366850 442343940 /nfs/dbraw/zinc/34/39/40/442343940.db2.gz URPANLBTTABGIR-AWEZNQCLSA-N 1 0 335.452 1.826 10 0 EDAERO O=C(c1ncccc1OCC(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177473163 442346362 /nfs/dbraw/zinc/34/63/62/442346362.db2.gz JLEAMJXXKCTQLC-NSHDSACASA-N 1 0 329.322 1.943 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000177674719 442368975 /nfs/dbraw/zinc/36/89/75/442368975.db2.gz STWZAPNEYPBPMB-LLVKDONJSA-N 1 0 343.786 1.207 10 0 EDAERO Cc1cc(C)c(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000177675796 442369571 /nfs/dbraw/zinc/36/95/71/442369571.db2.gz FOBODJJTFLFDTM-HNNXBMFYSA-N 1 0 333.432 1.339 10 0 EDAERO O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCN2CCCC[C@@H]2C1 ZINC000177687460 442370496 /nfs/dbraw/zinc/37/04/96/442370496.db2.gz DIABPRCIEMJSHZ-MRXNPFEDSA-N 1 0 343.406 1.776 10 0 EDAERO CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177696264 442372636 /nfs/dbraw/zinc/37/26/36/442372636.db2.gz LMMZOFWYNKLXAH-CYBMUJFWSA-N 1 0 332.404 1.114 10 0 EDAERO CCc1nc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)sc1C ZINC000155368298 442391384 /nfs/dbraw/zinc/39/13/84/442391384.db2.gz JNIALWSNKVGXQC-LBPRGKRZSA-N 1 0 326.466 1.215 10 0 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C[C@@H](Oc1ccc(Br)cc1[C@H](C)[NH3+])C(=O)NC(N)=O ZINC000052066384 214115549 /nfs/dbraw/zinc/11/55/49/214115549.db2.gz BENXRJPRKYUHIP-NKWVEPMBSA-N 1 0 330.182 1.431 10 0 EDAERO C[NH2+][C@H](c1cc2[nH]c(=O)[nH]c2cc1Br)[C@@H]1CCOC1 ZINC000052094476 214116723 /nfs/dbraw/zinc/11/67/23/214116723.db2.gz JXBRXHHFFGLART-KRTXAFLBSA-N 1 0 326.194 1.916 10 0 EDAERO CC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000055083851 214271013 /nfs/dbraw/zinc/27/10/13/214271013.db2.gz KETAEPNMIZJRTC-GFCCVEGCSA-N 1 0 331.507 1.354 10 0 EDAERO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]([NH+](C)C)C3)C2=O)cc1 ZINC000173916025 231068970 /nfs/dbraw/zinc/06/89/70/231068970.db2.gz HYOUZXGZQOXDRO-IRXDYDNUSA-N 1 0 344.459 1.836 10 0 EDAERO CCc1nn(C)c(C[C@@H]([NH3+])C2(OC)CCOCC2)c1Br ZINC000165412285 529766851 /nfs/dbraw/zinc/76/68/51/529766851.db2.gz TXCSWOFJIZADFT-GFCCVEGCSA-N 1 0 346.269 1.810 10 0 EDAERO CC[NH+](CC)CCNC(=O)CN1CCN(c2ccc(F)cc2)C1=O ZINC000049380231 214003487 /nfs/dbraw/zinc/00/34/87/214003487.db2.gz NCDLNUHWXPBWJQ-UHFFFAOYSA-N 1 0 336.411 1.526 10 0 EDAERO CN(CCC[NH3+])C(=O)CC[S@](=O)c1ccccc1Br ZINC000158833930 529886073 /nfs/dbraw/zinc/88/60/73/529886073.db2.gz JZOCEBAWIKNZFB-LJQANCHMSA-N 1 0 347.278 1.754 10 0 EDAERO CN(c1ncncc1I)[C@H]1CCCC[C@@H]1[NH3+] ZINC000167092992 530038872 /nfs/dbraw/zinc/03/88/72/530038872.db2.gz WFOONBXNWNVYBU-UWVGGRQHSA-N 1 0 332.189 1.787 10 0 EDAERO Cn1c(CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)n[nH]c1=S ZINC000067119057 215114302 /nfs/dbraw/zinc/11/43/02/215114302.db2.gz KCBROTQBSXRNLQ-CYBMUJFWSA-N 1 0 333.461 1.309 10 0 EDAERO CS(=O)(=O)c1ccc(S(=O)(=O)[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000068609798 215322721 /nfs/dbraw/zinc/32/27/21/215322721.db2.gz VUVXMOINARSVLB-SNVBAGLBSA-N 1 0 345.364 1.144 10 0 EDAERO CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000104189847 219357895 /nfs/dbraw/zinc/35/78/95/219357895.db2.gz ATPJABCGEURPNN-UHFFFAOYSA-N 1 0 326.249 1.758 10 0 EDAERO C[NH2+][C@@](C)(C[C@@H](C)Sc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000068642995 215324848 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CC1(C)CN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000261780523 139225341 /nfs/dbraw/zinc/22/53/41/139225341.db2.gz MWURNQLKAKMERR-SFHVURJKSA-N 1 0 344.503 1.390 10 0 EDAERO Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261825890 139229509 /nfs/dbraw/zinc/22/95/09/139229509.db2.gz KRKJXJJHWIKXSE-OAHLLOKOSA-N 1 0 338.473 1.745 10 0 EDAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000261898520 139235099 /nfs/dbraw/zinc/23/50/99/139235099.db2.gz USHOCOUFVPCTGT-BXKDBHETSA-N 1 0 345.321 1.544 10 0 EDAERO Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261902367 139235328 /nfs/dbraw/zinc/23/53/28/139235328.db2.gz WKLRNSHFCPBHNW-SMDDNHRTSA-N 1 0 330.436 1.260 10 0 EDAERO COC[C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112256101 220274732 /nfs/dbraw/zinc/27/47/32/220274732.db2.gz XWXVYTFAQHGJTG-CQSZACIVSA-N 1 0 333.432 1.733 10 0 EDAERO C[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000262178119 139257680 /nfs/dbraw/zinc/25/76/80/139257680.db2.gz KTDMBWPLNSIVSF-GFCCVEGCSA-N 1 0 335.835 1.480 10 0 EDAERO CN(C)S(=O)(=O)c1cccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262550243 139285932 /nfs/dbraw/zinc/28/59/32/139285932.db2.gz SHJJUNACXNGPSP-OAHLLOKOSA-N 1 0 325.478 1.496 10 0 EDAERO COc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1-n1nnnc1C1CC1 ZINC000262583807 139288357 /nfs/dbraw/zinc/28/83/57/139288357.db2.gz UYDIKKAFMDPIHJ-SNVBAGLBSA-N 1 0 342.403 1.342 10 0 EDAERO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262802638 139304689 /nfs/dbraw/zinc/30/46/89/139304689.db2.gz FFEGGDIFIGVCJT-DAXOMENPSA-N 1 0 335.423 1.837 10 0 EDAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000263150561 139325139 /nfs/dbraw/zinc/32/51/39/139325139.db2.gz CZYIVTYOINSAAP-CABCVRRESA-N 1 0 341.415 1.162 10 0 EDAERO COCCNC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C[NH3+] ZINC000166801302 533012412 /nfs/dbraw/zinc/01/24/12/533012412.db2.gz QZKGBORDGPIUGE-JTQLQIEISA-N 1 0 345.237 1.746 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)NC(=O)Nc2ccccc2)n1 ZINC000263184178 139327106 /nfs/dbraw/zinc/32/71/06/139327106.db2.gz HCQZHEAODHXHPY-CYBMUJFWSA-N 1 0 344.419 1.703 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000263193556 139327591 /nfs/dbraw/zinc/32/75/91/139327591.db2.gz IEBIMQQELQZAMA-CHWSQXEVSA-N 1 0 335.452 1.745 10 0 EDAERO Cc1nc(-c2cnn(C)c2)sc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263196468 139327778 /nfs/dbraw/zinc/32/77/78/139327778.db2.gz IMMHMZMZCNWWIH-NSHDSACASA-N 1 0 345.432 1.478 10 0 EDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Cc1cc(Br)ccc1OC ZINC000168253897 533039769 /nfs/dbraw/zinc/03/97/69/533039769.db2.gz WVJHHOAUKNOZEB-RYUDHWBXSA-N 1 0 328.206 1.804 10 0 EDAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnn3ccccc23)ncn1 ZINC000171627085 533050254 /nfs/dbraw/zinc/05/02/54/533050254.db2.gz XQBRILMLAGPQKO-OAHLLOKOSA-N 1 0 337.431 1.925 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(Oc3cnccn3)c2)n1 ZINC000263308137 139334769 /nfs/dbraw/zinc/33/47/69/139334769.db2.gz YEHKMOJUNHYLBO-CQSZACIVSA-N 1 0 338.371 1.895 10 0 EDAERO CCc1cc2c(C[NH2+]C[C@@H]3CN(C)CCO3)cc(=O)oc2cc1O ZINC000112548665 220347288 /nfs/dbraw/zinc/34/72/88/220347288.db2.gz UNVHABHKUDUTFE-CQSZACIVSA-N 1 0 332.400 1.481 10 0 EDAERO COc1ccc(CNC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000112712157 220382816 /nfs/dbraw/zinc/38/28/16/220382816.db2.gz FUTJZCDCEAXPTI-HNNXBMFYSA-N 1 0 349.475 1.929 10 0 EDAERO COc1cc2c(nc[nH+]c2NN2CCN(C)CC2)c(OC)c1OC ZINC000169937745 533147930 /nfs/dbraw/zinc/14/79/30/533147930.db2.gz MNPSPWQUOJVDDT-UHFFFAOYSA-N 1 0 333.392 1.230 10 0 EDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C\c2cncc(O)c2)CC1 ZINC000492443415 255176745 /nfs/dbraw/zinc/17/67/45/255176745.db2.gz PVLIMLAKKUEBDQ-VQTKUKTRSA-N 1 0 333.432 1.352 10 0 EDAERO Cc1nc(-c2ncccn2)sc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116793255 220993464 /nfs/dbraw/zinc/99/34/64/220993464.db2.gz FYJHZKWGGWUZFR-GFCCVEGCSA-N 1 0 347.444 1.311 10 0 EDAERO CC[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)CC[N@@H+]1CCOC ZINC000117309501 221051260 /nfs/dbraw/zinc/05/12/60/221051260.db2.gz SQWCFBXPDSKVNL-CQSZACIVSA-N 1 0 327.469 1.108 10 0 EDAERO CC[C@@H]1CN(C(=O)NCCc2nccs2)CC[N@@H+]1CCOC ZINC000117487582 221069813 /nfs/dbraw/zinc/06/98/13/221069813.db2.gz IEALYYNHDCPFLD-CYBMUJFWSA-N 1 0 326.466 1.438 10 0 EDAERO COCCN1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C[C@H]1C ZINC000117492784 221071250 /nfs/dbraw/zinc/07/12/50/221071250.db2.gz KUJDQDIZKHZCCV-OAHLLOKOSA-N 1 0 326.485 1.223 10 0 EDAERO COCCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC000117492480 221072558 /nfs/dbraw/zinc/07/25/58/221072558.db2.gz OLNZBJYKPYWZCE-SJORKVTESA-N 1 0 340.512 1.469 10 0 EDAERO COCCN1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117472145 221067221 /nfs/dbraw/zinc/06/72/21/221067221.db2.gz CQUDSBIDNXFTEC-QGZVFWFLSA-N 1 0 340.512 1.471 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2-n2cccn2)CCO1 ZINC000118803408 221186013 /nfs/dbraw/zinc/18/60/13/221186013.db2.gz HSEBMYQPGJVCSA-AWEZNQCLSA-N 1 0 329.404 1.667 10 0 EDAERO COc1ccc2c(c1)[C@]13CC[NH2+][C@H](C2)[C@]1(O)CCC1(C3)OCCO1 ZINC000065742928 258012183 /nfs/dbraw/zinc/01/21/83/258012183.db2.gz IMUVLRIUPLKNQH-ZHALLVOQSA-N 1 0 331.412 1.509 10 0 in-vitro EDAERO C[C@H]1CCN(c2ncncc2I)C[C@@H]1C[NH3+] ZINC000167680433 533653993 /nfs/dbraw/zinc/65/39/93/533653993.db2.gz WZLRHKVBHQTABZ-IUCAKERBSA-N 1 0 332.189 1.502 10 0 EDAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000333035465 141253334 /nfs/dbraw/zinc/25/33/34/141253334.db2.gz BHMDXIOBDFYSSY-STQMWFEESA-N 1 0 331.482 1.078 10 0 EDAERO CCN1CN(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)CC1=O ZINC000333062021 141257415 /nfs/dbraw/zinc/25/74/15/141257415.db2.gz SNMZXUXZDNSQQP-UHFFFAOYSA-N 1 0 345.403 1.233 10 0 EDAERO O=C(CN1CCC[C@@H](c2nnc[nH]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000333367641 141306411 /nfs/dbraw/zinc/30/64/11/141306411.db2.gz YKJTYTFUPBINDL-UKRRQHHQSA-N 1 0 341.415 1.624 10 0 EDAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)C1 ZINC000333650666 141350594 /nfs/dbraw/zinc/35/05/94/141350594.db2.gz JTXYRVOADRWOGW-ZACQAIPSSA-N 1 0 344.459 1.399 10 0 EDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000181611229 533676528 /nfs/dbraw/zinc/67/65/28/533676528.db2.gz UDWZAGSPOWIQHY-LSDHHAIUSA-N 1 0 343.431 1.791 10 0 EDAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CCOC)CC2)C12CCOCC2 ZINC000186278411 286489100 /nfs/dbraw/zinc/48/91/00/286489100.db2.gz CMIWUEOFFYJHGJ-SJORKVTESA-N 1 0 326.481 1.661 10 0 EDAERO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000372276479 156303233 /nfs/dbraw/zinc/30/32/33/156303233.db2.gz ZBIWXOBPGFMYNQ-GFCCVEGCSA-N 1 0 332.379 1.906 10 0 EDAERO CC[C@@H]1CN(CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000247179080 287186276 /nfs/dbraw/zinc/18/62/76/287186276.db2.gz NKTBXJHMTLCBLG-JKSUJKDBSA-N 1 0 337.508 1.697 10 0 EDAERO CC[C@@H]1CN(CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1CCOC ZINC000105837105 287186422 /nfs/dbraw/zinc/18/64/22/287186422.db2.gz RMQKDFFWDHIAOV-MRXNPFEDSA-N 1 0 337.508 1.963 10 0 EDAERO CC[C@@H]1CN(CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000105827429 287186430 /nfs/dbraw/zinc/18/64/30/287186430.db2.gz NKTBXJHMTLCBLG-HZPDHXFCSA-N 1 0 337.508 1.697 10 0 EDAERO CC[C@@H]1CN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000247138059 287209973 /nfs/dbraw/zinc/20/99/73/287209973.db2.gz KWLVYWJBOKLVJG-UYTYNIKBSA-N 1 0 339.524 1.941 10 0 EDAERO CCS(=O)(=O)[C@H]1CSCCN1c1ccc(C[C@@H](C)[NH3+])cn1 ZINC000158738068 225076443 /nfs/dbraw/zinc/07/64/43/225076443.db2.gz AWVCHGGUSSYWLW-RISCZKNCSA-N 1 0 329.491 1.285 10 0 EDAERO O=C1C(=O)N2CC[NH2+]C[C@@H]2CN1Cc1ccc(Cl)cc1Cl ZINC000162314896 225787946 /nfs/dbraw/zinc/78/79/46/225787946.db2.gz VPZDDAJOELPWTN-LLVKDONJSA-N 1 0 328.199 1.136 10 0 EDAERO Cc1ccc(Br)c(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000163968107 226033661 /nfs/dbraw/zinc/03/36/61/226033661.db2.gz YAWXJYJFWNFMLW-JTQLQIEISA-N 1 0 349.250 1.458 10 0 EDAERO CCS(=O)(=O)[C@H]1CSCCN1C(=O)C1(C[NH3+])CCCCC1 ZINC000165893869 226141002 /nfs/dbraw/zinc/14/10/02/226141002.db2.gz XVMNVOMTAGMISH-LBPRGKRZSA-N 1 0 334.507 1.232 10 0 EDAERO [NH3+]Cc1c(Br)cccc1N1CCN2C(=O)NC[C@H]2C1 ZINC000168322220 226211872 /nfs/dbraw/zinc/21/18/72/226211872.db2.gz SRBKQBHOAZESLA-VIFPVBQESA-N 1 0 325.210 1.122 10 0 EDAERO CCc1nn(CC)c(CC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1Br ZINC000168450816 226215614 /nfs/dbraw/zinc/21/56/14/226215614.db2.gz OIKFPJUEKQFMFS-FZMZJTMJSA-N 1 0 344.253 1.703 10 0 EDAERO CCc1ncsc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000124011894 222364670 /nfs/dbraw/zinc/36/46/70/222364670.db2.gz MOONRFCFDAZHRC-LBPRGKRZSA-N 1 0 325.478 1.870 10 0 EDAERO Cc1ccc(NC(=O)CSCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171584830 227154243 /nfs/dbraw/zinc/15/42/43/227154243.db2.gz WWVYBBHVXGXUGD-INIZCTEOSA-N 1 0 347.484 1.973 10 0 EDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc3cccnc32)CCO1 ZINC000172031769 227432884 /nfs/dbraw/zinc/43/28/84/227432884.db2.gz AKDFRLUAVYNUDF-AWEZNQCLSA-N 1 0 335.429 1.186 10 0 EDAERO CCC[C@@H](C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)[NH+](C)C ZINC000130688889 287497197 /nfs/dbraw/zinc/49/71/97/287497197.db2.gz TZZVVLGEYPPBFB-INIZCTEOSA-N 1 0 343.431 1.657 10 0 EDAERO CC(=O)NCCC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191978905 272983549 /nfs/dbraw/zinc/98/35/49/272983549.db2.gz LNOJLMHIMCZIRN-UHFFFAOYSA-N 1 0 327.469 1.251 10 0 EDAERO C[NH2+][C@@H](C(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1cnn(C)c1 ZINC000262593388 273017750 /nfs/dbraw/zinc/01/77/50/273017750.db2.gz WRAIRVYWIJDKOS-HZPDHXFCSA-N 1 0 348.834 1.934 10 0 EDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000247089632 287757831 /nfs/dbraw/zinc/75/78/31/287757831.db2.gz VSYRBQIDVBTGLH-YQQAZPJKSA-N 1 0 326.481 1.885 10 0 EDAERO COC(=O)[C@@H](c1ccccc1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246694389 277342624 /nfs/dbraw/zinc/34/26/24/277342624.db2.gz KHRBUAGXBYOEPE-MAUKXSAKSA-N 1 0 334.460 1.925 10 0 EDAERO C[C@@H]([NH3+])CCNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000178619125 277598029 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EDAERO C[C@H](C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262048773 139246604 /nfs/dbraw/zinc/24/66/04/139246604.db2.gz HCMXKZMMAYJNOR-HNNXBMFYSA-N 1 0 343.471 1.491 10 0 EDAERO COc1cccc(C[C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262150829 139255381 /nfs/dbraw/zinc/25/53/81/139255381.db2.gz HUCQNCRRBRQYTE-VHSSKADRSA-N 1 0 342.443 1.479 10 0 EDAERO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1Cn1ccnc1 ZINC000262881606 139310093 /nfs/dbraw/zinc/31/00/93/139310093.db2.gz ZANXWEIZKLLLQR-CABCVRRESA-N 1 0 328.420 1.309 10 0 EDAERO COCCN(Cc1ccc(C)o1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262882653 139310189 /nfs/dbraw/zinc/31/01/89/139310189.db2.gz ZEGAKOBQZGTRAX-HNNXBMFYSA-N 1 0 346.431 1.998 10 0 EDAERO Cc1ccc(N2C[C@@H](c3nc([C@H]4C[NH2+]CCN4C)no3)CC2=O)cc1 ZINC000263109118 139322732 /nfs/dbraw/zinc/32/27/32/139322732.db2.gz AFADINKLQPGXGT-DZGCQCFKSA-N 1 0 341.415 1.475 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000263150564 139325212 /nfs/dbraw/zinc/32/52/12/139325212.db2.gz CZYIVTYOINSAAP-LSDHHAIUSA-N 1 0 341.415 1.162 10 0 EDAERO C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000133114707 533015219 /nfs/dbraw/zinc/01/52/19/533015219.db2.gz ONGVIYTXXDSANE-JSGCOSHPSA-N 1 0 342.436 1.588 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2CN2CCOCC2)n1 ZINC000263306723 139334837 /nfs/dbraw/zinc/33/48/37/139334837.db2.gz XYVBJYBOZQGJSV-MRXNPFEDSA-N 1 0 343.431 1.145 10 0 EDAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000174437741 533088864 /nfs/dbraw/zinc/08/88/64/533088864.db2.gz RBCNEPZJSSHMBR-DGCLKSJQSA-N 1 0 342.486 1.362 10 0 EDAERO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000112548910 220347947 /nfs/dbraw/zinc/34/79/47/220347947.db2.gz ZOVIYMLYJRPWCK-HUUCEWRRSA-N 1 0 348.447 1.260 10 0 EDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000246933970 285194677 /nfs/dbraw/zinc/19/46/77/285194677.db2.gz MSMCVVQYCOOBHK-HUUCEWRRSA-N 1 0 346.479 1.478 10 0 EDAERO CCOCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccccc2)C[C@H]1CC ZINC000116977452 221018042 /nfs/dbraw/zinc/01/80/42/221018042.db2.gz VUTYDLRUEVZIEN-QGZVFWFLSA-N 1 0 347.459 1.376 10 0 EDAERO CC[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC000117306431 221050353 /nfs/dbraw/zinc/05/03/53/221050353.db2.gz KUCPHHANCRIJCP-MRXNPFEDSA-N 1 0 336.480 1.539 10 0 EDAERO CC[C@H](C)NC(=O)CCNC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117482786 221070062 /nfs/dbraw/zinc/07/00/62/221070062.db2.gz ASPSARRWWOTLDM-LSDHHAIUSA-N 1 0 342.484 1.043 10 0 EDAERO CC[C@@H]1CN(C(=O)NCc2cccnc2OC)CC[N@@H+]1CCOC ZINC000117476708 221068355 /nfs/dbraw/zinc/06/83/55/221068355.db2.gz FCXGUQWMCBSDNL-OAHLLOKOSA-N 1 0 336.436 1.342 10 0 EDAERO CCC[C@H](C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[NH+](C)C ZINC000119345713 221299615 /nfs/dbraw/zinc/29/96/15/221299615.db2.gz ZGIHWIXLAFSJIF-DOTOQJQBSA-N 1 0 347.459 1.513 10 0 EDAERO CCC[C@@H](C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[NH+](C)C ZINC000119345609 221300367 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Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCC[C@H]([NH3+])C3)cc12 ZINC000158604221 225051965 /nfs/dbraw/zinc/05/19/65/225051965.db2.gz SCEBSWDQDOCLMA-MNOVXSKESA-N 1 0 349.460 1.011 10 0 EDAERO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCC[C@H]([NH3+])C3)cc12 ZINC000158604061 225052138 /nfs/dbraw/zinc/05/21/38/225052138.db2.gz SCEBSWDQDOCLMA-QWRGUYRKSA-N 1 0 349.460 1.011 10 0 EDAERO [NH3+]CCCN1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000159510056 225231539 /nfs/dbraw/zinc/23/15/39/225231539.db2.gz RXKHEHBFXSUHTP-UHFFFAOYSA-N 1 0 333.661 1.968 10 0 EDAERO [NH3+][C@H]1CC[C@@H]2CN(c3ncc(I)cn3)C[C@@H]2C1 ZINC000159160663 225160729 /nfs/dbraw/zinc/16/07/29/225160729.db2.gz WUSSYBOISUSRHJ-YWVKMMECSA-N 1 0 344.200 1.645 10 0 EDAERO Cc1ccc([C@H](C[NH3+])N(C)CCS(C)(=O)=O)c(Br)c1 ZINC000164086772 226042328 /nfs/dbraw/zinc/04/23/28/226042328.db2.gz VGOIUOYYKSZIRZ-ZDUSSCGKSA-N 1 0 349.294 1.734 10 0 EDAERO C[C@@H](C[NH3+])S(=O)(=O)CC(=O)Nc1ccc(Br)cc1 ZINC000166486247 226160141 /nfs/dbraw/zinc/16/01/41/226160141.db2.gz BRTUZELIAGTDLJ-QMMMGPOBSA-N 1 0 335.223 1.150 10 0 EDAERO NC(=O)c1c(Br)cccc1N[C@@H]1[C@H]([NH3+])[C@H]2CCO[C@@H]21 ZINC000169087198 226232105 /nfs/dbraw/zinc/23/21/05/226232105.db2.gz UIWIIRUQXMQRMX-ZNHSANFISA-N 1 0 326.194 1.075 10 0 EDAERO COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000122596357 222120710 /nfs/dbraw/zinc/12/07/10/222120710.db2.gz WAGWABJUFLZBFQ-UONOGXRCSA-N 1 0 348.451 1.139 10 0 EDAERO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3CO)C2=O)c1 ZINC000125364674 222551947 /nfs/dbraw/zinc/55/19/47/222551947.db2.gz FBGGKLDQBJILAJ-BVGQSLNGSA-N 1 0 348.443 1.950 10 0 EDAERO C[NH2+][C@@H](C(=O)N(C)Cc1nc2ccccc2s1)c1cnn(C)c1 ZINC000262593331 273017740 /nfs/dbraw/zinc/01/77/40/273017740.db2.gz WPFDPLOKFWHHES-OAHLLOKOSA-N 1 0 329.429 1.949 10 0 EDAERO CCO[C@H]1C[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)C12CCOCC2 ZINC000186247534 267708250 /nfs/dbraw/zinc/70/82/50/267708250.db2.gz ZTOBYWSZSVOIEK-CABCVRRESA-N 1 0 348.509 1.222 10 0 EDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)NC(=O)Nc1ccccc1F ZINC000105872039 272920458 /nfs/dbraw/zinc/92/04/58/272920458.db2.gz STFBHVKQZFGDDV-MNOVXSKESA-N 1 0 346.366 1.058 10 0 EDAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000248887422 287782957 /nfs/dbraw/zinc/78/29/57/287782957.db2.gz VISSJXRDZRRTLQ-ZACQAIPSSA-N 1 0 341.496 1.728 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000119612273 276166463 /nfs/dbraw/zinc/16/64/63/276166463.db2.gz LRENVRCYIXXGQU-SNVBAGLBSA-N 1 0 346.357 1.306 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000174085262 276445471 /nfs/dbraw/zinc/44/54/71/276445471.db2.gz OAIPYWWRILZZNN-GOSISDBHSA-N 1 0 332.423 1.900 10 0 EDAERO CN(c1ccc2nccnc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000112080480 277002960 /nfs/dbraw/zinc/00/29/60/277002960.db2.gz KUCUWTNUXMFAJE-UHFFFAOYSA-N 1 0 337.431 1.822 10 0 EDAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CCCCC2 ZINC000162629476 278106198 /nfs/dbraw/zinc/10/61/98/278106198.db2.gz FWZKLRAJENEZLS-SECBINFHSA-N 1 0 331.463 1.113 10 0 EDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000174095012 280997627 /nfs/dbraw/zinc/99/76/27/280997627.db2.gz FMIZFFLEVNBWFS-SQNIBIBYSA-N 1 0 337.508 1.556 10 0 EDAERO C[N@@H+]1CC[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)[C@H]1c1ccccc1 ZINC000252033112 290134145 /nfs/dbraw/zinc/13/41/45/290134145.db2.gz ZZNIVHLPFFXCSY-IAGOWNOFSA-N 1 0 342.443 1.352 10 0 EDAERO CN1C(=O)C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H]1c1ccc(F)cc1 ZINC000192508877 290285143 /nfs/dbraw/zinc/28/51/43/290285143.db2.gz LAXSNELBMHKILR-CXHZTBPHSA-N 1 0 345.418 1.365 10 0 EDAERO COc1ccc(CCCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000057389859 441112482 /nfs/dbraw/zinc/11/24/82/441112482.db2.gz NLQUAXRTJQLMKF-QGZVFWFLSA-N 1 0 349.475 1.774 10 0 EDAERO CC(C)[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)[NH+]1CCC(C)CC1 ZINC000104782892 441207995 /nfs/dbraw/zinc/20/79/95/441207995.db2.gz STGVAIZTAOSFEX-DLBZAZTESA-N 1 0 340.512 1.373 10 0 EDAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104797352 441210349 /nfs/dbraw/zinc/21/03/49/441210349.db2.gz VKKGRBJKNFBXJZ-SFHVURJKSA-N 1 0 348.491 1.610 10 0 EDAERO Cc1ccc(N2CCC[N@H+](Cc3ccc(C(N)=O)cc3)CC2)nn1 ZINC000105801221 441273735 /nfs/dbraw/zinc/27/37/35/441273735.db2.gz FXJRZHYPOVXACJ-UHFFFAOYSA-N 1 0 325.416 1.596 10 0 EDAERO CC[C@@H]1CN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105824956 441280398 /nfs/dbraw/zinc/28/03/98/441280398.db2.gz GZLNLUMCDIFWIS-ZIFCJYIRSA-N 1 0 347.503 1.811 10 0 EDAERO COCC[N@@H+]1CCN(C[C@@H](O)COc2c(C)cccc2C)C[C@H]1C ZINC000105833229 441285043 /nfs/dbraw/zinc/28/50/43/441285043.db2.gz PTHIGMONWKECAB-QZTJIDSGSA-N 1 0 336.476 1.696 10 0 EDAERO CC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1CCOC ZINC000105836542 441288943 /nfs/dbraw/zinc/28/89/43/441288943.db2.gz UHZWNSROSPQOMY-UONOGXRCSA-N 1 0 342.484 1.042 10 0 EDAERO Cc1cc(NC(=O)CC[N@H+]2CCCN(Cc3cnn(C)c3)CC2)no1 ZINC000105869297 441299953 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KDMNMUCZISUFND-AWEZNQCLSA-N 1 0 326.441 1.391 10 0 EDAERO CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000066357310 287243313 /nfs/dbraw/zinc/24/33/13/287243313.db2.gz LSUWEJYKEURXMX-QGZVFWFLSA-N 1 0 346.475 1.819 10 0 EDAERO CCS(=O)(=O)[C@H]1CSCCN1c1ncc(CC[NH3+])cc1C ZINC000158738365 225075376 /nfs/dbraw/zinc/07/53/76/225075376.db2.gz QEOXHSVXHXBATL-ZDUSSCGKSA-N 1 0 329.491 1.205 10 0 EDAERO Nc1ncc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000158840995 225095297 /nfs/dbraw/zinc/09/52/97/225095297.db2.gz NVTYATQVXOVQQW-NXEZZACHSA-N 1 0 330.841 1.222 10 0 EDAERO Cc1cc(C)c2ncc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)c(O)c2c1 ZINC000163729767 226012721 /nfs/dbraw/zinc/01/27/21/226012721.db2.gz FQWMQZYOMFVAMV-CQSZACIVSA-N 1 0 343.427 1.960 10 0 EDAERO Cc1nn(CCS(=O)(=O)c2ccc(C(N)=[NH2+])cc2)cc1Cl ZINC000163293645 225952492 /nfs/dbraw/zinc/95/24/92/225952492.db2.gz HDSXJOKAHQPHLE-UHFFFAOYSA-N 1 0 326.809 1.603 10 0 EDAERO COCCN(CCO)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000164191444 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COc1cccc2c1CC[C@H]2NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000154775193 287649708 /nfs/dbraw/zinc/64/97/08/287649708.db2.gz ZZJIJOATIPSWNM-RHSMWYFYSA-N 1 0 347.459 1.829 10 0 EDAERO COc1ccc(F)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000190090252 274113001 /nfs/dbraw/zinc/11/30/01/274113001.db2.gz SQELFROSOGCDJZ-DGCLKSJQSA-N 1 0 335.379 1.468 10 0 EDAERO C[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000172759173 274195377 /nfs/dbraw/zinc/19/53/77/274195377.db2.gz MJQAIRBCLWRFGI-LPHOPBHVSA-N 1 0 343.471 1.366 10 0 EDAERO CCN(C)C(=O)[C@H](C)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082121590 276068217 /nfs/dbraw/zinc/06/82/17/276068217.db2.gz KCAQJSLIGNZDJR-ZDUSSCGKSA-N 1 0 330.432 1.752 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000176296965 276180462 /nfs/dbraw/zinc/18/04/62/276180462.db2.gz ZSJXIVNRJCVKIN-HNNXBMFYSA-N 1 0 343.435 1.919 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)ccc1OC ZINC000176889480 276369697 /nfs/dbraw/zinc/36/96/97/276369697.db2.gz JKPWYRRRYNUCPL-CQSZACIVSA-N 1 0 333.432 1.885 10 0 EDAERO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000178300698 276381012 /nfs/dbraw/zinc/38/10/12/276381012.db2.gz RSHUFUOQRWZGME-NVXWUHKLSA-N 1 0 333.480 1.209 10 0 EDAERO CC1(C)CN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC[C@@H]1[NH3+] ZINC000262042171 278322189 /nfs/dbraw/zinc/32/21/89/278322189.db2.gz QFRDSQDSCLQDHY-CABCVRRESA-N 1 0 343.427 1.091 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCN1c2ccccc2CC1=O ZINC000171012864 279127389 /nfs/dbraw/zinc/12/73/89/279127389.db2.gz WUHUBSUUJJXEAJ-MRXNPFEDSA-N 1 0 346.475 1.851 10 0 EDAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246155810 279271165 /nfs/dbraw/zinc/27/11/65/279271165.db2.gz PTVIJFDDTISDLL-BRWVUGGUSA-N 1 0 338.496 1.223 10 0 EDAERO C[C@H]([NH3+])C(=O)N1CCC2(C1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000095088844 279391809 /nfs/dbraw/zinc/39/18/09/279391809.db2.gz RLNKHIHQWAMLFV-HNNXBMFYSA-N 1 0 345.443 1.985 10 0 EDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cc2c(s1)CCOC2 ZINC000262390739 279397902 /nfs/dbraw/zinc/39/79/02/279397902.db2.gz MVZOBLJFCDFZAD-UHFFFAOYSA-N 1 0 347.444 1.669 10 0 EDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172755783 289367307 /nfs/dbraw/zinc/36/73/07/289367307.db2.gz OXAZTUKGLXFLCH-ZWKOTPCHSA-N 1 0 331.460 1.092 10 0 EDAERO Cc1nnc([C@H]2CN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CCO2)[nH]1 ZINC000173530459 293125433 /nfs/dbraw/zinc/12/54/33/293125433.db2.gz CKUPXDCPDIUBBU-JKSUJKDBSA-N 1 0 343.431 1.186 10 0 EDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000392874891 303851886 /nfs/dbraw/zinc/85/18/86/303851886.db2.gz RZLAFSGLZKHXFL-MELADBBJSA-N 1 0 325.453 1.890 10 0 EDAERO CC[NH+]1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000046344741 441101942 /nfs/dbraw/zinc/10/19/42/441101942.db2.gz CFOIRWVPQQBIMZ-CQSZACIVSA-N 1 0 343.265 1.826 10 0 EDAERO O=S(=O)(NCCC[NH+]1CCCC1)NCc1ccc(Cl)cc1 ZINC000013809051 441167028 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Cc1cc(NC(=O)CSCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)no1 ZINC000261816627 139228546 /nfs/dbraw/zinc/22/85/46/139228546.db2.gz HQJZGBHIPPDNDH-NSHDSACASA-N 1 0 340.449 1.241 10 0 EDAERO CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261908963 139236007 /nfs/dbraw/zinc/23/60/07/139236007.db2.gz XIQGHSVPDWRSNB-ZBFHGGJFSA-N 1 0 333.432 1.678 10 0 EDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCOc2cccc(Cl)c2)cn1 ZINC000261958414 139239950 /nfs/dbraw/zinc/23/99/50/139239950.db2.gz PFWILYOVXWIYEA-CVEARBPZSA-N 1 0 348.834 1.572 10 0 EDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC(OC3CCCC3)CC2)cn1 ZINC000262002876 139243116 /nfs/dbraw/zinc/24/31/16/139243116.db2.gz URWKXANUHKAYJK-MSOLQXFVSA-N 1 0 346.475 1.673 10 0 EDAERO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261986172 139241988 /nfs/dbraw/zinc/24/19/88/139241988.db2.gz MNTLSLUHIFBZMK-CRAIPNDOSA-N 1 0 335.423 1.777 10 0 EDAERO CN(C(=O)c1cc(=O)n(C)c2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262028497 139244906 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10 0 EDAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(Nc2cccnn2)CC1 ZINC000153197885 224072417 /nfs/dbraw/zinc/07/24/17/224072417.db2.gz AHILVQKGSJZIII-UHFFFAOYSA-N 1 0 344.463 1.689 10 0 EDAERO Cc1oc(-c2ccco2)nc1Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263197024 139327806 /nfs/dbraw/zinc/32/78/06/139327806.db2.gz INGWKZXJPMUQNF-LBPRGKRZSA-N 1 0 329.360 1.793 10 0 EDAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000263232292 139329895 /nfs/dbraw/zinc/32/98/95/139329895.db2.gz IMZGSYPYBMWFPS-UAKXVISKSA-N 1 0 341.814 1.551 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112471588 220333025 /nfs/dbraw/zinc/33/30/25/220333025.db2.gz HKVDLDQLSKSFQQ-TZMCWYRMSA-N 1 0 334.395 1.277 10 0 EDAERO C[N@H+](CCCNC(=O)N[C@H]1CCc2ncnn2C1)Cc1ccccc1 ZINC000112741175 220392822 /nfs/dbraw/zinc/39/28/22/220392822.db2.gz NKUXXLAAXQTEIN-INIZCTEOSA-N 1 0 342.447 1.414 10 0 EDAERO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495999199 255339276 /nfs/dbraw/zinc/33/92/76/255339276.db2.gz UGQKLSGRHXLHAF-GRDNDAEWSA-N 1 0 327.469 1.288 10 0 EDAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900526 221008817 /nfs/dbraw/zinc/00/88/17/221008817.db2.gz DUAQQPMJADUQCD-LBPRGKRZSA-N 1 0 332.853 1.600 10 0 EDAERO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000117023162 221022637 /nfs/dbraw/zinc/02/26/37/221022637.db2.gz WPWCGGXGYNJRTA-AAEUAGOBSA-N 1 0 327.375 1.998 10 0 EDAERO COc1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000117034471 221025359 /nfs/dbraw/zinc/02/53/59/221025359.db2.gz HDJSINOJEWAVDG-CYBMUJFWSA-N 1 0 325.384 1.306 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2c(F)cccc2F)CCO1 ZINC000117035914 221025676 /nfs/dbraw/zinc/02/56/76/221025676.db2.gz BYMJFJXFNVYLPH-GFCCVEGCSA-N 1 0 327.375 1.479 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(OCC3CC3)nc2)CCO1 ZINC000117041691 221027206 /nfs/dbraw/zinc/02/72/06/221027206.db2.gz XTMWJFGAGSQIAP-INIZCTEOSA-N 1 0 348.447 1.342 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(OCC3CC3)nc2)CCO1 ZINC000117041688 221027309 /nfs/dbraw/zinc/02/73/09/221027309.db2.gz XTMWJFGAGSQIAP-MRXNPFEDSA-N 1 0 348.447 1.342 10 0 EDAERO CC(C)[C@H](C)NC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117469411 221066863 /nfs/dbraw/zinc/06/68/63/221066863.db2.gz CIWWVDXCNPOTNW-DLBZAZTESA-N 1 0 340.512 1.467 10 0 EDAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc3cccnc32)CCO1 ZINC000117925093 221100050 /nfs/dbraw/zinc/10/00/50/221100050.db2.gz XDUJKNJRQSRAHJ-MRXNPFEDSA-N 1 0 349.456 1.327 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(N3CCCC3=O)c2)CCO1 ZINC000118797174 221185372 /nfs/dbraw/zinc/18/53/72/221185372.db2.gz ILWKKEFTOWSWJW-INIZCTEOSA-N 1 0 346.431 1.608 10 0 EDAERO CS[C@H](C)CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000119052988 221233295 /nfs/dbraw/zinc/23/32/95/221233295.db2.gz SFQSDHCXDCGJAG-CVEARBPZSA-N 1 0 343.537 1.381 10 0 EDAERO CC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000119764347 221394708 /nfs/dbraw/zinc/39/47/08/221394708.db2.gz WFXGLDCRTMUYGI-ROUUACIJSA-N 1 0 331.460 1.486 10 0 EDAERO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1 ZINC000183101160 533399890 /nfs/dbraw/zinc/39/98/90/533399890.db2.gz IBJMQAHMXKCGCD-CZUORRHYSA-N 1 0 342.461 1.473 10 0 EDAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000183753015 533574449 /nfs/dbraw/zinc/57/44/49/533574449.db2.gz VWCAPNJEMVIRAW-QWHCGFSZSA-N 1 0 330.388 1.496 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000246441918 287226833 /nfs/dbraw/zinc/22/68/33/287226833.db2.gz UEPHYSHZKRZZIS-ALLJEULLSA-N 1 0 329.510 1.802 10 0 EDAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1c1ncc(Cl)cc1Br ZINC000159698525 225263013 /nfs/dbraw/zinc/26/30/13/225263013.db2.gz UQABORXRIKUHLY-NXEZZACHSA-N 1 0 334.645 1.999 10 0 EDAERO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000162424072 225806836 /nfs/dbraw/zinc/80/68/36/225806836.db2.gz CBHHCCBDNKRRLJ-OAHLLOKOSA-N 1 0 334.468 1.356 10 0 EDAERO O=S1(=O)C[C@@H](O)[C@H](Oc2c(Cl)cccc2C[NH2+]C2CC2)C1 ZINC000165389475 226123636 /nfs/dbraw/zinc/12/36/36/226123636.db2.gz QGUMXNGZWBBNMF-CHWSQXEVSA-N 1 0 331.821 1.129 10 0 EDAERO C[C@](C(N)=O)(c1ccc(Br)cc1Cl)N1CC[NH2+]CC1 ZINC000168086174 226205543 /nfs/dbraw/zinc/20/55/43/226205543.db2.gz WWICIYQXXJVDMA-CYBMUJFWSA-N 1 0 346.656 1.708 10 0 EDAERO C[N@@H+]1CCC[C@@H]1CCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000123363783 222264036 /nfs/dbraw/zinc/26/40/36/222264036.db2.gz CREPENHUNITHJE-MOPGFXCFSA-N 1 0 347.503 1.528 10 0 EDAERO CC[C@H](O)C[NH+]1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000123562861 222297431 /nfs/dbraw/zinc/29/74/31/222297431.db2.gz QUEGXXFYRDJLRF-KRWDZBQOSA-N 1 0 349.475 1.042 10 0 EDAERO O=C(Nc1ccc(N2CCOC2=O)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171891210 227343660 /nfs/dbraw/zinc/34/36/60/227343660.db2.gz JEEOMERXHVIFCX-HNNXBMFYSA-N 1 0 330.388 1.955 10 0 EDAERO CCS[C@@H](C)c1noc(CN2CC[NH+](C[C@@H](O)CC)CC2)n1 ZINC000133980029 287547485 /nfs/dbraw/zinc/54/74/85/287547485.db2.gz FNNBITPNKPEZJZ-STQMWFEESA-N 1 0 328.482 1.772 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000188539499 272957859 /nfs/dbraw/zinc/95/78/59/272957859.db2.gz NUSSTLGOBLCPRK-DZGCQCFKSA-N 1 0 349.479 1.885 10 0 EDAERO C[C@H](C1CC1)n1cc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000189643829 272966748 /nfs/dbraw/zinc/96/67/48/272966748.db2.gz XOWOFDASNYVTCW-CJNGLKHVSA-N 1 0 335.452 1.822 10 0 EDAERO C[C@H]1CC[C@@H](C(N)=O)CN1c1cccc(Br)c1C[NH3+] ZINC000168296394 533686934 /nfs/dbraw/zinc/68/69/34/533686934.db2.gz VNBOSRPWJHXRSL-VHSXEESVSA-N 1 0 326.238 1.998 10 0 EDAERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000194722804 273005714 /nfs/dbraw/zinc/00/57/14/273005714.db2.gz QZEGABAFDJSUSW-UONOGXRCSA-N 1 0 325.453 1.844 10 0 EDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(-n2cccn2)nc1 ZINC000048135115 272914286 /nfs/dbraw/zinc/91/42/86/272914286.db2.gz MDACTPOHOCAZEM-HNNXBMFYSA-N 1 0 344.419 1.236 10 0 EDAERO C[NH2+][C@H](C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1)c1cnn(C)c1 ZINC000262519491 277296575 /nfs/dbraw/zinc/29/65/75/277296575.db2.gz KOJRAVVRFAFMJV-ZLIFDBKOSA-N 1 0 346.406 1.808 10 0 EDAERO CC[N@H+](CCNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000187742427 279204903 /nfs/dbraw/zinc/20/49/03/279204903.db2.gz RAKUYTIVNHAGQZ-GXTWGEPZSA-N 1 0 343.443 1.934 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000245631639 279313081 /nfs/dbraw/zinc/31/30/81/279313081.db2.gz QGTZMUWIMTYOKK-SOLBZPMBSA-N 1 0 347.434 1.946 10 0 EDAERO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237517690 279590079 /nfs/dbraw/zinc/59/00/79/279590079.db2.gz BEKLOHCWQHQVHT-FZMZJTMJSA-N 1 0 339.436 1.836 10 0 EDAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246309188 280245056 /nfs/dbraw/zinc/24/50/56/280245056.db2.gz CIZZEWZQRRGSFU-XMTFNYHQSA-N 1 0 337.508 1.819 10 0 EDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000174083575 280998167 /nfs/dbraw/zinc/99/81/67/280998167.db2.gz URZITBLQWJMOKN-WMZOPIPTSA-N 1 0 345.487 1.743 10 0 EDAERO [NH3+][C@H]1CCCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000158409717 295334508 /nfs/dbraw/zinc/33/45/08/295334508.db2.gz OFXLUIMLZXIYAJ-DZPQGLOJSA-N 1 0 348.491 1.594 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000171691586 302944689 /nfs/dbraw/zinc/94/46/89/302944689.db2.gz AMBAVZMRRNQUJG-KGLIPLIRSA-N 1 0 340.468 1.731 10 0 EDAERO O=C(COc1cccc(NC(=O)C2CC2)c1)NCC[C@H]1CCC[NH2+]C1 ZINC000238015950 303634264 /nfs/dbraw/zinc/63/42/64/303634264.db2.gz ZPMRKRHBLIBBCD-CQSZACIVSA-N 1 0 345.443 1.920 10 0 EDAERO CN1CCO[C@H](CNC(=O)NCCOc2cccc3ccccc32)C1 ZINC000104785444 441207888 /nfs/dbraw/zinc/20/78/88/441207888.db2.gz QVUOTOFXMUTUBY-MRXNPFEDSA-N 1 0 343.427 1.848 10 0 EDAERO CN1CCO[C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000104797761 441211018 /nfs/dbraw/zinc/21/10/18/441211018.db2.gz OTQFPYJXZQYEES-CVEARBPZSA-N 1 0 326.485 1.127 10 0 EDAERO Cc1nnc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C1CC1 ZINC000105870053 441300323 /nfs/dbraw/zinc/30/03/23/441300323.db2.gz QWNNABHHXPXXOQ-UHFFFAOYSA-N 1 0 329.452 1.363 10 0 EDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NC(=O)NCc2ccccc2)c1 ZINC000105881529 441305597 /nfs/dbraw/zinc/30/55/97/441305597.db2.gz RYHHNQSKUFZHGC-AWEZNQCLSA-N 1 0 329.404 1.196 10 0 EDAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)n1 ZINC000105884859 441306981 /nfs/dbraw/zinc/30/69/81/441306981.db2.gz QFBCAQXDHMOXTH-QGZVFWFLSA-N 1 0 333.480 1.865 10 0 EDAERO C[NH+](C)C[C@H]1CN(C[C@H](O)COc2cccc3ccccc32)CCO1 ZINC000105904652 441315386 /nfs/dbraw/zinc/31/53/86/441315386.db2.gz COZZELRHZIWBFH-ROUUACIJSA-N 1 0 344.455 1.842 10 0 EDAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1CC ZINC000105914923 441316510 /nfs/dbraw/zinc/31/65/10/441316510.db2.gz OWISPSJHFIKNIT-IRXDYDNUSA-N 1 0 325.497 1.820 10 0 EDAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106916797 441389965 /nfs/dbraw/zinc/38/99/65/441389965.db2.gz OHQLYQBSPFVWHW-QZTJIDSGSA-N 1 0 333.476 1.386 10 0 EDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000109130199 441489231 /nfs/dbraw/zinc/48/92/31/441489231.db2.gz BFQSKZOGVMHOKD-KBPBESRZSA-N 1 0 325.453 1.831 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)NCCCc1ccccc1 ZINC000112881656 441562756 /nfs/dbraw/zinc/56/27/56/441562756.db2.gz BEHWQHUSMOUGHT-QGZVFWFLSA-N 1 0 333.476 1.828 10 0 EDAERO C=C1c2ccccc2C(=O)N1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113223061 441589666 /nfs/dbraw/zinc/58/96/66/441589666.db2.gz YQQLDGVBVSDXFA-DZGCQCFKSA-N 1 0 325.412 1.808 10 0 EDAERO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CNC(=O)C2)CCOCC1)c1ccccc1 ZINC000113235943 441591476 /nfs/dbraw/zinc/59/14/76/441591476.db2.gz BQTMGSINGUWBIF-ZBFHGGJFSA-N 1 0 345.443 1.139 10 0 EDAERO Cc1cccc(C)c1OCCNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267013 441595348 /nfs/dbraw/zinc/59/53/48/441595348.db2.gz GNNWTYMRUBPJCI-ZWKOTPCHSA-N 1 0 345.487 1.967 10 0 EDAERO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107174 441599119 /nfs/dbraw/zinc/59/91/19/441599119.db2.gz GPRZXAAISPDQAG-CVEARBPZSA-N 1 0 334.416 1.254 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000113305832 441601495 /nfs/dbraw/zinc/60/14/95/441601495.db2.gz MIDAFWSVOBRPNA-DGCLKSJQSA-N 1 0 329.853 1.733 10 0 EDAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000113590899 441616280 /nfs/dbraw/zinc/61/62/80/441616280.db2.gz WMSBEYVXZXTFHO-HZPDHXFCSA-N 1 0 326.485 1.271 10 0 EDAERO Cc1cccn2c(=O)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnc12 ZINC000091038475 441652335 /nfs/dbraw/zinc/65/23/35/441652335.db2.gz NBTCLXNFHRXAMG-CQSZACIVSA-N 1 0 330.432 1.709 10 0 EDAERO CCc1nnc([C@@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCO2)[nH]1 ZINC000136645852 441711316 /nfs/dbraw/zinc/71/13/16/441711316.db2.gz OPWVWZAMWMZEBX-AWEZNQCLSA-N 1 0 348.451 1.077 10 0 EDAERO COc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1F ZINC000121838971 441792789 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CC(C)NC(=O)Nc1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116783948 441843522 /nfs/dbraw/zinc/84/35/22/441843522.db2.gz NZNZDLLIUHYMHO-MRXNPFEDSA-N 1 0 348.447 1.619 10 0 EDAERO Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cn2)n1 ZINC000116787711 441845029 /nfs/dbraw/zinc/84/50/29/441845029.db2.gz PZZIWGZBJZGIHW-MRXNPFEDSA-N 1 0 343.431 1.287 10 0 EDAERO CC(C)NC(=O)Nc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116794757 441847857 /nfs/dbraw/zinc/84/78/57/441847857.db2.gz KFFJLNTYQBNSOT-INIZCTEOSA-N 1 0 348.447 1.619 10 0 EDAERO Cc1cc(OCC(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000116798366 441849472 /nfs/dbraw/zinc/84/94/72/441849472.db2.gz RNVQFZVEZNTEAJ-CQSZACIVSA-N 1 0 326.824 1.816 10 0 EDAERO COc1ccc([C@H](C)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000174212727 441903300 /nfs/dbraw/zinc/90/33/00/441903300.db2.gz CDYJLRLCMTXVKZ-JKSUJKDBSA-N 1 0 332.444 1.979 10 0 EDAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000174049543 441883848 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CCCn1ncc(Br)c1C(=O)CN1CCC[NH2+]CC1 ZINC000164214934 528877853 /nfs/dbraw/zinc/87/78/53/528877853.db2.gz XGXQWHIKMWESNK-UHFFFAOYSA-N 1 0 329.242 1.534 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000175032269 529305527 /nfs/dbraw/zinc/30/55/27/529305527.db2.gz NLUTUUUHIPCKHK-LSDHHAIUSA-N 1 0 340.493 1.786 10 0 EDAERO CCC(=O)N(C)c1ccccc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263211845 535293677 /nfs/dbraw/zinc/29/36/77/535293677.db2.gz KKDYRTNKEAPMTK-CQSZACIVSA-N 1 0 329.404 1.686 10 0 EDAERO CCOCCCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415790 535489618 /nfs/dbraw/zinc/48/96/18/535489618.db2.gz SKGFNFJDHLUYMX-UHFFFAOYSA-N 1 0 334.464 1.609 10 0 EDAERO CCC[C@@](C)([NH3+])C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000262139876 535527137 /nfs/dbraw/zinc/52/71/37/535527137.db2.gz OXMQGDMLMBOAEZ-OAHLLOKOSA-N 1 0 343.449 1.071 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000247809591 535591054 /nfs/dbraw/zinc/59/10/54/535591054.db2.gz 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EDAERO COc1ccccc1CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262403651 139276562 /nfs/dbraw/zinc/27/65/62/139276562.db2.gz OKXXEDJYVQWXTH-UHFFFAOYSA-N 1 0 329.404 1.472 10 0 EDAERO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262843247 139307326 /nfs/dbraw/zinc/30/73/26/139307326.db2.gz RNBDAQNAQCVLMS-RCBQFDQVSA-N 1 0 335.423 1.694 10 0 EDAERO COc1ccc2c(c1)C[C@@H](c1nc([C@@H]3C[NH2+]CCN3C)no1)CO2 ZINC000263219443 139329063 /nfs/dbraw/zinc/32/90/63/139329063.db2.gz LPXVWPBBSGYPRG-OCCSQVGLSA-N 1 0 330.388 1.373 10 0 EDAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153510070 224114613 /nfs/dbraw/zinc/11/46/13/224114613.db2.gz VHGBKPYSSBLZKJ-OAHLLOKOSA-N 1 0 346.479 1.937 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(OCC(F)F)nc2)CCO1 ZINC000153614351 224130420 /nfs/dbraw/zinc/13/04/20/224130420.db2.gz PUYOZNMLIVPDDC-GFCCVEGCSA-N 1 0 329.347 1.128 10 0 EDAERO COc1ccncc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000129428576 533086503 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COC[C@@H]1C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000251623256 443015217 /nfs/dbraw/zinc/01/52/17/443015217.db2.gz GPHBLOIVOFDLQY-COXVUDFISA-N 1 0 343.851 1.953 10 0 EDAERO CCc1noc(C)c1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000190343656 443088933 /nfs/dbraw/zinc/08/89/33/443088933.db2.gz YEFBYHKMVBCHFF-QWHCGFSZSA-N 1 0 334.420 1.569 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000190080727 443054648 /nfs/dbraw/zinc/05/46/48/443054648.db2.gz GMPVDIXXYFQWIT-IUODEOHRSA-N 1 0 326.400 1.802 10 0 EDAERO COC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000190729781 443172102 /nfs/dbraw/zinc/17/21/02/443172102.db2.gz VIFXYLSBDPWVEW-AEFFLSMTSA-N 1 0 346.475 1.970 10 0 EDAERO CCOCc1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000185357229 443188226 /nfs/dbraw/zinc/18/82/26/443188226.db2.gz ILFINDYONLTBDD-HZPDHXFCSA-N 1 0 349.475 1.820 10 0 EDAERO COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000246188483 443277430 /nfs/dbraw/zinc/27/74/30/443277430.db2.gz IBISEKGGTKJDIN-NJAFHUGGSA-N 1 0 332.444 1.762 10 0 EDAERO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000299744975 444132446 /nfs/dbraw/zinc/13/24/46/444132446.db2.gz QKGDQSSDLMZEBY-CHWSQXEVSA-N 1 0 343.349 1.484 10 0 EDAERO Cc1ccc([C@@H](O)C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)cc1 ZINC000299739330 444128866 /nfs/dbraw/zinc/12/88/66/444128866.db2.gz NILIASVVHNYDBV-ZWKOTPCHSA-N 1 0 332.444 1.380 10 0 EDAERO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cccc4c[nH]nc43)CC(=O)N2C)cn1 ZINC000328626581 444400544 /nfs/dbraw/zinc/40/05/44/444400544.db2.gz LWXYQOIDDWVDOK-KBXCAEBGSA-N 1 0 338.415 1.606 10 0 EDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000392874885 447528002 /nfs/dbraw/zinc/52/80/02/447528002.db2.gz RZLAFSGLZKHXFL-BFHYXJOUSA-N 1 0 325.453 1.890 10 0 EDAERO C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000631968781 450926898 /nfs/dbraw/zinc/92/68/98/450926898.db2.gz XERQONROOOZONB-JGVFFNPUSA-N 1 0 339.280 1.726 10 0 EDAERO C[C@@H]1OCC[C@@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638169275 451333566 /nfs/dbraw/zinc/33/35/66/451333566.db2.gz KSTMLXZLTQEIHB-RDJZCZTQSA-N 1 0 331.460 1.664 10 0 EDAERO O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1COCCN1 ZINC000638851972 451711311 /nfs/dbraw/zinc/71/13/11/451711311.db2.gz RWAKVFWLJIZATA-MSOLQXFVSA-N 1 0 331.460 1.536 10 0 EDAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000637933643 452179428 /nfs/dbraw/zinc/17/94/28/452179428.db2.gz OTIXNXAMWZPQHT-BZSNNMDCSA-N 1 0 331.460 1.616 10 0 EDAERO O=C(C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)N1CCCOCC1 ZINC000644334862 453315154 /nfs/dbraw/zinc/31/51/54/453315154.db2.gz MPFOHAVSCVYLIO-IBGZPJMESA-N 1 0 332.444 1.653 10 0 EDAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)COc1cccc(Br)c1 ZINC000250073994 486650983 /nfs/dbraw/zinc/65/09/83/486650983.db2.gz JBOMCOAMMWNHHG-UXIGCNINSA-N 1 0 344.249 1.939 10 0 EDAERO Cc1cnc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)cn1 ZINC000583619648 486278560 /nfs/dbraw/zinc/27/85/60/486278560.db2.gz UAPCTZUVAWMCRE-XJKSGUPXSA-N 1 0 328.420 1.331 10 0 EDAERO CC(C)(C)n1cc(CN2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000178888845 486282273 /nfs/dbraw/zinc/28/22/73/486282273.db2.gz ONEQHFVHIFREQD-INIZCTEOSA-N 1 0 333.480 1.424 10 0 EDAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000174437728 534202972 /nfs/dbraw/zinc/20/29/72/534202972.db2.gz RBCNEPZJSSHMBR-WCQYABFASA-N 1 0 342.486 1.362 10 0 EDAERO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261804341 534568694 /nfs/dbraw/zinc/56/86/94/534568694.db2.gz HDBQNKDGIWPMIT-OLZOCXBDSA-N 1 0 341.521 1.910 10 0 EDAERO C[NH+](C)C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000028084891 521826566 /nfs/dbraw/zinc/82/65/66/521826566.db2.gz DAYSCCCVTWSRSI-QGZVFWFLSA-N 1 0 343.402 1.975 10 0 EDAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000163815722 534600216 /nfs/dbraw/zinc/60/02/16/534600216.db2.gz IUKJBUSERNJDOZ-MJGOQNOKSA-N 1 0 339.439 1.207 10 0 EDAERO [NH3+]CCOCCNc1ncc(Br)cc1Br ZINC000164079187 534636914 /nfs/dbraw/zinc/63/69/14/534636914.db2.gz TXCMNDJXSQKFNZ-UHFFFAOYSA-N 1 0 339.031 1.994 10 0 EDAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(Nc2cccnn2)CC1 ZINC000153669093 534650892 /nfs/dbraw/zinc/65/08/92/534650892.db2.gz XZAWJUZTDOYCEU-CQSZACIVSA-N 1 0 344.463 1.547 10 0 EDAERO O=C1N[C@]2(CC[NH2+]C2)C(=O)N1Cc1ccc(Br)cc1F ZINC000167858849 534802719 /nfs/dbraw/zinc/80/27/19/534802719.db2.gz QHGQWUGKLNZZHA-ZDUSSCGKSA-N 1 0 342.168 1.372 10 0 EDAERO CC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000249255330 534854075 /nfs/dbraw/zinc/85/40/75/534854075.db2.gz YJTCRUYAORAMBH-WBMJQRKESA-N 1 0 329.400 1.523 10 0 EDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3OCCO3)C[C@H]21 ZINC000248625122 534896023 /nfs/dbraw/zinc/89/60/23/534896023.db2.gz OXSFRMPDKRYVFI-BFHYXJOUSA-N 1 0 326.437 1.985 10 0 EDAERO COCCC[N@H+](C)CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000131734903 536504484 /nfs/dbraw/zinc/50/44/84/536504484.db2.gz ZTAGAZIUESOODO-WBVHZDCISA-N 1 0 327.469 1.291 10 0 EDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1ncc(I)cn1 ZINC000159171758 527850339 /nfs/dbraw/zinc/85/03/39/527850339.db2.gz FDLNOIQGQFETQZ-PSASIEDQSA-N 1 0 344.200 1.515 10 0 EDAERO CCOC(=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171904161 528215113 /nfs/dbraw/zinc/21/51/13/528215113.db2.gz FDJJGCSSWPZEKW-MRXNPFEDSA-N 1 0 331.416 1.853 10 0 EDAERO CCCn1cc(S(=O)(=O)N2CCS[C@@H](CC)C2)cc1C[NH3+] ZINC000158415964 528849304 /nfs/dbraw/zinc/84/93/04/528849304.db2.gz HBPXYSRMNVUGOL-ZDUSSCGKSA-N 1 0 331.507 1.873 10 0 EDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cccc3c2OCCO3)[C@@H](C)C1 ZINC000174005205 529104821 /nfs/dbraw/zinc/10/48/21/529104821.db2.gz YWTZKUVXXMWVEU-STQMWFEESA-N 1 0 340.445 1.465 10 0 EDAERO CC[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174616844 529281793 /nfs/dbraw/zinc/28/17/93/529281793.db2.gz VERFKXYVQKHYBG-ZBFHGGJFSA-N 1 0 343.431 1.185 10 0 EDAERO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000247471072 534980283 /nfs/dbraw/zinc/98/02/83/534980283.db2.gz JFZBCMGDPJTUER-HZPDHXFCSA-N 1 0 345.443 1.905 10 0 EDAERO CC(C)Oc1cccc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)n1 ZINC000262451551 535031735 /nfs/dbraw/zinc/03/17/35/535031735.db2.gz ZTFUUTUUXORLLY-UHFFFAOYSA-N 1 0 344.419 1.717 10 0 EDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Cc3ccoc3)CC2)C1 ZINC000124272830 535213189 /nfs/dbraw/zinc/21/31/89/535213189.db2.gz DBRYJMRKKAZNIF-KRWDZBQOSA-N 1 0 335.448 1.076 10 0 EDAERO CCCC(=O)N1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000261893450 535327342 /nfs/dbraw/zinc/32/73/42/535327342.db2.gz ANBHZGCJOJXSNC-ZWKOTPCHSA-N 1 0 343.471 1.978 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000245425414 535545879 /nfs/dbraw/zinc/54/58/79/535545879.db2.gz DUOSXXZXVJJFOI-CHWSQXEVSA-N 1 0 338.477 1.790 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000248415303 535587981 /nfs/dbraw/zinc/58/79/81/535587981.db2.gz NYXZXWFBVFNHLG-GJZGRUSLSA-N 1 0 348.495 1.842 10 0 EDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000077774013 535645696 /nfs/dbraw/zinc/64/56/96/535645696.db2.gz JIYBFRRQTGJCRU-AWEZNQCLSA-N 1 0 334.464 1.618 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 ZINC000246251815 535813483 /nfs/dbraw/zinc/81/34/83/535813483.db2.gz WWHADWCTZLEFDQ-HZPDHXFCSA-N 1 0 333.480 1.606 10 0 EDAERO CC[C@@H]1CN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000247194356 535844368 /nfs/dbraw/zinc/84/43/68/535844368.db2.gz OMIXBYLEONAOKL-YESZJQIVSA-N 1 0 325.497 1.819 10 0 EDAERO CC[C@@H]1CN(CC(=O)N2c3ccccc3C[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000247206748 535846001 /nfs/dbraw/zinc/84/60/01/535846001.db2.gz PKDUTIVDJIUJOR-SOLBZPMBSA-N 1 0 345.487 1.741 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000253548005 535876753 /nfs/dbraw/zinc/87/67/53/535876753.db2.gz ASRDJXLLSZVBHP-BBWFWOEESA-N 1 0 333.476 1.720 10 0 EDAERO CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000249254016 535887159 /nfs/dbraw/zinc/88/71/59/535887159.db2.gz YEFBYHKMVBCHFF-OLZOCXBDSA-N 1 0 334.420 1.569 10 0 EDAERO C[NH+](C)C[C@@H](NC(=O)NCCCN1CCOCC1)c1ccccc1 ZINC000125059317 535941499 /nfs/dbraw/zinc/94/14/99/535941499.db2.gz FAQVKJCCPISYGJ-QGZVFWFLSA-N 1 0 334.464 1.311 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)NCCOc2ncccc2Cl)CCO1 ZINC000119652090 535968233 /nfs/dbraw/zinc/96/82/33/535968233.db2.gz BIOSHZFUYHQVOA-LBPRGKRZSA-N 1 0 342.827 1.086 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-n2ccnn2)c1 ZINC000245944796 536168705 /nfs/dbraw/zinc/16/87/05/536168705.db2.gz UNPMPIJGIMLVBB-RDJZCZTQSA-N 1 0 325.416 1.966 10 0 EDAERO COC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccc(F)cc1 ZINC000262017474 536712111 /nfs/dbraw/zinc/71/21/11/536712111.db2.gz WDPNKIKKNAHGTK-IXDOHACOSA-N 1 0 346.406 1.366 10 0 EDAERO COC(=O)c1ccc(F)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261822158 536724139 /nfs/dbraw/zinc/72/41/39/536724139.db2.gz YAFOKNWJZDLJPE-CYBMUJFWSA-N 1 0 344.408 1.360 10 0 EDAERO COc1cccc(-c2cc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)n[nH]2)c1 ZINC000263319453 537061770 /nfs/dbraw/zinc/06/17/70/537061770.db2.gz ZZPPXVQYINNFFY-HNNXBMFYSA-N 1 0 340.387 1.711 10 0 EDAERO CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000888094181 591023589 /nfs/dbraw/zinc/02/35/89/591023589.db2.gz CSZCQPNJWGVERV-XOKHGSTOSA-N 1 0 333.436 1.565 10 0 EDAERO COc1cccc(F)c1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888094502 591024236 /nfs/dbraw/zinc/02/42/36/591024236.db2.gz WMGSAWIPYZXGAX-OLZOCXBDSA-N 1 0 333.367 1.053 10 0 EDAERO CN(C)c1nccc([C@H]2CN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CCO2)n1 ZINC000897472295 591475946 /nfs/dbraw/zinc/47/59/46/591475946.db2.gz VKVKQVZYIUJUON-HUUCEWRRSA-N 1 0 347.463 1.315 10 0 EDAERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC000812327181 593497033 /nfs/dbraw/zinc/49/70/33/593497033.db2.gz FKWOLTHJARAZKM-KFWWJZLASA-N 1 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329.335 1.706 10 0 EDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1cccc2ncccc21 ZINC000112548823 220346407 /nfs/dbraw/zinc/34/64/07/220346407.db2.gz DRTFOQCTEWZVGT-KBPBESRZSA-N 1 0 328.416 1.482 10 0 EDAERO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000112740425 220391161 /nfs/dbraw/zinc/39/11/61/220391161.db2.gz PMEKTFLAUUZQOO-HUUCEWRRSA-N 1 0 346.410 1.334 10 0 EDAERO C[N@H+](CCCNC(=O)N[C@@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000112743136 220394105 /nfs/dbraw/zinc/39/41/05/220394105.db2.gz AZACQAKWMDIJLS-CQSZACIVSA-N 1 0 334.468 1.547 10 0 EDAERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cnn1Cc1ccccc1 ZINC000116795658 220993317 /nfs/dbraw/zinc/99/33/17/220993317.db2.gz DVLRSQIXEGHVFI-KRWDZBQOSA-N 1 0 342.443 1.642 10 0 EDAERO CC[C@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)CC[N@@H+]1CCOC ZINC000117399189 221060470 /nfs/dbraw/zinc/06/04/70/221060470.db2.gz WQYSDKRMJDYADU-HNNXBMFYSA-N 1 0 334.420 1.360 10 0 EDAERO CC[C@H]1CN(C(=O)Nc2ccc(C(=O)NC)cc2)CC[N@@H+]1CCOC ZINC000117438726 221064197 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RHHVAQPRXFWRHU-OCCSQVGLSA-N 1 0 346.456 1.989 10 0 EDAERO COc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000237295694 286208688 /nfs/dbraw/zinc/20/86/88/286208688.db2.gz UHKXFYTUCNTSPT-NEPJUHHUSA-N 1 0 328.434 1.418 10 0 EDAERO O=C(NCCOc1cccc(F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049190727 287218362 /nfs/dbraw/zinc/21/83/62/287218362.db2.gz RCNQMZYHRKNQNH-OAHLLOKOSA-N 1 0 339.411 1.351 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCOC1CCOCC1 ZINC000073722545 287264274 /nfs/dbraw/zinc/26/42/74/287264274.db2.gz IHWDTDLOOPBGSM-OAHLLOKOSA-N 1 0 329.485 1.848 10 0 EDAERO C[NH+](C)C[C@@H](NC(=O)CCCCN1CCOCC1)c1ccccc1 ZINC000171949613 227379847 /nfs/dbraw/zinc/37/98/47/227379847.db2.gz NXQYLGJOUYUVDL-GOSISDBHSA-N 1 0 333.476 1.908 10 0 EDAERO C[NH+](C)C[C@H]1CN(C[C@H](O)COc2cccc3[nH]ccc32)CCO1 ZINC000158968615 225118427 /nfs/dbraw/zinc/11/84/27/225118427.db2.gz FCAAAAWXAPQEOP-GJZGRUSLSA-N 1 0 333.432 1.170 10 0 EDAERO COCC[N@H+](CCC(N)=S)Cc1ccc(Br)cn1 ZINC000166941309 226175384 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ZINC000247212360 139140739 /nfs/dbraw/zinc/14/07/39/139140739.db2.gz PTJLTBRFBQKCKB-CVEARBPZSA-N 1 0 334.395 1.632 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN(CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1C ZINC000247243103 139142123 /nfs/dbraw/zinc/14/21/23/139142123.db2.gz SMXCPUZWLZKWFT-CABCVRRESA-N 1 0 348.447 1.112 10 0 EDAERO CC[C@H]1CN(CC(=O)Nc2ccccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000247254201 139142625 /nfs/dbraw/zinc/14/26/25/139142625.db2.gz UGIPHATZIGCNJH-GJZGRUSLSA-N 1 0 335.448 1.411 10 0 EDAERO CCCCO[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1(C)C ZINC000247322484 139144836 /nfs/dbraw/zinc/14/48/36/139144836.db2.gz LKBAPPKLXMUXJP-ARFHVFGLSA-N 1 0 341.496 1.942 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000247399242 139147510 /nfs/dbraw/zinc/14/75/10/139147510.db2.gz PHPBNWBZMDDPJD-HOCLYGCPSA-N 1 0 325.416 1.635 10 0 EDAERO COc1cccc(CN(C)C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247529071 139151399 /nfs/dbraw/zinc/15/13/99/139151399.db2.gz XIQBPVZOUZYDTC-RDJZCZTQSA-N 1 0 331.460 1.822 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000247526641 139151552 /nfs/dbraw/zinc/15/15/52/139151552.db2.gz XEFAEDFYNIDNCP-FRFSOERESA-N 1 0 338.473 1.292 10 0 EDAERO O=C(c1cn(CC[NH2+]Cc2cccc(F)c2)nn1)N1CCSCC1 ZINC000012078904 211288464 /nfs/dbraw/zinc/28/84/64/211288464.db2.gz CSHGFPWDAZCIDJ-UHFFFAOYSA-N 1 0 349.435 1.396 10 0 EDAERO CC[C@@H]1CN(C(=O)N[C@@H](COC)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000248445588 139164106 /nfs/dbraw/zinc/16/41/06/139164106.db2.gz FDAGGBPQFXDVKV-JQHSSLGASA-N 1 0 349.475 1.861 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccc(OC)c1 ZINC000248444368 139164170 /nfs/dbraw/zinc/16/41/70/139164170.db2.gz WDBFDFQOJQPJKO-HOTGVXAUSA-N 1 0 345.443 1.510 10 0 EDAERO CC[C@@H]1CN(C(=O)NCCCOc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000248456708 139164889 /nfs/dbraw/zinc/16/48/89/139164889.db2.gz NYCYRCMXFPXYJX-DLBZAZTESA-N 1 0 349.475 1.942 10 0 EDAERO COCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248805519 139176117 /nfs/dbraw/zinc/17/61/17/139176117.db2.gz GUKJGYZCVLSKSC-RHSMWYFYSA-N 1 0 347.459 1.659 10 0 EDAERO C[C@H]1CN(C[C@@H](O)COCc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000249308295 139190956 /nfs/dbraw/zinc/19/09/56/139190956.db2.gz DHNJBMIFGCXVRU-FUHWJXTLSA-N 1 0 336.476 1.341 10 0 EDAERO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249548940 139195376 /nfs/dbraw/zinc/19/53/76/139195376.db2.gz HDYBBWBPOOWOQJ-QEJZJMRPSA-N 1 0 326.462 1.297 10 0 EDAERO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000249968041 139200175 /nfs/dbraw/zinc/20/01/75/139200175.db2.gz KGGIJPALMREMRZ-KYJSFNMBSA-N 1 0 331.460 1.484 10 0 EDAERO COC(=O)c1sccc1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261625664 139212346 /nfs/dbraw/zinc/21/23/46/139212346.db2.gz HDZZKXBXHUYOIJ-JTQLQIEISA-N 1 0 332.447 1.283 10 0 EDAERO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000261726850 139220932 /nfs/dbraw/zinc/22/09/32/139220932.db2.gz KOZPBOANAAWBQX-VHRBIJSZSA-N 1 0 342.436 1.924 10 0 EDAERO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261824783 139229314 /nfs/dbraw/zinc/22/93/14/139229314.db2.gz NVVWNQUCLCTTJA-KYJSFNMBSA-N 1 0 331.460 1.566 10 0 EDAERO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261879528 139233568 /nfs/dbraw/zinc/23/35/68/139233568.db2.gz TYYYXKYLJSZNOL-JHJVBQTASA-N 1 0 343.431 1.267 10 0 EDAERO [NH3+]CC1(C(=O)NCCc2ccc(-n3cccn3)cc2)CCOCC1 ZINC000261928087 139237888 /nfs/dbraw/zinc/23/78/88/139237888.db2.gz LHKKHISRIPCYIW-UHFFFAOYSA-N 1 0 328.416 1.287 10 0 EDAERO COc1ccc([C@@H](C)N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261917149 139236685 /nfs/dbraw/zinc/23/66/85/139236685.db2.gz JSPZUPWZDUZOHT-XWIAVFTESA-N 1 0 342.443 1.951 10 0 EDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2nnc(C(C)(C)C)s2)cn1 ZINC000261923355 139237283 /nfs/dbraw/zinc/23/72/83/139237283.db2.gz KPSNOMFSKARIAV-MNOVXSKESA-N 1 0 334.449 1.511 10 0 EDAERO O=C(NCC1C[NH2+]C1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000261959133 139240111 /nfs/dbraw/zinc/24/01/11/139240111.db2.gz RNMBATLLMUGZCN-UHFFFAOYSA-N 1 0 336.438 1.530 10 0 EDAERO COc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000262003081 139243031 /nfs/dbraw/zinc/24/30/31/139243031.db2.gz UUKYNPWXNYPHLX-JLZZUVOBSA-N 1 0 328.416 1.609 10 0 EDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc(OC(F)F)c2)cn1 ZINC000262005652 139243334 /nfs/dbraw/zinc/24/33/34/139243334.db2.gz UZUFITMGIAHKEM-KGLIPLIRSA-N 1 0 336.342 1.963 10 0 EDAERO CCc1ccc(C(=O)N2CCC(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)o1 ZINC000262015231 139243995 /nfs/dbraw/zinc/24/39/95/139243995.db2.gz RDIMCTACDSDMIT-UONOGXRCSA-N 1 0 347.459 1.890 10 0 EDAERO CC1(C)CN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC[C@H]1[NH3+] ZINC000262136889 139254154 /nfs/dbraw/zinc/25/41/54/139254154.db2.gz WWVMTZYWXFMAAV-MRXNPFEDSA-N 1 0 340.427 1.496 10 0 EDAERO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2ccc3c(c2)OCO3)cn1 ZINC000096070048 218568611 /nfs/dbraw/zinc/56/86/11/218568611.db2.gz QDUQMUIWXUDGRI-SJORKVTESA-N 1 0 342.443 1.896 10 0 EDAERO Cc1csc(-c2cccc(S(=O)(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)n1 ZINC000262307955 139268742 /nfs/dbraw/zinc/26/87/42/139268742.db2.gz OPYUWISBMFPXGW-OKILXGFUSA-N 1 0 349.481 1.958 10 0 EDAERO C[C@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)C1C[NH2+]C1 ZINC000262347905 139272084 /nfs/dbraw/zinc/27/20/84/139272084.db2.gz GCANUKPEEXZKPJ-LBPRGKRZSA-N 1 0 329.375 1.830 10 0 EDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000262385105 139275108 /nfs/dbraw/zinc/27/51/08/139275108.db2.gz XJGSETDSLVMPAC-UKKREREHSA-N 1 0 329.227 1.793 10 0 EDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000262427627 139278374 /nfs/dbraw/zinc/27/83/74/139278374.db2.gz WBBFKQMDISAWSS-AWEZNQCLSA-N 1 0 327.388 1.224 10 0 EDAERO O=C(NCC[S@](=O)Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262510016 139283364 /nfs/dbraw/zinc/28/33/64/139283364.db2.gz CVGFLWCPEMKGIE-QGWOYLBSSA-N 1 0 334.485 1.972 10 0 EDAERO C[C@H](C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000262533461 139284722 /nfs/dbraw/zinc/28/47/22/139284722.db2.gz MIBNSZLUVVPVPK-VFZGTOFNSA-N 1 0 343.349 1.378 10 0 EDAERO C[C@H](C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000262555951 139286308 /nfs/dbraw/zinc/28/63/08/139286308.db2.gz POIGIIVJTFDTCB-XHDPSFHLSA-N 1 0 334.395 1.404 10 0 EDAERO C[C@H](NC(=O)C[NH2+]CC1CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000262650962 139293142 /nfs/dbraw/zinc/29/31/42/139293142.db2.gz WYGATYBGVPLCCI-JTQLQIEISA-N 1 0 328.409 1.406 10 0 EDAERO C[C@@H]([NH3+])Cc1ccc(N2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000164484765 532966191 /nfs/dbraw/zinc/96/61/91/532966191.db2.gz YKWCHGRRCNDOMJ-LLVKDONJSA-N 1 0 331.869 1.311 10 0 EDAERO COc1ccc(C(C)=O)cc1Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263133345 139324122 /nfs/dbraw/zinc/32/41/22/139324122.db2.gz BVFNRDOOXFGHPP-CQSZACIVSA-N 1 0 330.388 1.448 10 0 EDAERO CC[C@H](C)C(=O)N1CSC[C@@H]1c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263169297 139326286 /nfs/dbraw/zinc/32/62/86/139326286.db2.gz FOHSVEPUPIACRN-SDDRHHMPSA-N 1 0 339.465 1.266 10 0 EDAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000263193564 139327585 /nfs/dbraw/zinc/32/75/85/139327585.db2.gz IEBIMQQELQZAMA-STQMWFEESA-N 1 0 335.452 1.745 10 0 EDAERO COc1ccc2c(c1)C[C@H](c1nc([C@H]3C[NH2+]CCN3C)no1)CO2 ZINC000263219441 139329053 /nfs/dbraw/zinc/32/90/53/139329053.db2.gz LPXVWPBBSGYPRG-GXTWGEPZSA-N 1 0 330.388 1.373 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2csc(-c3ccccn3)n2)n1 ZINC000263231632 139329807 /nfs/dbraw/zinc/32/98/07/139329807.db2.gz NNSMMCCAGVPRHL-CYBMUJFWSA-N 1 0 342.428 1.755 10 0 EDAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000263283202 139333062 /nfs/dbraw/zinc/33/30/62/139333062.db2.gz UPBHGAZLKFRONF-SMDDNHRTSA-N 1 0 345.378 1.305 10 0 EDAERO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000174002913 533068930 /nfs/dbraw/zinc/06/89/30/533068930.db2.gz HPBSKARSHNVHFG-JSGCOSHPSA-N 1 0 342.461 1.711 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccccc2OC(F)F)CCO1 ZINC000117029076 221024380 /nfs/dbraw/zinc/02/43/80/221024380.db2.gz SWJJLNFZVKTSOZ-ZDUSSCGKSA-N 1 0 343.374 1.760 10 0 EDAERO CC[C@@H]1CN(C(=O)NCCCc2c[nH]nc2C)CC[N@@H+]1CCOC ZINC000117467764 221067184 /nfs/dbraw/zinc/06/71/84/221067184.db2.gz QAGUJKMIPLROCB-MRXNPFEDSA-N 1 0 337.468 1.403 10 0 EDAERO COCCN1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000117477883 221067901 /nfs/dbraw/zinc/06/79/01/221067901.db2.gz DZWZLYVFXSHJND-HZPDHXFCSA-N 1 0 326.485 1.080 10 0 EDAERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000118857943 221197495 /nfs/dbraw/zinc/19/74/95/221197495.db2.gz RDYHNXKLBDNWAS-JZXOWHBKSA-N 1 0 333.476 1.641 10 0 EDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000118858217 221198189 /nfs/dbraw/zinc/19/81/89/221198189.db2.gz NBEQWFKYBDXHBU-HNNXBMFYSA-N 1 0 325.840 1.667 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2S(C)(=O)=O)C1 ZINC000119148634 221253456 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535589404 /nfs/dbraw/zinc/58/94/04/535589404.db2.gz NSTUVHXBBGEASR-KGLIPLIRSA-N 1 0 330.436 1.916 10 0 EDAERO CCOc1ncccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000249244981 535598697 /nfs/dbraw/zinc/59/86/97/535598697.db2.gz XDWGQAVQSBKJCB-CHWSQXEVSA-N 1 0 332.404 1.114 10 0 EDAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cc(C)no2)C[C@@H]1CC ZINC000247217834 535607868 /nfs/dbraw/zinc/60/78/68/535607868.db2.gz QGWIUACCEXDVPR-CABCVRRESA-N 1 0 338.452 1.743 10 0 EDAERO CCN(C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)C1CCCCC1 ZINC000247101932 535663996 /nfs/dbraw/zinc/66/39/96/535663996.db2.gz IGFWJBXPASYXFY-JKSUJKDBSA-N 1 0 325.497 1.555 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000118857975 535813345 /nfs/dbraw/zinc/81/33/45/535813345.db2.gz ODKFOSXEEJJHCW-HUUCEWRRSA-N 1 0 337.468 1.180 10 0 EDAERO CC[C@@H]1CN(Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1C[C@H](C)O ZINC000245719481 535862531 /nfs/dbraw/zinc/86/25/31/535862531.db2.gz HRHHAHRAQZWOSV-FUHWJXTLSA-N 1 0 332.492 1.959 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000247042936 535876452 /nfs/dbraw/zinc/87/64/52/535876452.db2.gz VLMCDBFULMSVPW-ZBFHGGJFSA-N 1 0 326.404 1.361 10 0 EDAERO C[NH+](C)C[C@H]1CN([C@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 ZINC000246260458 535969319 /nfs/dbraw/zinc/96/93/19/535969319.db2.gz QRMFVQPPCOLVMT-WFASDCNBSA-N 1 0 339.386 1.333 10 0 EDAERO CCn1c(=O)[nH]c2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)ccc2c1=O ZINC000262017168 535990899 /nfs/dbraw/zinc/99/08/99/535990899.db2.gz OOEZHXLMBOISCB-AWEZNQCLSA-N 1 0 344.415 1.321 10 0 EDAERO Cc1cnn([C@H]2[C@H](O)C[C@@H]2[NH2+]Cc2ccc(-n3cncn3)c(C)c2)c1 ZINC000888077142 590931804 /nfs/dbraw/zinc/93/18/04/590931804.db2.gz NAHFGLPSPGYNOX-CGTJXYLNSA-N 1 0 338.415 1.545 10 0 EDAERO COc1ccc(-c2noc([C@]3(N)CC[N@H+](C)C3)n2)c(Cl)c1OC ZINC000888078148 590934748 /nfs/dbraw/zinc/93/47/48/590934748.db2.gz PLZDZJSKJWOYBQ-HNNXBMFYSA-N 1 0 338.795 1.897 10 0 EDAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1cccnc1)C2 ZINC000888094595 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C[NH+](C)Cc1ccc(N2CCN(C(=O)Nc3nncs3)CC2)nc1 ZINC000172017547 442399828 /nfs/dbraw/zinc/39/98/28/442399828.db2.gz RTCDMWTXNVJFNH-UHFFFAOYSA-N 1 0 347.448 1.349 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)NCCOc2ccc(Cl)cc2)CCO1 ZINC000172116749 442410560 /nfs/dbraw/zinc/41/05/60/442410560.db2.gz XKUUFVVLRRWADR-HNNXBMFYSA-N 1 0 341.839 1.691 10 0 EDAERO CN1C(=O)CC[C@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000172126731 442411860 /nfs/dbraw/zinc/41/18/60/442411860.db2.gz COVCDQNIGFBIOP-WMZOPIPTSA-N 1 0 329.444 1.808 10 0 EDAERO CC(C)[C@H](O)CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000155697594 442419898 /nfs/dbraw/zinc/41/98/98/442419898.db2.gz BHYJTBUAIKUHGY-LJQANCHMSA-N 1 0 347.503 1.718 10 0 EDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc1 ZINC000172223178 442426123 /nfs/dbraw/zinc/42/61/23/442426123.db2.gz IXWBABBERJRUCS-INIZCTEOSA-N 1 0 332.448 1.361 10 0 EDAERO CC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CC[N@@H+]1CCOC ZINC000172230982 442426586 /nfs/dbraw/zinc/42/65/86/442426586.db2.gz CMJZGZVCPGRBFZ-OAHLLOKOSA-N 1 0 343.427 1.711 10 0 EDAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186251267 442496162 /nfs/dbraw/zinc/49/61/62/442496162.db2.gz VPVWONXQPVMBQH-GOSISDBHSA-N 1 0 330.432 1.568 10 0 EDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC000157303683 442570697 /nfs/dbraw/zinc/57/06/97/442570697.db2.gz XYRWGBOKDOTKRQ-HNNXBMFYSA-N 1 0 326.485 1.221 10 0 EDAERO O=C1NCCCN1C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000135433563 442595637 /nfs/dbraw/zinc/59/56/37/442595637.db2.gz HCYGLSXTTHCIHF-SFHVURJKSA-N 1 0 347.459 1.444 10 0 EDAERO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000186572598 442563428 /nfs/dbraw/zinc/56/34/28/442563428.db2.gz MILOMLNJCUDRBQ-ZDUSSCGKSA-N 1 0 330.432 1.381 10 0 EDAERO CC[C@@H]1CN(C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173272401 442638412 /nfs/dbraw/zinc/63/84/12/442638412.db2.gz YJVDNVUGLYVFNX-RHSMWYFYSA-N 1 0 337.439 1.855 10 0 EDAERO COc1cc(F)cc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000180551768 442621477 /nfs/dbraw/zinc/62/14/77/442621477.db2.gz UFMILFWJJKMCOB-HNNXBMFYSA-N 1 0 325.384 1.306 10 0 EDAERO C[C@@H](O)C[N@@H+]1CCN(CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000157942180 442630180 /nfs/dbraw/zinc/63/01/80/442630180.db2.gz FJOHPUZIIOCTRT-HUUCEWRRSA-N 1 0 330.432 1.666 10 0 EDAERO C[N@H+](CCCNC(=O)C(F)(F)F)[C@H]1CCCN(c2cccnn2)C1 ZINC000180612430 442634288 /nfs/dbraw/zinc/63/42/88/442634288.db2.gz FNWNYWODMRCTDC-LBPRGKRZSA-N 1 0 345.369 1.446 10 0 EDAERO CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000187520296 442680105 /nfs/dbraw/zinc/68/01/05/442680105.db2.gz ANLBUNYZJZAYCT-DAYGRLMNSA-N 1 0 343.512 1.828 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1 ZINC000187793886 442692471 /nfs/dbraw/zinc/69/24/71/442692471.db2.gz ZANIJSOOWHDEJF-BFHYXJOUSA-N 1 0 343.443 1.934 10 0 EDAERO COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246588244 442794843 /nfs/dbraw/zinc/79/48/43/442794843.db2.gz YPXSATOFHVYWFM-XHDPSFHLSA-N 1 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CC(=O)Nc1cccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000248582995 442902454 /nfs/dbraw/zinc/90/24/54/442902454.db2.gz FQGWSBTWTMPEPG-KGLIPLIRSA-N 1 0 348.447 1.242 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc2nsnc21 ZINC000248666764 442914797 /nfs/dbraw/zinc/91/47/97/442914797.db2.gz OOURQOAYTSKNGP-MNOVXSKESA-N 1 0 338.458 1.549 10 0 EDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000194655602 442933439 /nfs/dbraw/zinc/93/34/39/442933439.db2.gz IKHFJJFZKZCUFI-CQSZACIVSA-N 1 0 326.400 1.447 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@](C)(C(=O)OC)c2ccccc2)C1 ZINC000189733347 442999978 /nfs/dbraw/zinc/99/99/78/442999978.db2.gz QALAQIZIEFPCDY-LPHOPBHVSA-N 1 0 347.459 1.901 10 0 EDAERO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)[C@@H](C(N)=O)C1 ZINC000249602520 442994353 /nfs/dbraw/zinc/99/43/53/442994353.db2.gz YTMHEVXOKUQBQX-DAXOMENPSA-N 1 0 340.851 1.803 10 0 EDAERO CCCCOC[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000195203932 442996250 /nfs/dbraw/zinc/99/62/50/442996250.db2.gz KHIBZEJTAPSBEE-INIZCTEOSA-N 1 0 346.475 1.858 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc2nsnc21 ZINC000194790599 442953546 /nfs/dbraw/zinc/95/35/46/442953546.db2.gz CTBKYQVDTKHJHL-LLVKDONJSA-N 1 0 340.474 1.796 10 0 EDAERO CCO[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCCCC2)C12CCOCC2 ZINC000184705926 443063030 /nfs/dbraw/zinc/06/30/30/443063030.db2.gz DDDMLIUNPLBJOE-CVEARBPZSA-N 1 0 339.480 1.746 10 0 EDAERO COC[C@H](O)C[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190500915 443120832 /nfs/dbraw/zinc/12/08/32/443120832.db2.gz CRVWPWCRLIEINJ-LSDHHAIUSA-N 1 0 330.469 1.122 10 0 EDAERO CO[C@@H](C)[C@H](C)NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000190709102 443168237 /nfs/dbraw/zinc/16/82/37/443168237.db2.gz PNHYYHCPGAPWHO-GJZGRUSLSA-N 1 0 337.468 1.412 10 0 EDAERO CCOCc1ccccc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185357683 443188318 /nfs/dbraw/zinc/18/83/18/443188318.db2.gz DBWFMEUIGMQYDW-HZPDHXFCSA-N 1 0 349.475 1.820 10 0 EDAERO COC(=O)CCCCCS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000190817380 443188326 /nfs/dbraw/zinc/18/83/26/443188326.db2.gz VLDOJDQMDGXTJR-KGLIPLIRSA-N 1 0 334.482 1.368 10 0 EDAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000185393399 443193801 /nfs/dbraw/zinc/19/38/01/443193801.db2.gz TYKWXISPEVEDGB-FGTMMUONSA-N 1 0 337.508 1.532 10 0 EDAERO CC[C@H]1CN(C(=O)CCc2nnc(C(C)C)o2)CC[N@@H+]1C[C@H](C)O ZINC000245433027 443227600 /nfs/dbraw/zinc/22/76/00/443227600.db2.gz PLBYGKYENZACJD-KBPBESRZSA-N 1 0 338.452 1.429 10 0 EDAERO Cn1cc([C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)c2ccc(F)cc2)cn1 ZINC000185436826 443200015 /nfs/dbraw/zinc/20/00/15/443200015.db2.gz LPKZAQGSSKZMRC-WMZOPIPTSA-N 1 0 346.406 1.222 10 0 EDAERO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(Cl)n1 ZINC000185477828 443206012 /nfs/dbraw/zinc/20/60/12/443206012.db2.gz KMIVINBGBWAUBH-NWDGAFQWSA-N 1 0 329.853 1.901 10 0 EDAERO [NH3+]CC[C@H](Nc1ncc(I)cn1)C(F)F ZINC000383504201 319125815 /nfs/dbraw/zinc/12/58/15/319125815.db2.gz RGPYCJXCQVVRGD-LURJTMIESA-N 1 0 328.104 1.476 10 0 EDAERO CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NC2CC[NH+](C)CC2)n1C ZINC000328631654 444403724 /nfs/dbraw/zinc/40/37/24/444403724.db2.gz RFCNJFXMTZTRJW-QGZVFWFLSA-N 1 0 346.475 1.923 10 0 EDAERO NC(=O)c1cnn2c1CC[C@H](C[NH2+]Cc1cccc3c1OCO3)C2 ZINC000328650259 444413790 /nfs/dbraw/zinc/41/37/90/444413790.db2.gz VMGCOYRMNVNTED-LLVKDONJSA-N 1 0 328.372 1.847 10 0 EDAERO CC(C)S(=O)(=O)CCN(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328602108 444390154 /nfs/dbraw/zinc/39/01/54/444390154.db2.gz AFIHZNQCHXMDFD-MRXNPFEDSA-N 1 0 325.478 1.316 10 0 EDAERO CCc1ncnc(N2CC[C@H](NC(=[NH2+])C[C@H]3N=NC(C)=N3)C2)c1F ZINC000328608194 444391854 /nfs/dbraw/zinc/39/18/54/444391854.db2.gz YMGMFNKBSXSZBZ-GXFFZTMASA-N 1 0 332.387 1.924 10 0 EDAERO CC(C)n1cc([C@@]2(O)CCCN(Cc3ncnn3C(C)(C)C)C2)nn1 ZINC000583614645 448440992 /nfs/dbraw/zinc/44/09/92/448440992.db2.gz HCMWTTDQUZYDEE-QGZVFWFLSA-N 1 0 347.467 1.689 10 0 EDAERO Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)CCCN1C ZINC000583616556 448443786 /nfs/dbraw/zinc/44/37/86/448443786.db2.gz JJZGQOOXCZVONK-WMLDXEAASA-N 1 0 345.495 1.939 10 0 EDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccc(CCO)c1 ZINC000616635657 450456042 /nfs/dbraw/zinc/45/60/42/450456042.db2.gz JGQOGIWRNLESRB-KRWDZBQOSA-N 1 0 349.475 1.692 10 0 EDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000623764812 450579733 /nfs/dbraw/zinc/57/97/33/450579733.db2.gz KIHMWQPQJTZWKR-QWRGUYRKSA-N 1 0 330.178 1.417 10 0 EDAERO O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000633884369 451070286 /nfs/dbraw/zinc/07/02/86/451070286.db2.gz CSJPDTZYEPYZPV-SJORKVTESA-N 1 0 329.444 1.684 10 0 EDAERO C[C@H]1CN(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)C[C@H]1[NH+](C)C ZINC000637513206 451918945 /nfs/dbraw/zinc/91/89/45/451918945.db2.gz CBJBQVNOIIGXDH-WMHQRMGPSA-N 1 0 335.452 1.469 10 0 EDAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(Br)cc1 ZINC000643663646 452434908 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CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000158850775 526856109 /nfs/dbraw/zinc/85/61/09/526856109.db2.gz YTHYFLSBVOYSTM-CABCVRRESA-N 1 0 331.416 1.508 10 0 EDAERO CCC[C@H](C(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1)[NH+](C)C ZINC000152931022 527972297 /nfs/dbraw/zinc/97/22/97/527972297.db2.gz MIEBRGBJXAKZDT-NWDGAFQWSA-N 1 0 325.482 1.540 10 0 EDAERO CCC[C@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000158791006 528166249 /nfs/dbraw/zinc/16/62/49/528166249.db2.gz BSCCKYGMQNXTGC-LBPRGKRZSA-N 1 0 336.417 1.342 10 0 EDAERO CCCNC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000171607351 528338767 /nfs/dbraw/zinc/33/87/67/528338767.db2.gz VPGDXHCMTKTXDO-SFHVURJKSA-N 1 0 345.487 1.924 10 0 EDAERO CC[C@@H]1C(=O)NC(=O)CN1c1cccc(Br)c1C[NH3+] ZINC000168321127 529264877 /nfs/dbraw/zinc/26/48/77/529264877.db2.gz QIWRVMBEOYYJBY-SNVBAGLBSA-N 1 0 326.194 1.149 10 0 EDAERO CC[C@H]1CN(C(=O)Cc2c(C)noc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174631210 529270315 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340.427 1.785 10 0 EDAERO Cn1cnc([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@H]2[NH3+])c1 ZINC000864341438 596858494 /nfs/dbraw/zinc/85/84/94/596858494.db2.gz IZUKTHIXQUCYSL-CHWSQXEVSA-N 1 0 338.415 1.182 10 0 EDAERO COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000124484367 597265495 /nfs/dbraw/zinc/26/54/95/597265495.db2.gz IURDLVFLIMCLDM-ZYHUDNBSSA-N 1 0 330.381 1.018 10 0 EDAERO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCOCC1 ZINC000129961808 598038176 /nfs/dbraw/zinc/03/81/76/598038176.db2.gz DHUOGICOMZFXDH-CVEARBPZSA-N 1 0 341.496 1.944 10 0 EDAERO CC(=O)N[C@@H](C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174852729 697120033 /nfs/dbraw/zinc/12/00/33/697120033.db2.gz WBSWIGXVSVGZRC-KBXCAEBGSA-N 1 0 347.459 1.073 10 0 EDAERO CNc1ncc(Br)cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000050787952 214070323 /nfs/dbraw/zinc/07/03/23/214070323.db2.gz UQVDJCIQEFHHPV-UHFFFAOYSA-N 1 0 341.253 1.957 10 0 EDAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000052555350 214133377 /nfs/dbraw/zinc/13/33/77/214133377.db2.gz HDXFVTQCBICCKX-QGZVFWFLSA-N 1 0 336.399 1.695 10 0 EDAERO C[NH2+]Cc1nnnn1-c1cc(Br)ccc1Br ZINC000054762340 214254369 /nfs/dbraw/zinc/25/43/69/214254369.db2.gz GVZDYCVXOSONJB-UHFFFAOYSA-N 1 0 347.014 1.907 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000173686959 231005529 /nfs/dbraw/zinc/00/55/29/231005529.db2.gz GUSLDPJSGVKEOC-GFCCVEGCSA-N 1 0 328.457 1.635 10 0 EDAERO C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@@H]1N1CCOCC1 ZINC000173867463 231056198 /nfs/dbraw/zinc/05/61/98/231056198.db2.gz HHGIFDHJSVBWNG-JSGCOSHPSA-N 1 0 336.457 1.614 10 0 EDAERO CS(=O)(=O)CCCOc1ccc(CC[NH3+])cc1Br ZINC000063017593 214740587 /nfs/dbraw/zinc/74/05/87/214740587.db2.gz WDJZYLFYGKAHNR-UHFFFAOYSA-N 1 0 336.251 1.764 10 0 EDAERO COCc1cccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000174005230 231097100 /nfs/dbraw/zinc/09/71/00/231097100.db2.gz SFGBAWHMUYZELJ-CJNGLKHVSA-N 1 0 326.462 1.840 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000174610075 529405976 /nfs/dbraw/zinc/40/59/76/529405976.db2.gz OSYRJORDLFPBCJ-IAGOWNOFSA-N 1 0 344.459 1.596 10 0 EDAERO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1Br ZINC000063175852 214748946 /nfs/dbraw/zinc/74/89/46/214748946.db2.gz GZPQAEIILRFBDM-QWRGUYRKSA-N 1 0 349.250 1.616 10 0 EDAERO CCn1nc(C)c(Br)c1CC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000168063210 529599536 /nfs/dbraw/zinc/59/95/36/529599536.db2.gz NGLLGTNPCVJHHI-UWVGGRQHSA-N 1 0 330.226 1.462 10 0 EDAERO CCC(CC)[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)N1CCOCC1 ZINC000262176990 282221763 /nfs/dbraw/zinc/22/17/63/282221763.db2.gz YVSNMAHIUUOMMY-HOTGVXAUSA-N 1 0 325.497 1.709 10 0 EDAERO CC[C@H](O)C[NH+]1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000174070383 529701662 /nfs/dbraw/zinc/70/16/62/529701662.db2.gz MXHMGTWOMREWSZ-IRXDYDNUSA-N 1 0 333.432 1.400 10 0 EDAERO CC[C@H](O)C[NH+]1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000174093267 529702033 /nfs/dbraw/zinc/70/20/33/529702033.db2.gz HCXAWOFPQOJMOE-ROUUACIJSA-N 1 0 349.450 1.710 10 0 EDAERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1Br)[C@@H]1CCOC1 ZINC000158777506 530042659 /nfs/dbraw/zinc/04/26/59/530042659.db2.gz YMCVVCZBJWWYEB-PWSUYJOCSA-N 1 0 348.262 1.847 10 0 EDAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1=O ZINC000166466003 530044702 /nfs/dbraw/zinc/04/47/02/530044702.db2.gz LYQQCGBBGUBNPO-GFCCVEGCSA-N 1 0 348.200 1.844 10 0 EDAERO Cn1cnc([C@@H]2CN(C(=O)COc3ccc4c(c3)CCC4)C[C@H]2[NH3+])c1 ZINC000685942779 539582459 /nfs/dbraw/zinc/58/24/59/539582459.db2.gz OEYQLWOMFUPWMB-IAGOWNOFSA-N 1 0 340.427 1.241 10 0 EDAERO Brc1cccc(OCC[NH2+]CCN2CCOCC2)c1 ZINC000042307646 213494083 /nfs/dbraw/zinc/49/40/83/213494083.db2.gz WVAOGOFOTZHOCA-UHFFFAOYSA-N 1 0 329.238 1.750 10 0 EDAERO CC1(C)C(=O)NCCN1[C@H](C[NH3+])c1cccc(Br)c1 ZINC000104127899 219349573 /nfs/dbraw/zinc/34/95/73/219349573.db2.gz JJLLGEBUKWLOPR-GFCCVEGCSA-N 1 0 326.238 1.659 10 0 EDAERO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000069143323 215363775 /nfs/dbraw/zinc/36/37/75/215363775.db2.gz QHMKWKVGIDQUDS-JTQLQIEISA-N 1 0 334.235 1.822 10 0 EDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2I)C1 ZINC000040631319 213361815 /nfs/dbraw/zinc/36/18/15/213361815.db2.gz WKNRSWWJAHGTTK-GZMMTYOYSA-N 1 0 346.168 1.607 10 0 EDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(I)c2)C1 ZINC000040631317 213360648 /nfs/dbraw/zinc/36/06/48/213360648.db2.gz AHTFSZLOVLONGS-QWRGUYRKSA-N 1 0 346.168 1.607 10 0 EDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177849954 540106980 /nfs/dbraw/zinc/10/69/80/540106980.db2.gz KODPIKFDECUXMQ-AWEZNQCLSA-N 1 0 335.452 1.324 10 0 EDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000183636681 540139465 /nfs/dbraw/zinc/13/94/65/540139465.db2.gz NQYYWQGANVBTLL-CYBMUJFWSA-N 1 0 347.337 1.884 10 0 EDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1Cl)C(C)C ZINC000183683699 540140114 /nfs/dbraw/zinc/14/01/14/540140114.db2.gz LVKWUDRAFNCUCG-IAQYHMDHSA-N 1 0 325.840 1.877 10 0 EDAERO Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000191947653 540176426 /nfs/dbraw/zinc/17/64/26/540176426.db2.gz LFIASVGTCWYZII-OAHLLOKOSA-N 1 0 341.415 1.282 10 0 EDAERO CC[C@H]1CN(CC(=O)N(C)C2CCCCC2)CC[N@@H+]1CCOC ZINC000105836441 219553761 /nfs/dbraw/zinc/55/37/61/219553761.db2.gz BBFYGJFIHOBGJI-INIZCTEOSA-N 1 0 325.497 1.820 10 0 EDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000075848916 138244154 /nfs/dbraw/zinc/24/41/54/138244154.db2.gz YEKPUSRDXRYEPE-KBPBESRZSA-N 1 0 330.432 1.797 10 0 EDAERO COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc2c1OCCO2 ZINC000120991643 138316713 /nfs/dbraw/zinc/31/67/13/138316713.db2.gz MGDWQIAMERGTSO-OAHLLOKOSA-N 1 0 334.416 1.373 10 0 EDAERO Cn1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(-c2cccnc2)n1 ZINC000120995026 138316718 /nfs/dbraw/zinc/31/67/18/138316718.db2.gz BCEBLWFTWHTJSP-KRWDZBQOSA-N 1 0 327.432 1.389 10 0 EDAERO CC(C)[NH+]1CCC(NC(=O)CN2CCC(c3cc[nH]n3)CC2)CC1 ZINC000114456139 138310202 /nfs/dbraw/zinc/31/02/02/138310202.db2.gz JNGMWJYDHOHFON-UHFFFAOYSA-N 1 0 333.480 1.578 10 0 EDAERO C[C@@]([NH2+]C[C@@H]1CCCO1)(C(N)=O)c1ccc(Br)cc1 ZINC000037950572 213175823 /nfs/dbraw/zinc/17/58/23/213175823.db2.gz NPGOKZOYNZWPKD-JSGCOSHPSA-N 1 0 327.222 1.918 10 0 EDAERO CC[NH+](CC)CCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000037943655 213174669 /nfs/dbraw/zinc/17/46/69/213174669.db2.gz LXBUXSCNZLLJOX-CYBMUJFWSA-N 1 0 328.254 1.907 10 0 EDAERO NC(=O)CN(Cc1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000037542957 213154927 /nfs/dbraw/zinc/15/49/27/213154927.db2.gz OJIBGODVDWQRFJ-UHFFFAOYSA-N 1 0 332.267 1.550 10 0 EDAERO CN(c1cc(Br)ccc1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000036870400 213124674 /nfs/dbraw/zinc/12/46/74/213124674.db2.gz KLAIRXMEPYOGFG-NSHDSACASA-N 1 0 333.251 1.531 10 0 EDAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCS(=O)(=O)CC1 ZINC000036160927 213074107 /nfs/dbraw/zinc/07/41/07/213074107.db2.gz JEQUPHOYDSICSQ-LBPRGKRZSA-N 1 0 333.251 1.179 10 0 EDAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000181699690 138770710 /nfs/dbraw/zinc/77/07/10/138770710.db2.gz JGDSUSGNZVMTGI-LSDHHAIUSA-N 1 0 348.495 1.700 10 0 EDAERO C[C@H]1C[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)C[N@@H+]1C1CC1 ZINC000130666752 223167757 /nfs/dbraw/zinc/16/77/57/223167757.db2.gz PMXIMFUTCSODAA-ZFWWWQNUSA-N 1 0 344.463 1.688 10 0 EDAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000130685730 223169456 /nfs/dbraw/zinc/16/94/56/223169456.db2.gz JFSQSRRAHLDSOY-GDBMZVCRSA-N 1 0 333.432 1.354 10 0 EDAERO C[S@@](=O)C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccccc1 ZINC000194815424 291449845 /nfs/dbraw/zinc/44/98/45/291449845.db2.gz KQWXOISTFNDPEL-WHEQGISXSA-N 1 0 337.470 1.494 10 0 EDAERO O=C(NCc1ccc(OCCOc2ccccc2)nc1)[C@@H]1CCC[NH2+]1 ZINC000077701751 216958579 /nfs/dbraw/zinc/95/85/79/216958579.db2.gz NMBKASIYTIYPKJ-KRWDZBQOSA-N 1 0 341.411 1.908 10 0 EDAERO Cn1c2ccc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cc2sc1=O ZINC000194993222 139003967 /nfs/dbraw/zinc/00/39/67/139003967.db2.gz RTSPGCICBLQWCZ-AWEZNQCLSA-N 1 0 333.457 1.507 10 0 EDAERO CCn1c2ccccc2n(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1=O ZINC000195074987 139006320 /nfs/dbraw/zinc/00/63/20/139006320.db2.gz PRKMMYNIVACIRJ-HNNXBMFYSA-N 1 0 342.443 1.520 10 0 EDAERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000195263680 139011902 /nfs/dbraw/zinc/01/19/02/139011902.db2.gz SJUGTTUTYYSQLR-CVEARBPZSA-N 1 0 349.504 1.463 10 0 EDAERO Cn1nccc1C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000195504280 139018258 /nfs/dbraw/zinc/01/82/58/139018258.db2.gz XTVKXULASCREKD-ROUUACIJSA-N 1 0 346.475 1.770 10 0 EDAERO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000195507420 139018452 /nfs/dbraw/zinc/01/84/52/139018452.db2.gz WGIWMAUPRYKKIT-IAGOWNOFSA-N 1 0 332.448 1.759 10 0 EDAERO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1[NH3+] ZINC000235364959 139026164 /nfs/dbraw/zinc/02/61/64/139026164.db2.gz ZOKKVDIQRARNDA-XCBNKYQSSA-N 1 0 337.214 1.556 10 0 EDAERO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236619608 139027137 /nfs/dbraw/zinc/02/71/37/139027137.db2.gz QMTYBAKHBLRMEA-PKOBYXMFSA-N 1 0 345.487 1.876 10 0 EDAERO CCOc1ccc(C(=O)N[C@H](C(=O)N2CC[NH2+]CC2)C(C)C)cc1 ZINC000236907006 139034889 /nfs/dbraw/zinc/03/48/89/139034889.db2.gz OENKKZBSTFTSBA-INIZCTEOSA-N 1 0 333.432 1.272 10 0 EDAERO COCCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000237175607 139043028 /nfs/dbraw/zinc/04/30/28/139043028.db2.gz VASBCQBWUQKAGS-DOMZBBRYSA-N 1 0 328.434 1.118 10 0 EDAERO C[C@@H](C[NH3+])CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000237349454 139048845 /nfs/dbraw/zinc/04/88/45/139048845.db2.gz ZNVAPOKVCTTYAN-DZGCQCFKSA-N 1 0 345.468 1.800 10 0 EDAERO C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@@H](C)O1 ZINC000080157413 217284532 /nfs/dbraw/zinc/28/45/32/217284532.db2.gz KMOOKIJIXCWBHK-VXGBXAGGSA-N 1 0 334.420 1.488 10 0 EDAERO O=C(NCCN1CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000238088802 139068799 /nfs/dbraw/zinc/06/87/99/139068799.db2.gz WWFUSMMYTOLUEC-UHFFFAOYSA-N 1 0 339.439 1.901 10 0 EDAERO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000245425208 139073843 /nfs/dbraw/zinc/07/38/43/139073843.db2.gz SVLLVSFTMOWSPC-NSHDSACASA-N 1 0 342.392 1.081 10 0 EDAERO COc1cc(OC)c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(OC)c1 ZINC000245740641 139084742 /nfs/dbraw/zinc/08/47/42/139084742.db2.gz LSRIVYQCZPOVLU-KGLIPLIRSA-N 1 0 338.448 1.599 10 0 EDAERO CC[C@H]1CN(Cc2ccccc2OCCOC)CC[N@@H+]1C[C@H](C)O ZINC000245783690 139086208 /nfs/dbraw/zinc/08/62/08/139086208.db2.gz USYVCILVFIMINS-WMZOPIPTSA-N 1 0 336.476 1.989 10 0 EDAERO CC[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)CC[N@@H+]1C[C@H](C)O ZINC000246036809 139093061 /nfs/dbraw/zinc/09/30/61/139093061.db2.gz QCGYYQLXNVADHI-JZXOWHBKSA-N 1 0 331.460 1.569 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)C[C@H]1C ZINC000246067702 139093788 /nfs/dbraw/zinc/09/37/88/139093788.db2.gz DTYLDCILTRFLHY-OAGGEKHMSA-N 1 0 333.480 1.604 10 0 EDAERO C[C@H](O)c1ccc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000246137195 139096364 /nfs/dbraw/zinc/09/63/64/139096364.db2.gz NFUZDFLRCBGJQS-VKJFTORMSA-N 1 0 347.459 1.602 10 0 EDAERO Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246458596 139109164 /nfs/dbraw/zinc/10/91/64/139109164.db2.gz NHNUQOCOYWVMKM-AEFFLSMTSA-N 1 0 331.460 1.264 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N1CCCCC1 ZINC000246577720 139113602 /nfs/dbraw/zinc/11/36/02/139113602.db2.gz ZROOKZVPNZGECL-CVEARBPZSA-N 1 0 336.480 1.657 10 0 EDAERO C[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000246560822 139112862 /nfs/dbraw/zinc/11/28/62/139112862.db2.gz UUSLJHDNBOFPAT-OAUYIBNBSA-N 1 0 326.387 1.651 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)C[C@H]1C ZINC000246721767 139118718 /nfs/dbraw/zinc/11/87/18/139118718.db2.gz LLWANJYGHNDVCY-VNHYZAJKSA-N 1 0 331.416 1.026 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000246870401 139124977 /nfs/dbraw/zinc/12/49/77/139124977.db2.gz FBGFJIAREJPJOS-HOTGVXAUSA-N 1 0 325.416 1.966 10 0 EDAERO C[N@H+](C[C@@H](O)Cc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246991687 139130062 /nfs/dbraw/zinc/13/00/62/139130062.db2.gz BAWBBWANTLNNNP-ROUUACIJSA-N 1 0 326.444 1.981 10 0 EDAERO CCOC(=O)c1cccc(OC[C@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247062071 139133892 /nfs/dbraw/zinc/13/38/92/139133892.db2.gz FZOAUTXLWUHPHR-DLBZAZTESA-N 1 0 348.443 1.383 10 0 EDAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247134640 139137262 /nfs/dbraw/zinc/13/72/62/139137262.db2.gz KPIWBCJSIGKFMI-BSDSXHPESA-N 1 0 339.524 1.943 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000247323424 139144946 /nfs/dbraw/zinc/14/49/46/139144946.db2.gz MNLUAMSVHYKKIO-SJLPKXTDSA-N 1 0 345.491 1.638 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2cnccn2)n1 ZINC000247473753 139149603 /nfs/dbraw/zinc/14/96/03/139149603.db2.gz RXJJGLBWGQJCDM-NEPJUHHUSA-N 1 0 329.429 1.909 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)OC(C)(C)C ZINC000247549087 139151940 /nfs/dbraw/zinc/15/19/40/139151940.db2.gz ZDOSFMOFDAQBKW-STQMWFEESA-N 1 0 326.441 1.389 10 0 EDAERO CC[C@@H]1CN(C(=O)N[C@H]2COc3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000247535055 139151554 /nfs/dbraw/zinc/15/15/54/139151554.db2.gz PNWBPYRZXAIIAD-FMKPAKJESA-N 1 0 333.432 1.607 10 0 EDAERO Cc1ccc(N2CCC[C@H](N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)C2=O)cc1 ZINC000247708928 139154324 /nfs/dbraw/zinc/15/43/24/139154324.db2.gz ZRQFIEJVEAMWEP-LNLFQRSKSA-N 1 0 345.487 1.877 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000248344217 139160489 /nfs/dbraw/zinc/16/04/89/139160489.db2.gz LHIXAKABHVXYOI-ZFWWWQNUSA-N 1 0 331.416 1.250 10 0 EDAERO COC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248428363 139163416 /nfs/dbraw/zinc/16/34/16/139163416.db2.gz PBDCCBOXVUBTFT-NVXWUHKLSA-N 1 0 348.443 1.505 10 0 EDAERO CC(C)c1csc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000248680160 139171291 /nfs/dbraw/zinc/17/12/91/139171291.db2.gz NOZLFVJMQYKHKF-RYUDHWBXSA-N 1 0 336.461 1.900 10 0 EDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2c(F)cccc2F)C[C@@H]1C ZINC000248665527 139170777 /nfs/dbraw/zinc/17/07/77/139170777.db2.gz WFBOUHDUETVQTM-STQMWFEESA-N 1 0 341.402 1.604 10 0 EDAERO CC[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CC[N@@H+]1C[C@H](C)O ZINC000249018360 139183317 /nfs/dbraw/zinc/18/33/17/139183317.db2.gz QEWZZKBPBLNSFI-DZGCQCFKSA-N 1 0 333.436 1.352 10 0 EDAERO CCc1csc([C@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)n1 ZINC000249807588 139198761 /nfs/dbraw/zinc/19/87/61/139198761.db2.gz BSVFEOSBPMDJJE-HOCLYGCPSA-N 1 0 339.505 1.578 10 0 EDAERO CC1(C)CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000261606903 139210328 /nfs/dbraw/zinc/21/03/28/139210328.db2.gz BGFSMIVTTOLROU-KRWDZBQOSA-N 1 0 348.466 1.534 10 0 EDAERO CC1(C)CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC[C@@H]1[NH3+] ZINC000261822839 139229170 /nfs/dbraw/zinc/22/91/70/139229170.db2.gz KKYQEKATKPYJFO-AWEZNQCLSA-N 1 0 344.415 1.044 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[NH3+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)C(=O)NCc1ccccc1 ZINC000039158575 441616871 /nfs/dbraw/zinc/61/68/71/441616871.db2.gz BXEZVLPIHWQLIG-CVEARBPZSA-N 1 0 334.366 1.869 10 0 EDAERO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(OC)ccn2)ncn1 ZINC000173448136 441754399 /nfs/dbraw/zinc/75/43/99/441754399.db2.gz JPNVDPXVHMVOLP-GFCCVEGCSA-N 1 0 342.403 1.321 10 0 EDAERO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000158322901 441723644 /nfs/dbraw/zinc/72/36/44/441723644.db2.gz WJOLIAPEZKLEQO-OCCSQVGLSA-N 1 0 344.477 1.503 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000173647473 441814541 /nfs/dbraw/zinc/81/45/41/441814541.db2.gz GCGIGGGXCJQQHS-GXTWGEPZSA-N 1 0 337.445 1.791 10 0 EDAERO Cc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)C2=O)cc1 ZINC000173913823 441860788 /nfs/dbraw/zinc/86/07/88/441860788.db2.gz XQPBCELKGONFGC-HZPDHXFCSA-N 1 0 330.432 1.446 10 0 EDAERO CC(C)C(=O)NCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000122020571 441830011 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EDAERO COCCN1CCN(C(=O)c2cccc(-c3nnc(C)o3)c2)C[C@@H]1C ZINC000174954923 441988280 /nfs/dbraw/zinc/98/82/80/441988280.db2.gz ZVFCTYQFMMBTPL-ZDUSSCGKSA-N 1 0 344.415 1.838 10 0 EDAERO CC[C@H]1CN(C(=O)CCSc2n[nH]c(C)n2)CC[N@@H+]1CCOC ZINC000174956897 441989284 /nfs/dbraw/zinc/98/92/84/441989284.db2.gz YBFHXEXUWQYRPH-ZDUSSCGKSA-N 1 0 341.481 1.165 10 0 EDAERO COc1cccc(C(C)(C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000120198247 442026731 /nfs/dbraw/zinc/02/67/31/442026731.db2.gz SVIQYVDLMPDYLR-KRWDZBQOSA-N 1 0 349.475 1.945 10 0 EDAERO C[C@@H]1CCCN(c2ncc(I)cn2)[C@@H]1C[NH3+] ZINC000126262466 442093434 /nfs/dbraw/zinc/09/34/34/442093434.db2.gz QYJDRGXWHAXLPL-PSASIEDQSA-N 1 0 332.189 1.645 10 0 EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000079646721 442073998 /nfs/dbraw/zinc/07/39/98/442073998.db2.gz UWVXTFOZCNQRPC-QGZVFWFLSA-N 1 0 348.491 1.921 10 0 EDAERO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)N1CCOCC1 ZINC000079689745 442078064 /nfs/dbraw/zinc/07/80/64/442078064.db2.gz RNHSGAWPVZKKEW-JKSUJKDBSA-N 1 0 326.485 1.128 10 0 EDAERO CC[C@H](C)OCC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000126681361 442133993 /nfs/dbraw/zinc/13/39/93/442133993.db2.gz YUNNAGCTXPBWFB-IRXDYDNUSA-N 1 0 341.496 1.055 10 0 EDAERO CC[C@H](COC)NC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000163192868 442149910 /nfs/dbraw/zinc/14/99/10/442149910.db2.gz CVRLVHLOZAEFEC-MRXNPFEDSA-N 1 0 349.479 1.400 10 0 EDAERO COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120857933 442141990 /nfs/dbraw/zinc/14/19/90/442141990.db2.gz KYCJFOGHYWHHFU-IAGOWNOFSA-N 1 0 346.427 1.639 10 0 EDAERO C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000175927457 442147645 /nfs/dbraw/zinc/14/76/45/442147645.db2.gz DMSJYFPUCYZCJA-FUHWJXTLSA-N 1 0 349.475 1.977 10 0 EDAERO C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000175633447 442096907 /nfs/dbraw/zinc/09/69/07/442096907.db2.gz ZIJHGIWJRNVTQU-GOEBONIOSA-N 1 0 327.469 1.696 10 0 EDAERO CCc1ccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1CC ZINC000162577016 442105516 /nfs/dbraw/zinc/10/55/16/442105516.db2.gz DQIXERHAZKKFEV-MRXNPFEDSA-N 1 0 340.489 1.763 10 0 EDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C3CC3)CC2)nc1 ZINC000176081829 442173246 /nfs/dbraw/zinc/17/32/46/442173246.db2.gz BMFGMFDTJUVWHC-IRXDYDNUSA-N 1 0 328.460 1.838 10 0 EDAERO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000121154870 442184105 /nfs/dbraw/zinc/18/41/05/442184105.db2.gz LEUFDKZARKWGSZ-LSDHHAIUSA-N 1 0 340.464 1.678 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)CCO1 ZINC000121220944 442193315 /nfs/dbraw/zinc/19/33/15/442193315.db2.gz OXRYTXAKMMIWEE-AWEZNQCLSA-N 1 0 349.406 1.355 10 0 EDAERO CC[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000165669203 442210130 /nfs/dbraw/zinc/21/01/30/442210130.db2.gz PXYUYMWFHPMNTJ-RBUKOAKNSA-N 1 0 347.503 1.888 10 0 EDAERO CC(C)c1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)nn1C ZINC000176455876 442224608 /nfs/dbraw/zinc/22/46/08/442224608.db2.gz FGJYWNSKCJCOHR-AWEZNQCLSA-N 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330.432 1.381 10 0 EDAERO CCC[C@@H](C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)[NH+](C)C ZINC000135909841 442640519 /nfs/dbraw/zinc/64/05/19/442640519.db2.gz ZWCVIZMGQKREHP-HNNXBMFYSA-N 1 0 339.461 1.895 10 0 EDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000186986130 442641728 /nfs/dbraw/zinc/64/17/28/442641728.db2.gz MRHZMVLPFDEOPN-WDEREUQCSA-N 1 0 334.392 1.005 10 0 EDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCC(=O)OC(C)(C)C)CC1 ZINC000192431778 442646303 /nfs/dbraw/zinc/64/63/03/442646303.db2.gz MBTXHZARVOWIGD-AWEZNQCLSA-N 1 0 342.480 1.660 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000135557064 442611594 /nfs/dbraw/zinc/61/15/94/442611594.db2.gz NKIOLVSZLVDCHV-INIZCTEOSA-N 1 0 327.432 1.888 10 0 EDAERO CCOCc1ccc(CNC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000157811537 442616657 /nfs/dbraw/zinc/61/66/57/442616657.db2.gz VTGVLVSVGZNEIB-SFHVURJKSA-N 1 0 349.475 1.102 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC000135630141 442620194 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O[C@H](C[NH2+]CCN1CCCC1)COc1cccc(Br)c1 ZINC000048298991 204345192 /nfs/dbraw/zinc/34/51/92/204345192.db2.gz CHYDITXLACJYQH-CQSZACIVSA-N 1 0 343.265 1.874 10 0 EDAERO C[NH+](C)Cc1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111426220 204356950 /nfs/dbraw/zinc/35/69/50/204356950.db2.gz HBIXNXRAWQXJMG-QGZVFWFLSA-N 1 0 343.431 1.878 10 0 EDAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000048818824 204357033 /nfs/dbraw/zinc/35/70/33/204357033.db2.gz VOUSZEJJMFHQCH-SECBINFHSA-N 1 0 328.210 1.773 10 0 EDAERO CN(CCC[NH3+])S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC000049061281 204367011 /nfs/dbraw/zinc/36/70/11/204367011.db2.gz JMHCJBATIVSTSF-UHFFFAOYSA-N 1 0 325.356 1.320 10 0 EDAERO O=C(CN1C(=O)CSc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318610 139013792 /nfs/dbraw/zinc/01/37/92/139013792.db2.gz HENFMFLYVWEKGB-CYBMUJFWSA-N 1 0 331.441 1.432 10 0 EDAERO Cc1cccc(NC[C@@H]2CCN(CC(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000195516087 139018849 /nfs/dbraw/zinc/01/88/49/139018849.db2.gz 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EDAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1NC(C)=O ZINC000180597012 207804947 /nfs/dbraw/zinc/80/49/47/207804947.db2.gz JTUDNMJJCHAOFK-SMDDNHRTSA-N 1 0 329.404 1.911 10 0 EDAERO Cc1oc(-c2cnn(C)c2)nc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263197756 139327876 /nfs/dbraw/zinc/32/78/76/139327876.db2.gz IPNAXQZLWZRYPD-LLVKDONJSA-N 1 0 329.364 1.010 10 0 EDAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)ccc1-n1cncn1 ZINC000263225197 139329513 /nfs/dbraw/zinc/32/95/13/139329513.db2.gz MRGHYAIJHDVBHV-CQSZACIVSA-N 1 0 325.376 1.202 10 0 EDAERO CC(C)[C@H](NC(=O)c1ccco1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263247482 139330830 /nfs/dbraw/zinc/33/08/30/139330830.db2.gz PLRDFXIDJSZJGP-YPMHNXCESA-N 1 0 333.392 1.366 10 0 EDAERO CN1CC[NH2+]C[C@H]1c1noc(CC[C@@H]2Cc3ccccc3NC2=O)n1 ZINC000263283913 139333184 /nfs/dbraw/zinc/33/31/84/139333184.db2.gz USLZHXUFCXMQGK-HIFRSBDPSA-N 1 0 341.415 1.389 10 0 EDAERO CC(C)NC(=O)Nc1cccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263308745 139334938 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C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)[C@@H](C[NH3+])C1 ZINC000333136189 296519259 /nfs/dbraw/zinc/51/92/59/296519259.db2.gz CILHOGDEOLFMTC-KQTLUZQSSA-N 1 0 327.494 1.810 10 0 EDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000332778306 141237128 /nfs/dbraw/zinc/23/71/28/141237128.db2.gz LKNWOWYYWJMOTO-BZUAXINKSA-N 1 0 330.432 1.352 10 0 EDAERO Cc1nnc([C@H]2CCCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)[nH]1 ZINC000333107328 141265236 /nfs/dbraw/zinc/26/52/36/141265236.db2.gz FWMUXXZDAQXIEX-MRXNPFEDSA-N 1 0 348.495 1.629 10 0 EDAERO C[N@H+](CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCSC1 ZINC000333113492 141266437 /nfs/dbraw/zinc/26/64/37/141266437.db2.gz FVPBLBDXVRUXNF-QLFBSQMISA-N 1 0 339.505 1.331 10 0 EDAERO Cn1nccc1N1CCC[C@@H](NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000333260406 141288959 /nfs/dbraw/zinc/28/89/59/141288959.db2.gz FOGCITULRNVNKV-RBSFLKMASA-N 1 0 334.468 1.171 10 0 EDAERO Cn1nccc1N1CCC[C@@H](NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000333260407 141289010 /nfs/dbraw/zinc/28/90/10/141289010.db2.gz FOGCITULRNVNKV-RRFJBIMHSA-N 1 0 334.468 1.171 10 0 EDAERO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@@](C)(O)C2)cc1 ZINC000333677205 141354951 /nfs/dbraw/zinc/35/49/51/141354951.db2.gz OFDCMSFWIIQREY-LZLYRXPVSA-N 1 0 333.432 1.307 10 0 EDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000246068436 287230464 /nfs/dbraw/zinc/23/04/64/287230464.db2.gz CAEIVFSKLFELDH-KGLIPLIRSA-N 1 0 344.477 1.218 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)NCCc2ccccc2)C1 ZINC000057637771 287233458 /nfs/dbraw/zinc/23/34/58/287233458.db2.gz GFQRONSNLGHMKM-INIZCTEOSA-N 1 0 332.448 1.129 10 0 EDAERO CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)CC2 ZINC000114975787 287344177 /nfs/dbraw/zinc/34/41/77/287344177.db2.gz LTHJNRLANHKKLC-AWEZNQCLSA-N 1 0 334.468 1.139 10 0 EDAERO Cc1cc(=O)n2nc(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)sc2n1 ZINC000116321589 287346814 /nfs/dbraw/zinc/34/68/14/287346814.db2.gz OKDGBUQHWIYPIH-NSHDSACASA-N 1 0 330.417 1.182 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000119386193 287352310 /nfs/dbraw/zinc/35/23/10/287352310.db2.gz YBFLLKXZWCKFAI-OLZOCXBDSA-N 1 0 328.457 1.539 10 0 EDAERO [NH3+]Cc1c(Br)cccc1N1CCC(OCCO)CC1 ZINC000168328036 226211553 /nfs/dbraw/zinc/21/15/53/226211553.db2.gz SUZIDZRBJLEFBU-UHFFFAOYSA-N 1 0 329.238 1.886 10 0 EDAERO Cc1ccc(-c2nnn(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)n2)cc1 ZINC000128914386 287465877 /nfs/dbraw/zinc/46/58/77/287465877.db2.gz CYDHFJGFUKVRCZ-MRXNPFEDSA-N 1 0 344.463 1.741 10 0 EDAERO C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)N(C)c1ccccc1 ZINC000192801634 272986723 /nfs/dbraw/zinc/98/67/23/272986723.db2.gz NSGCSFYAJHSYFJ-SJLPKXTDSA-N 1 0 348.491 1.657 10 0 EDAERO CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248613058 287774785 /nfs/dbraw/zinc/77/47/85/287774785.db2.gz LJOWHATXHLLYBU-NVFLPZOVSA-N 1 0 349.456 1.267 10 0 EDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255917582 287853549 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CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193378902 278115596 /nfs/dbraw/zinc/11/55/96/278115596.db2.gz OTKNSZIXGCNAEU-HUUCEWRRSA-N 1 0 331.478 1.865 10 0 EDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173854348 278971187 /nfs/dbraw/zinc/97/11/87/278971187.db2.gz RXOLCLHUWRCFPD-HOTGVXAUSA-N 1 0 326.485 1.079 10 0 EDAERO CCO[C@@H]1C[C@H](NC(=O)NCCC[NH+](CC)CC)C12CCOCC2 ZINC000185046909 279849448 /nfs/dbraw/zinc/84/94/48/279849448.db2.gz ZRPGQKQRSZDPDM-JKSUJKDBSA-N 1 0 341.496 1.992 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000137423628 288305528 /nfs/dbraw/zinc/30/55/28/288305528.db2.gz TWJZLJSZHKDIJP-VXGBXAGGSA-N 1 0 337.493 1.943 10 0 EDAERO C[C@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C)S(=O)(=O)c1ccc(F)cc1 ZINC000262903297 298308425 /nfs/dbraw/zinc/30/84/25/298308425.db2.gz XWYPVUSJZOUUEP-JMSVASOKSA-N 1 0 342.436 1.492 10 0 EDAERO [NH3+]CC1(C(=O)NCc2cccc(Cn3ccnc3)c2)CCOCC1 ZINC000262082411 303369435 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C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000081476401 441275151 /nfs/dbraw/zinc/27/51/51/441275151.db2.gz ZHDHFVDPPLDMBO-AEFFLSMTSA-N 1 0 349.475 1.977 10 0 EDAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000063737748 441347836 /nfs/dbraw/zinc/34/78/36/441347836.db2.gz PGKBSJBGTDKKHV-LBPRGKRZSA-N 1 0 327.450 1.103 10 0 EDAERO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000106483374 441346375 /nfs/dbraw/zinc/34/63/75/441346375.db2.gz OLXXFJFZBNZPGC-HOTGVXAUSA-N 1 0 332.496 1.761 10 0 EDAERO O[C@H](COCc1ccco1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105902227 441313494 /nfs/dbraw/zinc/31/34/94/441313494.db2.gz WDAXWLKSILSBKP-HNNXBMFYSA-N 1 0 332.404 1.524 10 0 EDAERO CCn1cnnc1C1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000105904711 441314680 /nfs/dbraw/zinc/31/46/80/441314680.db2.gz VVTWFVVAPVVISK-HZPDHXFCSA-N 1 0 338.452 1.034 10 0 EDAERO CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1 ZINC000064658393 441388207 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O=C(N[C@H]1CCCn2ncnc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176591527 442238118 /nfs/dbraw/zinc/23/81/18/442238118.db2.gz ZHVBPHBZJHCVJI-HNNXBMFYSA-N 1 0 332.452 1.630 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000176897698 442269288 /nfs/dbraw/zinc/26/92/88/442269288.db2.gz OYHUOVSHZOGXML-INIZCTEOSA-N 1 0 331.416 1.770 10 0 EDAERO Cc1cccc(NC[C@H]2CCN([C@@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000170836393 442272610 /nfs/dbraw/zinc/27/26/10/442272610.db2.gz VEXVTGVFGUXIMV-LSDHHAIUSA-N 1 0 340.431 1.941 10 0 EDAERO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1C ZINC000170844933 442274123 /nfs/dbraw/zinc/27/41/23/442274123.db2.gz VFPLSYNLKQTFMS-CQSZACIVSA-N 1 0 332.404 1.054 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)CSCC(=O)Nc2ccc(F)cc2)C1 ZINC000170859433 442277162 /nfs/dbraw/zinc/27/71/62/442277162.db2.gz YNMJMVUWMFDJSL-CQSZACIVSA-N 1 0 339.436 1.660 10 0 EDAERO Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000176970313 442279087 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EDAERO COCCC[NH+]1CCC(NC(=O)N[C@H]2COc3ccccc32)CC1 ZINC000171203481 442327508 /nfs/dbraw/zinc/32/75/08/442327508.db2.gz IFUMMNOHGQUYNC-INIZCTEOSA-N 1 0 333.432 1.920 10 0 EDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000177423638 442340142 /nfs/dbraw/zinc/34/01/42/442340142.db2.gz YPBHMLVWEWABLU-ZDUSSCGKSA-N 1 0 339.386 1.637 10 0 EDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000171075170 442306939 /nfs/dbraw/zinc/30/69/39/442306939.db2.gz JHOAQUPBZVVDDE-HZPDHXFCSA-N 1 0 346.431 1.972 10 0 EDAERO CC(C)Oc1cc(C[N@H+](C[C@@H](O)CN2CCCC2=O)C2CC2)ccn1 ZINC000131715343 442378611 /nfs/dbraw/zinc/37/86/11/442378611.db2.gz RDDKGSHJBLETJY-KRWDZBQOSA-N 1 0 347.459 1.817 10 0 EDAERO CN(C(=O)N[C@H]1CCCOC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171760782 442378811 /nfs/dbraw/zinc/37/88/11/442378811.db2.gz ZKZKKLFGTAMJRV-HNNXBMFYSA-N 1 0 335.452 1.168 10 0 EDAERO COc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000171807489 442382058 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Cn1c(C[NH3+])nnc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000071374111 202346962 /nfs/dbraw/zinc/34/69/62/202346962.db2.gz RAKDVGSJMLYTOD-UHFFFAOYSA-N 1 0 329.788 1.797 10 0 EDAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CSCCC(=O)N1 ZINC000075171365 202378187 /nfs/dbraw/zinc/37/81/87/202378187.db2.gz XBNKABOWHIGLHK-INIZCTEOSA-N 1 0 347.484 1.389 10 0 EDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC2(C)COC2)nn1 ZINC000185189591 138802110 /nfs/dbraw/zinc/80/21/10/138802110.db2.gz TWYYIEWBUSRAOM-CQSZACIVSA-N 1 0 335.452 1.165 10 0 EDAERO Cc1ccc(-c2cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)[nH]n2)cc1 ZINC000116791974 201076646 /nfs/dbraw/zinc/07/66/46/201076646.db2.gz LKYBAVHDINXATI-OAHLLOKOSA-N 1 0 328.416 1.788 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CCO1 ZINC000116792958 201076827 /nfs/dbraw/zinc/07/68/27/201076827.db2.gz MIDLSYHYTPNJKA-MRXNPFEDSA-N 1 0 348.834 1.928 10 0 EDAERO [NH3+][C@@H]1[C@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccc(Br)c(Cl)c1 ZINC000148896310 201389270 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O[C@@H]1C[NH2+]CC[C@H]1CNc1cc(C(F)(F)F)nc(N2CCCC2)n1 ZINC000072447285 203225432 /nfs/dbraw/zinc/22/54/32/203225432.db2.gz OBWOYBWKPFPSRA-WDEREUQCSA-N 1 0 345.369 1.478 10 0 EDAERO CCCc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)nc(C)n1 ZINC000072418429 203219307 /nfs/dbraw/zinc/21/93/07/203219307.db2.gz IYCNXJDKZREIRW-DOTOQJQBSA-N 1 0 345.491 1.774 10 0 EDAERO O[C@@H](COCc1ccccc1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000073508314 203268119 /nfs/dbraw/zinc/26/81/19/203268119.db2.gz PWIGVFRMPGNIDY-HXUWFJFHSA-N 1 0 341.455 1.777 10 0 EDAERO CNC(=O)CC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000074515579 203289953 /nfs/dbraw/zinc/28/99/53/203289953.db2.gz CRSSCCAQIFWRAJ-QGZVFWFLSA-N 1 0 331.460 1.534 10 0 EDAERO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000192490247 138945463 /nfs/dbraw/zinc/94/54/63/138945463.db2.gz LBGOPNRPLZYGDW-XQLPTFJDSA-N 1 0 337.464 1.700 10 0 EDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000193460229 138969835 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EDAERO C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1nnc2n1CCCC2 ZINC000177891172 299153269 /nfs/dbraw/zinc/15/32/69/299153269.db2.gz QPCFCZPIZSRFKL-AWEZNQCLSA-N 1 0 334.468 1.851 10 0 EDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000246452144 539624775 /nfs/dbraw/zinc/62/47/75/539624775.db2.gz ORYDKRMTPZIBLP-SMDDNHRTSA-N 1 0 331.420 1.137 10 0 EDAERO CC(C)[NH2+][C@@](C)(C[C@H](C)Sc1nnc(N(C)C)s1)C(N)=O ZINC000068643932 215324629 /nfs/dbraw/zinc/32/46/29/215324629.db2.gz ISZQOSLMTYDZHU-ZANVPECISA-N 1 0 331.511 1.717 10 0 EDAERO CC[N@H+](CC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1)C1CC1 ZINC000152630460 539824387 /nfs/dbraw/zinc/82/43/87/539824387.db2.gz UIOYMWQQWPLABZ-UHFFFAOYSA-N 1 0 347.507 1.767 10 0 EDAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)CC(C)C ZINC000155489981 539921281 /nfs/dbraw/zinc/92/12/81/539921281.db2.gz WWHWIEZNPRHSDU-HUUCEWRRSA-N 1 0 326.485 1.663 10 0 EDAERO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000156792858 539958493 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Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000083572838 138269295 /nfs/dbraw/zinc/26/92/95/138269295.db2.gz PCENNESSSNNDDQ-GFCCVEGCSA-N 1 0 332.412 1.001 10 0 EDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000083698055 138269402 /nfs/dbraw/zinc/26/94/02/138269402.db2.gz YYWHFAJVPBYMBM-HNNXBMFYSA-N 1 0 334.468 1.841 10 0 EDAERO CCC(C)(C)C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818584 138301838 /nfs/dbraw/zinc/30/18/38/138301838.db2.gz ORARTCGTQBDUEC-INIZCTEOSA-N 1 0 325.497 1.676 10 0 EDAERO Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)C2)no1 ZINC000092326263 138287996 /nfs/dbraw/zinc/28/79/96/138287996.db2.gz VRTBHKVWHKLJFW-KKUMJFAQSA-N 1 0 335.452 1.825 10 0 EDAERO C[C@H]1CCCCN1C(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915846 138302651 /nfs/dbraw/zinc/30/26/51/138302651.db2.gz DYCBKOJOBBFSPL-KRWDZBQOSA-N 1 0 347.507 1.680 10 0 EDAERO Cc1ncccc1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414867 138310049 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C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2Br)CCO1 ZINC000116798160 201076341 /nfs/dbraw/zinc/07/63/41/201076341.db2.gz IHSHKXHNGHTGPZ-LLVKDONJSA-N 1 0 327.222 1.852 10 0 EDAERO C[C@@H](Sc1nncn1C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000045643393 201104673 /nfs/dbraw/zinc/10/46/73/201104673.db2.gz FVTQYQAXUGTLHA-OCCSQVGLSA-N 1 0 333.461 1.715 10 0 EDAERO COCCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000158317148 201154865 /nfs/dbraw/zinc/15/48/65/201154865.db2.gz PWAWWWWVUBCIQE-UHFFFAOYSA-N 1 0 326.340 1.942 10 0 EDAERO [NH3+]Cc1cc(Cl)cc(S(=O)(=O)NCc2ccon2)c1Cl ZINC000149301518 201390330 /nfs/dbraw/zinc/39/03/30/201390330.db2.gz LRMSFFGFVCRIGU-UHFFFAOYSA-N 1 0 336.200 1.919 10 0 EDAERO O=c1ccnc2sc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)nn21 ZINC000132877773 223370916 /nfs/dbraw/zinc/37/09/16/223370916.db2.gz XIBZVSVXURRHNN-OLZOCXBDSA-N 1 0 349.460 1.331 10 0 EDAERO O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000253359112 296106401 /nfs/dbraw/zinc/10/64/01/296106401.db2.gz 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C[C@@H](NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1)c1cc2ccccc2o1 ZINC000107306062 204231863 /nfs/dbraw/zinc/23/18/63/204231863.db2.gz YZVLTTDLPHVPOO-IJEWVQPXSA-N 1 0 345.443 1.919 10 0 EDAERO COc1cc(Br)cc(C)c1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709439 204287969 /nfs/dbraw/zinc/28/79/69/204287969.db2.gz XIJLLQUXTHHXGF-NSHDSACASA-N 1 0 329.194 1.693 10 0 EDAERO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109119177 204277454 /nfs/dbraw/zinc/27/74/54/204277454.db2.gz ZBCOWPYGLXZBSC-LSDHHAIUSA-N 1 0 337.414 1.822 10 0 EDAERO Cc1ccc(CCC(=O)NCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195028081 139005155 /nfs/dbraw/zinc/00/51/55/139005155.db2.gz MZONADOAYAMSHJ-QGZVFWFLSA-N 1 0 329.444 1.350 10 0 EDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111891095 204377080 /nfs/dbraw/zinc/37/70/80/204377080.db2.gz CJOBDFDDUOGOFA-BZSNNMDCSA-N 1 0 331.460 1.936 10 0 EDAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)NCc3cccnc3)C2)n1 ZINC000111229195 204342740 /nfs/dbraw/zinc/34/27/40/204342740.db2.gz BAXYCPLLXIEUOB-KRWDZBQOSA-N 1 0 342.447 1.318 10 0 EDAERO Cc1noc(C)c1COc1ccc(CC(=O)N2CC[NH2+]CC2)cc1 ZINC000195103582 139007102 /nfs/dbraw/zinc/00/71/02/139007102.db2.gz BZVOQDYBRFVFRW-UHFFFAOYSA-N 1 0 329.400 1.845 10 0 EDAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000195283992 139012425 /nfs/dbraw/zinc/01/24/25/139012425.db2.gz NICJFKRQWMZUEF-MRXNPFEDSA-N 1 0 325.478 1.270 10 0 EDAERO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195292191 139012822 /nfs/dbraw/zinc/01/28/22/139012822.db2.gz LWVNVAXREFLBGN-IEBWSBKVSA-N 1 0 332.492 1.556 10 0 EDAERO CCc1csc([C@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)n1 ZINC000195404123 139015865 /nfs/dbraw/zinc/01/58/65/139015865.db2.gz BSVFEOSBPMDJJE-GOEBONIOSA-N 1 0 339.505 1.578 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2cnn(-c3ccccc3)c2)CCO1 ZINC000116784368 204539606 /nfs/dbraw/zinc/53/96/06/204539606.db2.gz VRQGWBOPQAGBAY-GOSISDBHSA-N 1 0 342.443 1.594 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCO1 ZINC000117034000 204554150 /nfs/dbraw/zinc/55/41/50/204554150.db2.gz LMQHRKBVEUKIDD-FUHWJXTLSA-N 1 0 346.475 1.485 10 0 EDAERO C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1[NH3+] ZINC000235651521 139026198 /nfs/dbraw/zinc/02/61/98/139026198.db2.gz WEHWLKTTWACBBX-KWQFWETISA-N 1 0 330.201 1.806 10 0 EDAERO CCC[C@@H]([NH3+])C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000236922014 139035374 /nfs/dbraw/zinc/03/53/74/139035374.db2.gz CBGFDYXTHZBCOO-OAHLLOKOSA-N 1 0 339.867 1.990 10 0 EDAERO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000236905039 139034720 /nfs/dbraw/zinc/03/47/20/139034720.db2.gz CFGQYXDPRUCVTL-OAHLLOKOSA-N 1 0 332.404 1.184 10 0 EDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000237008567 139037924 /nfs/dbraw/zinc/03/79/24/139037924.db2.gz JBVFHZZIJBSOPT-BXUZGUMPSA-N 1 0 328.434 1.422 10 0 EDAERO CCCn1c2ccccc2n(CCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1=O ZINC000237016235 139038179 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344.488 1.987 10 0 EDAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000245685626 276375535 /nfs/dbraw/zinc/37/55/35/276375535.db2.gz WEWSQBNATIKBIY-XYJFISCASA-N 1 0 347.434 1.946 10 0 EDAERO CCS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000175843076 276389681 /nfs/dbraw/zinc/38/96/81/276389681.db2.gz DGIPTCYNXAKYTB-QGZVFWFLSA-N 1 0 340.489 1.714 10 0 EDAERO CN1CCN([C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c2ccccc2)CC1 ZINC000261774502 276929677 /nfs/dbraw/zinc/92/96/77/276929677.db2.gz FVPIWJNZJWULQE-ROUUACIJSA-N 1 0 344.503 1.561 10 0 EDAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000179680627 277108189 /nfs/dbraw/zinc/10/81/89/277108189.db2.gz JIMIXXPPJAZWTN-WOPDTQHZSA-N 1 0 336.354 1.861 10 0 EDAERO CC(C)CC(=O)N[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)C(C)C ZINC000189407158 277344413 /nfs/dbraw/zinc/34/44/13/277344413.db2.gz XDTYDYQHGSUAOM-MRXNPFEDSA-N 1 0 327.469 1.012 10 0 EDAERO C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)N1CCc2ccccc2C1 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EDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000121659030 441753779 /nfs/dbraw/zinc/75/37/79/441753779.db2.gz YGENRYRTZINLIG-CYBMUJFWSA-N 1 0 333.436 1.385 10 0 EDAERO CC[C@H](O)C[NH+]1CCN([C@@H](CC)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000173458349 441758604 /nfs/dbraw/zinc/75/86/04/441758604.db2.gz QGKOTIJEGPVRSX-WMZOPIPTSA-N 1 0 349.475 1.801 10 0 EDAERO CC[NH+](CC)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115316000 441723878 /nfs/dbraw/zinc/72/38/78/441723878.db2.gz IZZGGLDMCAYLGG-NVXWUHKLSA-N 1 0 349.479 1.178 10 0 EDAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)NC(=O)Nc3ccccc3)C2)cn1 ZINC000116312677 441811711 /nfs/dbraw/zinc/81/17/11/441811711.db2.gz XGFHCJNEYAQHPZ-CQSZACIVSA-N 1 0 341.415 1.948 10 0 EDAERO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)C2=O)cc1 ZINC000173916050 441862378 /nfs/dbraw/zinc/86/23/78/441862378.db2.gz HYOUZXGZQOXDRO-SJORKVTESA-N 1 0 344.459 1.836 10 0 EDAERO Cc1ccccc1C1(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117043738 441863042 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O=C(NCCCOc1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173774174 441837909 /nfs/dbraw/zinc/83/79/09/441837909.db2.gz UQTBQJGTSQHARO-INIZCTEOSA-N 1 0 333.432 1.572 10 0 EDAERO COCCOc1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000122307998 441843431 /nfs/dbraw/zinc/84/34/31/441843431.db2.gz BRDQNFXAIWHVPB-SFHVURJKSA-N 1 0 331.416 1.809 10 0 EDAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CCO1 ZINC000116792220 441846846 /nfs/dbraw/zinc/84/68/46/441846846.db2.gz QYMJOOSHVKLDOE-HIFRSBDPSA-N 1 0 338.835 1.680 10 0 EDAERO CCCN(CC)c1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000116793109 441847934 /nfs/dbraw/zinc/84/79/34/441847934.db2.gz YBDDKLRRLJHJOG-MRXNPFEDSA-N 1 0 334.464 1.721 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)CCO1 ZINC000116795710 441848630 /nfs/dbraw/zinc/84/86/30/441848630.db2.gz WDSLLKXQCQYGRR-GFCCVEGCSA-N 1 0 330.787 1.647 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2N2CCCCC2)CCO1 ZINC000116797285 441849290 /nfs/dbraw/zinc/84/92/90/441849290.db2.gz 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C[NH+](C)[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@@H]1n1ccnn1 ZINC000862942445 596462562 /nfs/dbraw/zinc/46/25/62/596462562.db2.gz SYPJLIMTLFKJML-SJORKVTESA-N 1 0 325.416 1.394 10 0 EDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126821744 597567048 /nfs/dbraw/zinc/56/70/48/597567048.db2.gz CERWOANECWBIID-IHRRRGAJSA-N 1 0 346.493 1.847 10 0 EDAERO C[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)N1CCOCC1 ZINC000180042104 698556755 /nfs/dbraw/zinc/55/67/55/698556755.db2.gz KJFKNJINHWTTCV-BZUAXINKSA-N 1 0 341.496 1.942 10 0 EDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC(C)C)C(C)C ZINC000183659787 702281848 /nfs/dbraw/zinc/28/18/48/702281848.db2.gz GCUIWNBAWINEKQ-MRXNPFEDSA-N 1 0 348.447 1.124 10 0 EDAERO COc1cc(Cn2cc(C[NH3+])nn2)c(OC)cc1Br ZINC000050224896 214051052 /nfs/dbraw/zinc/05/10/52/214051052.db2.gz UXRYSAKZKHMUKQ-UHFFFAOYSA-N 1 0 327.182 1.565 10 0 EDAERO NNc1[nH+]cc(Br)cc1C(=O)N1CCCC[C@H]1CO ZINC000051120639 214079107 /nfs/dbraw/zinc/07/91/07/214079107.db2.gz OGFAQKSMWDAJJE-VIFPVBQESA-N 1 0 329.198 1.117 10 0 EDAERO C[NH+](C)C[C@@H]1CN([C@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 ZINC000246260441 282128360 /nfs/dbraw/zinc/12/83/60/282128360.db2.gz QRMFVQPPCOLVMT-DOMZBBRYSA-N 1 0 339.386 1.333 10 0 EDAERO [NH3+]C[C@]1(Cc2ccc(Br)cc2F)CCS(=O)(=O)C1 ZINC000054634853 214247426 /nfs/dbraw/zinc/24/74/26/214247426.db2.gz WAVQRMCAPWRYPE-GFCCVEGCSA-N 1 0 336.226 1.894 10 0 EDAERO [NH3+]C[C@]1(Cc2ccc(F)cc2Br)CCS(=O)(=O)C1 ZINC000054635008 214247604 /nfs/dbraw/zinc/24/76/04/214247604.db2.gz SBMDZFWRLFZAOT-GFCCVEGCSA-N 1 0 336.226 1.894 10 0 EDAERO O=C(c1cccc2c1OCC(=O)N2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174552991 231240226 /nfs/dbraw/zinc/24/02/26/231240226.db2.gz KVXWDQYORWPUCK-AWEZNQCLSA-N 1 0 343.427 1.966 10 0 EDAERO CC[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCOC[C@@H]1CO ZINC000167967131 529454054 /nfs/dbraw/zinc/45/40/54/529454054.db2.gz VMEZHRFJUVXAQU-GMXVVIOVSA-N 1 0 349.294 1.982 10 0 EDAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1c(Br)c(C)nn1CC ZINC000166793307 529454094 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1.261 10 0 EDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(CN3CCOCC3)c2)n1 ZINC000263318507 139335552 /nfs/dbraw/zinc/33/55/52/139335552.db2.gz ZVVQGLYHFJKQQO-INIZCTEOSA-N 1 0 343.431 1.145 10 0 EDAERO Cc1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000112712139 220383307 /nfs/dbraw/zinc/38/33/07/220383307.db2.gz MWZJKJQHWVUWRU-OAHLLOKOSA-N 1 0 347.459 1.485 10 0 EDAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccco1 ZINC000112746573 220395647 /nfs/dbraw/zinc/39/56/47/220395647.db2.gz FENCAYSDSOVBKV-KBPBESRZSA-N 1 0 346.435 1.568 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(F)c(Cl)c2)CCO1 ZINC000117042951 221027100 /nfs/dbraw/zinc/02/71/00/221027100.db2.gz XPLGONKFZCCREE-GFCCVEGCSA-N 1 0 329.803 1.951 10 0 EDAERO COCCN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC000117482891 221070585 /nfs/dbraw/zinc/07/05/85/221070585.db2.gz PXZYXVGXNSKOAE-OAHLLOKOSA-N 1 0 340.512 1.611 10 0 EDAERO CC[C@H]1CN(C(=O)NCc2cccnc2OC)CC[N@@H+]1CCOC ZINC000117476710 221068844 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C[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)c3ccccc23)C[N@@H+]1C1CC1 ZINC000333013306 141250212 /nfs/dbraw/zinc/25/02/12/141250212.db2.gz BPAJHODBKUZCNQ-QWHCGFSZSA-N 1 0 325.412 1.894 10 0 EDAERO CC(C)[C@@H]1N(C(=O)NCCN2CCOCC2(C)C)C[C@]12CCCO2 ZINC000333790721 141382448 /nfs/dbraw/zinc/38/24/48/141382448.db2.gz XNKKMZITUAFISS-MAUKXSAKSA-N 1 0 339.480 1.696 10 0 EDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccoc1C1(O)CCOCC1 ZINC000373939678 157074016 /nfs/dbraw/zinc/07/40/16/157074016.db2.gz RDBYBBJAGBWPGZ-KGLIPLIRSA-N 1 0 334.416 1.586 10 0 EDAERO O=C(NCc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049189443 287218406 /nfs/dbraw/zinc/21/84/06/287218406.db2.gz MUAVRHNNWXRTSI-OAHLLOKOSA-N 1 0 325.840 1.986 10 0 EDAERO CCc1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000049190094 287218567 /nfs/dbraw/zinc/21/85/67/287218567.db2.gz GTJBCPVPMHNRHC-ZDUSSCGKSA-N 1 0 325.478 1.957 10 0 EDAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1 ZINC000120705279 287363233 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[NH3+]C[C@H](Cc1cncc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000168558574 226218780 /nfs/dbraw/zinc/21/87/80/226218780.db2.gz SPVGAHVVASZWNN-QWRGUYRKSA-N 1 0 333.251 1.396 10 0 EDAERO [NH3+][C@@H](CCN1CCOC[C@@H]1CO)c1ccccc1Br ZINC000168961458 226228471 /nfs/dbraw/zinc/22/84/71/226228471.db2.gz DZSKMGFISUQXGG-FZMZJTMJSA-N 1 0 329.238 1.532 10 0 EDAERO COCC[N@H+](C)CCCC1CCN(Cc2nnnn2C(C)C)CC1 ZINC000122047829 222002550 /nfs/dbraw/zinc/00/25/50/222002550.db2.gz JZHHNBLXORIABH-UHFFFAOYSA-N 1 0 338.500 1.824 10 0 EDAERO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000122596622 222120986 /nfs/dbraw/zinc/12/09/86/222120986.db2.gz WAGWABJUFLZBFQ-KGLIPLIRSA-N 1 0 348.451 1.139 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cnc(N(CC)CC)s2)CC1 ZINC000123466477 222282658 /nfs/dbraw/zinc/28/26/58/222282658.db2.gz RKWAGVISHOQOCZ-CQSZACIVSA-N 1 0 326.510 1.878 10 0 EDAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000123473787 222283792 /nfs/dbraw/zinc/28/37/92/222283792.db2.gz 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1.962 10 0 EDAERO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262497303 139282489 /nfs/dbraw/zinc/28/24/89/139282489.db2.gz KEZFQQKLYQNQQI-WBVHZDCISA-N 1 0 342.443 1.479 10 0 EDAERO CC[NH2+][C@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000262500391 139282776 /nfs/dbraw/zinc/28/27/76/139282776.db2.gz YDDCRCHSVUREDU-ZBFHGGJFSA-N 1 0 343.427 1.735 10 0 EDAERO O=C(NCC[S@](=O)Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262510017 139283318 /nfs/dbraw/zinc/28/33/18/139283318.db2.gz CVGFLWCPEMKGIE-QPHKYOTMSA-N 1 0 334.485 1.972 10 0 EDAERO C[C@H](C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)C1C[NH2+]C1 ZINC000262535099 139284827 /nfs/dbraw/zinc/28/48/27/139284827.db2.gz MLRXYMMCSVNDBP-ZDUSSCGKSA-N 1 0 349.862 1.409 10 0 EDAERO O=C(NC[C@H]1CCCC[C@H]1O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000153333606 224089485 /nfs/dbraw/zinc/08/94/85/224089485.db2.gz GCEQEJNMOHZJIH-CRAIPNDOSA-N 1 0 346.475 1.896 10 0 EDAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H]3CCc4ncnn4C3)C2=O)c(C)c1 ZINC000190966445 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CCn1cc(C[N@@H+]2CCCN(c3ccc(C(=O)OC)nn3)CC2)cn1 ZINC000112695459 220376723 /nfs/dbraw/zinc/37/67/23/220376723.db2.gz LRJQSBAOHCNOED-UHFFFAOYSA-N 1 0 344.419 1.192 10 0 EDAERO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112746928 220395328 /nfs/dbraw/zinc/39/53/28/220395328.db2.gz PSTJZSVUGAYEDJ-INIZCTEOSA-N 1 0 342.447 1.544 10 0 EDAERO COc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CCC[NH+](C)C)C2)cc1 ZINC000170557330 533164883 /nfs/dbraw/zinc/16/48/83/533164883.db2.gz OAWFEBMSIUWIEJ-HOCLYGCPSA-N 1 0 347.459 1.673 10 0 EDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000176985451 285237666 /nfs/dbraw/zinc/23/76/66/285237666.db2.gz SWCUZCFJUQWPOZ-WWGRRREGSA-N 1 0 325.478 1.383 10 0 EDAERO CCc1nc2n(n1)C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)CC2 ZINC000114916562 220778151 /nfs/dbraw/zinc/77/81/51/220778151.db2.gz NJPKPPAWTNXNCT-HNNXBMFYSA-N 1 0 348.495 1.577 10 0 EDAERO COc1cc(Br)ccc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000570443854 306542545 /nfs/dbraw/zinc/54/25/45/306542545.db2.gz GCTYWPNMWKSRSF-WCQYABFASA-N 1 0 341.205 1.271 10 0 EDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Br)c2)CCO1 ZINC000116798324 220994779 /nfs/dbraw/zinc/99/47/79/220994779.db2.gz CJDYSFZXSZJWJH-CYBMUJFWSA-N 1 0 327.222 1.852 10 0 EDAERO Cc1cc(C)c(C)c(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000116900378 221009645 /nfs/dbraw/zinc/00/96/45/221009645.db2.gz RYRVOWSJCIWYGS-INIZCTEOSA-N 1 0 340.489 1.871 10 0 EDAERO CN(CCCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117037856 221027417 /nfs/dbraw/zinc/02/74/17/221027417.db2.gz BZKRKSCSMLQSNM-GOSISDBHSA-N 1 0 348.491 1.875 10 0 EDAERO COCCN1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117486158 221070118 /nfs/dbraw/zinc/07/01/18/221070118.db2.gz RXHNONBACKCJAD-IAGOWNOFSA-N 1 0 340.512 1.469 10 0 EDAERO COCCN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC000117482924 221070261 /nfs/dbraw/zinc/07/02/61/221070261.db2.gz LTYWBDNLLUZYPJ-IAGOWNOFSA-N 1 0 340.512 1.471 10 0 EDAERO C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000119609076 221358985 /nfs/dbraw/zinc/35/89/85/221358985.db2.gz HMPZFRQYSJCACE-HUUCEWRRSA-N 1 0 326.485 1.079 10 0 EDAERO CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000119763939 221395545 /nfs/dbraw/zinc/39/55/45/221395545.db2.gz WFXGLDCRTMUYGI-QZTJIDSGSA-N 1 0 331.460 1.486 10 0 EDAERO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155272300 224388649 /nfs/dbraw/zinc/38/86/49/224388649.db2.gz BGDCLKYDQOFQIP-IUODEOHRSA-N 1 0 325.840 1.929 10 0 EDAERO Cn1nnc2c1[C@@H](COCc1ccccc1)CN(C(=O)C[NH+](C)C)C2 ZINC000096198615 257693077 /nfs/dbraw/zinc/69/30/77/257693077.db2.gz RBYNRKHHBDFTOE-OAHLLOKOSA-N 1 0 343.431 1.019 10 0 EDAERO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1cccc(-n2ccnc2)c1 ZINC000189909702 533379293 /nfs/dbraw/zinc/37/92/93/533379293.db2.gz JQSAQCOTCMBHOE-CYBMUJFWSA-N 1 0 327.388 1.465 10 0 EDAERO Cc1cc2[nH]c(C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)cc2c(C)c1 ZINC000332991314 141248037 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EDAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)C1 ZINC000261878045 285868635 /nfs/dbraw/zinc/86/86/35/285868635.db2.gz MDZUHIPLMUDCQI-IIYDPXPESA-N 1 0 326.437 1.321 10 0 EDAERO CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)C12CCOCC2 ZINC000185828188 286266039 /nfs/dbraw/zinc/26/60/39/286266039.db2.gz ZGQOXOKCYIVMAL-FVQBIDKESA-N 1 0 339.480 1.743 10 0 EDAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1Cn1cccn1 ZINC000180492855 286355417 /nfs/dbraw/zinc/35/54/17/286355417.db2.gz QHNQDPAKDSSFJL-CRAIPNDOSA-N 1 0 344.459 1.921 10 0 EDAERO C[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 ZINC000237417578 286994466 /nfs/dbraw/zinc/99/44/66/286994466.db2.gz AYPLDFOOOPEQLA-QDCKZUPOSA-N 1 0 342.505 1.470 10 0 EDAERO COc1ccccc1CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049172949 287217503 /nfs/dbraw/zinc/21/75/03/287217503.db2.gz JOBGPTOMHMOWIR-INIZCTEOSA-N 1 0 335.448 1.384 10 0 EDAERO CC(=O)Nc1ccc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000049175513 287217617 /nfs/dbraw/zinc/21/76/17/287217617.db2.gz DSEHWZMSFIYBGT-QGZVFWFLSA-N 1 0 348.447 1.291 10 0 EDAERO c1cc2c(cccc2C[NH+]2CCN(c3ccc4nncn4n3)CC2)[nH]1 ZINC000120510018 287361930 /nfs/dbraw/zinc/36/19/30/287361930.db2.gz WISFINPDRPJRMH-UHFFFAOYSA-N 1 0 333.399 1.928 10 0 EDAERO COCCN(CCO)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000164229354 226055188 /nfs/dbraw/zinc/05/51/88/226055188.db2.gz VFRRERXCILQVGE-RISCZKNCSA-N 1 0 331.254 1.778 10 0 EDAERO Cn1ncc(Br)c1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000164282077 226061007 /nfs/dbraw/zinc/06/10/07/226061007.db2.gz BPWGRTZUMXPSFF-SECBINFHSA-N 1 0 326.116 1.907 10 0 EDAERO COCCNC(=O)COc1c(C)cc(Br)cc1CC[NH3+] ZINC000167060487 226178415 /nfs/dbraw/zinc/17/84/15/226178415.db2.gz CKSKWXCWPCYPTC-UHFFFAOYSA-N 1 0 345.237 1.400 10 0 EDAERO Cc1nn(C)c(Cl)c1CN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000166832525 226171272 /nfs/dbraw/zinc/17/12/72/226171272.db2.gz DNNPKFVTSXPJJP-UHFFFAOYSA-N 1 0 329.901 1.564 10 0 EDAERO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCCN(c2cccnn2)CC1 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C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000638834252 451705167 /nfs/dbraw/zinc/70/51/67/451705167.db2.gz DJSHKASUKCWQSG-FVQBIDKESA-N 1 0 337.414 1.868 10 0 EDAERO O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H]1n1cccn1 ZINC000657514662 452296980 /nfs/dbraw/zinc/29/69/80/452296980.db2.gz KHIKXSLQHGACCA-GZBFAFLISA-N 1 0 335.791 1.772 10 0 EDAERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1c1c[nH]nn1 ZINC000668577033 485912674 /nfs/dbraw/zinc/91/26/74/485912674.db2.gz PBJHCGBHVROPEG-DOTOQJQBSA-N 1 0 338.415 1.820 10 0 EDAERO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Br)c(N)c1 ZINC000168555900 533734493 /nfs/dbraw/zinc/73/44/93/533734493.db2.gz KIHGTIWLGNIMAD-QMMMGPOBSA-N 1 0 336.255 1.260 10 0 EDAERO C[C@H](CC[NH3+])[S@@](=O)CC(=O)Nc1cccc(Br)c1 ZINC000166918194 533902472 /nfs/dbraw/zinc/90/24/72/533902472.db2.gz ZKKKALPIJQDKII-DYBLOJMWSA-N 1 0 333.251 1.874 10 0 EDAERO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000183588435 534272654 /nfs/dbraw/zinc/27/26/54/534272654.db2.gz LIPTVPLFZQMDEX-CQSZACIVSA-N 1 0 344.415 1.985 10 0 EDAERO O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178258040 534460833 /nfs/dbraw/zinc/46/08/33/534460833.db2.gz SMEANMZBXSZHOX-MRXNPFEDSA-N 1 0 339.399 1.117 10 0 EDAERO [NH3+]CC1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CCC1 ZINC000166850366 534586157 /nfs/dbraw/zinc/58/61/57/534586157.db2.gz ZKROKLGMKLSTGU-UHFFFAOYSA-N 1 0 339.193 1.686 10 0 EDAERO O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171716470 534744069 /nfs/dbraw/zinc/74/40/69/534744069.db2.gz BUCOELBFUHUGHB-ZWKOTPCHSA-N 1 0 341.455 1.845 10 0 EDAERO O=C1N[C@@]2(CC[NH2+]C2)C(=O)N1Cc1ccc(Br)cc1F ZINC000167858953 534794481 /nfs/dbraw/zinc/79/44/81/534794481.db2.gz QHGQWUGKLNZZHA-CYBMUJFWSA-N 1 0 342.168 1.372 10 0 EDAERO O=C1C(=O)N(Cc2ccccc2F)c2cccc(N3CC[NH2+]CC3)c21 ZINC000034886595 526955559 /nfs/dbraw/zinc/95/55/59/526955559.db2.gz USKKVFYQTAOTKH-UHFFFAOYSA-N 1 0 339.370 1.965 10 0 EDAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1cncc(Br)c1 ZINC000166205555 527807144 /nfs/dbraw/zinc/80/71/44/527807144.db2.gz HWPLAEKEWGCSKW-LBPRGKRZSA-N 1 0 330.226 1.600 10 0 EDAERO CC[NH2+][C@@H](Cc1ccc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000167986968 528391223 /nfs/dbraw/zinc/39/12/23/528391223.db2.gz MKCJPBFGCLKJPP-MFKMUULPSA-N 1 0 347.278 1.799 10 0 EDAERO CCOCCN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1CC ZINC000168080839 528743185 /nfs/dbraw/zinc/74/31/85/528743185.db2.gz MILKMFDIWDIWLI-MHORFTMASA-N 1 0 337.508 1.866 10 0 EDAERO CCC[C@@H](C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)[NH+](C)C ZINC000181459603 528848002 /nfs/dbraw/zinc/84/80/02/528848002.db2.gz DBTLLKIKBVRTOE-FZMZJTMJSA-N 1 0 339.386 1.917 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2SCC(N)=O)C1 ZINC000158832968 529089079 /nfs/dbraw/zinc/08/90/79/529089079.db2.gz KVQIYODGGJWDMW-OCCSQVGLSA-N 1 0 335.473 1.723 10 0 EDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000173886576 529090859 /nfs/dbraw/zinc/09/08/59/529090859.db2.gz AGARPBQCYGLGJI-PBHICJAKSA-N 1 0 348.472 1.879 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(SC)cc2)CC1 ZINC000173454645 529228609 /nfs/dbraw/zinc/22/86/09/529228609.db2.gz OSPWHVXWKMHHBN-OAHLLOKOSA-N 1 0 337.489 1.736 10 0 EDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000174087216 529229038 /nfs/dbraw/zinc/22/90/38/529229038.db2.gz YFSXRYPOQWAMLX-JKSUJKDBSA-N 1 0 349.475 1.261 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000176530644 529303357 /nfs/dbraw/zinc/30/33/57/529303357.db2.gz UGJSZRRRYRFAEC-JKSUJKDBSA-N 1 0 345.443 1.640 10 0 EDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OC)cc1 ZINC000174974285 529303473 /nfs/dbraw/zinc/30/34/73/529303473.db2.gz KBEDJOIOQIKCRW-LSDHHAIUSA-N 1 0 331.416 1.719 10 0 EDAERO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1=O ZINC000195515957 534980384 /nfs/dbraw/zinc/98/03/84/534980384.db2.gz BLIIHPABQSGDPK-ZDUSSCGKSA-N 1 0 331.420 1.146 10 0 EDAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2COc3ccccc32)C1 ZINC000250220025 535123118 /nfs/dbraw/zinc/12/31/18/535123118.db2.gz YXPHACZQXXLFGY-ZBFHGGJFSA-N 1 0 333.432 1.776 10 0 EDAERO CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCOCC1 ZINC000246473024 535189086 /nfs/dbraw/zinc/18/90/86/535189086.db2.gz QTVHTJSNDAPFBB-DLBZAZTESA-N 1 0 338.496 1.223 10 0 EDAERO CCC[N@@H+](CC(=O)NC)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000079484908 535278637 /nfs/dbraw/zinc/27/86/37/535278637.db2.gz YLKOZXVIIXDEDU-OAHLLOKOSA-N 1 0 328.840 1.676 10 0 EDAERO CC1(C)CN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000261904603 535352504 /nfs/dbraw/zinc/35/25/04/535352504.db2.gz WWWGEJOSYQWTCT-AEFFLSMTSA-N 1 0 344.503 1.688 10 0 EDAERO CC1(C)CN(CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@H]1[NH3+] ZINC000261703226 535354062 /nfs/dbraw/zinc/35/40/62/535354062.db2.gz IHHDZRIXDOSGEK-MRXNPFEDSA-N 1 0 344.459 1.811 10 0 EDAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000133040251 535583240 /nfs/dbraw/zinc/58/32/40/535583240.db2.gz DMIBEFQTEAFSIF-ZFWWWQNUSA-N 1 0 325.478 1.730 10 0 EDAERO CCOC(=O)C[C@H](C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000245807162 535723111 /nfs/dbraw/zinc/72/31/11/535723111.db2.gz BPQLVMWGTAMYCW-KKUMJFAQSA-N 1 0 325.453 1.844 10 0 EDAERO CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1nc(C)cs1 ZINC000262283843 535854868 /nfs/dbraw/zinc/85/48/68/535854868.db2.gz OBXAQVFKESFBKJ-RDBSUJKOSA-N 1 0 333.461 1.756 10 0 EDAERO COCCN1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247182601 536868622 /nfs/dbraw/zinc/86/86/22/536868622.db2.gz RWFYZBOMTBPTGM-IKGGRYGDSA-N 1 0 340.512 1.469 10 0 EDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000888078983 590935460 /nfs/dbraw/zinc/93/54/60/590935460.db2.gz RLYHLKWZSKJLAZ-OAGGEKHMSA-N 1 0 332.448 1.519 10 0 EDAERO C[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)CCc3c[nH]cn3)C2)ccn1 ZINC000888103201 591031393 /nfs/dbraw/zinc/03/13/93/591031393.db2.gz ONRYYKPFQZGZIG-KRWDZBQOSA-N 1 0 343.431 1.479 10 0 EDAERO C[N@@H+]1CC[C@H]2OCCN(CC3CC(NC(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC000894327552 591280171 /nfs/dbraw/zinc/28/01/71/591280171.db2.gz AJSAKRITWDGVAN-SSHXOBKSSA-N 1 0 339.480 1.695 10 0 EDAERO