smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@@H](C)C[N@H+]1C ZINC000255260714 291392662 /nfs/dbraw/zinc/39/26/62/291392662.db2.gz QFHXSIDXKCKLAC-PPCQHUCNSA-N 1 1 429.689 5.264 1 0 IKAFMO C[C@@H]([C@@H]1CC[C@H]2[C@H](C[C@@H]3[C@H]2CC(=O)[C@@H]2C[C@@H](O)CC[C@]32C)[C@H]1C)[C@H]1CC[C@H](C)C[N@H+]1C ZINC000070454192 560048460 /nfs/dbraw/zinc/04/84/60/560048460.db2.gz UBMXONPUBFQLKA-GXMPBRITSA-N 1 1 429.689 5.408 1 0 biogenic,in-vitro IKAFMO O=C(NCCCC[N@H+]1CCN2c3ccccc3CC[C@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000001554009 562922929 /nfs/dbraw/zinc/92/29/29/562922929.db2.gz VPTSFCYJNNWWFV-MHZLTWQESA-N 1 1 439.603 5.001 1 0 IKAFMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000004118702 562942162 /nfs/dbraw/zinc/94/21/62/562942162.db2.gz AAFWGXZKDLGSEQ-UHFFFAOYSA-N 1 1 425.548 5.008 3 0 IKAFMO O=C(Oc1ccccc1)N1CCC[C@@]2(CC[N@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000004238008 562942752 /nfs/dbraw/zinc/94/27/52/562942752.db2.gz XFKNUZBFUHHDQU-NDEPHWFRSA-N 1 1 426.560 5.763 1 0 IKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)CC(C)C)c2NC(C)(C)CC(C)(C)C ZINC000004382637 562943164 /nfs/dbraw/zinc/94/31/64/562943164.db2.gz DDZSEQCOKKELBE-UHFFFAOYSA-N 1 1 435.612 6.888 1 0 IKAFMO FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005596651 562944354 /nfs/dbraw/zinc/94/43/54/562944354.db2.gz WKYZJMVWIWKDNY-UTKZUKDTSA-N 1 1 447.932 6.640 1 0 IKAFMO Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000005596655 562944363 /nfs/dbraw/zinc/94/43/63/562944363.db2.gz OUSCXVGRSXJTRW-UTKZUKDTSA-N 1 1 429.486 5.692 1 0 IKAFMO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](CO)[N@@H+](C)CC/C=C(\C)CCC=C(C)C ZINC000005854010 562945275 /nfs/dbraw/zinc/94/52/75/562945275.db2.gz AASSGPJLRRBDET-GUZCVRBVSA-N 1 1 429.733 8.171 1 0 IKAFMO CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008017219 562948841 /nfs/dbraw/zinc/94/88/41/562948841.db2.gz NVWOKJJKHBGSCM-JOCHJYFZSA-N 1 1 444.558 5.037 1 0 IKAFMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000008599654 562954773 /nfs/dbraw/zinc/95/47/73/562954773.db2.gz PBUWPLYVSGCGAR-INIZCTEOSA-N 1 1 430.017 5.796 1 0 IKAFMO Clc1ccc([C@H](OCCC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)cc1 ZINC000013487744 562989555 /nfs/dbraw/zinc/98/95/55/562989555.db2.gz DSXUYALCKWYNBT-FLRZPVQKSA-N 1 1 446.034 7.279 1 0 IKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1 ZINC000013491632 562990463 /nfs/dbraw/zinc/99/04/63/562990463.db2.gz YJYMXCFUNVLJOC-UHFFFAOYSA-N 1 1 446.378 5.072 1 0 IKAFMO CC(C)(CCCCCOCCc1ccccc1)[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21 ZINC000013524214 562991492 /nfs/dbraw/zinc/99/14/92/562991492.db2.gz SAGQYGYKRVWICY-UHFFFAOYSA-N 1 1 442.625 5.026 1 0 IKAFMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc12 ZINC000013553508 562992908 /nfs/dbraw/zinc/99/29/08/562992908.db2.gz UCQRQIRYLSULHB-HSZRJFAPSA-N 1 1 448.998 5.779 1 0 IKAFMO Cc1cc2c(cccc2OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cc4ccc(C)cc4s3)C[C@@H]2C)[nH]1 ZINC000013587192 562995570 /nfs/dbraw/zinc/99/55/70/562995570.db2.gz WRENRCOEWVZIAB-NNWRFLSQSA-N 1 1 448.632 6.007 1 0 IKAFMO CCC[N@H+](Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587339 562995633 /nfs/dbraw/zinc/99/56/33/562995633.db2.gz LJDBHBOGOHCXJR-UHFFFAOYSA-N 1 1 431.955 6.798 1 0 IKAFMO C[N@@H+](Cc1ccccc1C(=O)NCC/C=C/c1ccccc1)[C@@H]1CCc2cc(O)ccc2C1 ZINC000013589137 562996155 /nfs/dbraw/zinc/99/61/55/562996155.db2.gz IRORFLRVJUVJIZ-UWAOBNACSA-N 1 1 440.587 5.215 1 0 IKAFMO C[C@H]1c2cc(O)ccc2CC[N@@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589144 562996315 /nfs/dbraw/zinc/99/63/15/562996315.db2.gz RRGITTGLGFGTJZ-AKERNLMBSA-N 1 1 426.560 5.345 1 0 IKAFMO C[N@@H+](Cc1ccc(COC(=O)[C@](O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1 ZINC000013602056 562996888 /nfs/dbraw/zinc/99/68/88/562996888.db2.gz SUMSQYYVIYCYJK-MHZLTWQESA-N 1 1 439.596 5.555 1 0 IKAFMO O=C(Nc1cccc(F)c1)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613268 562998096 /nfs/dbraw/zinc/99/80/96/562998096.db2.gz VQULRVZLPVJKAU-STWLZBDKSA-N 1 1 441.566 5.600 1 0 IKAFMO Cc1csc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000013613343 562998198 /nfs/dbraw/zinc/99/81/98/562998198.db2.gz YPYNMPIDPXJKTD-JAXLGGSGSA-N 1 1 444.620 5.226 1 0 IKAFMO CCC[N@@H+]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013661674 562999817 /nfs/dbraw/zinc/99/98/17/562999817.db2.gz OZCKZSBDMAXLIS-OAQYLSRUSA-N 1 1 447.442 5.227 3 0 IKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)C(c1ccccc1Cl)c1ccccc1Cl ZINC000013733974 563002191 /nfs/dbraw/zinc/00/21/91/563002191.db2.gz DJENNRQWYMVEOW-HDICACEKSA-N 1 1 433.423 5.895 1 0 IKAFMO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000013737286 563002477 /nfs/dbraw/zinc/00/24/77/563002477.db2.gz RLKGOOILEBUPFL-RUZDIDTESA-N 1 1 430.596 5.981 1 0 IKAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@H+]5CCSC(C)(C)C5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000013762188 563005404 /nfs/dbraw/zinc/00/54/04/563005404.db2.gz WCDARDNDINEQIF-SGCSXEKPSA-N 1 1 447.729 5.401 1 0 IKAFMO CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000013779663 563006244 /nfs/dbraw/zinc/00/62/44/563006244.db2.gz OMZXMEGRZKDGGH-UHFFFAOYSA-N 1 1 447.554 5.187 1 0 IKAFMO C[C@@H]([NH2+]C1CCN(CCCc2c[nH]c3ccc(-n4ccnc4)cc23)CC1)c1ccccc1 ZINC000013802571 563007983 /nfs/dbraw/zinc/00/79/83/563007983.db2.gz MIEAXBUEPZRDHB-OAQYLSRUSA-N 1 1 427.596 5.101 1 0 IKAFMO Fc1ccc(CCN2CCC[C@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803922 563008215 /nfs/dbraw/zinc/00/82/15/563008215.db2.gz WPCCYICQOQQNOQ-RUZDIDTESA-N 1 1 446.610 5.476 1 0 IKAFMO O=S(=O)(c1ccccc1)N(CCC[N@@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000013823454 563010295 /nfs/dbraw/zinc/01/02/95/563010295.db2.gz QWVPSLXKIGGBPP-UHFFFAOYSA-N 1 1 432.589 5.061 1 0 IKAFMO COc1c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(Br)c2ccccc21 ZINC000013862882 563013196 /nfs/dbraw/zinc/01/31/96/563013196.db2.gz JVVXYJOBIBKLSD-QGZVFWFLSA-N 1 1 445.401 5.138 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(Cl)cc(Cl)c4)c3)cc12 ZINC000014961676 563016176 /nfs/dbraw/zinc/01/61/76/563016176.db2.gz DALRTELPWRMRAK-IBGZPJMESA-N 1 1 427.335 5.189 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Cl)c4Cl)c3)cc12 ZINC000014961667 563016192 /nfs/dbraw/zinc/01/61/92/563016192.db2.gz OBPHJKTZMXJJJE-KRWDZBQOSA-N 1 1 427.335 5.189 1 0 IKAFMO Nc1[nH]c2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)ccc2[nH+]1 ZINC000014965584 563016415 /nfs/dbraw/zinc/01/64/15/563016415.db2.gz GKOMRRDSXJXWIK-UHFFFAOYSA-N 1 1 445.376 5.739 1 0 IKAFMO Cc1ccc(CN(CC[NH+]2CCN(CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925676 563025950 /nfs/dbraw/zinc/02/59/50/563025950.db2.gz UKQOAOAUEQYBDV-UHFFFAOYSA-N 1 1 427.636 5.252 1 0 IKAFMO c1ccc(C(OCC[NH+]2CCN(Cc3cnc4ccccc4c3)CC2)c2ccccc2)cc1 ZINC000022938649 563026564 /nfs/dbraw/zinc/02/65/64/563026564.db2.gz WOASQHJMSWRIGZ-UHFFFAOYSA-N 1 1 437.587 5.159 1 0 IKAFMO c1c2ccccc2oc1C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938622 563026578 /nfs/dbraw/zinc/02/65/78/563026578.db2.gz QRIUZGTYJLIFNE-UHFFFAOYSA-N 1 1 426.560 5.357 1 0 IKAFMO c1c2ccccc2oc1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938622 563026579 /nfs/dbraw/zinc/02/65/79/563026579.db2.gz QRIUZGTYJLIFNE-UHFFFAOYSA-N 1 1 426.560 5.357 1 0 IKAFMO O[C@@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1 ZINC000026179026 563029551 /nfs/dbraw/zinc/02/95/51/563029551.db2.gz VCHSYIPRDSWSPA-OIKPOIBNSA-N 1 1 434.530 5.788 1 0 IKAFMO CNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000026185540 563029703 /nfs/dbraw/zinc/02/97/03/563029703.db2.gz CSWHEDUISARBAD-HNRBIFIRSA-N 1 1 436.599 5.718 1 0 IKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000026183024 563029749 /nfs/dbraw/zinc/02/97/49/563029749.db2.gz VGTHXWPAVSKNJJ-ZWKOTPCHSA-N 1 1 432.749 5.355 1 0 IKAFMO CCNC(=O)c1ccc(C(c2cccc(O)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)cc1 ZINC000026186065 563029781 /nfs/dbraw/zinc/02/97/81/563029781.db2.gz MNBGPJROYSJPEG-PLQXJYEYSA-N 1 1 430.592 5.537 1 0 IKAFMO COc1ccc(/C=C/CC[N@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026186704 563029874 /nfs/dbraw/zinc/02/98/74/563029874.db2.gz FUEFSRJCHZYCGE-DHVBHTJXSA-N 1 1 446.541 6.387 1 0 IKAFMO Clc1ccc2c(c1)nccc2N[C@H]1CCCC[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000026252428 563030040 /nfs/dbraw/zinc/03/00/40/563030040.db2.gz LISWOCWHIAZFSB-VXKWHMMOSA-N 1 1 437.374 6.925 1 0 IKAFMO CC(=O)NCCCCCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026254390 563030181 /nfs/dbraw/zinc/03/01/81/563030181.db2.gz YPOQGLRHFMTALJ-AOYPEHQESA-N 1 1 441.566 5.361 1 0 IKAFMO [NH2+]=C(Nc1ccccc1I)Nc1ccccc1C=Cc1ccccc1 ZINC000026478676 563032218 /nfs/dbraw/zinc/03/22/18/563032218.db2.gz UWASDHOKGCWWPG-CCEZHUSRSA-N 1 1 439.300 5.920 1 0 IKAFMO C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)[NH+]1CCCc1ccccc1 ZINC000026577734 563033954 /nfs/dbraw/zinc/03/39/54/563033954.db2.gz CJLMHMFDXCFFRR-JWQCQUIFSA-N 1 1 439.647 6.212 1 0 IKAFMO Cc1cc2c(cccc2OC[C@H](O)C[N@@H+]2CC[C@@H](c3cccc4sccc43)C[C@@H]2C)[nH]1 ZINC000026579223 563034115 /nfs/dbraw/zinc/03/41/15/563034115.db2.gz BOTRUCAWYZGOIG-XUVXKRRUSA-N 1 1 434.605 5.699 1 0 IKAFMO Cc1cc2c(cccc2OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccc4sccc4c3)C[C@@H]2C)[nH]1 ZINC000026579687 563034208 /nfs/dbraw/zinc/03/42/08/563034208.db2.gz CYRDVRSSLKLLEE-CZTZKLFOSA-N 1 1 434.605 5.699 1 0 IKAFMO CN(CC[N@@H+](C)CCCC(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000026749252 563036515 /nfs/dbraw/zinc/03/65/15/563036515.db2.gz GUEOGABVYDIVQU-UHFFFAOYSA-N 1 1 440.553 6.080 1 0 IKAFMO CC(C(=O)O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)(c1ccccc1)c1ccccc1 ZINC000026943600 563037961 /nfs/dbraw/zinc/03/79/61/563037961.db2.gz GZXQKCMKEJCSMK-NPAAKHOSSA-N 1 1 425.572 5.589 1 0 IKAFMO CC[N@@H+]1[C@H](c2ccc(-c3cc(S(=O)(=O)CC)ccc3OC)[nH]2)CC[C@H]1c1ccccc1 ZINC000026991312 563038803 /nfs/dbraw/zinc/03/88/03/563038803.db2.gz OVLGSRKGTAEWQF-ZEQRLZLVSA-N 1 1 438.593 5.382 1 0 IKAFMO CC[N@H+]1[C@H](c2ccc(-c3cc(S(=O)(=O)CC)ccc3OC)[nH]2)CC[C@H]1c1ccccc1 ZINC000026991312 563038805 /nfs/dbraw/zinc/03/88/05/563038805.db2.gz OVLGSRKGTAEWQF-ZEQRLZLVSA-N 1 1 438.593 5.382 1 0 IKAFMO C[C@@H](NC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995542 563038858 /nfs/dbraw/zinc/03/88/58/563038858.db2.gz ZRWAMFWDHTXJIW-RLWLMLJZSA-N 1 1 429.007 6.545 1 0 IKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N@H+]2C ZINC000027214046 563041028 /nfs/dbraw/zinc/04/10/28/563041028.db2.gz XTEKMJCKVNQZRJ-JSXRDJHFSA-N 1 1 434.363 5.124 1 0 IKAFMO Clc1ccc2c(c1)nccc2NCCOCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027435821 563042336 /nfs/dbraw/zinc/04/23/36/563042336.db2.gz QFHWVQIBNPURLV-UHFFFAOYSA-N 1 1 427.335 5.630 1 0 IKAFMO O[C@@H](CC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027722093 563045840 /nfs/dbraw/zinc/04/58/40/563045840.db2.gz XZLWEAUXXFHNAP-SANMLTNESA-N 1 1 436.477 5.530 1 0 IKAFMO O[C@@H](CC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027722093 563045841 /nfs/dbraw/zinc/04/58/41/563045841.db2.gz XZLWEAUXXFHNAP-SANMLTNESA-N 1 1 436.477 5.530 1 0 IKAFMO O=C1CC2(CCCC2)CC(=O)N1CCCC[N@@H+]1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1 ZINC000027721143 563045897 /nfs/dbraw/zinc/04/58/97/563045897.db2.gz IVXZXHVIIMPLMA-FQEVSTJZSA-N 1 1 443.031 5.108 1 0 IKAFMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027732446 563046203 /nfs/dbraw/zinc/04/62/03/563046203.db2.gz TVVIIUQNFRQZBO-MHZLTWQESA-N 1 1 432.514 5.781 1 0 IKAFMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027732446 563046205 /nfs/dbraw/zinc/04/62/05/563046205.db2.gz TVVIIUQNFRQZBO-MHZLTWQESA-N 1 1 432.514 5.781 1 0 IKAFMO CCC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCC[N@@H+](C)C1CCCCC1 ZINC000028006411 563049475 /nfs/dbraw/zinc/04/94/75/563049475.db2.gz BRBURWHFGAZKCR-AREMUKBSSA-N 1 1 438.637 6.268 1 0 IKAFMO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000028237645 563052017 /nfs/dbraw/zinc/05/20/17/563052017.db2.gz SKMONACLVOEHQQ-XMMPIXPASA-N 1 1 438.593 5.211 1 0 IKAFMO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@H+]3CCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000028237645 563052018 /nfs/dbraw/zinc/05/20/18/563052018.db2.gz SKMONACLVOEHQQ-XMMPIXPASA-N 1 1 438.593 5.211 1 0 IKAFMO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000028237651 563052020 /nfs/dbraw/zinc/05/20/20/563052020.db2.gz SKMONACLVOEHQQ-DEOSSOPVSA-N 1 1 438.593 5.211 1 0 IKAFMO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@H+]3CCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000028237651 563052021 /nfs/dbraw/zinc/05/20/21/563052021.db2.gz SKMONACLVOEHQQ-DEOSSOPVSA-N 1 1 438.593 5.211 1 0 IKAFMO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[NH+]1CCCC1 ZINC000028331147 563052421 /nfs/dbraw/zinc/05/24/21/563052421.db2.gz LLALAUQQWPEQEQ-UHFFFAOYSA-N 1 1 430.710 6.462 1 0 IKAFMO CCNC(=O)c1ccc(C(C2=CN(O)C=CC2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028390235 563054392 /nfs/dbraw/zinc/05/43/92/563054392.db2.gz TWDRRHBIWWRVDM-PLQXJYEYSA-N 1 1 445.563 5.102 1 0 IKAFMO CCC[N@H+](Cc1c(C)nc2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028462005 563055191 /nfs/dbraw/zinc/05/51/91/563055191.db2.gz ZWETYKGFUQLXAP-UHFFFAOYSA-N 1 1 432.587 6.273 1 0 IKAFMO Cc1ccc(OCc2ccccc2)c([C@H](CC[N@@H+]2C[C@]3(C)C[C@]3(C)C2)c2ccccc2)c1 ZINC000028477395 563055863 /nfs/dbraw/zinc/05/58/63/563055863.db2.gz LYPDKARLUOPFRO-XUEBXJBISA-N 1 1 425.616 6.828 1 0 IKAFMO Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@@H+](C)CC2 ZINC000028704219 563061775 /nfs/dbraw/zinc/06/17/75/563061775.db2.gz YRLIAFPIEWQNDG-UHFFFAOYSA-N 1 1 440.996 5.147 1 0 IKAFMO c1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccnc(-c4ccccc4)c3)ccn2)cc1 ZINC000028707584 563062169 /nfs/dbraw/zinc/06/21/69/563062169.db2.gz JZTXTFWNWXKNQN-HNRBIFIRSA-N 1 1 446.598 5.659 1 0 IKAFMO COc1cc2cc(-c3ccc(C[N@@H+](C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC ZINC000028710690 563062572 /nfs/dbraw/zinc/06/25/72/563062572.db2.gz RNNHOLLWKOWGSG-UHFFFAOYSA-N 1 1 429.516 5.418 1 0 IKAFMO COc1cccc(C[N@@H+](C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)c1 ZINC000028710693 563062638 /nfs/dbraw/zinc/06/26/38/563062638.db2.gz UIALHYCUMNMDDP-UHFFFAOYSA-N 1 1 445.515 5.118 1 0 IKAFMO COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc2cc(-c3ccccc3)oc21 ZINC000028878114 563067759 /nfs/dbraw/zinc/06/77/59/563067759.db2.gz CFGJMINARVBJLW-UHFFFAOYSA-N 1 1 429.516 5.684 1 0 IKAFMO COc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc2cc(-c3ccccc3)oc21 ZINC000028878114 563067761 /nfs/dbraw/zinc/06/77/61/563067761.db2.gz CFGJMINARVBJLW-UHFFFAOYSA-N 1 1 429.516 5.684 1 0 IKAFMO COc1ccc([C@H]2CN(C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1Cl ZINC000028893026 563068589 /nfs/dbraw/zinc/06/85/89/563068589.db2.gz WWSHLNJFRHBFML-HSZRJFAPSA-N 1 1 446.994 5.129 1 0 IKAFMO COc1ccc([C@@H]2CN(C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1Cl ZINC000028893018 563068609 /nfs/dbraw/zinc/06/86/09/563068609.db2.gz WWSHLNJFRHBFML-QHCPKHFHSA-N 1 1 446.994 5.129 1 0 IKAFMO CC[NH+](CC)Cc1cccc2nc(-c3[nH]nc4ncc(-c5cncc6ccccc65)cc43)[nH]c21 ZINC000028950072 563069494 /nfs/dbraw/zinc/06/94/94/563069494.db2.gz HAIHTRCFSLFERU-UHFFFAOYSA-N 1 1 447.546 5.558 1 0 IKAFMO C[N@H+]1CCC[C@@H]1CCNc1nc(Nc2cccc(Br)c2)nc2ccccc21 ZINC000029206209 563076387 /nfs/dbraw/zinc/07/63/87/563076387.db2.gz CWTUZRJXNXDDQG-QGZVFWFLSA-N 1 1 426.362 5.032 1 0 IKAFMO CCC[N@H+](c1ccncc1F)n1cc(C)c2cc(OC(=O)NCc3ccccc3)ccc21 ZINC000029390289 563078876 /nfs/dbraw/zinc/07/88/76/563078876.db2.gz NSXZYACTNFGWSM-UHFFFAOYSA-N 1 1 432.499 5.452 1 0 IKAFMO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CC[N@H+]2CCc1ccccc1 ZINC000029393933 563079078 /nfs/dbraw/zinc/07/90/78/563079078.db2.gz PXJBWCRIQUEDIZ-PLVCOEKASA-N 1 1 441.640 6.386 1 0 IKAFMO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CC[N@H+]2CCc1cccs1 ZINC000029403780 563079304 /nfs/dbraw/zinc/07/93/04/563079304.db2.gz NQKWKNOJILTFJL-DNKZPPIMSA-N 1 1 447.669 6.448 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2cccc(Cl)c2)c1 ZINC000029411452 563079811 /nfs/dbraw/zinc/07/98/11/563079811.db2.gz URFNYEBRYIPPSY-KPGYKUMBSA-N 1 1 440.071 7.350 1 0 IKAFMO Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CC[N@H+](CCCc1ccccc1)C2 ZINC000029570863 563083029 /nfs/dbraw/zinc/08/30/29/563083029.db2.gz XSWIIAHQEAQTIA-UHFFFAOYSA-N 1 1 444.522 5.571 1 0 IKAFMO CC[N@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000031840906 563083486 /nfs/dbraw/zinc/08/34/86/563083486.db2.gz OJDYOYOACQNEAI-JLTOFOAXSA-N 1 1 447.189 5.713 1 0 IKAFMO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@H+](CCc3ccccc3)[C@H]12 ZINC000032223229 563084186 /nfs/dbraw/zinc/08/41/86/563084186.db2.gz CNVUUIARARNSRA-BDYUSTAISA-N 1 1 427.548 5.280 1 0 IKAFMO Cc1cc2c(cccc2OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc4scc(C)c4c3)C[C@@H]2C)[nH]1 ZINC000033999211 563085219 /nfs/dbraw/zinc/08/52/19/563085219.db2.gz QNRJDGABFBSZCM-NNWRFLSQSA-N 1 1 448.632 6.007 1 0 IKAFMO C[N@H+]1CCC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000034631071 563086595 /nfs/dbraw/zinc/08/65/95/563086595.db2.gz WOJBHNJZTIILBM-NRFANRHFSA-N 1 1 445.447 6.295 1 0 IKAFMO C[N@H+]1CCC[C@H]1CCn1c(Cc2ccccc2)cc2ccc(NC(=N)c3cccs3)cc21 ZINC000034806410 563087970 /nfs/dbraw/zinc/08/79/70/563087970.db2.gz WLCGLOBRFMKLOV-QHCPKHFHSA-N 1 1 442.632 6.215 1 0 IKAFMO CNc1ncc2cc(-c3cc(Nc4[nH]c5ccc(C(F)(F)F)cc5[nH+]4)ccc3C)ccc2n1 ZINC000035049801 563089023 /nfs/dbraw/zinc/08/90/23/563089023.db2.gz XDGHTBHPIPZHLJ-UHFFFAOYSA-N 1 1 448.452 6.286 1 0 IKAFMO CNc1ncc2cc(-c3cc(Nc4[nH]c5cc(C(F)(F)F)ccc5[nH+]4)ccc3C)ccc2n1 ZINC000035049801 563089025 /nfs/dbraw/zinc/08/90/25/563089025.db2.gz XDGHTBHPIPZHLJ-UHFFFAOYSA-N 1 1 448.452 6.286 1 0 IKAFMO O=C(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1Br ZINC000035190675 563089425 /nfs/dbraw/zinc/08/94/25/563089425.db2.gz BZCJMDNUOPIFDP-UHFFFAOYSA-N 1 1 432.749 5.273 1 0 IKAFMO CN(CCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)c1cccc(Br)c1 ZINC000035190742 563089443 /nfs/dbraw/zinc/08/94/43/563089443.db2.gz GGXYSDSJLOYHGZ-UHFFFAOYSA-N 1 1 432.749 5.225 1 0 IKAFMO Cc1n[nH]c2cc(F)c(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12 ZINC000035820220 563089980 /nfs/dbraw/zinc/08/99/80/563089980.db2.gz QRZGFWYMIXKLLF-IBGZPJMESA-N 1 1 442.494 5.281 1 0 IKAFMO Cc1ccccc1C(=O)N1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000036089438 563090890 /nfs/dbraw/zinc/09/08/90/563090890.db2.gz NCXICMCRAZHQIK-UHFFFAOYSA-N 1 1 444.966 5.266 1 0 IKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@H+]3C)cc1 ZINC000036270784 563092501 /nfs/dbraw/zinc/09/25/01/563092501.db2.gz SWUYKZCLBQJENR-PNHLWVRCSA-N 1 1 446.034 7.021 1 0 IKAFMO CCCCCCSc1cccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)c1 ZINC000036382318 563093938 /nfs/dbraw/zinc/09/39/38/563093938.db2.gz BNWYAYUIEFNXOC-UHFFFAOYSA-N 1 1 429.633 7.594 3 0 IKAFMO CCCCNc1c(-c2ccc(SC3CCCCC3)c(OC)c2)[nH+]c2ccc(Cl)cn21 ZINC000036382338 563093962 /nfs/dbraw/zinc/09/39/62/563093962.db2.gz SKEOOSMHSADXHA-UHFFFAOYSA-N 1 1 444.044 7.300 3 0 IKAFMO O=S(=O)(c1cn([C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc12)c1ccccc1 ZINC000038428544 563097695 /nfs/dbraw/zinc/09/76/95/563097695.db2.gz FHULGORNODYESR-QFIPXVFZSA-N 1 1 430.573 5.311 1 0 IKAFMO O=S(=O)(c1cn([C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc12)c1ccccc1 ZINC000038428544 563097697 /nfs/dbraw/zinc/09/76/97/563097697.db2.gz FHULGORNODYESR-QFIPXVFZSA-N 1 1 430.573 5.311 1 0 IKAFMO CC[C@H]1CCC[N@H+]1CN1C(=O)c2cccc3c4oc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040406519 563101384 /nfs/dbraw/zinc/10/13/84/563101384.db2.gz TYGGBXINXDIKGP-KRWDZBQOSA-N 1 1 425.488 5.076 1 0 IKAFMO COc1ccccc1N1CC[NH+](CCCSc2nc3cc(Cl)ccc3s2)CC1 ZINC000040408305 563101485 /nfs/dbraw/zinc/10/14/85/563101485.db2.gz QWGNWUSAOLOYIA-UHFFFAOYSA-N 1 1 434.030 5.263 1 0 in-vitro IKAFMO CCCC[N@@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)[O-])ccc2c1)n1ccnc1 ZINC000040556596 563104481 /nfs/dbraw/zinc/10/44/81/563104481.db2.gz JHXQEUXIBMCBIF-DVECYGJZSA-N 1 1 437.584 5.236 1 0 IKAFMO CCCCCCOc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 ZINC000040540445 563104511 /nfs/dbraw/zinc/10/45/11/563104511.db2.gz OLILNRMPURWOJW-DOEKTCAHSA-N 1 1 425.613 5.062 1 0 IKAFMO COc1nc2ccc(Br)cc2cc1[C@@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000040900812 563111038 /nfs/dbraw/zinc/11/10/38/563111038.db2.gz JWTKVSMSDOXVTM-QFIPXVFZSA-N 1 1 434.337 5.280 1 0 IKAFMO COc1cc2c(cc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)CCC2 ZINC000040918927 563111936 /nfs/dbraw/zinc/11/19/36/563111936.db2.gz PRBFCWQZDUFTDN-XWGVYQGASA-N 1 1 432.530 5.434 1 0 IKAFMO COc1cc2c(cc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)CCC2 ZINC000040918928 563111970 /nfs/dbraw/zinc/11/19/70/563111970.db2.gz PRBFCWQZDUFTDN-OEMFJLHTSA-N 1 1 432.530 5.434 1 0 IKAFMO Cc1nc(C)c(C[NH+]2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)o1 ZINC000040954871 563114552 /nfs/dbraw/zinc/11/45/52/563114552.db2.gz ZDEXJNDRVBEXFC-UHFFFAOYSA-N 1 1 443.595 5.454 1 0 IKAFMO Cc1c(C2CC2)[nH+]c2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12 ZINC000043062956 563117726 /nfs/dbraw/zinc/11/77/26/563117726.db2.gz YTHMURPQLYPGKV-UHFFFAOYSA-N 1 1 435.449 6.458 1 0 IKAFMO C[C@@H]1CCC[N@H+]1CCc1ccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4C3)cc2)cc1 ZINC000043071095 563118058 /nfs/dbraw/zinc/11/80/58/563118058.db2.gz BBDRSBPNMMZEST-OAQYLSRUSA-N 1 1 446.616 5.085 1 0 IKAFMO COc1ccc(-c2[nH+]c3ccc(CCc4ccccc4)cn3c2NC2CCCC2)cc1O ZINC000043123482 563119077 /nfs/dbraw/zinc/11/90/77/563119077.db2.gz IKCQKTLUQFVGOX-UHFFFAOYSA-N 1 1 427.548 5.855 1 0 IKAFMO c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)nc2c1 ZINC000045166975 563122236 /nfs/dbraw/zinc/12/22/36/563122236.db2.gz HPPGPWDMRXHJGL-UHFFFAOYSA-N 1 1 445.570 5.614 1 0 IKAFMO CN1CCC[N@@H+](Cc2ccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2)CC1 ZINC000045167870 563122435 /nfs/dbraw/zinc/12/24/35/563122435.db2.gz UMUKVTIUEPWRAM-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2ccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2)CC1 ZINC000045167870 563122436 /nfs/dbraw/zinc/12/24/36/563122436.db2.gz UMUKVTIUEPWRAM-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2ccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2)CC1 ZINC000045167870 563122437 /nfs/dbraw/zinc/12/24/37/563122437.db2.gz UMUKVTIUEPWRAM-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO COc1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)c2)cc1 ZINC000045167874 563122479 /nfs/dbraw/zinc/12/24/79/563122479.db2.gz GEJRBXXEAGGDRF-UHFFFAOYSA-N 1 1 433.555 6.504 1 0 IKAFMO O=C(Nc1ccc2c(c1)CCN2[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1)c1ccco1 ZINC000045169161 563122778 /nfs/dbraw/zinc/12/27/78/563122778.db2.gz KJQHQTZXUUMRBW-OAQYLSRUSA-N 1 1 443.572 5.384 1 0 IKAFMO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)cc2)cc1 ZINC000045186554 563122787 /nfs/dbraw/zinc/12/27/87/563122787.db2.gz MLYOFCMWHXKZJH-UHFFFAOYSA-N 1 1 433.555 6.504 1 0 IKAFMO COc1cc2[nH+]c(NCCc3ccccc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000045188111 563123013 /nfs/dbraw/zinc/12/30/13/563123013.db2.gz MJIYXZPEMWHXMI-UHFFFAOYSA-N 1 1 442.563 5.346 1 0 IKAFMO Cc1cccc2nc(-c3ccc(-c4cccc(C[NH2+]CCCN5CCCC5=O)c4)cc3)[nH]c21 ZINC000045188460 563123151 /nfs/dbraw/zinc/12/31/51/563123151.db2.gz QVJYGDKBJWPFBJ-UHFFFAOYSA-N 1 1 438.575 5.307 1 0 IKAFMO COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccc3ccccc3c2)cc1 ZINC000045189600 563123380 /nfs/dbraw/zinc/12/33/80/563123380.db2.gz BOUHLEBIRIINQP-MUUNZHRXSA-N 1 1 436.555 5.092 1 0 IKAFMO COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccc3ccccc3c2)cc1 ZINC000045189600 563123381 /nfs/dbraw/zinc/12/33/81/563123381.db2.gz BOUHLEBIRIINQP-MUUNZHRXSA-N 1 1 436.555 5.092 1 0 IKAFMO O=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000045190771 563123610 /nfs/dbraw/zinc/12/36/10/563123610.db2.gz OVPPARVKZVMJMM-QDMAWREGSA-N 1 1 449.466 6.504 1 0 IKAFMO Fc1cc(Cl)ccc1Nc1cc[nH+]c2cc(-c3ccc(CN4CCOCC4)o3)ccc12 ZINC000045190867 563123642 /nfs/dbraw/zinc/12/36/42/563123642.db2.gz FYZPDFIIIHRTFM-UHFFFAOYSA-N 1 1 437.902 5.863 1 0 IKAFMO COc1cc(NCCCNC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)[nH+]c2ccccc21 ZINC000045192325 563123813 /nfs/dbraw/zinc/12/38/13/563123813.db2.gz KSJHYCMCFXPRKH-UHFFFAOYSA-N 1 1 443.334 5.264 1 0 IKAFMO COc1cc2[nH+]c(NCCc3ccccc3)nc(N[C@H](C)c3ccccc3)c2cc1OC ZINC000045192970 563123946 /nfs/dbraw/zinc/12/39/46/563123946.db2.gz QLONGTBHBFULLE-GOSISDBHSA-N 1 1 428.536 5.475 1 0 IKAFMO CCCCC[N@H+]1CCCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045193266 563124082 /nfs/dbraw/zinc/12/40/82/563124082.db2.gz SSSLUJDXTNZXHF-UHFFFAOYSA-N 1 1 435.637 5.852 1 0 IKAFMO Cc1ccc(C(=O)Nc2ccc(Nc3cc[nH+]c4cc(-c5ccncc5)ccc34)cc2O)cc1 ZINC000045195953 563124590 /nfs/dbraw/zinc/12/45/90/563124590.db2.gz RSQWNVAGGHVFHE-UHFFFAOYSA-N 1 1 446.510 6.307 1 0 IKAFMO CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045201627 563124779 /nfs/dbraw/zinc/12/47/79/563124779.db2.gz UPYRRKVDGCFLHC-HXUWFJFHSA-N 1 1 439.024 5.883 1 0 IKAFMO CC[NH+](CC)CCC[C@H](C)Nc1c2ccccc2ncc1-c1ccc(Br)cc1 ZINC000045202277 563124906 /nfs/dbraw/zinc/12/49/06/563124906.db2.gz UJFNYFYGEZKWLN-SFHVURJKSA-N 1 1 440.429 6.587 1 0 IKAFMO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccsc4)C3)cc2)cc1 ZINC000045202528 563125106 /nfs/dbraw/zinc/12/51/06/563125106.db2.gz MTIBQKRTTWKTAA-XMMPIXPASA-N 1 1 447.604 5.128 1 0 IKAFMO CC(C)CC[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000045202567 563125109 /nfs/dbraw/zinc/12/51/09/563125109.db2.gz YLGLSCDJZAZEOM-UHFFFAOYSA-N 1 1 435.656 5.790 1 0 IKAFMO C[C@H]1CN(c2ccnc3ccc(Sc4ccc(Oc5ccccc5)cc4)cc32)C[C@H](C)[NH2+]1 ZINC000045203043 563125158 /nfs/dbraw/zinc/12/51/58/563125158.db2.gz PWOXOZQCXYPBMY-PMACEKPBSA-N 1 1 441.600 6.365 1 0 IKAFMO CC[N@H+]1CC[C@@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@@H]2C1 ZINC000045226856 563125401 /nfs/dbraw/zinc/12/54/01/563125401.db2.gz UEGULVGUPOVLGQ-XJFCNFDWSA-N 1 1 448.610 6.289 1 0 IKAFMO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045226497 563125416 /nfs/dbraw/zinc/12/54/16/563125416.db2.gz ODMDZKJPAOHSAV-UHFFFAOYSA-N 1 1 442.538 5.138 1 0 IKAFMO COc1ccccc1C[C@H]1CCC[N@H+](C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)C1 ZINC000045227099 563125501 /nfs/dbraw/zinc/12/55/01/563125501.db2.gz WZVZYWKRIWHYBJ-QUVATAORSA-N 1 1 445.607 5.172 1 0 IKAFMO COc1ccccc1C[C@@H]1CCC[N@H+](C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)C1 ZINC000045227096 563125538 /nfs/dbraw/zinc/12/55/38/563125538.db2.gz WZVZYWKRIWHYBJ-XOYNAWAESA-N 1 1 445.607 5.172 1 0 IKAFMO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)cc1 ZINC000045228035 563125607 /nfs/dbraw/zinc/12/56/07/563125607.db2.gz CZTLSSJLYRKOJJ-UHFFFAOYSA-N 1 1 437.518 6.334 1 0 IKAFMO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](Cc4cccs4)CC3)cc2)cc1 ZINC000045228222 563125636 /nfs/dbraw/zinc/12/56/36/563125636.db2.gz BQPRVTGUDSOZIP-UHFFFAOYSA-N 1 1 433.621 5.271 1 0 IKAFMO CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccs4)CC3)cc2)cc1 ZINC000045228222 563125637 /nfs/dbraw/zinc/12/56/37/563125637.db2.gz BQPRVTGUDSOZIP-UHFFFAOYSA-N 1 1 433.621 5.271 1 0 IKAFMO CCc1ccc(NC(=O)c2ccc(C[N@H+]3CCCN(Cc4cccs4)CC3)cc2)cc1 ZINC000045228222 563125638 /nfs/dbraw/zinc/12/56/38/563125638.db2.gz BQPRVTGUDSOZIP-UHFFFAOYSA-N 1 1 433.621 5.271 1 0 IKAFMO O[C@H](c1cccc2ccccc21)[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000045229270 563125835 /nfs/dbraw/zinc/12/58/35/563125835.db2.gz XFFYVBZPCUFWIJ-JBOQNHBVSA-N 1 1 437.583 5.326 1 0 IKAFMO Fc1ccc(Nc2cc[nH+]c3cc(-c4ccc(CN5CCOCC5)o4)ccc23)c(Cl)c1 ZINC000045230036 563126053 /nfs/dbraw/zinc/12/60/53/563126053.db2.gz SDQBDVUXVWLUCG-UHFFFAOYSA-N 1 1 437.902 5.863 1 0 IKAFMO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000045301737 563129284 /nfs/dbraw/zinc/12/92/84/563129284.db2.gz INUJBOMTBYEIKV-QHCPKHFHSA-N 1 1 427.504 5.042 1 0 IKAFMO O[C@H](c1ccc2ccccc2c1)[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000045301561 563129287 /nfs/dbraw/zinc/12/92/87/563129287.db2.gz BLEPDVZKUWUXPR-JBOQNHBVSA-N 1 1 437.583 5.326 1 0 IKAFMO Cc1[nH]c2cc(C)ccc2c1C1=CC[N@@H+](CCCC[C@@]2(C)c3ccccc3NC2=O)CC1 ZINC000045315462 563129796 /nfs/dbraw/zinc/12/97/96/563129796.db2.gz UIHWGNBWJSMEDG-NDEPHWFRSA-N 1 1 427.592 5.954 1 0 IKAFMO CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045316897 563129949 /nfs/dbraw/zinc/12/99/49/563129949.db2.gz JXKHYNWAUUPXPT-FQEVSTJZSA-N 1 1 439.024 5.883 1 0 IKAFMO CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045316892 563129989 /nfs/dbraw/zinc/12/99/89/563129989.db2.gz JXKHYNWAUUPXPT-HXUWFJFHSA-N 1 1 439.024 5.883 1 0 IKAFMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000045317817 563130052 /nfs/dbraw/zinc/13/00/52/563130052.db2.gz CNVACQAZJPGNQX-INIZCTEOSA-N 1 1 444.406 6.136 1 0 IKAFMO CCc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045323247 563130666 /nfs/dbraw/zinc/13/06/66/563130666.db2.gz PCMMSRBAVJWIOY-HSZRJFAPSA-N 1 1 433.621 5.048 1 0 IKAFMO C[NH+]1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)CC1 ZINC000045323382 563130669 /nfs/dbraw/zinc/13/06/69/563130669.db2.gz BUXIFRZRAPYNIB-UHFFFAOYSA-N 1 1 428.511 5.316 1 0 IKAFMO CN1CCC[N@@H+](Cc2cccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2)CC1 ZINC000045323274 563130688 /nfs/dbraw/zinc/13/06/88/563130688.db2.gz UPKQGWAMXHIPHH-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2cccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2)CC1 ZINC000045323274 563130689 /nfs/dbraw/zinc/13/06/89/563130689.db2.gz UPKQGWAMXHIPHH-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2cccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2)CC1 ZINC000045323274 563130690 /nfs/dbraw/zinc/13/06/90/563130690.db2.gz UPKQGWAMXHIPHH-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO CCOc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000045323669 563130818 /nfs/dbraw/zinc/13/08/18/563130818.db2.gz DFTGGTMTVVAWRN-UHFFFAOYSA-N 1 1 442.991 5.131 1 0 IKAFMO Nc1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)c1 ZINC000045334453 563131100 /nfs/dbraw/zinc/13/11/00/563131100.db2.gz IOXRHMIIDQOCMJ-UHFFFAOYSA-N 1 1 428.536 5.970 1 0 IKAFMO CSc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045335377 563131239 /nfs/dbraw/zinc/13/12/39/563131239.db2.gz UQGIMHSSUUVPFC-GOSISDBHSA-N 1 1 440.609 5.528 1 0 IKAFMO Clc1ccc(N2C[C@H](C[NH+]3CCNCC3)CC[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000045335517 563131253 /nfs/dbraw/zinc/13/12/53/563131253.db2.gz SLLNLWVFUSGGBR-AOMKIAJQSA-N 1 1 438.830 5.510 1 0 IKAFMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 ZINC000045335344 563131278 /nfs/dbraw/zinc/13/12/78/563131278.db2.gz ZTBJTWFEVISZIS-FQEVSTJZSA-N 1 1 448.567 5.150 1 0 IKAFMO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)C1 ZINC000045335344 563131279 /nfs/dbraw/zinc/13/12/79/563131279.db2.gz ZTBJTWFEVISZIS-FQEVSTJZSA-N 1 1 448.567 5.150 1 0 IKAFMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)C1 ZINC000045335344 563131280 /nfs/dbraw/zinc/13/12/80/563131280.db2.gz ZTBJTWFEVISZIS-FQEVSTJZSA-N 1 1 448.567 5.150 1 0 IKAFMO COc1cccc(CCN2Cc3ccc(C(=O)NC(C)C)cc3[NH+]=C2c2ccc(C)cc2)c1 ZINC000049710351 563139148 /nfs/dbraw/zinc/13/91/48/563139148.db2.gz WIEXXPBEWCXNCW-UHFFFAOYSA-N 1 1 441.575 5.278 1 0 IKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000052603518 563140810 /nfs/dbraw/zinc/14/08/10/563140810.db2.gz ZGZNFZMNAFLLAL-SBKMGBICSA-N 1 1 439.559 5.266 1 0 IKAFMO CCCc1nc(-c2ccccc2)c(CNCCC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)o1 ZINC000053296932 563141927 /nfs/dbraw/zinc/14/19/27/563141927.db2.gz RIVFPMOSCDGBFW-UHFFFAOYSA-N 1 1 446.639 5.213 1 0 IKAFMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000058519763 563143860 /nfs/dbraw/zinc/14/38/60/563143860.db2.gz AHXMJVFHPCQZOY-RBISFHTESA-N 1 1 428.620 5.985 1 0 IKAFMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000058519763 563143862 /nfs/dbraw/zinc/14/38/62/563143862.db2.gz AHXMJVFHPCQZOY-RBISFHTESA-N 1 1 428.620 5.985 1 0 IKAFMO CC(C)[N@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058626882 563145889 /nfs/dbraw/zinc/14/58/89/563145889.db2.gz DGFHXAOEKNNJGT-OAQYLSRUSA-N 1 1 433.930 5.698 1 0 IKAFMO CCCc1cc(-c2cncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)c2)cc2c(C)n[nH]c21 ZINC000059206023 563146312 /nfs/dbraw/zinc/14/63/12/563146312.db2.gz FYXLHXKTNFICLL-QFIPXVFZSA-N 1 1 439.563 5.316 1 0 IKAFMO c1ccc([C@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059938829 563146886 /nfs/dbraw/zinc/14/68/86/563146886.db2.gz QVEISLUVGUTKAZ-HXUOFSJXSA-N 1 1 442.606 6.770 3 0 IKAFMO CCc1[nH+]c2ccc(C(=O)N(C)Cc3ccccc3)cn2c1N(C)CCCc1ccccc1 ZINC000061905265 563148294 /nfs/dbraw/zinc/14/82/94/563148294.db2.gz BZBBAPGCSGLIOI-UHFFFAOYSA-N 1 1 440.591 5.238 3 0 IKAFMO COc1ccc(N2c3ccccc3C[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2Cc2cccnc2)cc1 ZINC000061921048 563149144 /nfs/dbraw/zinc/14/91/44/563149144.db2.gz ANHLRXSRCGGNSH-YUDQIZAISA-N 1 1 449.598 6.244 3 0 IKAFMO O=C(NCC1=C(c2cccc3ccccc32)C[C@@H]2CC[C@H]1[N@H+]2Cc1ccco1)c1cccnc1 ZINC000061921170 563149155 /nfs/dbraw/zinc/14/91/55/563149155.db2.gz UVMCVUHMMCICRM-RBISFHTESA-N 1 1 449.554 5.448 3 0 IKAFMO O=C(NCC1=C(c2cccc3ccccc32)C[C@@H]2CC[C@H]1[N@H+]2Cc1ccco1)c1ccncc1 ZINC000061921165 563149159 /nfs/dbraw/zinc/14/91/59/563149159.db2.gz AQLDYUXTAQQKBA-RBISFHTESA-N 1 1 449.554 5.448 3 0 IKAFMO [NH3+][C@H](COCc1ccccc1)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000061928685 563150374 /nfs/dbraw/zinc/15/03/74/563150374.db2.gz VYEHYGFLSBWERM-MRXNPFEDSA-N 1 1 436.459 5.023 3 0 IKAFMO FC(F)(F)c1ccc(CN[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000066075336 563157398 /nfs/dbraw/zinc/15/73/98/563157398.db2.gz FKZGPBWOYWVDOZ-BGYRXZFFSA-N 1 1 430.436 5.915 1 0 IKAFMO COc1cccc(CNc2[nH]cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)[nH+]2)c1 ZINC000072112340 563163408 /nfs/dbraw/zinc/16/34/08/563163408.db2.gz CNQNCTWLIOVECY-UHFFFAOYSA-N 1 1 431.539 7.031 1 0 IKAFMO Cc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000072119770 563163788 /nfs/dbraw/zinc/16/37/88/563163788.db2.gz OIGNBZIMZUYPRD-OYUWMTPXSA-N 1 1 448.586 5.322 1 0 IKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)Nc2cccc4ccccc42)c1-3 ZINC000072176063 563165498 /nfs/dbraw/zinc/16/54/98/563165498.db2.gz GSEIFCYYFLMJKI-SANMLTNESA-N 1 1 448.566 6.983 1 0 IKAFMO CC[NH2+]Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(C(C)(C)C)cc5[nH]4)c3c2)c1C ZINC000072177799 563166129 /nfs/dbraw/zinc/16/61/29/563166129.db2.gz BTZKLNXUUNMKEA-UHFFFAOYSA-N 1 1 438.579 5.884 1 0 IKAFMO CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072182100 563167343 /nfs/dbraw/zinc/16/73/43/563167343.db2.gz AGRBAIWRSFYYIK-JOCHJYFZSA-N 1 1 429.486 5.457 1 0 IKAFMO COc1cc2c(cc1OC)[C@@H](C(C)C)[N@H+](Cc1coc(-c3cccc4ccccc43)n1)CC2 ZINC000072184089 563167754 /nfs/dbraw/zinc/16/77/54/563167754.db2.gz FKLZHIRDMSNGDG-HHHXNRCGSA-N 1 1 442.559 6.267 1 0 IKAFMO COc1cc2c(cc1OC)[C@@H](C(C)C)[N@@H+](Cc1coc(-c3cccc4ccccc43)n1)CC2 ZINC000072184089 563167755 /nfs/dbraw/zinc/16/77/55/563167755.db2.gz FKLZHIRDMSNGDG-HHHXNRCGSA-N 1 1 442.559 6.267 1 0 IKAFMO CC[C@H](C)[C@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184256 563167786 /nfs/dbraw/zinc/16/77/86/563167786.db2.gz XLYFKUYOYSCHFH-CVDCTZTESA-N 1 1 435.568 5.064 1 0 IKAFMO CCCC[N@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000078159335 563172886 /nfs/dbraw/zinc/17/28/86/563172886.db2.gz ONLUPAGVWPDBBI-LJGDZFJRSA-N 1 1 436.640 6.228 1 0 IKAFMO Oc1ccc2c(c1)[C@]13CC[N@@H+](CCc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3 ZINC000082150482 563173074 /nfs/dbraw/zinc/17/30/74/563173074.db2.gz PVRBNOJOCABNBR-LXLYTFERSA-N 1 1 446.594 5.466 1 0 IKAFMO O=C(N[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652301 563174951 /nfs/dbraw/zinc/17/49/51/563174951.db2.gz JLXXCLSUOAQVBS-FBILRYNDSA-N 1 1 440.647 5.929 1 0 IKAFMO CCCc1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccsc4)CC3)cc2)cc1 ZINC000084733766 563178892 /nfs/dbraw/zinc/17/88/92/563178892.db2.gz MTIOKEMZAYZZPY-UHFFFAOYSA-N 1 1 433.621 5.271 1 0 IKAFMO CCCc1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccsc4)CC3)cc2)cc1 ZINC000084733766 563178894 /nfs/dbraw/zinc/17/88/94/563178894.db2.gz MTIOKEMZAYZZPY-UHFFFAOYSA-N 1 1 433.621 5.271 1 0 IKAFMO CCc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000095554561 563181180 /nfs/dbraw/zinc/18/11/80/563181180.db2.gz NMTPEPMKHPKCNG-UHFFFAOYSA-N 1 1 440.012 5.099 1 0 IKAFMO C[NH+]1CCN(CCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095557797 563181697 /nfs/dbraw/zinc/18/16/97/563181697.db2.gz LYYKTBPUPZEIDM-PHPBTLJDSA-N 1 1 428.664 5.825 1 0 IKAFMO O=c1c(C[N@@H+](CCO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000095563206 563182848 /nfs/dbraw/zinc/18/28/48/563182848.db2.gz MHGTXKGCDDUMDE-UHFFFAOYSA-N 1 1 427.585 5.127 1 0 IKAFMO C[N@@H+](CCCCCCCOc1cccc(-c2cc3ccccc3o2)c1)Cc1ccccc1 ZINC000095576777 563186061 /nfs/dbraw/zinc/18/60/61/563186061.db2.gz KZCBXFYBDMOIIA-UHFFFAOYSA-N 1 1 427.588 7.561 1 0 IKAFMO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)c(Cl)c3)[nH]2)cc1 ZINC000095589919 563189843 /nfs/dbraw/zinc/18/98/43/563189843.db2.gz VCKBXWWRSZEHIZ-UHFFFAOYSA-N 1 1 436.918 5.539 1 0 IKAFMO CC(C)(C)c1cc(-c2ccc([C@]3(O)C[N@@H+]4CCCC[C@@H]4CO3)cc2)cc(C(C)(C)C)c1O ZINC000095590599 563190124 /nfs/dbraw/zinc/19/01/24/563190124.db2.gz NSTVWXQNDPCSER-DFHRPNOPSA-N 1 1 437.624 5.684 1 0 IKAFMO CC(C)(C)c1cc(-c2ccc([C@]3(O)C[N@H+]4CCCC[C@@H]4CO3)cc2)cc(C(C)(C)C)c1O ZINC000095590599 563190125 /nfs/dbraw/zinc/19/01/25/563190125.db2.gz NSTVWXQNDPCSER-DFHRPNOPSA-N 1 1 437.624 5.684 1 0 IKAFMO C[N@H+]1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 ZINC000095604509 563193722 /nfs/dbraw/zinc/19/37/22/563193722.db2.gz KVPUYEWVBCFJKC-HNNXBMFYSA-N 1 1 429.280 5.163 1 0 IKAFMO FC(F)(F)c1ccc(-c2cnn3c2nc(NCCCc2[nH]cc[nH+]2)c2ccccc23)cc1 ZINC000096933174 563198979 /nfs/dbraw/zinc/19/89/79/563198979.db2.gz IYFQYPZHCQWUMD-UHFFFAOYSA-N 1 1 436.441 5.336 1 0 IKAFMO COc1ccc([C@H]2SCCC(=O)N2CCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000098082202 563200466 /nfs/dbraw/zinc/20/04/66/563200466.db2.gz KXDQEOUBPORBEA-HSZRJFAPSA-N 1 1 441.984 5.363 1 0 IKAFMO Fc1ccc(-c2nc(-c3ccc(OCC[NH+]4CCCCC4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000098082751 563200618 /nfs/dbraw/zinc/20/06/18/563200618.db2.gz FLRJDNNKJDNARH-UHFFFAOYSA-N 1 1 441.550 6.415 1 0 IKAFMO Clc1cccc(N2CC[NH+](C[C@@H]3C[C@@H]4c5ccccc5Cc5ccccc5N4O3)CC2)c1 ZINC000013437031 132346880 /nfs/dbraw/zinc/34/68/80/132346880.db2.gz OZETYYSIKGRYTO-RPLLCQBOSA-N 1 1 445.994 5.318 1 0 IKAFMO C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@H]4[C@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2C[N@H+]2C[C@@H](C)CC[C@@]12C ZINC000070454878 560047941 /nfs/dbraw/zinc/04/79/41/560047941.db2.gz YKPDVTWVOLGMLP-STTDZKEYSA-N 1 1 427.673 5.162 1 0 biogenic,in-vitro IKAFMO O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000001633584 562923369 /nfs/dbraw/zinc/92/33/69/562923369.db2.gz CKXHBOOZRVVPKN-UHFFFAOYSA-N 1 1 444.534 5.851 1 0 IKAFMO Cn1cccc1C(=O)N1CCC2(CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955807 562939890 /nfs/dbraw/zinc/93/98/90/562939890.db2.gz SFASLKXBKBHWHL-UHFFFAOYSA-N 1 1 427.592 5.133 1 0 IKAFMO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000003976343 562940303 /nfs/dbraw/zinc/94/03/03/562940303.db2.gz FRDMBUQGNRPFBS-MVERNJQCSA-N 1 1 435.612 5.330 1 0 IKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)C(C)(C)C)c2NC(C)(C)CC(C)(C)C ZINC000004718990 562943483 /nfs/dbraw/zinc/94/34/83/562943483.db2.gz BAFAYQDYVYNPOQ-UHFFFAOYSA-N 1 1 435.612 6.888 1 0 IKAFMO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000005596652 562944393 /nfs/dbraw/zinc/94/43/93/562944393.db2.gz NYJQZRBPKNCCPF-XMSQKQJNSA-N 1 1 443.513 5.995 1 0 IKAFMO Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000005596654 562944406 /nfs/dbraw/zinc/94/44/06/562944406.db2.gz OUSCXVGRSXJTRW-DYESRHJHSA-N 1 1 429.486 5.692 1 0 IKAFMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597892 562954095 /nfs/dbraw/zinc/95/40/95/562954095.db2.gz SKTJVYWHOWWHIK-NRFANRHFSA-N 1 1 437.971 5.140 1 0 IKAFMO Cc1ccc2nc(Cl)c3cc(C(=O)NCCC[N@H+](C)Cc4ccccc4)sc3c2c1 ZINC000008599642 562954811 /nfs/dbraw/zinc/95/48/11/562954811.db2.gz SXGCYFDVCADQKO-UHFFFAOYSA-N 1 1 437.996 5.663 1 0 IKAFMO O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011936852 562979899 /nfs/dbraw/zinc/97/98/99/562979899.db2.gz WIVRTFMZHXNYOT-OAQYLSRUSA-N 1 1 448.586 5.389 3 0 IKAFMO CC(C)n1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012111923 562980831 /nfs/dbraw/zinc/98/08/31/562980831.db2.gz RCEPLTQHRCQLIM-QHCPKHFHSA-N 1 1 441.579 5.463 3 0 IKAFMO CCC[C@H]1C[C@@H](Cc2ccccc2)CC[N@H+]1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443638 562986715 /nfs/dbraw/zinc/98/67/15/562986715.db2.gz LSVGDBOAFGMALQ-BVAGGSTKSA-N 1 1 435.612 5.524 1 0 IKAFMO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[N@@H+](C)C(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450814 562987332 /nfs/dbraw/zinc/98/73/32/562987332.db2.gz GBZUXDPXMPXSQT-YLJYHZDGSA-N 1 1 448.529 5.363 1 0 IKAFMO CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452578 562987555 /nfs/dbraw/zinc/98/75/55/562987555.db2.gz NOWQNKKWTMXZLC-UHFFFAOYSA-N 1 1 438.703 6.113 1 0 IKAFMO COc1cc(Br)cc(-c2ccc(C[N@H+]3CCc4ccccc4C3)[nH]2)c1OC ZINC000013476302 562989102 /nfs/dbraw/zinc/98/91/02/562989102.db2.gz WZKNBWSCKIWALS-UHFFFAOYSA-N 1 1 427.342 5.020 1 0 IKAFMO Fc1ccc(C(OCC=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013487733 562989429 /nfs/dbraw/zinc/98/94/29/562989429.db2.gz KYJSNZTVIGEASQ-HNRBIFIRSA-N 1 1 445.553 6.824 1 0 IKAFMO Clc1ccc2c(c1)C(=NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)Nc1cccnc1N2 ZINC000013492090 562990629 /nfs/dbraw/zinc/99/06/29/562990629.db2.gz JQCALUODVNXQRL-SEJPIABJSA-N 1 1 443.982 5.656 1 0 IKAFMO C[C@@H]1C[C@H](c2cc3cc(F)ccc3s2)CC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535655 562992361 /nfs/dbraw/zinc/99/23/61/562992361.db2.gz VXBBUYIZAQUAJB-HLIPFELVSA-N 1 1 438.568 5.530 1 0 IKAFMO COc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@H+]5C)c4c3)CC2)cc1 ZINC000013553512 562992895 /nfs/dbraw/zinc/99/28/95/562992895.db2.gz ZCSYDBRBZWDFCJ-HSZRJFAPSA-N 1 1 444.579 5.134 1 0 IKAFMO Cc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@@H+]5C)c4c3)CC2)cc1 ZINC000013553513 562992904 /nfs/dbraw/zinc/99/29/04/562992904.db2.gz HLVNEWORWPHIMZ-XMMPIXPASA-N 1 1 428.580 5.434 1 0 IKAFMO C[C@@H]1Cc2ccc(O)cc2C[N@@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589146 562996239 /nfs/dbraw/zinc/99/62/39/562996239.db2.gz ARWAMBQDACJJIL-FTUXVVSKSA-N 1 1 426.560 5.172 1 0 IKAFMO C[C@@H]1Cc2ccc(O)cc2C[N@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589146 562996241 /nfs/dbraw/zinc/99/62/41/562996241.db2.gz ARWAMBQDACJJIL-FTUXVVSKSA-N 1 1 426.560 5.172 1 0 IKAFMO C[N@@H+](Cc1ccc(COC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1 ZINC000013602058 562996916 /nfs/dbraw/zinc/99/69/16/562996916.db2.gz SUMSQYYVIYCYJK-HHHXNRCGSA-N 1 1 439.596 5.555 1 0 IKAFMO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000013613223 562998116 /nfs/dbraw/zinc/99/81/16/562998116.db2.gz FRDMBUQGNRPFBS-JCYRPKCISA-N 1 1 435.612 5.330 1 0 IKAFMO CC[N@@H+](CCCCCC[C@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738615 563002889 /nfs/dbraw/zinc/00/28/89/563002889.db2.gz AEFFXIUFESKRQO-FQEVSTJZSA-N 1 1 439.596 5.540 1 0 IKAFMO Oc1cc2c(cc1Br)CC[N@@H+](C/C=C/c1ccccc1)C[C@@H]2c1ccccc1 ZINC000013757558 563004595 /nfs/dbraw/zinc/00/45/95/563004595.db2.gz MGKVCPAAEMUDQN-BWAMLYQTSA-N 1 1 434.377 5.858 1 0 IKAFMO CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc(C(=O)N(C)C3CCCCC3)c2)CC1 ZINC000013779654 563006210 /nfs/dbraw/zinc/00/62/10/563006210.db2.gz OWAFKUCCSIAXDM-UHFFFAOYSA-N 1 1 449.639 5.201 1 0 IKAFMO COc1ccc(CC[N@@H+](C)CC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780752 563006481 /nfs/dbraw/zinc/00/64/81/563006481.db2.gz KQKQJSMFQYTBBL-XMMPIXPASA-N 1 1 446.591 5.036 1 0 IKAFMO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](CCc3ccccc3)[C@@H]1N2C ZINC000013797558 563007586 /nfs/dbraw/zinc/00/75/86/563007586.db2.gz XVAIKIDWWWIJHZ-XCZPVHLTSA-N 1 1 441.575 5.588 1 0 IKAFMO C[N@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000013804573 563008319 /nfs/dbraw/zinc/00/83/19/563008319.db2.gz RRWQOIKRLCJAFP-VMDGZTHMSA-N 1 1 435.178 5.173 1 0 IKAFMO C[N@H+]1C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812943 563009019 /nfs/dbraw/zinc/00/90/19/563009019.db2.gz PPZQMHXDQXPIHV-ILQJIGPNSA-N 1 1 433.517 6.824 3 0 IKAFMO COc1ccc([C@H]2Oc3ccccc3N(CCCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1 ZINC000013834493 563011991 /nfs/dbraw/zinc/01/19/91/563011991.db2.gz IIVFKZRYVBKPLV-YZIHRLCOSA-N 1 1 436.596 5.595 1 0 IKAFMO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2C)cc1 ZINC000013862304 563012861 /nfs/dbraw/zinc/01/28/61/563012861.db2.gz KEHOXWIRLSRNHN-KDYSTLNUSA-N 1 1 449.639 5.436 1 0 IKAFMO COc1c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(Br)c2ccccc21 ZINC000013862875 563013191 /nfs/dbraw/zinc/01/31/91/563013191.db2.gz JVVXYJOBIBKLSD-KRWDZBQOSA-N 1 1 445.401 5.138 1 0 IKAFMO COc1c(C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)cc(Br)c2ccccc21 ZINC000013862864 563013193 /nfs/dbraw/zinc/01/31/93/563013193.db2.gz CJONMKUBCIENBK-INIZCTEOSA-N 1 1 445.401 5.138 1 0 IKAFMO C[N@H+]1CCCC[C@@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1O ZINC000013905910 563013953 /nfs/dbraw/zinc/01/39/53/563013953.db2.gz BPSJUELGMDRIEX-XMMPIXPASA-N 1 1 430.548 5.434 1 0 IKAFMO COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)[N@@H+](C)[C@H]2C ZINC000014421116 563014505 /nfs/dbraw/zinc/01/45/05/563014505.db2.gz KKJVVBRCACGMIS-IRXDYDNUSA-N 1 1 435.564 5.787 1 0 IKAFMO c1ccc(C(OCC[NH+]2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccccc2)cc1 ZINC000022927659 563026165 /nfs/dbraw/zinc/02/61/65/563026165.db2.gz COAWDEAIUUNIEE-UHFFFAOYSA-N 1 1 438.615 5.440 1 0 IKAFMO Cc1ccc2c(cccc2OCC[NH+]2CCN(Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC000022933655 563026382 /nfs/dbraw/zinc/02/63/82/563026382.db2.gz NEKNPPRWLZIEGE-UHFFFAOYSA-N 1 1 430.379 5.047 1 0 IKAFMO c1c2ccccc2[nH]c1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938630 563026586 /nfs/dbraw/zinc/02/65/86/563026586.db2.gz RFFULCJLCNPMMP-UHFFFAOYSA-N 1 1 425.576 5.092 1 0 IKAFMO C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1C/C=C/c1ccccc1 ZINC000022938515 563026597 /nfs/dbraw/zinc/02/65/97/563026597.db2.gz NQBRJWVFVDOVMT-GIJMSBLHSA-N 1 1 440.631 5.901 1 0 IKAFMO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1C/C=C/c1ccccc1 ZINC000022938515 563026598 /nfs/dbraw/zinc/02/65/98/563026598.db2.gz NQBRJWVFVDOVMT-GIJMSBLHSA-N 1 1 440.631 5.901 1 0 IKAFMO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1C/C=C/c1ccccc1 ZINC000022938515 563026599 /nfs/dbraw/zinc/02/65/99/563026599.db2.gz NQBRJWVFVDOVMT-GIJMSBLHSA-N 1 1 440.631 5.901 1 0 IKAFMO c1ccc(CCC[N@H+]2CCCCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022938469 563026605 /nfs/dbraw/zinc/02/66/05/563026605.db2.gz OROJBVXOPXWKMA-UHFFFAOYSA-N 1 1 442.647 5.823 1 0 IKAFMO C[NH+]1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)CC1 ZINC000023361026 563027247 /nfs/dbraw/zinc/02/72/47/563027247.db2.gz HOGIQAJOASEATP-UHFFFAOYSA-N 1 1 441.019 5.197 1 0 IKAFMO CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)cc1 ZINC000026251420 563030088 /nfs/dbraw/zinc/03/00/88/563030088.db2.gz GJXRNZBLMAGVNN-WMPKNSHKSA-N 1 1 444.619 5.840 1 0 IKAFMO CCCC(=O)c1cnc2c(OCCC[NH+]3CCOCC3)cccc2c1Nc1ccccc1C ZINC000026656990 563034889 /nfs/dbraw/zinc/03/48/89/563034889.db2.gz UTXDPHIOHBIVCV-UHFFFAOYSA-N 1 1 447.579 5.371 1 0 IKAFMO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727630 563035820 /nfs/dbraw/zinc/03/58/20/563035820.db2.gz AGKXRBAYJBHVLK-CTNGQTDRSA-N 1 1 449.595 5.261 1 0 IKAFMO CCOC(=O)[C@H]1CCC[N@H+](Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731120 563035910 /nfs/dbraw/zinc/03/59/10/563035910.db2.gz OYUQYRJYOXLEBN-FQEVSTJZSA-N 1 1 449.595 5.215 1 0 IKAFMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731120 563035912 /nfs/dbraw/zinc/03/59/12/563035912.db2.gz OYUQYRJYOXLEBN-FQEVSTJZSA-N 1 1 449.595 5.215 1 0 IKAFMO CCOC(=O)[C@H]1CCC[N@H+](Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731120 563035913 /nfs/dbraw/zinc/03/59/13/563035913.db2.gz OYUQYRJYOXLEBN-FQEVSTJZSA-N 1 1 449.595 5.215 1 0 IKAFMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731120 563035915 /nfs/dbraw/zinc/03/59/15/563035915.db2.gz OYUQYRJYOXLEBN-FQEVSTJZSA-N 1 1 449.595 5.215 1 0 IKAFMO COc1ccc(CC[N@H+]2CCC[C@H]2COC(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000027193186 563040408 /nfs/dbraw/zinc/04/04/08/563040408.db2.gz OIQRMMBDEJLAEE-MHZLTWQESA-N 1 1 429.604 6.125 1 0 IKAFMO C[C@H]1C[NH+](CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 ZINC000027518363 563042585 /nfs/dbraw/zinc/04/25/85/563042585.db2.gz KRUBQUVNIYCARV-SVBPBHIXSA-N 1 1 441.663 6.242 1 0 IKAFMO Fc1ccc(/C=C/CC[N@@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027713423 563045706 /nfs/dbraw/zinc/04/57/06/563045706.db2.gz FKHCXPISZAZFPT-HNQUOIGGSA-N 1 1 432.489 6.509 1 0 IKAFMO Fc1ccc(/C=C/CC[N@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027713423 563045709 /nfs/dbraw/zinc/04/57/09/563045709.db2.gz FKHCXPISZAZFPT-HNQUOIGGSA-N 1 1 432.489 6.509 1 0 IKAFMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000027727582 563045950 /nfs/dbraw/zinc/04/59/50/563045950.db2.gz WZIMAOZBBMLXCC-RUZDIDTESA-N 1 1 427.632 7.218 1 0 IKAFMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000027726044 563045969 /nfs/dbraw/zinc/04/59/69/563045969.db2.gz LITJZIGKHVGYFL-HHHXNRCGSA-N 1 1 432.514 5.781 1 0 IKAFMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000027726044 563045971 /nfs/dbraw/zinc/04/59/71/563045971.db2.gz LITJZIGKHVGYFL-HHHXNRCGSA-N 1 1 432.514 5.781 1 0 IKAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c3ccccc13)CC[N@@H+](Cc1ccccc1)C2 ZINC000027887923 563047978 /nfs/dbraw/zinc/04/79/78/563047978.db2.gz YMKXFOUJNZJIJP-UHFFFAOYSA-N 1 1 432.976 5.926 1 0 IKAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c3ccccc13)CC[N@H+](Cc1ccccc1)C2 ZINC000027887923 563047979 /nfs/dbraw/zinc/04/79/79/563047979.db2.gz YMKXFOUJNZJIJP-UHFFFAOYSA-N 1 1 432.976 5.926 1 0 IKAFMO Nc1sc2c(c1C(=O)c1ccc3c(c1)Cc1ccccc1-3)CC[N@@H+](Cc1ccccc1)C2 ZINC000027900088 563048363 /nfs/dbraw/zinc/04/83/63/563048363.db2.gz NGSIQZKPKODYQS-UHFFFAOYSA-N 1 1 436.580 5.691 1 0 IKAFMO Nc1sc2c(c1C(=O)c1ccc3c(c1)Cc1ccccc1-3)CC[N@H+](Cc1ccccc1)C2 ZINC000027900088 563048364 /nfs/dbraw/zinc/04/83/64/563048364.db2.gz NGSIQZKPKODYQS-UHFFFAOYSA-N 1 1 436.580 5.691 1 0 IKAFMO CCNC(=O)c1ccc(C(c2ccccn2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028386154 563054286 /nfs/dbraw/zinc/05/42/86/563054286.db2.gz GOGHNXCDTHQGMK-PSWAGMNNSA-N 1 1 427.548 5.053 1 0 IKAFMO Cc1ccc(S(=O)(=O)n2cc([C@H]3CC[N@@H+](Cc4ccccc4)C3)c3ccccc32)cc1 ZINC000028526106 563056885 /nfs/dbraw/zinc/05/68/85/563056885.db2.gz KADCFEDAPDSNRT-QFIPXVFZSA-N 1 1 430.573 5.176 1 0 IKAFMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529572 563057338 /nfs/dbraw/zinc/05/73/38/563057338.db2.gz LHMHFHGDMOGAHU-FQEVSTJZSA-N 1 1 430.495 5.438 1 0 IKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 ZINC000028710695 563062655 /nfs/dbraw/zinc/06/26/55/563062655.db2.gz PNZIOQNBQOTGPK-UHFFFAOYSA-N 1 1 429.516 5.499 1 0 in-vivo IKAFMO COc1ccc(C[N@@H+](C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)cc1 ZINC000028710694 563062658 /nfs/dbraw/zinc/06/26/58/563062658.db2.gz HOAWDZNYQXALRG-UHFFFAOYSA-N 1 1 445.515 5.118 1 0 IKAFMO CC[N@H+]1CCC[C@H](Cn2c(=O)c3cc(OC(F)(F)F)ccc3nc2-c2ccccc2C)C1 ZINC000028711888 563062798 /nfs/dbraw/zinc/06/27/98/563062798.db2.gz TYPWWUNYYCVRRR-KRWDZBQOSA-N 1 1 445.485 5.002 1 0 IKAFMO CC[N@@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc2C1 ZINC000028766512 563064112 /nfs/dbraw/zinc/06/41/12/563064112.db2.gz PMVOPWZKALHBOU-XMMPIXPASA-N 1 1 439.596 5.300 1 0 IKAFMO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@H+]1CCCC[C@@H]1C ZINC000028819841 563065270 /nfs/dbraw/zinc/06/52/70/563065270.db2.gz SEHYKDKJFNZRFG-HNNXBMFYSA-N 1 1 449.378 5.416 1 0 IKAFMO CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)C(C)C)ccn32)n1 ZINC000028822176 563065666 /nfs/dbraw/zinc/06/56/66/563065666.db2.gz RJQCSMMLKFIZOH-UHFFFAOYSA-N 1 1 432.547 5.258 1 0 IKAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccnc3)oc21 ZINC000028877939 563067717 /nfs/dbraw/zinc/06/77/17/563067717.db2.gz QTYCTYCQCDIUES-UHFFFAOYSA-N 1 1 430.504 5.079 1 0 IKAFMO CCC[N@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CC1 ZINC000028903413 563069165 /nfs/dbraw/zinc/06/91/65/563069165.db2.gz GWPKTYZQUDYQGW-UHFFFAOYSA-N 1 1 436.003 5.874 1 0 IKAFMO CCC[N@H+](Cc1c(CC)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000028903388 563069267 /nfs/dbraw/zinc/06/92/67/563069267.db2.gz DIQBITBTVLGGJD-UHFFFAOYSA-N 1 1 443.639 6.173 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@@H]2[N@@H+](CC)Cc1ccccc1 ZINC000029054362 563073287 /nfs/dbraw/zinc/07/32/87/563073287.db2.gz KPVVYLNLPPTVJX-NDEPHWFRSA-N 1 1 426.648 7.335 1 0 IKAFMO CCC[N@H+]1C[C@@H]2[C@@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123575 563074001 /nfs/dbraw/zinc/07/40/01/563074001.db2.gz YNPJXHDZWVQOGL-OYUWMTPXSA-N 1 1 433.640 5.011 1 0 IKAFMO CCCN1C[C@@H]2[C@@H](c3ccccc3)CC[C@H]1C[N@@H+]2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123575 563074002 /nfs/dbraw/zinc/07/40/02/563074002.db2.gz YNPJXHDZWVQOGL-OYUWMTPXSA-N 1 1 433.640 5.011 1 0 IKAFMO CCCN1C[C@@H]2[C@@H](c3ccccc3)CC[C@H]1C[N@H+]2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123575 563074003 /nfs/dbraw/zinc/07/40/03/563074003.db2.gz YNPJXHDZWVQOGL-OYUWMTPXSA-N 1 1 433.640 5.011 1 0 IKAFMO Clc1ccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCOCC3)cc2)n2ccnc2)cc1 ZINC000029134909 563076141 /nfs/dbraw/zinc/07/61/41/563076141.db2.gz CZZZCBVEVCYMDS-HHHXNRCGSA-N 1 1 443.978 5.209 1 0 IKAFMO C[N@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000029406536 563079507 /nfs/dbraw/zinc/07/95/07/563079507.db2.gz QZJCKWFHBYEESM-SXOMAYOGSA-N 1 1 448.006 6.141 1 0 IKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000029406533 563079523 /nfs/dbraw/zinc/07/95/23/563079523.db2.gz QZJCKWFHBYEESM-SVBPBHIXSA-N 1 1 448.006 6.141 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000029409831 563079842 /nfs/dbraw/zinc/07/98/42/563079842.db2.gz USIFEXVPSBOAFL-PXDATVDWSA-N 1 1 438.055 7.499 1 0 IKAFMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000029559783 563082319 /nfs/dbraw/zinc/08/23/19/563082319.db2.gz WJLRKZLYCZXLCP-QHCPKHFHSA-N 1 1 443.543 5.110 1 0 IKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccccc2)[nH+]c2ccccn21 ZINC000033692965 563084603 /nfs/dbraw/zinc/08/46/03/563084603.db2.gz WEBVSLIWUHFXPU-UHFFFAOYSA-N 1 1 441.575 6.847 1 0 IKAFMO COc1c2c(c3c(c1OC)C[N@H+](CCC(c1ccccc1)c1ccccc1)CC3)CCC2 ZINC000033826951 563084783 /nfs/dbraw/zinc/08/47/83/563084783.db2.gz SCVGIQWFDLXGKO-UHFFFAOYSA-N 1 1 427.588 5.773 1 0 IKAFMO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000033989800 563085186 /nfs/dbraw/zinc/08/51/86/563085186.db2.gz OVHJBARWJMLZJX-ZYSHUDEJSA-N 1 1 435.178 5.173 1 0 IKAFMO C[N@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000033989800 563085188 /nfs/dbraw/zinc/08/51/88/563085188.db2.gz OVHJBARWJMLZJX-ZYSHUDEJSA-N 1 1 435.178 5.173 1 0 IKAFMO COc1ccc(CCNc2nc(N(C)Cc3ccccc3)c3c(C)cccc3[nH+]2)cc1OC ZINC000033998897 563085232 /nfs/dbraw/zinc/08/52/32/563085232.db2.gz CXEIOBWQFIHHJM-UHFFFAOYSA-N 1 1 442.563 5.246 1 0 IKAFMO C[N@H+]1CCC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000034662032 563086907 /nfs/dbraw/zinc/08/69/07/563086907.db2.gz WOJBHNJZTIILBM-OAQYLSRUSA-N 1 1 445.447 6.295 1 0 IKAFMO O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000034802145 563087593 /nfs/dbraw/zinc/08/75/93/563087593.db2.gz KVCMZPILKHYETB-SANMLTNESA-N 1 1 425.576 5.010 1 0 IKAFMO O=C1CCS[C@@H](c2ccc(Cl)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091167 563089414 /nfs/dbraw/zinc/08/94/14/563089414.db2.gz MHEKJKGYMYWSAJ-NRFANRHFSA-N 1 1 432.376 5.618 1 0 IKAFMO O=S(=O)(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc2ccccc2c1 ZINC000035190802 563089578 /nfs/dbraw/zinc/08/95/78/563089578.db2.gz LOMXLCLJLKVZRK-UHFFFAOYSA-N 1 1 439.968 5.212 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cccs3)cc12 ZINC000035849752 563090158 /nfs/dbraw/zinc/09/01/58/563090158.db2.gz GOXLCLLWYXGIEE-FQEVSTJZSA-N 1 1 440.572 5.611 1 0 IKAFMO O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000036221701 563092100 /nfs/dbraw/zinc/09/21/00/563092100.db2.gz UDWPHJLFGHTIHV-OROMBRFGSA-N 1 1 430.592 6.156 1 0 in-vivo IKAFMO CC[C@@H](C)Sc1ccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382326 563093940 /nfs/dbraw/zinc/09/39/40/563093940.db2.gz MIEHVIMITMKUCV-LJQANCHMSA-N 1 1 431.605 6.821 3 0 IKAFMO Cc1c(-c2ccc3cc(CC[N@@H+]4CCC[C@H]4C)ccc3n2)nnn1-c1ccc(F)cc1F ZINC000038226063 563097086 /nfs/dbraw/zinc/09/70/86/563097086.db2.gz UBKCIYMLUUFSDB-MRXNPFEDSA-N 1 1 433.506 5.096 1 0 IKAFMO OC1(c2cccnc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040394564 563100435 /nfs/dbraw/zinc/10/04/35/563100435.db2.gz IWADOPWWRIXIBC-OOEJVQDLSA-N 1 1 439.386 5.992 1 0 IKAFMO C[N@@H+](CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000040413636 563101965 /nfs/dbraw/zinc/10/19/65/563101965.db2.gz WWMCFXGMXTVOPD-UHFFFAOYSA-N 1 1 441.377 7.141 1 0 IKAFMO CC(C)Nc1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1 ZINC000040567537 563105055 /nfs/dbraw/zinc/10/50/55/563105055.db2.gz JVDKBJMEHYWUSI-UHFFFAOYSA-N 1 1 435.940 5.464 1 0 IKAFMO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040881424 563109809 /nfs/dbraw/zinc/10/98/09/563109809.db2.gz FRMIDCOICRIAHB-NJEHHLDASA-N 1 1 438.398 6.597 1 0 IKAFMO COc1nc2ccc(Br)cc2cc1[C@H](Nc1cccc(C)[nH+]1)c1ccccc1 ZINC000040891871 563109997 /nfs/dbraw/zinc/10/99/97/563109997.db2.gz FNNJEJDSIQRCRH-JOCHJYFZSA-N 1 1 434.337 5.911 1 0 IKAFMO O=C(NCCCCCNc1cc[nH+]c2cc(Cl)ccc12)C12CC3CC(CC(C3)C1)C2 ZINC000040894801 563110305 /nfs/dbraw/zinc/11/03/05/563110305.db2.gz HVTUFNRDXKNMRH-UHFFFAOYSA-N 1 1 426.004 5.803 1 0 IKAFMO COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(CCF)cc1 ZINC000040933328 563112199 /nfs/dbraw/zinc/11/21/99/563112199.db2.gz IHTNOIBAFDUQSS-AIZNXBIQSA-N 1 1 440.559 5.650 1 0 IKAFMO Cc1ccc(C[NH+]2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)o1 ZINC000040954897 563114559 /nfs/dbraw/zinc/11/45/59/563114559.db2.gz XKKURHTXUQVPTG-UHFFFAOYSA-N 1 1 428.580 5.751 1 0 IKAFMO Cc1[nH+]ccn1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1 ZINC000040975745 563115261 /nfs/dbraw/zinc/11/52/61/563115261.db2.gz CACAJKPBVJNEFC-UHFFFAOYSA-N 1 1 438.362 5.753 1 0 IKAFMO CN(CC[NH3+])Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1 ZINC000045166919 563122247 /nfs/dbraw/zinc/12/22/47/563122247.db2.gz VYHLUKZWOKWOFD-UHFFFAOYSA-N 1 1 430.499 5.368 1 0 IKAFMO CC(C)CC[N@H+]1CCCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045168163 563122569 /nfs/dbraw/zinc/12/25/69/563122569.db2.gz WXJMRVURQHEBJE-UHFFFAOYSA-N 1 1 435.637 5.707 1 0 IKAFMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCC[C@@]2(C)C(=O)Nc3cccc(F)c32)CC1 ZINC000045189478 563123213 /nfs/dbraw/zinc/12/32/13/563123213.db2.gz BZVCDKASURXRKD-HHHXNRCGSA-N 1 1 431.555 5.785 1 0 IKAFMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCC[C@]2(C)C(=O)Nc3cccc(F)c32)CC1 ZINC000045189481 563123259 /nfs/dbraw/zinc/12/32/59/563123259.db2.gz BZVCDKASURXRKD-MHZLTWQESA-N 1 1 431.555 5.785 1 0 IKAFMO CC(C)[NH2+]Cc1ccc(-c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000045191118 563123556 /nfs/dbraw/zinc/12/35/56/563123556.db2.gz KCYYMIFLZJIHDF-UHFFFAOYSA-N 1 1 431.561 5.201 1 0 IKAFMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1 ZINC000045191578 563123783 /nfs/dbraw/zinc/12/37/83/563123783.db2.gz IKQCEUSIFNIATQ-XMMPIXPASA-N 1 1 442.538 5.089 1 0 IKAFMO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1 ZINC000045191578 563123785 /nfs/dbraw/zinc/12/37/85/563123785.db2.gz IKQCEUSIFNIATQ-XMMPIXPASA-N 1 1 442.538 5.089 1 0 IKAFMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1 ZINC000045191578 563123786 /nfs/dbraw/zinc/12/37/86/563123786.db2.gz IKQCEUSIFNIATQ-XMMPIXPASA-N 1 1 442.538 5.089 1 0 IKAFMO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccc(O)cc3)CC2)c1)c1cccc(Cl)c1 ZINC000045195213 563124463 /nfs/dbraw/zinc/12/44/63/563124463.db2.gz GAPCBDLSTAUWTI-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3ccc(O)cc3)CC2)c1)c1cccc(Cl)c1 ZINC000045195213 563124465 /nfs/dbraw/zinc/12/44/65/563124465.db2.gz GAPCBDLSTAUWTI-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ccc(O)cc3)CC2)c1)c1cccc(Cl)c1 ZINC000045195213 563124467 /nfs/dbraw/zinc/12/44/67/563124467.db2.gz GAPCBDLSTAUWTI-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO Cc1cc(N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045229441 563126002 /nfs/dbraw/zinc/12/60/02/563126002.db2.gz YCMILAFOOKDIGZ-HXUWFJFHSA-N 1 1 444.421 5.358 1 0 IKAFMO CCCCC[N@H+]1CCCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1 ZINC000045196182 563124603 /nfs/dbraw/zinc/12/46/03/563124603.db2.gz JEYHUMRSIVTCSQ-UHFFFAOYSA-N 1 1 429.608 5.790 1 0 IKAFMO c1ccc2[nH]c(-c3cccc(-c4ccc(CN5CCN(c6cc[nH+]cc6)CC5)cc4)c3)nc2c1 ZINC000045201891 563124773 /nfs/dbraw/zinc/12/47/73/563124773.db2.gz JDDANCOTOCKOQX-UHFFFAOYSA-N 1 1 445.570 5.614 1 0 IKAFMO [NH3+][C@H]1CCN(Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045202090 563124920 /nfs/dbraw/zinc/12/49/20/563124920.db2.gz OEIBHBZHJLETLH-NRFANRHFSA-N 1 1 436.481 5.449 1 0 IKAFMO C[NH2+]CCNCc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1 ZINC000045202197 563124939 /nfs/dbraw/zinc/12/49/39/563124939.db2.gz HELYNPWNVPOJIB-UHFFFAOYSA-N 1 1 430.499 5.286 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@@H+](Cc3ccsc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045202470 563125050 /nfs/dbraw/zinc/12/50/50/563125050.db2.gz BLXGHWCANIXPCW-LJQANCHMSA-N 1 1 430.932 5.446 1 0 IKAFMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000045202539 563125062 /nfs/dbraw/zinc/12/50/62/563125062.db2.gz YCFIVMIIZTVCMP-GDLZYMKVSA-N 1 1 439.603 5.962 1 0 IKAFMO Fc1ccc2nc(-c3ccc(-c4ccc(C[NH2+]CCc5cccnc5)cc4)s3)[nH]c2c1 ZINC000045211387 563125442 /nfs/dbraw/zinc/12/54/42/563125442.db2.gz LDLCHUQLUFXEPP-UHFFFAOYSA-N 1 1 428.536 5.825 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045226992 563125450 /nfs/dbraw/zinc/12/54/50/563125450.db2.gz QZIVSPDRUOWYOF-UHFFFAOYSA-N 1 1 449.664 6.242 1 0 IKAFMO COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCC[C@H]1CCC[N@H+]1C ZINC000045227363 563125536 /nfs/dbraw/zinc/12/55/36/563125536.db2.gz YOKVMHQAQPQLGB-MRXNPFEDSA-N 1 1 446.378 5.364 1 0 IKAFMO C[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)CC1 ZINC000045227737 563125590 /nfs/dbraw/zinc/12/55/90/563125590.db2.gz VPSXKTBJTYCLEP-UHFFFAOYSA-N 1 1 428.511 5.316 1 0 IKAFMO CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)cc2)cc1 ZINC000045228612 563125710 /nfs/dbraw/zinc/12/57/10/563125710.db2.gz JYQMREZYCDQXCW-UHFFFAOYSA-N 1 1 432.571 6.537 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045229667 563125980 /nfs/dbraw/zinc/12/59/80/563125980.db2.gz KLKUAAWQOIOQHU-NRFANRHFSA-N 1 1 442.893 5.524 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045229667 563125982 /nfs/dbraw/zinc/12/59/82/563125982.db2.gz KLKUAAWQOIOQHU-NRFANRHFSA-N 1 1 442.893 5.524 1 0 IKAFMO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](Cc4cccc(C)c4)CC3)cc2)cc1 ZINC000045229847 563125989 /nfs/dbraw/zinc/12/59/89/563125989.db2.gz IWWJZOAUUQPIOP-UHFFFAOYSA-N 1 1 441.619 5.518 1 0 IKAFMO CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(C)c4)CC3)cc2)cc1 ZINC000045229847 563125991 /nfs/dbraw/zinc/12/59/91/563125991.db2.gz IWWJZOAUUQPIOP-UHFFFAOYSA-N 1 1 441.619 5.518 1 0 IKAFMO CNc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)c2)cc1 ZINC000045230193 563126118 /nfs/dbraw/zinc/12/61/18/563126118.db2.gz JGWSHDVBNDTABE-UHFFFAOYSA-N 1 1 438.600 6.598 1 0 IKAFMO Cc1ccccc1C1=CC[N@@H+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000045230181 563126124 /nfs/dbraw/zinc/12/61/24/563126124.db2.gz TUTDIKQOXCCQSB-UHFFFAOYSA-N 1 1 447.047 7.431 1 0 IKAFMO CCCC[N@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045231010 563126185 /nfs/dbraw/zinc/12/61/85/563126185.db2.gz RCEUJUVLDYLQDQ-UHFFFAOYSA-N 1 1 441.619 5.914 1 0 IKAFMO CCC[N@@H+](Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C(C)C ZINC000045253890 563126905 /nfs/dbraw/zinc/12/69/05/563126905.db2.gz WIZAXXRQEUHBHY-UHFFFAOYSA-N 1 1 436.571 5.430 1 0 IKAFMO O=C(C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1 ZINC000045253506 563126942 /nfs/dbraw/zinc/12/69/42/563126942.db2.gz PARDACAPGYVEIK-UHFFFAOYSA-N 1 1 449.598 5.191 1 0 IKAFMO O=C(C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1 ZINC000045253506 563126943 /nfs/dbraw/zinc/12/69/43/563126943.db2.gz PARDACAPGYVEIK-UHFFFAOYSA-N 1 1 449.598 5.191 1 0 IKAFMO CCCNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(C)cc2[nH+]1 ZINC000045257541 563127424 /nfs/dbraw/zinc/12/74/24/563127424.db2.gz HRAUHIORVNXMMW-UHFFFAOYSA-N 1 1 443.526 5.764 1 0 IKAFMO CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccc(C)cc2[nH+]1 ZINC000045289312 563128690 /nfs/dbraw/zinc/12/86/90/563128690.db2.gz FPGLHUFTBYVZPN-UHFFFAOYSA-N 1 1 431.927 5.498 1 0 IKAFMO CN1CCC[N@@H+](Cc2cccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)c2)CC1 ZINC000045301226 563129191 /nfs/dbraw/zinc/12/91/91/563129191.db2.gz MPUJZLGSQOPXIH-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2cccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)c2)CC1 ZINC000045301226 563129192 /nfs/dbraw/zinc/12/91/92/563129192.db2.gz MPUJZLGSQOPXIH-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2cccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)c2)CC1 ZINC000045301226 563129193 /nfs/dbraw/zinc/12/91/93/563129193.db2.gz MPUJZLGSQOPXIH-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO CCCCC[N@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045302000 563129292 /nfs/dbraw/zinc/12/92/92/563129292.db2.gz RKFVWWSXMIFIEG-UHFFFAOYSA-N 1 1 448.438 5.944 1 0 IKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C2CCCCC2)[nH+]c2ccccn21 ZINC000045302189 563129359 /nfs/dbraw/zinc/12/93/59/563129359.db2.gz CJQQCZCYTJRXTO-UHFFFAOYSA-N 1 1 447.623 7.114 1 0 IKAFMO COc1cc2[nH+]c(NCCc3cccc(Cl)c3)nc(NCc3ccccc3)c2cc1OC ZINC000045302298 563129514 /nfs/dbraw/zinc/12/95/14/563129514.db2.gz ZFTJUIQZCXMQGM-UHFFFAOYSA-N 1 1 448.954 5.567 1 0 IKAFMO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@@H+](CCCC[C@]2(C)c3ccccc3NC2=O)CC1 ZINC000045303024 563129700 /nfs/dbraw/zinc/12/97/00/563129700.db2.gz YXNJNZXNYQQCFQ-HHHXNRCGSA-N 1 1 448.010 6.299 1 0 IKAFMO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@@H+](CCCC[C@@]2(C)c3ccccc3NC2=O)CC1 ZINC000045303025 563129703 /nfs/dbraw/zinc/12/97/03/563129703.db2.gz YXNJNZXNYQQCFQ-MHZLTWQESA-N 1 1 448.010 6.299 1 0 IKAFMO CCCCNC(=O)c1ccc2c(c1)[NH+]=C(C[C@H](C)c1ccccc1)N(C1CCCCC1)C2 ZINC000045318816 563130101 /nfs/dbraw/zinc/13/01/01/563130101.db2.gz YITSWFJJNKPVTD-NRFANRHFSA-N 1 1 431.624 6.589 1 0 IKAFMO CC(C)c1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045322028 563130294 /nfs/dbraw/zinc/13/02/94/563130294.db2.gz BARAUASFIAAQHP-UHFFFAOYSA-N 1 1 447.667 6.150 1 0 IKAFMO COc1cccc(-c2csc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccc(C(C)C)cc4)C3)c2)c1 ZINC000045335390 563131301 /nfs/dbraw/zinc/13/13/01/563131301.db2.gz PVIYXJOTFNUKQR-OAQYLSRUSA-N 1 1 448.632 5.799 1 0 IKAFMO CSc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045335380 563131306 /nfs/dbraw/zinc/13/13/06/563131306.db2.gz UQGIMHSSUUVPFC-SFHVURJKSA-N 1 1 440.609 5.528 1 0 IKAFMO C[N@@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000045368119 563133228 /nfs/dbraw/zinc/13/32/28/563133228.db2.gz UHWKQTIBICJKFH-PBWSGDRGSA-N 1 1 441.571 6.101 1 0 IKAFMO CC[N@@H+](CCCCCCN1C(=O)c2cccc3cccc(c32)C1=O)Cc1ccccc1OC ZINC000045497198 563134495 /nfs/dbraw/zinc/13/44/95/563134495.db2.gz DXPIHMLIHBJICH-UHFFFAOYSA-N 1 1 444.575 5.527 1 0 IKAFMO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049020460 563135598 /nfs/dbraw/zinc/13/55/98/563135598.db2.gz FWROZMQRBMGKLZ-UHFFFAOYSA-N 1 1 448.632 5.431 1 0 IKAFMO CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](CCc3ccccc3)[C@@H]1N2C ZINC000049032741 563135833 /nfs/dbraw/zinc/13/58/33/563135833.db2.gz OXUOKFNDWUANFG-BDYUSTAISA-N 1 1 435.612 5.337 1 0 IKAFMO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CC1 ZINC000049049870 563136780 /nfs/dbraw/zinc/13/67/80/563136780.db2.gz NECNAEMRXKFEII-UHFFFAOYSA-N 1 1 434.550 5.991 1 0 IKAFMO O=C(Nc1cc(F)cc(F)c1)N1CCC2(C[N@H+](C3CC3)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000058512239 563143949 /nfs/dbraw/zinc/14/39/49/563143949.db2.gz QUWIYNVUJSOJOP-OAQYLSRUSA-N 1 1 431.914 5.452 1 0 IKAFMO O=C(Nc1cc(F)cc(F)c1)N1CCC2(C[N@@H+](C3CC3)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000058512239 563143950 /nfs/dbraw/zinc/14/39/50/563143950.db2.gz QUWIYNVUJSOJOP-OAQYLSRUSA-N 1 1 431.914 5.452 1 0 IKAFMO C/C=C1\C[N@@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1CC1=NCCc2c3ccccc3[nH]c21 ZINC000058566793 563144551 /nfs/dbraw/zinc/14/45/51/563144551.db2.gz JBQRORTXNDQJOM-UPMLAETCSA-N 1 1 436.603 5.522 1 0 IKAFMO C/C=C1\C[N@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1CC1=NCCc2c3ccccc3[nH]c21 ZINC000058566793 563144552 /nfs/dbraw/zinc/14/45/52/563144552.db2.gz JBQRORTXNDQJOM-UPMLAETCSA-N 1 1 436.603 5.522 1 0 IKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000059260213 563146445 /nfs/dbraw/zinc/14/64/45/563146445.db2.gz TXYHNJMNQMYNTO-KKSFZXQISA-N 1 1 447.410 6.009 1 0 IKAFMO O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1[N@H+]2Cc1ccco1)c1cccnc1 ZINC000061921168 563149149 /nfs/dbraw/zinc/14/91/49/563149149.db2.gz PWRVCNPBEOILGA-RBJSKKJNSA-N 1 1 449.554 5.448 3 0 IKAFMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](CC2CCCCC2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923684 563149571 /nfs/dbraw/zinc/14/95/71/563149571.db2.gz USGPYAHFKCNNKD-ZNZIZOMTSA-N 1 1 434.559 5.014 3 0 IKAFMO Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)C[N@H+]2Cc2cccs2)cc1 ZINC000061923967 563149639 /nfs/dbraw/zinc/14/96/39/563149639.db2.gz QDFZXRNGSGYASW-UBFVSLLYSA-N 1 1 448.567 5.003 3 0 IKAFMO C[C@]1(Oc2cnc(Cl)c3ccccc23)CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000061929965 563150557 /nfs/dbraw/zinc/15/05/57/563150557.db2.gz SXIDRLZLOWXGLJ-SANMLTNESA-N 1 1 429.951 5.994 3 0 IKAFMO O=C(Nc1cc(F)cc(F)c1)N1CCC2(C[N@H+](C3CC3)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000062213055 563152084 /nfs/dbraw/zinc/15/20/84/563152084.db2.gz QUWIYNVUJSOJOP-NRFANRHFSA-N 1 1 431.914 5.452 1 0 IKAFMO O=C(Nc1cc(F)cc(F)c1)N1CCC2(C[N@@H+](C3CC3)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000062213055 563152085 /nfs/dbraw/zinc/15/20/85/563152085.db2.gz QUWIYNVUJSOJOP-NRFANRHFSA-N 1 1 431.914 5.452 1 0 IKAFMO FC(F)(F)c1cccc(CN[C@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066097775 563158003 /nfs/dbraw/zinc/15/80/03/563158003.db2.gz LSCMYPHZDZQLEO-BGYRXZFFSA-N 1 1 430.436 5.915 1 0 IKAFMO CCC[N@@H+]1CCc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000071296144 563161680 /nfs/dbraw/zinc/16/16/80/563161680.db2.gz XLSYPKWYGXDJLB-MUUNZHRXSA-N 1 1 426.560 6.113 1 0 IKAFMO CCC[N@H+]1CCc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000071296144 563161682 /nfs/dbraw/zinc/16/16/82/563161682.db2.gz XLSYPKWYGXDJLB-MUUNZHRXSA-N 1 1 426.560 6.113 1 0 IKAFMO COc1ccc(C(C)C)cc1C[N@@H+]1CCC(=O)[C@@H](C(c2ccccc2)c2ccccc2)C1 ZINC000072106635 563163053 /nfs/dbraw/zinc/16/30/53/563163053.db2.gz GYEWGSQAACBKPX-SANMLTNESA-N 1 1 427.588 6.042 1 0 IKAFMO COc1ccc(C(C)C)cc1C[N@H+]1CCC(=O)[C@@H](C(c2ccccc2)c2ccccc2)C1 ZINC000072106635 563163054 /nfs/dbraw/zinc/16/30/54/563163054.db2.gz GYEWGSQAACBKPX-SANMLTNESA-N 1 1 427.588 6.042 1 0 IKAFMO Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000072142449 563164768 /nfs/dbraw/zinc/16/47/68/563164768.db2.gz MOOQRFHZJWKCHK-ISJGIBHGSA-N 1 1 448.567 5.003 1 0 IKAFMO Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000072142445 563164832 /nfs/dbraw/zinc/16/48/32/563164832.db2.gz MOOQRFHZJWKCHK-GVAUOCQISA-N 1 1 448.567 5.003 1 0 IKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CSc2ccccc2)c1-3 ZINC000072176171 563165592 /nfs/dbraw/zinc/16/55/92/563165592.db2.gz LSKSSWIRNDMQHX-HSZRJFAPSA-N 1 1 429.585 5.917 1 0 IKAFMO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180201 563166728 /nfs/dbraw/zinc/16/67/28/563166728.db2.gz RVZGSHOSWHWPMO-BKMJKUGQSA-N 1 1 431.624 6.441 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](C(C)C)[N@H+](Cc1coc(-c3cccc4ccccc43)n1)CC2 ZINC000072184090 563167779 /nfs/dbraw/zinc/16/77/79/563167779.db2.gz FKLZHIRDMSNGDG-MHZLTWQESA-N 1 1 442.559 6.267 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](C(C)C)[N@@H+](Cc1coc(-c3cccc4ccccc43)n1)CC2 ZINC000072184090 563167780 /nfs/dbraw/zinc/16/77/80/563167780.db2.gz FKLZHIRDMSNGDG-MHZLTWQESA-N 1 1 442.559 6.267 1 0 IKAFMO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184752 563167865 /nfs/dbraw/zinc/16/78/65/563167865.db2.gz YULZIQNVMXNVSA-SQJMNOBHSA-N 1 1 433.596 5.287 1 0 IKAFMO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184749 563167900 /nfs/dbraw/zinc/16/79/00/563167900.db2.gz YULZIQNVMXNVSA-BWKNWUBXSA-N 1 1 433.596 5.287 1 0 IKAFMO FC(F)(F)Oc1ccc(C[NH2+]Cc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC000072186590 563168307 /nfs/dbraw/zinc/16/83/07/563168307.db2.gz OAYCYJQEQYBMPH-UHFFFAOYSA-N 1 1 427.220 5.293 1 0 IKAFMO O=C(N[C@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652302 563174942 /nfs/dbraw/zinc/17/49/42/563174942.db2.gz FPCPPSFMBBGBTO-DMDYGQEQSA-N 1 1 440.647 5.929 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@@H](O)CSc1ccc(C)cc1)CC2 ZINC000084671922 563175504 /nfs/dbraw/zinc/17/55/04/563175504.db2.gz SPLBZGDAJILIPX-AMGIVPHBSA-N 1 1 449.616 5.113 1 0 IKAFMO C[N@@H+](CCOc1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1)Cc1ccc(F)cc1 ZINC000084687971 563175998 /nfs/dbraw/zinc/17/59/98/563175998.db2.gz VVRDULYAPGDIDZ-UHFFFAOYSA-N 1 1 432.539 5.240 1 0 IKAFMO [NH3+]CCN[C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688887 563176126 /nfs/dbraw/zinc/17/61/26/563176126.db2.gz GGZZZDGZFLLSDQ-QFIPXVFZSA-N 1 1 425.601 5.657 1 0 IKAFMO CCN1CC[NH+](Cc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562712 563182741 /nfs/dbraw/zinc/18/27/41/563182741.db2.gz GOBMXPRHAMNLFG-PHPBTLJDSA-N 1 1 428.664 6.172 1 0 IKAFMO COc1ccc(SC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095576144 563185858 /nfs/dbraw/zinc/18/58/58/563185858.db2.gz AVMVPIBHAONRHV-UHFFFAOYSA-N 1 1 434.630 5.479 1 0 IKAFMO Cc1ccc(N2CC[NH+]([C@H](CCc3ccccc3)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000095598823 563192243 /nfs/dbraw/zinc/19/22/43/563192243.db2.gz ACCXHLAPXDCMEO-HHHXNRCGSA-N 1 1 441.619 5.374 3 0 IKAFMO Cc1cc2c(cccc2OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc4ccsc43)C[C@@H]2C)[nH]1 ZINC000095607328 563194153 /nfs/dbraw/zinc/19/41/53/563194153.db2.gz UUKAZYSPDRJOMA-TYPHKJRUSA-N 1 1 434.605 5.699 1 0 IKAFMO COC[C@H]1CCC[N@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273983 563196989 /nfs/dbraw/zinc/19/69/89/563196989.db2.gz IGRKNTYOIZKCPI-RUZDIDTESA-N 1 1 443.616 6.360 1 0 IKAFMO Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 ZINC000096929245 563198445 /nfs/dbraw/zinc/19/84/45/563198445.db2.gz KHNWVNJDETVWJR-HRAATJIYSA-N 1 1 432.395 5.617 1 0 IKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccccn2)cc1 ZINC000096929256 563198525 /nfs/dbraw/zinc/19/85/25/563198525.db2.gz AOYJPGTZUIDPNV-OFVILXPXSA-N 1 1 440.591 5.372 1 0 IKAFMO C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)c(C(F)(F)F)c2)C1 ZINC000096929278 563198548 /nfs/dbraw/zinc/19/85/48/563198548.db2.gz VGDNPABLRMYRRR-DNVCBOLYSA-N 1 1 435.465 5.160 1 0 IKAFMO C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)c(C(F)(F)F)c2)C1 ZINC000096929279 563198589 /nfs/dbraw/zinc/19/85/89/563198589.db2.gz VGDNPABLRMYRRR-HNAYVOBHSA-N 1 1 435.465 5.160 1 0 IKAFMO Cc1ccc([C@H]2SCCC(=O)N2CCCNc2cc[nH+]c3cc(Cl)ccc23)s1 ZINC000098082198 563200473 /nfs/dbraw/zinc/20/04/73/563200473.db2.gz OUVUSZINAHHNQD-OAQYLSRUSA-N 1 1 432.014 5.724 1 0 IKAFMO C[C@H]([C@H]1CC[C@H](C)C[N@H+]1C)[C@@H]1C=C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@]2(C)C1 ZINC000095910562 560058571 /nfs/dbraw/zinc/05/85/71/560058571.db2.gz WMVFFRXSRDHDPV-RYUNACSRSA-N 1 1 429.689 5.119 1 0 biogenic,in-vitro IKAFMO COc1cccc2c1c(OC)cc(OC)c2-c1c(O)cc2c(c1OC)[C@@H](C)[N@H+](C)[C@H](C)C2 ZINC000095486166 560061707 /nfs/dbraw/zinc/06/17/07/560061707.db2.gz QRFJNFHGJBCPFB-HUUCEWRRSA-N 1 1 437.536 5.184 1 0 biogenic,in-vitro IKAFMO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000001659084 562924211 /nfs/dbraw/zinc/92/42/11/562924211.db2.gz NYJQZRBPKNCCPF-AVRDEDQJSA-N 1 1 443.513 5.995 1 0 IKAFMO COC(=O)N1CCC2(CCC[N@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000003956295 562939960 /nfs/dbraw/zinc/93/99/60/562939960.db2.gz KPLXWLHASUYBRD-UHFFFAOYSA-N 1 1 438.412 5.169 1 0 IKAFMO COC(=O)N1CCC2(CCC[N@@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000003956295 562939962 /nfs/dbraw/zinc/93/99/62/562939962.db2.gz KPLXWLHASUYBRD-UHFFFAOYSA-N 1 1 438.412 5.169 1 0 IKAFMO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CC[N@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000004238184 562942758 /nfs/dbraw/zinc/94/27/58/562942758.db2.gz PEEVAEAMTYNBSS-MHZLTWQESA-N 1 1 429.564 5.009 1 0 IKAFMO O=C(c1cccc(F)c1)N1CCC[C@@]2(CC[N@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000004238119 562942785 /nfs/dbraw/zinc/94/27/85/562942785.db2.gz QAWTZUXFYCOZPT-NDEPHWFRSA-N 1 1 428.551 5.543 1 0 IKAFMO O=C1C=C2CC[C@H]3[C@@H]4CC[C@H](Oc5c6ccccc6[nH+]c6ccccc65)[C@H]4CC[C@@H]3[C@H]2CC1 ZINC000005544439 562944105 /nfs/dbraw/zinc/94/41/05/562944105.db2.gz SLWDEDNZLAEPDP-UCHFDKSKSA-N 1 1 437.583 6.887 1 0 IKAFMO CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008017502 562948855 /nfs/dbraw/zinc/94/88/55/562948855.db2.gz QPQYNQCQOPMGRJ-QHCPKHFHSA-N 1 1 440.595 5.461 1 0 IKAFMO c1ccc([C@@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008585826 562950065 /nfs/dbraw/zinc/95/00/65/562950065.db2.gz PMQVAONUMYVHIH-ALQBRSPBSA-N 1 1 448.654 7.150 3 0 IKAFMO O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011936853 562979882 /nfs/dbraw/zinc/97/98/82/562979882.db2.gz WIVRTFMZHXNYOT-NRFANRHFSA-N 1 1 448.586 5.389 3 0 IKAFMO CC(=O)c1ccc2c3c1CCC[C@]3(CCCC[N@@H+]1CC=C(c3ccccc3)CC1)C(=O)N2 ZINC000013473716 562988410 /nfs/dbraw/zinc/98/84/10/562988410.db2.gz CUBVIRNGTGDSLI-NDEPHWFRSA-N 1 1 428.576 5.375 1 0 IKAFMO CC(=O)c1ccc2c3c1CCC[C@@]3(CCCC[N@@H+]1CC=C(c3ccccc3)CC1)C(=O)N2 ZINC000013473717 562988425 /nfs/dbraw/zinc/98/84/25/562988425.db2.gz CUBVIRNGTGDSLI-MUUNZHRXSA-N 1 1 428.576 5.375 1 0 IKAFMO C[C@H]1C[C@@H](c2cc3cc(F)ccc3s2)CC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535659 562992303 /nfs/dbraw/zinc/99/23/03/562992303.db2.gz VXBBUYIZAQUAJB-ZWOKBUDYSA-N 1 1 438.568 5.530 1 0 IKAFMO Cc1cccc2sc([C@@H]3CC[N@@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc21 ZINC000013535676 562992381 /nfs/dbraw/zinc/99/23/81/562992381.db2.gz RBTQWIMQKBKIOV-ZCNNSNEGSA-N 1 1 434.605 5.699 1 0 IKAFMO C[C@H]1C[C@H](c2cc3ccc(F)cc3s2)CC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535695 562992459 /nfs/dbraw/zinc/99/24/59/562992459.db2.gz GOYJQBUTBBQPFC-HQRMLTQVSA-N 1 1 438.568 5.530 1 0 IKAFMO CCC[N@H+](Cc1sc(Nc2c(C)cc(Cl)cc2C)nc1C(F)(F)F)CC1CC1 ZINC000013587344 562995672 /nfs/dbraw/zinc/99/56/72/562995672.db2.gz IRNUWPICFPGYQU-UHFFFAOYSA-N 1 1 431.955 6.798 1 0 IKAFMO CCC[N@H+](Cc1sc(Nc2ccc(OC)cc2OC)nc1C(F)(F)F)CC1CC1 ZINC000013587348 562995678 /nfs/dbraw/zinc/99/56/78/562995678.db2.gz URXZBVXGPOSYQN-UHFFFAOYSA-N 1 1 429.508 5.545 1 0 IKAFMO O=C(NCC/C=C/c1ccccc1)c1ccccc1C[N@@H+]1CCCc2ccc(O)cc2C1 ZINC000013589150 562996249 /nfs/dbraw/zinc/99/62/49/562996249.db2.gz FFBZLGCQGBBDDO-IZZDOVSWSA-N 1 1 426.560 5.174 1 0 IKAFMO C[C@H]1Cc2ccc(O)cc2C[N@@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589147 562996281 /nfs/dbraw/zinc/99/62/81/562996281.db2.gz ARWAMBQDACJJIL-AKERNLMBSA-N 1 1 426.560 5.172 1 0 IKAFMO C[C@H]1Cc2ccc(O)cc2C[N@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589147 562996282 /nfs/dbraw/zinc/99/62/82/562996282.db2.gz ARWAMBQDACJJIL-AKERNLMBSA-N 1 1 426.560 5.172 1 0 IKAFMO Cc1ccc(SC[C@H](c2ccccc2)N2CC[N@@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013661734 562999798 /nfs/dbraw/zinc/99/97/98/562999798.db2.gz FTZOLYIYBDDYHP-HHHXNRCGSA-N 1 1 444.644 5.605 3 0 IKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2cccc3ccccc32)C1 ZINC000013677505 563000691 /nfs/dbraw/zinc/00/06/91/563000691.db2.gz LARCKFZPEUKPOS-IRLDBZIGSA-N 1 1 439.024 5.900 1 0 IKAFMO CCOC(=O)[C@@H]1CCC[N@@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729557 563001705 /nfs/dbraw/zinc/00/17/05/563001705.db2.gz IONXAOIHSBYWRM-LJQANCHMSA-N 1 1 436.379 5.375 1 0 IKAFMO C[N@@H+](CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000013803933 563008221 /nfs/dbraw/zinc/00/82/21/563008221.db2.gz QYIDZGIRYRGUNF-UHFFFAOYSA-N 1 1 442.647 5.822 1 0 IKAFMO C[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000013804576 563008313 /nfs/dbraw/zinc/00/83/13/563008313.db2.gz OVHJBARWJMLZJX-MNEFBYGVSA-N 1 1 435.178 5.173 1 0 IKAFMO C[N@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000013804576 563008314 /nfs/dbraw/zinc/00/83/14/563008314.db2.gz OVHJBARWJMLZJX-MNEFBYGVSA-N 1 1 435.178 5.173 1 0 IKAFMO C[NH+]1CCN(C(=O)/C=C/c2ccc(Sc3ccc(Cl)cc3Cl)c(Cl)c2)CC1 ZINC000013814812 563009238 /nfs/dbraw/zinc/00/92/38/563009238.db2.gz OPVNCZMKIWFYNT-XVNBXDOJSA-N 1 1 441.811 5.585 1 0 IKAFMO COc1ccc([C@@H]2Oc3ccccc3N(CCCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1 ZINC000013834492 563011975 /nfs/dbraw/zinc/01/19/75/563011975.db2.gz IIVFKZRYVBKPLV-UZINWLIJSA-N 1 1 436.596 5.595 1 0 IKAFMO Clc1cccc([C@@H](OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCc2ccccc2)c2ccccc2)c1 ZINC000013861968 563012887 /nfs/dbraw/zinc/01/28/87/563012887.db2.gz OYZKUGKMWYXUJF-VKAIGLIFSA-N 1 1 446.034 7.074 1 0 IKAFMO COc1c(C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)cc(Br)c2ccccc21 ZINC000013862869 563013201 /nfs/dbraw/zinc/01/32/01/563013201.db2.gz CJONMKUBCIENBK-MRXNPFEDSA-N 1 1 445.401 5.138 1 0 IKAFMO Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@H]3CCC[N@H+](C)C3)c2)n2cncc12 ZINC000013981064 563014210 /nfs/dbraw/zinc/01/42/10/563014210.db2.gz CMZVYJMYCACHOM-NRFANRHFSA-N 1 1 441.579 5.477 1 0 IKAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3)oc21 ZINC000013983081 563014255 /nfs/dbraw/zinc/01/42/55/563014255.db2.gz LNYCQEZPPFYNOL-UHFFFAOYSA-N 1 1 429.516 5.684 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(-c5ccccc5)c4)c3)cc12 ZINC000014961765 563016170 /nfs/dbraw/zinc/01/61/70/563016170.db2.gz MIDLLPGHBVGNMV-VWLOTQADSA-N 1 1 434.543 5.549 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(F)(F)F)ccc4F)c3)cc12 ZINC000014961741 563016187 /nfs/dbraw/zinc/01/61/87/563016187.db2.gz CIYJMYQAULVQHO-SFHVURJKSA-N 1 1 444.432 5.040 1 0 IKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1ncc(-c2ccc(Cl)cc2)s1 ZINC000014978587 563017256 /nfs/dbraw/zinc/01/72/56/563017256.db2.gz RUZFACWXYQTPTF-HIUFNZKISA-N 1 1 429.416 6.851 1 0 IKAFMO Clc1ccc(CC[NH2+]CCNC2(c3cc4ccccc4s3)CCCCC2)cc1Cl ZINC000019365716 563022625 /nfs/dbraw/zinc/02/26/25/563022625.db2.gz OJSYGXWHGGTEPQ-UHFFFAOYSA-N 1 1 447.475 6.789 1 0 IKAFMO c1ccc(CCC[NH+]2CCN(CCCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925738 563025927 /nfs/dbraw/zinc/02/59/27/563025927.db2.gz UHSCSAWACVGXHJ-UHFFFAOYSA-N 1 1 441.663 5.724 1 0 IKAFMO C[NH+]1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926937 563026028 /nfs/dbraw/zinc/02/60/28/563026028.db2.gz YMPYNBMELXUYDF-HXUWFJFHSA-N 1 1 446.435 5.230 1 0 IKAFMO C[C@@H]1C[N@H+](CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1 ZINC000022930237 563026220 /nfs/dbraw/zinc/02/62/20/563026220.db2.gz CJLMHMFDXCFFRR-PLQXJYEYSA-N 1 1 439.647 6.212 1 0 IKAFMO C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)[N@H+]1CCCc1ccccc1 ZINC000022930237 563026222 /nfs/dbraw/zinc/02/62/22/563026222.db2.gz CJLMHMFDXCFFRR-PLQXJYEYSA-N 1 1 439.647 6.212 1 0 IKAFMO C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)[N@@H+]1CCCc1ccccc1 ZINC000022930237 563026224 /nfs/dbraw/zinc/02/62/24/563026224.db2.gz CJLMHMFDXCFFRR-PLQXJYEYSA-N 1 1 439.647 6.212 1 0 IKAFMO COc1ccc(CCC[NH+]2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025996662 563028185 /nfs/dbraw/zinc/02/81/85/563028185.db2.gz GWYICQIMZJHISZ-UHFFFAOYSA-N 1 1 428.620 5.468 1 0 IKAFMO C[C@H](CCc1[nH]cc[nH+]1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002778 563028253 /nfs/dbraw/zinc/02/82/53/563028253.db2.gz AUDPHZXRKNUGBV-WCLKLNPZSA-N 1 1 438.700 7.089 1 0 IKAFMO O[C@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1 ZINC000026179029 563029562 /nfs/dbraw/zinc/02/95/62/563029562.db2.gz VCHSYIPRDSWSPA-WYMJOSIYSA-N 1 1 434.530 5.788 1 0 IKAFMO O[C@@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026181445 563029658 /nfs/dbraw/zinc/02/96/58/563029658.db2.gz NQGONAKHHVLXTL-OIKPOIBNSA-N 1 1 434.530 5.788 1 0 IKAFMO O=C1CCCCN1CCCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187921 563029857 /nfs/dbraw/zinc/02/98/57/563029857.db2.gz WALAJAAZARPECC-UKILVPOCSA-N 1 1 439.550 5.067 1 0 IKAFMO C[C@@H]1C[NH+](CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1 ZINC000026577686 563033938 /nfs/dbraw/zinc/03/39/38/563033938.db2.gz KRUBQUVNIYCARV-KAYWLYCHSA-N 1 1 441.663 6.242 1 0 IKAFMO Oc1ccc2c(c1)CCN(Cc1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026657454 563034894 /nfs/dbraw/zinc/03/48/94/563034894.db2.gz GYKURIAKKZGNMS-MUUNZHRXSA-N 1 1 428.576 5.015 1 0 IKAFMO Oc1ccc2c(c1)CCN(Cc1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026657459 563034909 /nfs/dbraw/zinc/03/49/09/563034909.db2.gz GYKURIAKKZGNMS-NDEPHWFRSA-N 1 1 428.576 5.015 1 0 IKAFMO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CCC(N)=O)CC1 ZINC000026665331 563035216 /nfs/dbraw/zinc/03/52/16/563035216.db2.gz ZZHNOVUUFUFNLN-ZWKOTPCHSA-N 1 1 428.617 5.218 1 0 IKAFMO O=C(NCCCC[N@@H+]1CC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026717769 563035547 /nfs/dbraw/zinc/03/55/47/563035547.db2.gz CYBHGHQYVGGXRB-BDYUSTAISA-N 1 1 440.587 5.374 1 0 IKAFMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731116 563035939 /nfs/dbraw/zinc/03/59/39/563035939.db2.gz OYUQYRJYOXLEBN-HXUWFJFHSA-N 1 1 449.595 5.215 1 0 IKAFMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731116 563035941 /nfs/dbraw/zinc/03/59/41/563035941.db2.gz OYUQYRJYOXLEBN-HXUWFJFHSA-N 1 1 449.595 5.215 1 0 IKAFMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731116 563035943 /nfs/dbraw/zinc/03/59/43/563035943.db2.gz OYUQYRJYOXLEBN-HXUWFJFHSA-N 1 1 449.595 5.215 1 0 IKAFMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731116 563035945 /nfs/dbraw/zinc/03/59/45/563035945.db2.gz OYUQYRJYOXLEBN-HXUWFJFHSA-N 1 1 449.595 5.215 1 0 IKAFMO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000027110152 563040082 /nfs/dbraw/zinc/04/00/82/563040082.db2.gz OVHJBARWJMLZJX-AYOQOUSVSA-N 1 1 435.178 5.173 1 0 IKAFMO C[N@H+]1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000027110152 563040083 /nfs/dbraw/zinc/04/00/83/563040083.db2.gz OVHJBARWJMLZJX-AYOQOUSVSA-N 1 1 435.178 5.173 1 0 IKAFMO COc1ccccc1CC[N@H+]1CCC[C@H]1CO[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027192850 563040399 /nfs/dbraw/zinc/04/03/99/563040399.db2.gz NPKPFBNCIVTVGA-BDYUSTAISA-N 1 1 435.995 6.162 1 0 IKAFMO COc1ccccc1CC[N@H+]1CCC[C@H]1CO[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027192854 563040411 /nfs/dbraw/zinc/04/04/11/563040411.db2.gz NPKPFBNCIVTVGA-AHKZPQOWSA-N 1 1 435.995 6.162 1 0 IKAFMO COc1cccc(CC[N@H+]2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027195109 563040511 /nfs/dbraw/zinc/04/05/11/563040511.db2.gz PNLPGVPANALDMI-AHKZPQOWSA-N 1 1 435.995 6.162 1 0 IKAFMO O=C1c2ccccc2C(=O)N1CCCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000027330054 563041695 /nfs/dbraw/zinc/04/16/95/563041695.db2.gz RIJJQSBEJRHVSU-UHFFFAOYSA-N 1 1 447.966 5.377 1 0 IKAFMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccnc1 ZINC000027718314 563045758 /nfs/dbraw/zinc/04/57/58/563045758.db2.gz VWNHIXVNJUPJSK-AREMUKBSSA-N 1 1 433.502 5.176 1 0 IKAFMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccnc1 ZINC000027718314 563045760 /nfs/dbraw/zinc/04/57/60/563045760.db2.gz VWNHIXVNJUPJSK-AREMUKBSSA-N 1 1 433.502 5.176 1 0 IKAFMO Cc1ccc([C@@H](O)CCC[N@@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027730814 563046140 /nfs/dbraw/zinc/04/61/40/563046140.db2.gz LCXSZEFSNFTEGI-NDEPHWFRSA-N 1 1 446.541 6.089 1 0 IKAFMO Cc1ccc([C@@H](O)CCC[N@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027730814 563046141 /nfs/dbraw/zinc/04/61/41/563046141.db2.gz LCXSZEFSNFTEGI-NDEPHWFRSA-N 1 1 446.541 6.089 1 0 IKAFMO CCC[N@@H+](CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028122926 563051134 /nfs/dbraw/zinc/05/11/34/563051134.db2.gz MDVVVKDZMDEZHS-UHFFFAOYSA-N 1 1 446.753 7.098 1 0 IKAFMO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028233983 563051935 /nfs/dbraw/zinc/05/19/35/563051935.db2.gz QNZWMYOSWTXTBZ-UHFFFAOYSA-N 1 1 441.922 5.734 1 0 IKAFMO CCC[N@H+](Cc1c(CC)nc2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028465001 563055275 /nfs/dbraw/zinc/05/52/75/563055275.db2.gz WWUKKAAYBFTUAL-UHFFFAOYSA-N 1 1 446.614 6.527 1 0 IKAFMO CCC(=O)Oc1ccccc1/C=C/C(=O)Oc1cccc([C@@]2(CC)CCCC[N@@H+](C)C2)c1 ZINC000028526563 563056982 /nfs/dbraw/zinc/05/69/82/563056982.db2.gz AFHPKFWIWTYKKF-VHRAYMLOSA-N 1 1 435.564 5.384 1 0 IKAFMO C[C@@H]1CC[N@@H+](CCOc2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)C1 ZINC000028527101 563057073 /nfs/dbraw/zinc/05/70/73/563057073.db2.gz JAVIIUAYGNOEAR-NRZUKODWSA-N 1 1 427.588 5.975 1 0 IKAFMO c1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000028707589 563062185 /nfs/dbraw/zinc/06/21/85/563062185.db2.gz JRLXCUCYQSHCJI-MEKGRNQZSA-N 1 1 444.622 6.869 1 0 IKAFMO c1ccc(-c2ccc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccc(-c5ccccc5)cc3)C4)cc2)cc1 ZINC000028707589 563062186 /nfs/dbraw/zinc/06/21/86/563062186.db2.gz JRLXCUCYQSHCJI-MEKGRNQZSA-N 1 1 444.622 6.869 1 0 IKAFMO c1ccc(-c2ccc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccc(-c5ccccc5)cc3)C4)cc2)cc1 ZINC000028707589 563062187 /nfs/dbraw/zinc/06/21/87/563062187.db2.gz JRLXCUCYQSHCJI-MEKGRNQZSA-N 1 1 444.622 6.869 1 0 IKAFMO COc1ccccc1C[N@@H+](C)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 ZINC000028710691 563062542 /nfs/dbraw/zinc/06/25/42/563062542.db2.gz WGNYJSHONXWUNW-UHFFFAOYSA-N 1 1 445.515 5.118 1 0 IKAFMO CCC[N@@H+](CCCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(ccc3ncccc32)C1 ZINC000028821573 563065389 /nfs/dbraw/zinc/06/53/89/563065389.db2.gz GWEJVOZVKXCEIR-QFIPXVFZSA-N 1 1 431.555 5.894 1 0 IKAFMO Oc1cc(Nc2cc[nH+]c3cc(-c4cc5ccccc5o4)ccc23)ccc1Br ZINC000028823958 563065957 /nfs/dbraw/zinc/06/59/57/563065957.db2.gz SAPRCZLNSVETMH-UHFFFAOYSA-N 1 1 431.289 6.860 1 0 IKAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccn3)oc21 ZINC000028877933 563067698 /nfs/dbraw/zinc/06/76/98/563067698.db2.gz VLMCHIMKCURVRR-UHFFFAOYSA-N 1 1 430.504 5.079 1 0 IKAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccncc3)oc21 ZINC000028877946 563067712 /nfs/dbraw/zinc/06/77/12/563067712.db2.gz KOUIBBIDIWBUAO-UHFFFAOYSA-N 1 1 430.504 5.079 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2[N@@H+]1CCc2ccccc2C1 ZINC000029054679 563073283 /nfs/dbraw/zinc/07/32/83/563073283.db2.gz UJAQFXNVJNHNFX-AREMUKBSSA-N 1 1 426.604 6.318 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2[N@H+]1CCc2ccccc2C1 ZINC000029054679 563073284 /nfs/dbraw/zinc/07/32/84/563073284.db2.gz UJAQFXNVJNHNFX-AREMUKBSSA-N 1 1 426.604 6.318 1 0 IKAFMO C[C@@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000029413208 563079876 /nfs/dbraw/zinc/07/98/76/563079876.db2.gz GAWPNRCSDDMHMR-KDYSTLNUSA-N 1 1 438.055 7.499 1 0 IKAFMO O=C(Nc1ccccc1)OCC[N@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000029554456 563081977 /nfs/dbraw/zinc/08/19/77/563081977.db2.gz ZIMPKIDLFYMSOY-NOZRDPDXSA-N 1 1 449.501 5.523 1 0 IKAFMO O=C(Nc1ccccc1)OCC[N@@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000029554456 563081979 /nfs/dbraw/zinc/08/19/79/563081979.db2.gz ZIMPKIDLFYMSOY-NOZRDPDXSA-N 1 1 449.501 5.523 1 0 IKAFMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000029559779 563082288 /nfs/dbraw/zinc/08/22/88/563082288.db2.gz WJLRKZLYCZXLCP-HSZRJFAPSA-N 1 1 443.543 5.110 1 0 IKAFMO COc1cccc2c1CC[C@@H]([N@@H+](C)CCCCNC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000029568106 563082792 /nfs/dbraw/zinc/08/27/92/563082792.db2.gz FOYUWODSNRINIS-AREMUKBSSA-N 1 1 442.603 5.362 1 0 IKAFMO O=C(Nc1ccc2nccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1)c1ccc(Cl)c(Cl)c1 ZINC000034012812 563085336 /nfs/dbraw/zinc/08/53/36/563085336.db2.gz QYFXAWGBRVJHGG-KRWDZBQOSA-N 1 1 441.362 5.078 1 0 IKAFMO O=C(Nc1ccc2nccc(N3CC[N@H+]4CCC[C@H]4C3)c2c1)c1ccc(Cl)c(Cl)c1 ZINC000034012812 563085337 /nfs/dbraw/zinc/08/53/37/563085337.db2.gz QYFXAWGBRVJHGG-KRWDZBQOSA-N 1 1 441.362 5.078 1 0 IKAFMO CC[N@@H+](CCO)CCCCOc1ccc2c(c1)snc2-c1ccc(Br)cc1 ZINC000034299408 563086088 /nfs/dbraw/zinc/08/60/88/563086088.db2.gz XHOKJNHLSGAYJL-UHFFFAOYSA-N 1 1 449.414 5.199 1 0 in-vitro IKAFMO CC(C)[N@H+]1CCC[C@H](Cn2c3ccccc3nc2CN(C)[C@H]2CCCc3cccnc32)C1 ZINC000034821262 563088142 /nfs/dbraw/zinc/08/81/42/563088142.db2.gz QSKQVYGGIODIIN-OFVILXPXSA-N 1 1 431.628 5.061 1 0 IKAFMO CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000034984450 563088674 /nfs/dbraw/zinc/08/86/74/563088674.db2.gz NYFXIMCEKNFZKB-AREMUKBSSA-N 1 1 442.603 5.170 1 0 IKAFMO O=C(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)c1cccc(Br)c1 ZINC000035190645 563089418 /nfs/dbraw/zinc/08/94/18/563089418.db2.gz NFNDDKFCACOFCT-UHFFFAOYSA-N 1 1 432.749 5.273 1 0 IKAFMO O=C1CS[C@H](c2ccc(Cl)cc2)N1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091137 563089423 /nfs/dbraw/zinc/08/94/23/563089423.db2.gz JRDSSJWOMGESCO-JOCHJYFZSA-N 1 1 446.403 6.008 1 0 IKAFMO O=C1CCS[C@@H](c2ccc(Cl)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091133 563089454 /nfs/dbraw/zinc/08/94/54/563089454.db2.gz NBHUVDNHYBJEMO-QFIPXVFZSA-N 1 1 446.403 6.008 1 0 IKAFMO CCCCCCc1ccc(C(=O)N(C)CCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000035190773 563089527 /nfs/dbraw/zinc/08/95/27/563089527.db2.gz FUXPUCNSYUDTNR-UHFFFAOYSA-N 1 1 438.015 6.585 1 0 IKAFMO CCCCOc1ccc(C(=O)N(C)CCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000035190781 563089574 /nfs/dbraw/zinc/08/95/74/563089574.db2.gz LRYMYEAEVBJZKJ-UHFFFAOYSA-N 1 1 425.960 5.641 1 0 IKAFMO C[C@@H]1CCC[N@H+]1CCc1ccc2nc(-c3c(Cl)n(C)nc3-c3ccccc3)ccc2c1 ZINC000035943806 563090474 /nfs/dbraw/zinc/09/04/74/563090474.db2.gz BHVLKNXTDWOMMA-GOSISDBHSA-N 1 1 430.983 5.983 1 0 IKAFMO O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000036221703 563092129 /nfs/dbraw/zinc/09/21/29/563092129.db2.gz UDWPHJLFGHTIHV-DKRHUIDYSA-N 1 1 430.592 6.156 1 0 in-vivo IKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@H+]3C)cc1 ZINC000036270779 563092452 /nfs/dbraw/zinc/09/24/52/563092452.db2.gz WXEOOMWVKIXGIR-UNFRKHOWSA-N 1 1 447.569 6.646 1 0 IKAFMO CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N@H+]2C ZINC000036271656 563092470 /nfs/dbraw/zinc/09/24/70/563092470.db2.gz WFAGOELXJWLULR-LNRXMEIDSA-N 1 1 448.390 5.514 1 0 IKAFMO COc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1SC1CCCCC1 ZINC000036382294 563093891 /nfs/dbraw/zinc/09/38/91/563093891.db2.gz OEVBFLHEMMCZCN-UHFFFAOYSA-N 1 1 435.637 7.179 3 0 IKAFMO CCCCCCSc1cc(-c2[nH+]c3ccc(Cl)cn3c2NCCCC)ccc1OC ZINC000036382342 563093922 /nfs/dbraw/zinc/09/39/22/563093922.db2.gz LCTWOFKRFCXMHT-UHFFFAOYSA-N 1 1 446.060 7.548 3 0 IKAFMO COc1ccc(-c2ccc(-c3[nH+]c4ccc(C)cn4c3NC3CCCCC3)cc2OC)cc1 ZINC000036382357 563093936 /nfs/dbraw/zinc/09/39/36/563093936.db2.gz OVZZCXMWIOUISW-UHFFFAOYSA-N 1 1 441.575 6.739 3 0 IKAFMO Clc1ccc2[nH+]c(-c3cccc(SC4CCCCC4)c3)c(NCc3ccccc3)n2c1 ZINC000036382339 563093944 /nfs/dbraw/zinc/09/39/44/563093944.db2.gz KAZPEESZOQNROH-UHFFFAOYSA-N 1 1 448.035 7.692 3 0 IKAFMO O=S(=O)(c1cn([C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc12)c1ccccc1 ZINC000038428545 563097632 /nfs/dbraw/zinc/09/76/32/563097632.db2.gz FHULGORNODYESR-JOCHJYFZSA-N 1 1 430.573 5.311 1 0 IKAFMO O=S(=O)(c1cn([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc12)c1ccccc1 ZINC000038428545 563097633 /nfs/dbraw/zinc/09/76/33/563097633.db2.gz FHULGORNODYESR-JOCHJYFZSA-N 1 1 430.573 5.311 1 0 IKAFMO CC[C@@H]1CCC[N@H+]1CN1C(=O)c2cccc3c4oc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040407282 563101445 /nfs/dbraw/zinc/10/14/45/563101445.db2.gz TYGGBXINXDIKGP-QGZVFWFLSA-N 1 1 425.488 5.076 1 0 IKAFMO COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(SC)cc1 ZINC000040411705 563101766 /nfs/dbraw/zinc/10/17/66/563101766.db2.gz HFRLXDFJJCACCZ-WCRBZPEASA-N 1 1 440.609 5.860 1 0 IKAFMO S=c1[nH]c2cccc3c2n1[C@@H](Cc1ccccc1)[C@@H](Cc1ccccc1)[N@@H+](CC1CC1)C3 ZINC000040519786 563104416 /nfs/dbraw/zinc/10/44/16/563104416.db2.gz HKNUJIRUVQCBJX-FTJBHMTQSA-N 1 1 439.628 6.320 1 0 IKAFMO COc1cc2[nH+]c(N(C)CCc3ccccc3)nc(NC3CCCCCC3)c2cc1OC ZINC000040845178 563107319 /nfs/dbraw/zinc/10/73/19/563107319.db2.gz BDRBSUWFRFWYHA-UHFFFAOYSA-N 1 1 434.584 5.461 1 0 IKAFMO COC(=O)c1cc2sc(-c3nc4ccc(C(=[NH2+])NC(C)C)cc4[nH]3)cc2c2ccccc12 ZINC000040873663 563109207 /nfs/dbraw/zinc/10/92/07/563109207.db2.gz GRADIYFSQTULHL-UHFFFAOYSA-N 1 1 442.544 5.708 1 0 IKAFMO CCOC(=O)[C@@](CCC[N@@H+](C)CCCc1nc2ccccc2[nH]1)(c1ccccc1)C(C)C ZINC000040879279 563109629 /nfs/dbraw/zinc/10/96/29/563109629.db2.gz PVDJWOVUBFJXRE-HHHXNRCGSA-N 1 1 435.612 5.365 1 0 IKAFMO OC1(c2cncs2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040879681 563109743 /nfs/dbraw/zinc/10/97/43/563109743.db2.gz KQUFTAYTBYGDSF-QSVWGWLCSA-N 1 1 445.415 6.054 1 0 IKAFMO OC1(c2cncs2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040879681 563109744 /nfs/dbraw/zinc/10/97/44/563109744.db2.gz KQUFTAYTBYGDSF-QSVWGWLCSA-N 1 1 445.415 6.054 1 0 IKAFMO COc1nc2ccc(Br)cc2cc1[C@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000040900809 563111016 /nfs/dbraw/zinc/11/10/16/563111016.db2.gz JWTKVSMSDOXVTM-JOCHJYFZSA-N 1 1 434.337 5.280 1 0 IKAFMO COc1cc2nccc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@@H](C)[NH+](C)C ZINC000040913468 563111072 /nfs/dbraw/zinc/11/10/72/563111072.db2.gz VJCSJCNFHDFCJI-LHRNQBEKSA-N 1 1 442.922 5.224 1 0 IKAFMO CCc1c(C2CC2)[nH+]c2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn21 ZINC000043017454 563116907 /nfs/dbraw/zinc/11/69/07/563116907.db2.gz VRRHMLXYDKDLGS-UHFFFAOYSA-N 1 1 449.476 6.712 1 0 IKAFMO Cc1c(C2CC2)[nH+]c2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)cn12 ZINC000043077606 563118378 /nfs/dbraw/zinc/11/83/78/563118378.db2.gz XYXWZHUJKCFOAH-UHFFFAOYSA-N 1 1 436.437 5.853 1 0 IKAFMO Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(NCCCCc2ccccc2)n1 ZINC000045167385 563122371 /nfs/dbraw/zinc/12/23/71/563122371.db2.gz ARZIPOAQGFHWKE-UHFFFAOYSA-N 1 1 429.612 5.296 1 0 IKAFMO CCCCCCc1cc(OC)c(OC)cc1[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000045168539 563122673 /nfs/dbraw/zinc/12/26/73/563122673.db2.gz JACIUQMSRSDLKE-KRWDZBQOSA-N 1 1 426.988 7.201 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1cccc(CN2CCC[N@H+](Cc3cccc(O)c3)CC2)c1 ZINC000045169002 563122696 /nfs/dbraw/zinc/12/26/96/563122696.db2.gz FOAOZDMQGHQUKK-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1cccc(C[N@H+]2CCCN(Cc3cccc(O)c3)CC2)c1 ZINC000045169002 563122697 /nfs/dbraw/zinc/12/26/97/563122697.db2.gz FOAOZDMQGHQUKK-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1cccc(C[N@@H+]2CCCN(Cc3cccc(O)c3)CC2)c1 ZINC000045169002 563122698 /nfs/dbraw/zinc/12/26/98/563122698.db2.gz FOAOZDMQGHQUKK-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO CC[C@@H](CSC1CCCCC1)N(C)CC[N@@H+](C)[C@@H](CC)CSC1CCCCC1 ZINC000045190140 563123465 /nfs/dbraw/zinc/12/34/65/563123465.db2.gz QUYWUVSZRQBGJS-VXKWHMMOSA-N 1 1 428.796 6.539 1 0 IKAFMO CC[C@H](CSC1CCCCC1)N(C)CC[N@@H+](C)[C@@H](CC)CSC1CCCCC1 ZINC000045190143 563123481 /nfs/dbraw/zinc/12/34/81/563123481.db2.gz QUYWUVSZRQBGJS-SZPZYZBQSA-N 1 1 428.796 6.539 1 0 IKAFMO CC[C@H](CSC1CCCCC1)[N@@H+](C)CCN(C)[C@@H](CC)CSC1CCCCC1 ZINC000045190143 563123482 /nfs/dbraw/zinc/12/34/82/563123482.db2.gz QUYWUVSZRQBGJS-SZPZYZBQSA-N 1 1 428.796 6.539 1 0 IKAFMO CC[C@H](CSC1CCCCC1)[N@H+](C)CCN(C)[C@@H](CC)CSC1CCCCC1 ZINC000045190143 563123483 /nfs/dbraw/zinc/12/34/83/563123483.db2.gz QUYWUVSZRQBGJS-SZPZYZBQSA-N 1 1 428.796 6.539 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000045193119 563123957 /nfs/dbraw/zinc/12/39/57/563123957.db2.gz CMKMXYBWQZNHLI-UHFFFAOYSA-N 1 1 428.020 5.680 1 0 IKAFMO COc1cc(C2CCCCC2)c(OC)cc1C[C@@H]1c2cc(O)c(Cl)cc2CC[N@H+]1C ZINC000045194056 563124170 /nfs/dbraw/zinc/12/41/70/563124170.db2.gz QEOHGLYJOMUWFA-JOCHJYFZSA-N 1 1 429.988 5.882 1 0 IKAFMO COc1cc(C2CCCCC2)c(OC)cc1C[C@@H]1c2cc(O)c(Cl)cc2CC[N@@H+]1C ZINC000045194056 563124171 /nfs/dbraw/zinc/12/41/71/563124171.db2.gz QEOHGLYJOMUWFA-JOCHJYFZSA-N 1 1 429.988 5.882 1 0 IKAFMO Cc1ccc(NC(=O)c2cccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)c2)cc1F ZINC000045194613 563124301 /nfs/dbraw/zinc/12/43/01/563124301.db2.gz BIDVZEYALFMHRY-UHFFFAOYSA-N 1 1 437.603 5.474 1 0 IKAFMO O=S(=O)(Nc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1)c1cccc2cccnc21 ZINC000045196438 563124561 /nfs/dbraw/zinc/12/45/61/563124561.db2.gz OGVDSOHQRCZXQN-UHFFFAOYSA-N 1 1 443.572 5.298 1 0 IKAFMO CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)cc2)cc1 ZINC000045200998 563124594 /nfs/dbraw/zinc/12/45/94/563124594.db2.gz KAYOLLUDGFWNJX-UHFFFAOYSA-N 1 1 438.600 6.598 1 0 IKAFMO Cc1ccc(C(=O)Nc2ccc(Nc3cc[nH+]c4cc(-c5ccccn5)ccc34)cc2O)cc1 ZINC000045201670 563124835 /nfs/dbraw/zinc/12/48/35/563124835.db2.gz APRZTYLGFOVRRT-UHFFFAOYSA-N 1 1 446.510 6.307 1 0 IKAFMO Clc1ccccc1C=Cc1cncnc1Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1 ZINC000045202180 563124873 /nfs/dbraw/zinc/12/48/73/563124873.db2.gz HGZRUEUZLMVXAM-ZHACJKMWSA-N 1 1 437.934 6.511 1 0 IKAFMO CC(C)c1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045202065 563124877 /nfs/dbraw/zinc/12/48/77/563124877.db2.gz ZYYHMIVPUJHESM-FQEVSTJZSA-N 1 1 436.596 5.930 1 0 IKAFMO CC(C)c1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045202062 563124886 /nfs/dbraw/zinc/12/48/86/563124886.db2.gz ZYYHMIVPUJHESM-HXUWFJFHSA-N 1 1 436.596 5.930 1 0 IKAFMO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)cc1 ZINC000045202182 563124915 /nfs/dbraw/zinc/12/49/15/563124915.db2.gz INQHEWDPFZMDTF-UHFFFAOYSA-N 1 1 437.518 6.334 1 0 IKAFMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1 ZINC000045202289 563124934 /nfs/dbraw/zinc/12/49/34/563124934.db2.gz UMHIBFZUHXYLCA-DEOSSOPVSA-N 1 1 442.538 5.089 1 0 IKAFMO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)C1 ZINC000045202289 563124935 /nfs/dbraw/zinc/12/49/35/563124935.db2.gz UMHIBFZUHXYLCA-DEOSSOPVSA-N 1 1 442.538 5.089 1 0 IKAFMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)C1 ZINC000045202289 563124936 /nfs/dbraw/zinc/12/49/36/563124936.db2.gz UMHIBFZUHXYLCA-DEOSSOPVSA-N 1 1 442.538 5.089 1 0 IKAFMO CC[NH+](CC)CCC[C@@H](C)Nc1c2ccccc2ncc1-c1ccc(Br)cc1 ZINC000045202275 563124944 /nfs/dbraw/zinc/12/49/44/563124944.db2.gz UJFNYFYGEZKWLN-GOSISDBHSA-N 1 1 440.429 6.587 1 0 IKAFMO Clc1ccc(CNc2cc[nH+]c(NCc3cccnc3N3CCCC3)n2)c(Cl)c1 ZINC000045202504 563125075 /nfs/dbraw/zinc/12/50/75/563125075.db2.gz YQEXWOKRULXLOZ-UHFFFAOYSA-N 1 1 429.355 5.003 1 0 IKAFMO CCC[N@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045227400 563125532 /nfs/dbraw/zinc/12/55/32/563125532.db2.gz LFFPACLLIJACCP-UHFFFAOYSA-N 1 1 427.592 5.524 1 0 IKAFMO CCCC[N@H+]1CC[C@@H](CC[C@@H](O)c2cc(OCCC)nc3ccc(OC)cc32)[C@@H](CC)C1 ZINC000045228194 563125634 /nfs/dbraw/zinc/12/56/34/563125634.db2.gz NAMCTIVEBSSCFX-LZCXECNNSA-N 1 1 442.644 5.994 1 0 IKAFMO Oc1ccc2[nH]cc(C3CC[NH+](CCCNCc4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000045227664 563125643 /nfs/dbraw/zinc/12/56/43/563125643.db2.gz YJRJBHIZAKXOML-UHFFFAOYSA-N 1 1 439.603 5.900 1 0 IKAFMO c1ccc(COc2ccnc(NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)cc1 ZINC000045228919 563125832 /nfs/dbraw/zinc/12/58/32/563125832.db2.gz ASQUENVVUBKLLO-UHFFFAOYSA-N 1 1 431.580 5.528 1 0 IKAFMO Cc1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)cc2)cc1C ZINC000045229411 563125852 /nfs/dbraw/zinc/12/58/52/563125852.db2.gz JMBTZFGPMFQLLB-UHFFFAOYSA-N 1 1 433.640 5.644 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045229671 563125972 /nfs/dbraw/zinc/12/59/72/563125972.db2.gz KLKUAAWQOIOQHU-OAQYLSRUSA-N 1 1 442.893 5.524 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045229671 563125973 /nfs/dbraw/zinc/12/59/73/563125973.db2.gz KLKUAAWQOIOQHU-OAQYLSRUSA-N 1 1 442.893 5.524 1 0 IKAFMO Nc1[nH+]cnc2c1ccn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000045253544 563126925 /nfs/dbraw/zinc/12/69/25/563126925.db2.gz FYXMAYGAKQLKDH-UHFFFAOYSA-N 1 1 446.820 5.319 1 0 IKAFMO Nc1[nH]c2c(ccnc2-c2cc(Br)c(-c3cccc(-c4ccccc4)c3)[nH]2)[nH+]1 ZINC000045257567 563127422 /nfs/dbraw/zinc/12/74/22/563127422.db2.gz AFUGNEPMHNXKQF-UHFFFAOYSA-N 1 1 430.309 5.632 1 0 IKAFMO CC(C)C[N@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045301992 563129281 /nfs/dbraw/zinc/12/92/81/563129281.db2.gz REIGDXAORIALJJ-UHFFFAOYSA-N 1 1 441.619 5.770 1 0 IKAFMO Fc1ccc2nc(-c3ccc(-c4ccc(C[NH2+]CCc5ccncc5)cc4)s3)[nH]c2c1 ZINC000045302834 563129597 /nfs/dbraw/zinc/12/95/97/563129597.db2.gz XOJQZECPQJYQEL-UHFFFAOYSA-N 1 1 428.536 5.825 1 0 IKAFMO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000045302862 563129681 /nfs/dbraw/zinc/12/96/81/563129681.db2.gz YIFFMCJAMCELCA-YRAWWPLASA-N 1 1 448.394 5.150 1 0 IKAFMO c1ccc(CNCc2ccc(CN3CC[NH2+]CCCCCCc4cccc(c4)C3)cc2)nc1 ZINC000045316624 563129864 /nfs/dbraw/zinc/12/98/64/563129864.db2.gz WPQODPUWGDCTMU-UHFFFAOYSA-N 1 1 442.651 5.080 1 0 IKAFMO Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[N@@H+](C)[C@@H](C)C5)cc34)cc2)o1 ZINC000045323391 563130682 /nfs/dbraw/zinc/13/06/82/563130682.db2.gz IYQODWQEDAWPIT-CALCHBBNSA-N 1 1 444.535 5.177 1 0 IKAFMO Cc1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)cc2)cc1F ZINC000045323984 563130804 /nfs/dbraw/zinc/13/08/04/563130804.db2.gz RXASIHJMQPYSMU-UHFFFAOYSA-N 1 1 437.603 5.474 1 0 IKAFMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21 ZINC000045355154 563132515 /nfs/dbraw/zinc/13/25/15/563132515.db2.gz UOQCESDGUHFPMW-UKILVPOCSA-N 1 1 425.906 5.925 1 0 IKAFMO C[N@@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OC(=O)c1cccs1)c1ccccc1 ZINC000045386122 563133824 /nfs/dbraw/zinc/13/38/24/563133824.db2.gz ZOSWTNNYZMNHNS-CUYJMHBOSA-N 1 1 447.600 6.162 1 0 IKAFMO O=C(Nc1ccc2[nH]cc(C3CC[NH+](CCN4CCCCC4)CC3)c2c1)c1ccc(F)cc1 ZINC000045497842 563134620 /nfs/dbraw/zinc/13/46/20/563134620.db2.gz WUKJFFSFJUWZQU-UHFFFAOYSA-N 1 1 448.586 5.225 1 0 in-vitro IKAFMO c1ccc(C[N@@H+](Cc2ccc(CNCc3ccccn3)cc2)[C@H]2CCCc3cccnc32)cc1 ZINC000049071124 563137795 /nfs/dbraw/zinc/13/77/95/563137795.db2.gz NJDVDIVVFUXOHL-LJAQVGFWSA-N 1 1 448.614 5.846 1 0 IKAFMO c1ccc(C[N@H+](Cc2ccc(CNCc3ccccn3)cc2)[C@H]2CCCc3cccnc32)cc1 ZINC000049071124 563137796 /nfs/dbraw/zinc/13/77/96/563137796.db2.gz NJDVDIVVFUXOHL-LJAQVGFWSA-N 1 1 448.614 5.846 1 0 IKAFMO CCCC[N@H+]1CC[C@@H](CC[C@H](O)c2ccnc3ccc(OCCC(C)C)cc32)[C@@H](CC)C1 ZINC000052996426 563140947 /nfs/dbraw/zinc/14/09/47/563140947.db2.gz PMKWABGHXQZTGO-JWZKTCGFSA-N 1 1 440.672 6.622 1 0 IKAFMO CCCc1nc(-c2ccccc2)c(CNCCC[NH+]2CCN(c3cccc(C)c3C)CC2)o1 ZINC000053297627 563141921 /nfs/dbraw/zinc/14/19/21/563141921.db2.gz WEMHSCWXHCJWNO-UHFFFAOYSA-N 1 1 446.639 5.213 1 0 IKAFMO CC[N@H+]1CC[C@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@H]2C1 ZINC000058589954 563145334 /nfs/dbraw/zinc/14/53/34/563145334.db2.gz UEGULVGUPOVLGQ-QXNWPYRLSA-N 1 1 448.610 6.289 1 0 IKAFMO O=C1Nc2cccc3c2[C@@]1(CCCC[N@@H+]1CC=C(c2c[nH]c4ncccc24)CC1)CCC3 ZINC000059696268 563146612 /nfs/dbraw/zinc/14/66/12/563146612.db2.gz RXGHVKULHGGCKH-HHHXNRCGSA-N 1 1 426.564 5.049 1 0 IKAFMO O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1[N@H+]2Cc1ccco1)c1ccncc1 ZINC000061921163 563149152 /nfs/dbraw/zinc/14/91/52/563149152.db2.gz JOXSSPOBISNYIG-RBJSKKJNSA-N 1 1 449.554 5.448 3 0 IKAFMO Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000061923680 563149555 /nfs/dbraw/zinc/14/95/55/563149555.db2.gz MOOQRFHZJWKCHK-DSITVLBTSA-N 1 1 448.567 5.003 3 0 IKAFMO O[C@@H]1C[N@@H+](CC2CCCCC2)[C@@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923972 563149647 /nfs/dbraw/zinc/14/96/47/563149647.db2.gz NVLOOEBBXPYQSB-TWJOJJKGSA-N 1 1 434.559 5.014 3 0 IKAFMO Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000061923960 563149649 /nfs/dbraw/zinc/14/96/49/563149649.db2.gz OIGNBZIMZUYPRD-ZONZVBGPSA-N 1 1 448.586 5.322 3 0 IKAFMO CC(C)C[N@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000062213047 563152068 /nfs/dbraw/zinc/15/20/68/563152068.db2.gz CRJZLZIFNPMFEE-QFIPXVFZSA-N 1 1 447.957 5.945 1 0 IKAFMO Clc1ccc(C[N@@H+](CCn2ccnc2)CCn2ccnc2-c2ccccc2)c(Cl)c1 ZINC000064510215 563153940 /nfs/dbraw/zinc/15/39/40/563153940.db2.gz KQRHAQXYOXIUTO-UHFFFAOYSA-N 1 1 440.378 5.256 1 0 IKAFMO O=c1cc(-c2ccccc2)oc2cc(OCCC[NH+]3CCN(c4ccccc4)CC3)ccc12 ZINC000066077305 563157677 /nfs/dbraw/zinc/15/76/77/563157677.db2.gz JODYTCTXNHAODA-UHFFFAOYSA-N 1 1 440.543 5.051 1 0 IKAFMO FC(F)(F)c1ccccc1CN[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000066097768 563157969 /nfs/dbraw/zinc/15/79/69/563157969.db2.gz BRSPKADPJUUTJG-BGYRXZFFSA-N 1 1 430.436 5.915 1 0 IKAFMO CCC[N@@H+]1CCc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000071296143 563161661 /nfs/dbraw/zinc/16/16/61/563161661.db2.gz XLSYPKWYGXDJLB-NDEPHWFRSA-N 1 1 426.560 6.113 1 0 IKAFMO CCC[N@H+]1CCc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000071296143 563161663 /nfs/dbraw/zinc/16/16/63/563161663.db2.gz XLSYPKWYGXDJLB-NDEPHWFRSA-N 1 1 426.560 6.113 1 0 IKAFMO FC(F)(F)Oc1ccc(-c2nc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)co2)cc1 ZINC000072142682 563164760 /nfs/dbraw/zinc/16/47/60/563164760.db2.gz KXUZUUIMARWGSN-QPJJXVBHSA-N 1 1 443.469 5.071 1 0 IKAFMO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180199 563166766 /nfs/dbraw/zinc/16/67/66/563166766.db2.gz RVZGSHOSWHWPMO-NVQXNPDNSA-N 1 1 431.624 6.441 1 0 IKAFMO CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072182407 563167428 /nfs/dbraw/zinc/16/74/28/563167428.db2.gz FJBCUMMNSGNIKH-NRFANRHFSA-N 1 1 445.485 5.337 1 0 IKAFMO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184751 563167875 /nfs/dbraw/zinc/16/78/75/563167875.db2.gz YULZIQNVMXNVSA-PXDATVDWSA-N 1 1 433.596 5.287 1 0 IKAFMO CC[C@H](C)[C@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185374 563168074 /nfs/dbraw/zinc/16/80/74/563168074.db2.gz YZYGOZIGGKPNTA-RDPSFJRHSA-N 1 1 433.596 6.218 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](C(C)C)[N@H+](Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185587 563168087 /nfs/dbraw/zinc/16/80/87/563168087.db2.gz NQGUSAYRANBZAO-QHCPKHFHSA-N 1 1 426.944 5.768 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](C(C)C)[N@@H+](Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185587 563168088 /nfs/dbraw/zinc/16/80/88/563168088.db2.gz NQGUSAYRANBZAO-QHCPKHFHSA-N 1 1 426.944 5.768 1 0 IKAFMO CC[N@@H+]1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@H](c3ccc(Cl)cc3)C2C1 ZINC000073316851 563172496 /nfs/dbraw/zinc/17/24/96/563172496.db2.gz RXWPIGBFPHRQQY-MBNYPGIVSA-N 1 1 430.404 5.185 1 0 IKAFMO CC[N@@H+]1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)C2C1 ZINC000073316848 563172519 /nfs/dbraw/zinc/17/25/19/563172519.db2.gz RXWPIGBFPHRQQY-PRDNPTHXSA-N 1 1 430.404 5.185 1 0 IKAFMO CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CC[N@H+]3CC2CC2)C1 ZINC000084671708 563175352 /nfs/dbraw/zinc/17/53/52/563175352.db2.gz PVLNUKRKZJPSBR-UZCYFLASSA-N 1 1 434.624 5.665 1 0 IKAFMO Clc1cccc(N2CCC[N@@H+](CCCOc3ccc4scnc4c3)CC2)c1Cl ZINC000095553137 563180957 /nfs/dbraw/zinc/18/09/57/563180957.db2.gz QVTRXUDCQFWWGV-UHFFFAOYSA-N 1 1 436.408 5.584 1 0 IKAFMO O=C(c1cccc2ccccc21)N(CC[N@@H+]1CC=C(c2ccccc2)CC1)c1ccccn1 ZINC000095554080 563181084 /nfs/dbraw/zinc/18/10/84/563181084.db2.gz NWFGLAPRAYASEM-UHFFFAOYSA-N 1 1 433.555 5.671 1 0 IKAFMO COc1ccccc1N1CCN(Cc2cc(C[NH+]3CCCCC3)c3cccccc2-3)CC1 ZINC000095558121 563181758 /nfs/dbraw/zinc/18/17/58/563181758.db2.gz IOFOPIMDJBEBFZ-UHFFFAOYSA-N 1 1 429.608 5.108 1 0 IKAFMO c1ccc([C@H](c2ccc(CCC[NH+]3CCNCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095561859 563182480 /nfs/dbraw/zinc/18/24/80/563182480.db2.gz NLPCIAQGLDYVHC-PHPBTLJDSA-N 1 1 428.664 5.873 1 0 IKAFMO Nc1c2c([nH+]c3c1[C@H](c1ccc(Cl)c(Cl)c1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095563270 563182846 /nfs/dbraw/zinc/18/28/46/563182846.db2.gz IFYBUPQCUTZITP-JOCHJYFZSA-N 1 1 447.365 7.289 1 0 IKAFMO O=C(Nc1ccccc1)N1CCCC[N@H+]2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095570978 563184433 /nfs/dbraw/zinc/18/44/33/563184433.db2.gz NTFQFSHLJSOGIX-GMQQYTKMSA-N 1 1 445.607 5.101 1 0 IKAFMO S=C(Sc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095572568 563184901 /nfs/dbraw/zinc/18/49/01/563184901.db2.gz FSLZHUZRXIJHDS-UHFFFAOYSA-N 1 1 439.049 6.124 1 0 IKAFMO Cc1ncc(CO)c(-c2[nH+]c3ccccn3c2NC2CCCCC2)c1OCc1ccccc1 ZINC000095574466 563185330 /nfs/dbraw/zinc/18/53/30/563185330.db2.gz WYJFZRSRLZXGGC-UHFFFAOYSA-N 1 1 442.563 5.521 1 0 IKAFMO O=C(N[C@@H]1CC[N@@H+](CCSc2cccc(Cl)c2Cl)C1)c1ccc2ccccc2n1 ZINC000095577843 563186467 /nfs/dbraw/zinc/18/64/67/563186467.db2.gz FUOKCOLCLIHXST-MRXNPFEDSA-N 1 1 446.403 5.138 1 0 IKAFMO O=C(N[C@@H]1CC[N@H+](CCSc2cccc(Cl)c2Cl)C1)c1ccc2ccccc2n1 ZINC000095577843 563186468 /nfs/dbraw/zinc/18/64/68/563186468.db2.gz FUOKCOLCLIHXST-MRXNPFEDSA-N 1 1 446.403 5.138 1 0 IKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000095596582 563191625 /nfs/dbraw/zinc/19/16/25/563191625.db2.gz BPJZFDBWURTXRN-IZZDOVSWSA-N 1 1 428.363 5.953 1 0 IKAFMO O=C(/C=C/c1ccc(Br)cc1)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000095598058 563191978 /nfs/dbraw/zinc/19/19/78/563191978.db2.gz PKUXEPSWVUKCRU-RUDMXATFSA-N 1 1 444.760 5.282 1 0 IKAFMO Cc1cc2c(cccc2OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)C[C@@H]2C)[nH]1 ZINC000095607318 563194127 /nfs/dbraw/zinc/19/41/27/563194127.db2.gz OUZJKCQKRYTCEF-AMDXRBSFSA-N 1 1 428.576 5.637 1 0 IKAFMO C[N@H+]1CCCC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000095605870 563194134 /nfs/dbraw/zinc/19/41/34/563194134.db2.gz FVMGZIMTEZPJGA-NRFANRHFSA-N 1 1 445.447 6.295 1 0 IKAFMO OC[C@@H]1CCCC[N@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273977 563196934 /nfs/dbraw/zinc/19/69/34/563196934.db2.gz CPYIRTLNSVPIRY-VWLOTQADSA-N 1 1 443.616 6.096 1 0 IKAFMO OC[C@H]1CCCC[N@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273976 563196957 /nfs/dbraw/zinc/19/69/57/563196957.db2.gz CPYIRTLNSVPIRY-RUZDIDTESA-N 1 1 443.616 6.096 1 0 IKAFMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000096929243 563198499 /nfs/dbraw/zinc/19/84/99/563198499.db2.gz LVSMVMIVTXOMHK-HRAATJIYSA-N 1 1 432.395 5.617 1 0 IKAFMO CC(C)(C)c1ccc(-c2n[nH]c(SCCC[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000096934136 563199230 /nfs/dbraw/zinc/19/92/30/563199230.db2.gz RBPCAJASKBJPTB-UHFFFAOYSA-N 1 1 435.641 5.074 1 0 IKAFMO Cc1cc2oc(=O)cc(-c3cccc(N)c3)c2c(C)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000096940128 563200140 /nfs/dbraw/zinc/20/01/40/563200140.db2.gz YPQNZMSVZYWEFI-UHFFFAOYSA-N 1 1 440.543 5.158 1 0 IKAFMO O=C1CCS[C@H](c2cccc(O)c2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000098082406 563200561 /nfs/dbraw/zinc/20/05/61/563200561.db2.gz CZLLUQZMCCSZSX-JOCHJYFZSA-N 1 1 427.957 5.060 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccsc3)cc12 ZINC000045385227 581091668 /nfs/dbraw/zinc/09/16/68/581091668.db2.gz VPHOSYHDFSVNET-NRFANRHFSA-N 1 1 440.572 5.611 1 0 IKAFMO CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[N@H+]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000028827235 581096495 /nfs/dbraw/zinc/09/64/95/581096495.db2.gz CGVZBCDNJCIMDM-WSNOQYBDSA-N 1 1 437.534 5.081 1 0 IKAFMO Clc1cccc(N2CC[NH+](C[C@H]3C[C@@H]4c5ccccc5Cc5ccccc5N4O3)CC2)c1 ZINC000013437034 132346835 /nfs/dbraw/zinc/34/68/35/132346835.db2.gz OZETYYSIKGRYTO-SHQCIBLASA-N 1 1 445.994 5.318 1 0 IKAFMO CCC[N@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000000595374 562918442 /nfs/dbraw/zinc/91/84/42/562918442.db2.gz PVMIXKYFNVLMST-UHFFFAOYSA-N 1 1 429.612 5.919 1 0 IKAFMO C[N@@H+](Cc1ccccc1)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000001536443 562922582 /nfs/dbraw/zinc/92/25/82/562922582.db2.gz FMWMUCWMTIOHOR-UHFFFAOYSA-N 1 1 448.545 6.577 1 0 IKAFMO C[N@H+](Cc1ccccc1)Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000001536443 562922583 /nfs/dbraw/zinc/92/25/83/562922583.db2.gz FMWMUCWMTIOHOR-UHFFFAOYSA-N 1 1 448.545 6.577 1 0 IKAFMO C[N@@H+](Cc1ccccc1)Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000001536443 562922584 /nfs/dbraw/zinc/92/25/84/562922584.db2.gz FMWMUCWMTIOHOR-UHFFFAOYSA-N 1 1 448.545 6.577 1 0 IKAFMO OC(CCC[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2)(c1ccccc1)c1ccccc1 ZINC000001641760 562923495 /nfs/dbraw/zinc/92/34/95/562923495.db2.gz WVYHWXIPRDZZRF-FITHBNAOSA-N 1 1 427.588 5.217 1 0 IKAFMO FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000001659079 562924135 /nfs/dbraw/zinc/92/41/35/562924135.db2.gz WKYZJMVWIWKDNY-LAUBAEHRSA-N 1 1 447.932 6.640 1 0 IKAFMO CCCCCC(=O)Oc1ccccc1-c1[nH+]c2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000004753988 562943552 /nfs/dbraw/zinc/94/35/52/562943552.db2.gz YXONHJRVHBHKDQ-UHFFFAOYSA-N 1 1 435.612 7.114 1 0 IKAFMO CC(C)Cc1ccc([C@H](C)C(=O)OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000005138307 562943830 /nfs/dbraw/zinc/94/38/30/562943830.db2.gz JFGXBHHLHQAGRR-FQEVSTJZSA-N 1 1 429.004 5.007 1 0 in-man IKAFMO FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005544498 562944078 /nfs/dbraw/zinc/94/40/78/562944078.db2.gz VYBKTUUDMDGXLT-SIKLNZKXSA-N 1 1 427.514 5.910 1 0 IKAFMO FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005544502 562944126 /nfs/dbraw/zinc/94/41/26/562944126.db2.gz VYBKTUUDMDGXLT-UGKGYDQZSA-N 1 1 427.514 5.910 1 0 IKAFMO C[C@H](CCc1[nH]cc[nH+]1)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000005890473 562945314 /nfs/dbraw/zinc/94/53/14/562945314.db2.gz AUDPHZXRKNUGBV-UYVYZUFXSA-N 1 1 438.700 7.089 1 0 IKAFMO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@H]2C)c(Nc2ccccc2)n1 ZINC000008017426 562948876 /nfs/dbraw/zinc/94/88/76/562948876.db2.gz XTCNVIYDIRTUMB-HXUWFJFHSA-N 1 1 440.595 5.810 1 0 IKAFMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597893 562954103 /nfs/dbraw/zinc/95/41/03/562954103.db2.gz SKTJVYWHOWWHIK-OAQYLSRUSA-N 1 1 437.971 5.140 1 0 IKAFMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)Cc1ccccc1 ZINC000009636608 562974565 /nfs/dbraw/zinc/97/45/65/562974565.db2.gz YOPQCPNKEFBBFI-UHFFFAOYSA-N 1 1 435.999 5.409 1 0 IKAFMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(-c3ccccc3Cl)o1)CCO2 ZINC000012029110 562980482 /nfs/dbraw/zinc/98/04/82/562980482.db2.gz VHBJQIODQZLBSG-SANMLTNESA-N 1 1 446.934 5.471 1 0 IKAFMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc(-c3ccccc3Cl)o1)CCO2 ZINC000012029110 562980484 /nfs/dbraw/zinc/98/04/84/562980484.db2.gz VHBJQIODQZLBSG-SANMLTNESA-N 1 1 446.934 5.471 1 0 IKAFMO O=C1CC[N@@H+](CCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000012474420 562982217 /nfs/dbraw/zinc/98/22/17/562982217.db2.gz LZWVQDGUEMYIHW-SANMLTNESA-N 1 1 444.644 5.167 3 0 IKAFMO Nc1[nH]c2cc3c(cc2[nH+]1)[C@@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 ZINC000013451109 562987362 /nfs/dbraw/zinc/98/73/62/562987362.db2.gz MMVXYUMFIOTUHZ-QFIPXVFZSA-N 1 1 435.574 5.148 1 0 IKAFMO C[N@@H+](CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)CC1CC1 ZINC000013524781 562991530 /nfs/dbraw/zinc/99/15/30/562991530.db2.gz AWRGQZGNUZZAPP-UHFFFAOYSA-N 1 1 444.413 5.961 1 0 IKAFMO O=C(NCCCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1 ZINC000013525841 562991602 /nfs/dbraw/zinc/99/16/02/562991602.db2.gz GWZLKJUHKRQBRB-UHFFFAOYSA-N 1 1 446.378 5.072 1 0 IKAFMO C[C@H]1C[C@H](c2cc3cc(F)ccc3s2)CC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535663 562992326 /nfs/dbraw/zinc/99/23/26/562992326.db2.gz VXBBUYIZAQUAJB-QKLQHJQFSA-N 1 1 438.568 5.530 1 0 IKAFMO C[C@@H]1C[C@@H](c2cc3cc(F)ccc3s2)CC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535666 562992341 /nfs/dbraw/zinc/99/23/41/562992341.db2.gz VXBBUYIZAQUAJB-UWVAXJGDSA-N 1 1 438.568 5.530 1 0 IKAFMO Cc1cc2cc(Nc3ccnc4cc(-c5ccc(C[N@@H+](C)CCO)cc5)sc43)ccc2[nH]1 ZINC000013588193 562995918 /nfs/dbraw/zinc/99/59/18/562995918.db2.gz CIAUVJBQJHPXQG-UHFFFAOYSA-N 1 1 442.588 5.921 1 0 IKAFMO O=C(NCC/C=C/c1ccccc1)c1ccccc1C[N@H+]1CCCc2cc(O)ccc2C1 ZINC000013589151 562996234 /nfs/dbraw/zinc/99/62/34/562996234.db2.gz JZURDOJGJVJIIC-IZZDOVSWSA-N 1 1 426.560 5.174 1 0 IKAFMO C[N@@H+](Cc1ccc(COC(=O)[C@@H](c2ccccc2)C2CCCCC2)o1)Cc1ccccc1 ZINC000013602005 562996879 /nfs/dbraw/zinc/99/68/79/562996879.db2.gz KCHRHVPNTVRPRT-MHZLTWQESA-N 1 1 431.576 6.319 1 0 IKAFMO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc([C@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000013645875 562998736 /nfs/dbraw/zinc/99/87/36/562998736.db2.gz CYKJYRMLQDBGCW-XZOQPEGZSA-N 1 1 430.573 5.373 1 0 IKAFMO CCOC(=O)[C@H]1CCC[N@@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729560 563001713 /nfs/dbraw/zinc/00/17/13/563001713.db2.gz IONXAOIHSBYWRM-IBGZPJMESA-N 1 1 436.379 5.375 1 0 IKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)[N@H+](CCc2ccccc2)CC[C@]314 ZINC000013729844 563001738 /nfs/dbraw/zinc/00/17/38/563001738.db2.gz ZEFONCRJOSMQGI-JKVWPPNKSA-N 1 1 448.566 5.290 1 0 IKAFMO CC[N@@H+](CCCCCC[C@@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738614 563002872 /nfs/dbraw/zinc/00/28/72/563002872.db2.gz AEFFXIUFESKRQO-HXUWFJFHSA-N 1 1 439.596 5.540 1 0 IKAFMO C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC1CC1 ZINC000013781676 563006731 /nfs/dbraw/zinc/00/67/31/563006731.db2.gz UFVWGMRRQSXBLK-HSZRJFAPSA-N 1 1 432.674 5.293 1 0 IKAFMO CC(C)C[C@H](CSc1ccc(Br)cc1)N1CC[N@@H+](CC(C)C)CCC1=O ZINC000013829666 563010905 /nfs/dbraw/zinc/01/09/05/563010905.db2.gz FKMYFACHUJITIR-LJQANCHMSA-N 1 1 441.479 5.146 1 0 IKAFMO CCC[N@@H+]1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013830350 563011017 /nfs/dbraw/zinc/01/10/17/563011017.db2.gz OZCKZSBDMAXLIS-NRFANRHFSA-N 1 1 447.442 5.227 1 0 IKAFMO Cc1ccc(SC[C@@H](c2ccccc2)N2CC[N@@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013830631 563011148 /nfs/dbraw/zinc/01/11/48/563011148.db2.gz FTZOLYIYBDDYHP-MHZLTWQESA-N 1 1 444.644 5.605 1 0 IKAFMO CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CC[N@@H+](CC=C(C)C)C[C@@H]2C)cc1 ZINC000013862308 563013021 /nfs/dbraw/zinc/01/30/21/563013021.db2.gz GJTOJAHUUWXEKP-WNCULLNHSA-N 1 1 433.640 5.983 1 0 IKAFMO COc1ccc2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1 ZINC000014957854 563015938 /nfs/dbraw/zinc/01/59/38/563015938.db2.gz XVXQGSUYHLNMTC-NRFANRHFSA-N 1 1 438.531 5.044 1 0 IKAFMO O=C1CC[N@@H+](Cc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000015937567 563019283 /nfs/dbraw/zinc/01/92/83/563019283.db2.gz OXVIPFYPSAGJTP-VWLOTQADSA-N 1 1 430.617 5.125 3 0 IKAFMO c1ccc(C(OCC[NH+]2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc2)cc1 ZINC000022938643 563026609 /nfs/dbraw/zinc/02/66/09/563026609.db2.gz OWRMIHVAOORXAD-UHFFFAOYSA-N 1 1 437.587 5.159 1 0 IKAFMO Oc1cccc([C@@H](c2ccc(-c3ccccc3)cc2)[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000022939103 563026669 /nfs/dbraw/zinc/02/66/69/563026669.db2.gz LCSYHXZNEVCMEZ-SSEXGKCCSA-N 1 1 434.583 5.966 1 0 IKAFMO Clc1ccc(CCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000022940704 563026810 /nfs/dbraw/zinc/02/68/10/563026810.db2.gz HGYMXYJBQMFVBQ-UHFFFAOYSA-N 1 1 432.222 5.703 1 0 IKAFMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000022939486 563026814 /nfs/dbraw/zinc/02/68/14/563026814.db2.gz AHXMJVFHPCQZOY-DWACAAAGSA-N 1 1 428.620 5.985 1 0 IKAFMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000022939486 563026815 /nfs/dbraw/zinc/02/68/15/563026815.db2.gz AHXMJVFHPCQZOY-DWACAAAGSA-N 1 1 428.620 5.985 1 0 IKAFMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000022939486 563026816 /nfs/dbraw/zinc/02/68/16/563026816.db2.gz AHXMJVFHPCQZOY-DWACAAAGSA-N 1 1 428.620 5.985 1 0 IKAFMO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022939514 563026819 /nfs/dbraw/zinc/02/68/19/563026819.db2.gz PRARFSGCMXWAAS-MUUNZHRXSA-N 1 1 441.619 5.076 1 0 IKAFMO C[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(O)cccc2C1 ZINC000026159500 563029125 /nfs/dbraw/zinc/02/91/25/563029125.db2.gz HFPUZJYAPWLJOL-VWLOTQADSA-N 1 1 428.576 5.059 1 0 IKAFMO O=C1CCCCN1CCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187916 563029816 /nfs/dbraw/zinc/02/98/16/563029816.db2.gz WALAJAAZARPECC-ILBGXUMGSA-N 1 1 439.550 5.067 1 0 IKAFMO Clc1ccc2c(c1)nccc2NCCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000026250459 563030046 /nfs/dbraw/zinc/03/00/46/563030046.db2.gz JBTFFRGMIAACAO-UHFFFAOYSA-N 1 1 425.363 6.784 1 0 IKAFMO Clc1ccccc1N1CC[NH+](CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000026574275 563033537 /nfs/dbraw/zinc/03/35/37/563033537.db2.gz VZNSZPOJWAAUQR-UHFFFAOYSA-N 1 1 446.982 5.474 1 0 IKAFMO Fc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026664141 563035106 /nfs/dbraw/zinc/03/51/06/563035106.db2.gz UAASWCCHNDDVQA-LMSSTIIKSA-N 1 1 428.595 5.921 1 0 IKAFMO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CCC(N)=O)CC1 ZINC000026665342 563035211 /nfs/dbraw/zinc/03/52/11/563035211.db2.gz ZZHNOVUUFUFNLN-ROUUACIJSA-N 1 1 428.617 5.218 1 0 IKAFMO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727625 563035793 /nfs/dbraw/zinc/03/57/93/563035793.db2.gz AGKXRBAYJBHVLK-PZJWPPBQSA-N 1 1 449.595 5.261 1 0 IKAFMO O=C(NCCCC[N@H+]1CCC[C@@H]2c3ccccc3CC[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026727948 563035802 /nfs/dbraw/zinc/03/58/02/563035802.db2.gz OPJTVMKUVYOWNC-FQLXRVMXSA-N 1 1 438.615 6.058 1 0 IKAFMO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727621 563035865 /nfs/dbraw/zinc/03/58/65/563035865.db2.gz AGKXRBAYJBHVLK-TZIWHRDSSA-N 1 1 449.595 5.261 1 0 IKAFMO CC[N@@H+]1[C@@H](c2ccc(-c3cc(S(=O)(=O)CC)ccc3OC)[nH]2)CC[C@H]1c1ccccc1 ZINC000026991305 563038826 /nfs/dbraw/zinc/03/88/26/563038826.db2.gz OVLGSRKGTAEWQF-BJKOFHAPSA-N 1 1 438.593 5.382 1 0 IKAFMO CC[N@H+]1[C@@H](c2ccc(-c3cc(S(=O)(=O)CC)ccc3OC)[nH]2)CC[C@H]1c1ccccc1 ZINC000026991305 563038828 /nfs/dbraw/zinc/03/88/28/563038828.db2.gz OVLGSRKGTAEWQF-BJKOFHAPSA-N 1 1 438.593 5.382 1 0 IKAFMO C[C@H](NC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995548 563038847 /nfs/dbraw/zinc/03/88/47/563038847.db2.gz ZRWAMFWDHTXJIW-LVXARBLLSA-N 1 1 429.007 6.545 1 0 IKAFMO C[N@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000027181982 563040227 /nfs/dbraw/zinc/04/02/27/563040227.db2.gz NQHSMRHMUBKGPZ-BFUOFWGJSA-N 1 1 433.162 5.322 1 0 IKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N@H+]2C ZINC000027214049 563041062 /nfs/dbraw/zinc/04/10/62/563041062.db2.gz XTEKMJCKVNQZRJ-WOZUAGRISA-N 1 1 434.363 5.124 1 0 IKAFMO O=C1c2ccc(F)cc2C(=O)N1CCCCC[N@@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000027407234 563041816 /nfs/dbraw/zinc/04/18/16/563041816.db2.gz XPSGDPNMACULHA-UHFFFAOYSA-N 1 1 449.501 5.002 1 0 IKAFMO C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)[NH+]1CCCc1ccccc1 ZINC000027518466 563042597 /nfs/dbraw/zinc/04/25/97/563042597.db2.gz CJLMHMFDXCFFRR-DQEYMECFSA-N 1 1 439.647 6.212 1 0 IKAFMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@H]4CCc5c(c6ccccc6n5C)C4=O)CC3)c2c1 ZINC000027738803 563046469 /nfs/dbraw/zinc/04/64/69/563046469.db2.gz YIXGURIZOKSKEU-LJQANCHMSA-N 1 1 439.559 5.203 1 0 IKAFMO S=c1[nH]c2cccc3c2n1[C@H](Cc1ccccc1)[C@H](Cc1ccccc1)[N@@H+](CC1CC1)C3 ZINC000027878954 563047761 /nfs/dbraw/zinc/04/77/61/563047761.db2.gz HKNUJIRUVQCBJX-IZZNHLLZSA-N 1 1 439.628 6.320 1 0 IKAFMO CCC[N@H+](Cc1c(CC)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028460310 563054960 /nfs/dbraw/zinc/05/49/60/563054960.db2.gz LERKSHFMGRDTHU-UHFFFAOYSA-N 1 1 428.624 6.388 1 0 IKAFMO Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@H]3CCC[N@H+](C)C3)cc2)n2cncc12 ZINC000028639997 563060054 /nfs/dbraw/zinc/06/00/54/563060054.db2.gz ZMNIUTKMAXSZLK-NRFANRHFSA-N 1 1 441.579 5.477 1 0 IKAFMO c1ccc(-c2cccc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3cccc(-c4ccccc4)c3)c2)cc1 ZINC000028707587 563062180 /nfs/dbraw/zinc/06/21/80/563062180.db2.gz UQKBTCGRCAKCIO-MEKGRNQZSA-N 1 1 444.622 6.869 1 0 IKAFMO c1ccc(-c2cccc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3cccc(-c5ccccc5)c3)C4)c2)cc1 ZINC000028707587 563062181 /nfs/dbraw/zinc/06/21/81/563062181.db2.gz UQKBTCGRCAKCIO-MEKGRNQZSA-N 1 1 444.622 6.869 1 0 IKAFMO c1ccc(-c2cccc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3cccc(-c5ccccc5)c3)C4)c2)cc1 ZINC000028707587 563062182 /nfs/dbraw/zinc/06/21/82/563062182.db2.gz UQKBTCGRCAKCIO-MEKGRNQZSA-N 1 1 444.622 6.869 1 0 IKAFMO COc1cc2cc(-c3ccc(C[N@@H+](C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC ZINC000028710688 563062661 /nfs/dbraw/zinc/06/26/61/563062661.db2.gz XZUBXCWVPOEDDO-UHFFFAOYSA-N 1 1 429.516 5.418 1 0 IKAFMO CC[N@@H+](Cc1ccccc1)Cc1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1 ZINC000028710705 563062686 /nfs/dbraw/zinc/06/26/86/563062686.db2.gz UGVDWCWFPOMOMR-UHFFFAOYSA-N 1 1 429.516 5.499 1 0 IKAFMO CC(C)c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000028711977 563062772 /nfs/dbraw/zinc/06/27/72/563062772.db2.gz ILNPGICYVIKHNL-IBGZPJMESA-N 1 1 437.559 5.572 1 0 IKAFMO CCCOc1ccc(C(=O)OCCCC[N@@H+](CC)[C@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028765305 563063984 /nfs/dbraw/zinc/06/39/84/563063984.db2.gz JZHNSDQUTQLMET-DEOSSOPVSA-N 1 1 439.596 5.300 1 0 IKAFMO C[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000028822071 563065582 /nfs/dbraw/zinc/06/55/82/563065582.db2.gz ZUOWRTNMBWVLDP-UHFFFAOYSA-N 1 1 430.773 6.314 1 0 IKAFMO CC[N@@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCC(C)(C)C)n1 ZINC000028822167 563065656 /nfs/dbraw/zinc/06/56/56/563065656.db2.gz SSEZZDCBYKEBDT-UHFFFAOYSA-N 1 1 446.574 5.507 1 0 IKAFMO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+](C)Cc1ccncc1 ZINC000028903832 563069182 /nfs/dbraw/zinc/06/91/82/563069182.db2.gz OLTBZOFEOKPOBN-UHFFFAOYSA-N 1 1 444.970 5.279 1 0 IKAFMO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)Cc1ccncc1 ZINC000028903832 563069184 /nfs/dbraw/zinc/06/91/84/563069184.db2.gz OLTBZOFEOKPOBN-UHFFFAOYSA-N 1 1 444.970 5.279 1 0 IKAFMO Cc1[nH]nc2c1c(=O)n(C[C@H](F)C[NH3+])c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957088 563070434 /nfs/dbraw/zinc/07/04/34/563070434.db2.gz IHIQFZIHZGMOLT-LJQANCHMSA-N 1 1 438.591 5.578 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2[N@@H+]1CCc2ccc(F)cc2C1 ZINC000029054207 563073270 /nfs/dbraw/zinc/07/32/70/563073270.db2.gz BITMMNNWKLCYEN-SANMLTNESA-N 1 1 444.594 6.457 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2[N@H+]1CCc2ccc(F)cc2C1 ZINC000029054207 563073271 /nfs/dbraw/zinc/07/32/71/563073271.db2.gz BITMMNNWKLCYEN-SANMLTNESA-N 1 1 444.594 6.457 1 0 IKAFMO O[C@H](CCN1CC[N@H+]2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000029056421 563073372 /nfs/dbraw/zinc/07/33/72/563073372.db2.gz GAKAYJNKCDLKCE-HZFUHODCSA-N 1 1 444.594 5.230 1 0 in-vivo IKAFMO C[C@@H](C[N@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000029404703 563079410 /nfs/dbraw/zinc/07/94/10/563079410.db2.gz QAJDQIPEHMCYPC-PWUYWRBVSA-N 1 1 431.664 7.626 1 0 IKAFMO C[C@@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000029409828 563079846 /nfs/dbraw/zinc/07/98/46/563079846.db2.gz USIFEXVPSBOAFL-SQJMNOBHSA-N 1 1 438.055 7.499 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000029413211 563079891 /nfs/dbraw/zinc/07/98/91/563079891.db2.gz GAWPNRCSDDMHMR-JIPXPUAJSA-N 1 1 438.055 7.499 1 0 IKAFMO CCCCOC(=O)[C@]1(c2ccccc2)C[C@@H]1C[N@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C ZINC000029548136 563081830 /nfs/dbraw/zinc/08/18/30/563081830.db2.gz HVDWDRVWLVNZRJ-JTXUGCINSA-N 1 1 447.619 5.218 1 0 IKAFMO CCCC/C=C/C/C=C/CCCCCCCCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000033913588 563084988 /nfs/dbraw/zinc/08/49/88/563084988.db2.gz VHRHCOQFSHKQLI-ROVPTNIISA-N 1 1 431.705 7.608 1 0 IKAFMO O=C1CS[C@H](c2ccc(Cl)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091122 563089437 /nfs/dbraw/zinc/08/94/37/563089437.db2.gz XDOLUWLSRBJHGQ-OAQYLSRUSA-N 1 1 432.376 5.618 1 0 IKAFMO CN(CCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)c1ccc(Br)cc1 ZINC000035190746 563089585 /nfs/dbraw/zinc/08/95/85/563089585.db2.gz UGTIQAWECWYRNV-UHFFFAOYSA-N 1 1 432.749 5.225 1 0 IKAFMO Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(CC[N@@H+]3CCC[C@H]3C)ccc2n1 ZINC000035984391 563090648 /nfs/dbraw/zinc/09/06/48/563090648.db2.gz CNMDDAFIBJNBFQ-QGZVFWFLSA-N 1 1 431.967 6.545 1 0 IKAFMO C[N@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036177272 563091599 /nfs/dbraw/zinc/09/15/99/563091599.db2.gz RRWQOIKRLCJAFP-AGRHKRQWSA-N 1 1 435.178 5.173 1 0 IKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@H+]3C)cc1 ZINC000036270771 563092461 /nfs/dbraw/zinc/09/24/61/563092461.db2.gz SWUYKZCLBQJENR-ZCCUTQAASA-N 1 1 446.034 7.021 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2ccc(Cl)cc2)c1 ZINC000039643438 563099306 /nfs/dbraw/zinc/09/93/06/563099306.db2.gz MJSHPECQCWIOCW-KPGYKUMBSA-N 1 1 440.071 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ZINC000045228541 563125737 /nfs/dbraw/zinc/12/57/37/563125737.db2.gz DYMPEUBOENVHAH-UHFFFAOYSA-N 1 1 448.010 5.609 1 0 IKAFMO Cc1[nH]c2cc(F)ccc2c1C1=CC[N@@H+](CCCC[C@]2(C)c3cccc(F)c3NC2=O)CC1 ZINC000045228929 563125829 /nfs/dbraw/zinc/12/58/29/563125829.db2.gz UWPLSEIKDQMWIO-HHHXNRCGSA-N 1 1 449.545 5.924 1 0 IKAFMO O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000045229564 563125959 /nfs/dbraw/zinc/12/59/59/563125959.db2.gz YCOQUNGLBWMNTP-UHFFFAOYSA-N 1 1 448.876 5.698 1 0 IKAFMO O=C1Nc2cccc3c2[C@]1(CCCCC[N@@H+]1CC=C(c2c[nH]c4ccccc24)CC1)CCC3 ZINC000045230663 563126234 /nfs/dbraw/zinc/12/62/34/563126234.db2.gz YITRFDKXVGYFEH-LJAQVGFWSA-N 1 1 439.603 6.044 1 0 IKAFMO O=C1Nc2cccc3c2[C@@]1(CCCCC[N@@H+]1CC=C(c2c[nH]c4ccccc24)CC1)CCC3 ZINC000045230660 563126240 /nfs/dbraw/zinc/12/62/40/563126240.db2.gz YITRFDKXVGYFEH-GDLZYMKVSA-N 1 1 439.603 6.044 1 0 IKAFMO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000045301735 563129308 /nfs/dbraw/zinc/12/93/08/563129308.db2.gz INUJBOMTBYEIKV-HSZRJFAPSA-N 1 1 427.504 5.042 1 0 IKAFMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000045317813 563130035 /nfs/dbraw/zinc/13/00/35/563130035.db2.gz CNVACQAZJPGNQX-MRXNPFEDSA-N 1 1 444.406 6.136 1 0 IKAFMO C[NH+](C)CCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)o1 ZINC000045321712 563130271 /nfs/dbraw/zinc/13/02/71/563130271.db2.gz IKNPKTVJYFMFKN-UHFFFAOYSA-N 1 1 438.934 5.682 1 0 IKAFMO CC(C)c1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045322085 563130341 /nfs/dbraw/zinc/13/03/41/563130341.db2.gz KNYWTMDGRGSBNL-HXUWFJFHSA-N 1 1 436.596 5.930 1 0 IKAFMO O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000045323615 563130761 /nfs/dbraw/zinc/13/07/61/563130761.db2.gz BTEOLPBPGNWMEQ-MRXNPFEDSA-N 1 1 434.849 5.307 1 0 IKAFMO CC(C)[NH2+]Cc1cccc(-c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)c1 ZINC000045334331 563131034 /nfs/dbraw/zinc/13/10/34/563131034.db2.gz YKVWIROASYGZAS-UHFFFAOYSA-N 1 1 431.561 5.201 1 0 IKAFMO CCCc1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045334495 563131116 /nfs/dbraw/zinc/13/11/16/563131116.db2.gz NVSQPMCPRXMPJT-UHFFFAOYSA-N 1 1 447.667 5.979 1 0 IKAFMO CN1CCC[N@@H+](Cc2cccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2)CC1 ZINC000045334913 563131164 /nfs/dbraw/zinc/13/11/64/563131164.db2.gz QHYAWKYGYNQCKI-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2cccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2)CC1 ZINC000045334913 563131165 /nfs/dbraw/zinc/13/11/65/563131165.db2.gz QHYAWKYGYNQCKI-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2cccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2)CC1 ZINC000045334913 563131166 /nfs/dbraw/zinc/13/11/66/563131166.db2.gz QHYAWKYGYNQCKI-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(C[NH+]5CCCCC5)c4)cc3)[nH]c2c1 ZINC000045335213 563131268 /nfs/dbraw/zinc/13/12/68/563131268.db2.gz MHRMCPAHPCTBBG-UHFFFAOYSA-N 1 1 435.493 6.902 1 0 IKAFMO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](Cc4ccc(C)s4)CC3)cc2)cc1 ZINC000045335576 563131273 /nfs/dbraw/zinc/13/12/73/563131273.db2.gz DNSWTHMJBNREMD-UHFFFAOYSA-N 1 1 447.648 5.579 1 0 IKAFMO O=C1Nc2cccc3c2[C@@]1(CCCCC[NH+]1CCC(c2c[nH]c4ccncc42)CC1)CCC3 ZINC000045336803 563131479 /nfs/dbraw/zinc/13/14/79/563131479.db2.gz NGDMPGBEYGPASA-MUUNZHRXSA-N 1 1 442.607 5.529 1 0 IKAFMO CN1c2ccc(OC(=O)NCC3CCCCC3)cc2[C@]2(C)CC[N@H+](CCc3ccccc3)[C@H]12 ZINC000049033710 563136071 /nfs/dbraw/zinc/13/60/71/563136071.db2.gz OSMWANBXVVPETF-XCZPVHLTSA-N 1 1 447.623 5.337 1 0 IKAFMO CCCC[N@@H+](CC)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049052200 563136944 /nfs/dbraw/zinc/13/69/44/563136944.db2.gz ALENSGWGHGELMK-UHFFFAOYSA-N 1 1 440.941 6.344 1 0 IKAFMO c1ccc(C[N@@H+](Cc2ccc(CNCc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)cc1 ZINC000049071121 563137781 /nfs/dbraw/zinc/13/77/81/563137781.db2.gz NJDVDIVVFUXOHL-GDLZYMKVSA-N 1 1 448.614 5.846 1 0 IKAFMO c1ccc(C[N@H+](Cc2ccc(CNCc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)cc1 ZINC000049071121 563137782 /nfs/dbraw/zinc/13/77/82/563137782.db2.gz NJDVDIVVFUXOHL-GDLZYMKVSA-N 1 1 448.614 5.846 1 0 IKAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21C=C[C@](c2ccccc2)([C@@H]3O5)[C@@H](C(C)(C)C)C1 ZINC000049072516 563137902 /nfs/dbraw/zinc/13/79/02/563137902.db2.gz IVFBHEUGFZPVME-FNOJTLJASA-N 1 1 427.588 5.211 1 0 IKAFMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2N)cc1)Cc1ccc(-c2cccs2)cc1 ZINC000049808002 563140240 /nfs/dbraw/zinc/14/02/40/563140240.db2.gz BRSWNMBVHJCSLC-UHFFFAOYSA-N 1 1 427.573 5.882 1 0 IKAFMO CCCC[N@H+]1CC[C@@H](CC[C@@H](O)c2ccnc3ccc(OCCC(C)C)cc32)[C@@H](CC)C1 ZINC000052996428 563140932 /nfs/dbraw/zinc/14/09/32/563140932.db2.gz PMKWABGHXQZTGO-SXDGJLEOSA-N 1 1 440.672 6.622 1 0 IKAFMO CC(C)[N@H+]1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058502029 563143726 /nfs/dbraw/zinc/14/37/26/563143726.db2.gz IVIJESHEJVFCAI-OAQYLSRUSA-N 1 1 433.930 5.698 1 0 IKAFMO CCCC[N@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000058558779 563144473 /nfs/dbraw/zinc/14/44/73/563144473.db2.gz ONLUPAGVWPDBBI-YMVVMYQSSA-N 1 1 436.640 6.228 1 0 IKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)[N@H+]3C)cc1 ZINC000058575294 563144759 /nfs/dbraw/zinc/14/47/59/563144759.db2.gz SWUYKZCLBQJENR-SXEGYFPYSA-N 1 1 446.034 7.021 1 0 IKAFMO Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H]([N@@H+]2CCC[C@@H]2C)C1 ZINC000059260216 563146411 /nfs/dbraw/zinc/14/64/11/563146411.db2.gz RHEVIGLLTLURAQ-KKSFZXQISA-N 1 1 447.410 6.009 1 0 IKAFMO c1ccc([C@@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059938827 563146920 /nfs/dbraw/zinc/14/69/20/563146920.db2.gz QVEISLUVGUTKAZ-ALQBRSPBSA-N 1 1 442.606 6.770 3 0 IKAFMO CCCCCC[N@H+]1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923851 563149654 /nfs/dbraw/zinc/14/96/54/563149654.db2.gz NLUWSXLDLFCXDE-ZNZIZOMTSA-N 1 1 436.575 5.322 3 0 IKAFMO c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CC[N@@H+]2CC2CC2)nc1 ZINC000071329898 563162391 /nfs/dbraw/zinc/16/23/91/563162391.db2.gz IAKCLNPXVSMCSV-IATMXGELSA-N 1 1 430.621 5.903 1 0 IKAFMO CC(C)c1ccc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334404 563162527 /nfs/dbraw/zinc/16/25/27/563162527.db2.gz BUCKPVPECSLPLN-AQIZGWBQSA-N 1 1 431.649 5.735 1 0 IKAFMO COc1ccc(C(C)C)cc1C[N@@H+]1CCC(=O)[C@H](C(c2ccccc2)c2ccccc2)C1 ZINC000072106634 563163061 /nfs/dbraw/zinc/16/30/61/563163061.db2.gz GYEWGSQAACBKPX-AREMUKBSSA-N 1 1 427.588 6.042 1 0 IKAFMO COc1ccc(C(C)C)cc1C[N@H+]1CCC(=O)[C@H](C(c2ccccc2)c2ccccc2)C1 ZINC000072106634 563163062 /nfs/dbraw/zinc/16/30/62/563163062.db2.gz GYEWGSQAACBKPX-AREMUKBSSA-N 1 1 427.588 6.042 1 0 IKAFMO Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000072139911 563164422 /nfs/dbraw/zinc/16/44/22/563164422.db2.gz UTYLZLRTMAUBIK-VJGNERBWSA-N 1 1 448.586 5.322 1 0 IKAFMO Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000072139913 563164479 /nfs/dbraw/zinc/16/44/79/563164479.db2.gz UTYLZLRTMAUBIK-OYUWMTPXSA-N 1 1 448.586 5.322 1 0 IKAFMO CC[NH2+]Cc1cncc(-c2ccc3[nH]nc(-c4nc5cc(C)c(Cl)cc5[nH]4)c3c2)c1C ZINC000072177891 563166097 /nfs/dbraw/zinc/16/60/97/563166097.db2.gz XYGBLOQEDZWSKT-UHFFFAOYSA-N 1 1 430.943 5.548 1 0 IKAFMO CC[C@@H](C)[C@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184255 563167797 /nfs/dbraw/zinc/16/77/97/563167797.db2.gz XLYFKUYOYSCHFH-XXBNENTESA-N 1 1 435.568 5.064 1 0 IKAFMO O=C(CCCC[N@@H+]1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 ZINC000082151618 563173274 /nfs/dbraw/zinc/17/32/74/563173274.db2.gz QLTASWSCCMMISJ-UHFFFAOYSA-N 1 1 428.001 5.515 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@H](O)CSc1ccccc1C)CC2 ZINC000084690810 563176504 /nfs/dbraw/zinc/17/65/04/563176504.db2.gz OZMKKJGPXDCKLL-CUNXSJBXSA-N 1 1 449.616 5.113 1 0 IKAFMO CCCCNC(=O)c1cc(NC(=O)C[NH+]2CCCC2)ccc1Oc1ccc(C(C)C)cc1 ZINC000084710137 563177331 /nfs/dbraw/zinc/17/73/31/563177331.db2.gz VOBZYKILMXTPBE-UHFFFAOYSA-N 1 1 437.584 5.167 1 0 IKAFMO COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3[nH+]c4c(c(N)c32)CCCC4)c(OC)c1 ZINC000095561504 563182432 /nfs/dbraw/zinc/18/24/32/563182432.db2.gz WVOGNNUVYUMTIT-XMMPIXPASA-N 1 1 438.527 5.999 1 0 IKAFMO CCCCCCSc1ccc(-c2[nH+]c3ccc(C)cn3c2NCCCC)cc1OC ZINC000095566129 563183425 /nfs/dbraw/zinc/18/34/25/563183425.db2.gz XLDDMCPNRZHMAR-UHFFFAOYSA-N 1 1 425.642 7.203 3 0 IKAFMO C[N@@H+](CCCCCCCCOc1ccc(-c2cc3ccccc3o2)cc1)Cc1ccccc1 ZINC000095580166 563187152 /nfs/dbraw/zinc/18/71/52/563187152.db2.gz XJDLLFSQHKHBTJ-UHFFFAOYSA-N 1 1 441.615 7.951 1 0 IKAFMO C[N@H+]1CCCC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000095601479 563192869 /nfs/dbraw/zinc/19/28/69/563192869.db2.gz FVMGZIMTEZPJGA-OAQYLSRUSA-N 1 1 445.447 6.295 1 0 IKAFMO OC[C@@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCC[N@@H+]12 ZINC000095874584 563194786 /nfs/dbraw/zinc/19/47/86/563194786.db2.gz YDYRRCDCXTUINZ-OJTBORJGSA-N 1 1 444.541 5.034 1 0 IKAFMO OC[C@@H]1CCC[N@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273979 563196920 /nfs/dbraw/zinc/19/69/20/563196920.db2.gz RTFDXMCUMYSUSC-DEOSSOPVSA-N 1 1 429.589 5.706 1 0 IKAFMO O[C@@H]1CCC[N@@H+](CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C1 ZINC000096273988 563196982 /nfs/dbraw/zinc/19/69/82/563196982.db2.gz CNRBVGMQUDYZPO-XMMPIXPASA-N 1 1 429.589 5.706 1 0 IKAFMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccccn2)cc1 ZINC000096929257 563198521 /nfs/dbraw/zinc/19/85/21/563198521.db2.gz AOYJPGTZUIDPNV-SQJMNOBHSA-N 1 1 440.591 5.372 1 0 IKAFMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2cccnc2)cc1 ZINC000096929259 563198527 /nfs/dbraw/zinc/19/85/27/563198527.db2.gz OOXBDMODOQZHBO-HFZDXXHNSA-N 1 1 440.591 5.372 1 0 IKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccncc2)cc1 ZINC000096929260 563198573 /nfs/dbraw/zinc/19/85/73/563198573.db2.gz GUICKVKRJDGKHK-LVXARBLLSA-N 1 1 440.591 5.372 1 0 IKAFMO C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(F)(F)F)c2)C1 ZINC000096929276 563198593 /nfs/dbraw/zinc/19/85/93/563198593.db2.gz VQACOJQVPZPBMB-NVXWUHKLSA-N 1 1 435.465 5.160 1 0 IKAFMO O=C1CCS[C@H](c2ccccc2F)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000098082200 563200521 /nfs/dbraw/zinc/20/05/21/563200521.db2.gz RVNTXHHIMGEMRS-JOCHJYFZSA-N 1 1 429.948 5.494 1 0 IKAFMO Nc1nc(-c2ccc(F)cc2)c([C@H]2CC[N@@H+](CCCC(=O)c3ccc(F)cc3)C2)s1 ZINC000000838738 560178773 /nfs/dbraw/zinc/17/87/73/560178773.db2.gz PMIAIKWRXUGRQG-KRWDZBQOSA-N 1 1 427.520 5.123 1 0 in-vitro IKAFMO CCCC[N@@H+](CC)CCNc1cc(C)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000001713764 562924464 /nfs/dbraw/zinc/92/44/64/562924464.db2.gz DGBRCQRVLJXVPQ-UHFFFAOYSA-N 1 1 438.407 5.084 1 0 IKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2ccccc2C1 ZINC000001893047 562925218 /nfs/dbraw/zinc/92/52/18/562925218.db2.gz UJNGTNSLEZLHFI-LJAQVGFWSA-N 1 1 440.631 6.133 1 0 IKAFMO Nc1nc(-c2ccc(F)cc2)c([C@@H]2CC[N@@H+](CCCC(=O)c3ccc(F)cc3)C2)s1 ZINC000003826698 562938986 /nfs/dbraw/zinc/93/89/86/562938986.db2.gz PMIAIKWRXUGRQG-QGZVFWFLSA-N 1 1 427.520 5.123 1 0 in-vitro IKAFMO O=C(c1cccc(F)c1)N1CCC2(CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003956039 562939983 /nfs/dbraw/zinc/93/99/83/562939983.db2.gz ZITCPXFWRWVVKK-UHFFFAOYSA-N 1 1 442.578 5.934 1 0 IKAFMO O=C(Nc1ccc(F)cc1)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000003976344 562940285 /nfs/dbraw/zinc/94/02/85/562940285.db2.gz NKRJCSZTCFOFKV-STWLZBDKSA-N 1 1 441.566 5.600 1 0 IKAFMO C[N@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000003982732 562940308 /nfs/dbraw/zinc/94/03/08/562940308.db2.gz NQHSMRHMUBKGPZ-ORAYPTAESA-N 1 1 433.162 5.322 1 0 IKAFMO COc1ccc(CC[N@H+]2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000003979496 562940355 /nfs/dbraw/zinc/94/03/55/562940355.db2.gz NYJCOVAWVHXMSJ-AHKZPQOWSA-N 1 1 435.995 6.162 1 0 in-vivo IKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)c1ccco1)c2NC(C)(C)CC(C)(C)C ZINC000004157255 562942406 /nfs/dbraw/zinc/94/24/06/562942406.db2.gz GWICRGLBSNFKOB-UHFFFAOYSA-N 1 1 445.563 6.749 1 0 IKAFMO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@@H]2C)c(Nc2ccccc2)n1 ZINC000008017413 562948860 /nfs/dbraw/zinc/94/88/60/562948860.db2.gz XTCNVIYDIRTUMB-FQEVSTJZSA-N 1 1 440.595 5.810 1 0 IKAFMO COc1ccccc1Nc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c2ccccc2n1 ZINC000008595465 562953450 /nfs/dbraw/zinc/95/34/50/562953450.db2.gz FLQCDXPXBHCUJM-UHFFFAOYSA-N 1 1 446.595 5.371 1 0 IKAFMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597792 562954083 /nfs/dbraw/zinc/95/40/83/562954083.db2.gz KRTUKSGRAZZDPW-HXUWFJFHSA-N 1 1 437.971 5.140 1 0 IKAFMO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC000008687035 562962911 /nfs/dbraw/zinc/96/29/11/562962911.db2.gz DYJISWGRVATMET-NXMIGULDSA-N 1 1 439.603 6.103 3 0 IKAFMO CN(C)Cc1ccc(CSCc2cccc(CSCc3ccc(C[NH+](C)C)o3)c2)o1 ZINC000013452606 562987526 /nfs/dbraw/zinc/98/75/26/562987526.db2.gz BTXJVBGYXBCASF-UHFFFAOYSA-N 1 1 444.666 5.863 1 0 IKAFMO Fc1ccc(C(OCCC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013487741 562989433 /nfs/dbraw/zinc/98/94/33/562989433.db2.gz NCRADADLJALGIN-VHRQIYPPSA-N 1 1 447.569 6.904 1 0 IKAFMO C[N@@H+](CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1 ZINC000013519650 562991228 /nfs/dbraw/zinc/99/12/28/562991228.db2.gz WVHKFNAMXDIZSR-UHFFFAOYSA-N 1 1 448.376 5.853 1 0 IKAFMO CCCN(Cc1ccccc1)c1cc(C)[nH+]c2c(-c3ccc(Cl)cc3Cl)cccc12 ZINC000013553461 562992933 /nfs/dbraw/zinc/99/29/33/562992933.db2.gz BPZAIIKWRAQHRZ-UHFFFAOYSA-N 1 1 435.398 7.934 1 0 IKAFMO Cc1cc2c(cccc2OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cc4c(cccc4C)s3)C[C@@H]2C)[nH]1 ZINC000013587191 562995605 /nfs/dbraw/zinc/99/56/05/562995605.db2.gz ZRZHPXBPYCNVBE-HBMCJLEFSA-N 1 1 448.632 6.007 1 0 IKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1 ZINC000013589409 562996410 /nfs/dbraw/zinc/99/64/10/562996410.db2.gz QOZSXRMOBARPHS-OYRHEFFESA-N 1 1 446.591 5.378 1 0 IKAFMO C[N@@H+](Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CCCCC2)o1)Cc1ccccc1 ZINC000013602002 562996876 /nfs/dbraw/zinc/99/68/76/562996876.db2.gz KCHRHVPNTVRPRT-HHHXNRCGSA-N 1 1 431.576 6.319 1 0 IKAFMO O=C(Nc1ccccc1F)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613265 562998092 /nfs/dbraw/zinc/99/80/92/562998092.db2.gz MXFQLVWOVUVANY-AWRGLXIESA-N 1 1 441.566 5.600 1 0 IKAFMO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc(C3=CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000013645870 562998726 /nfs/dbraw/zinc/99/87/26/562998726.db2.gz KXPXHDBGGBQXDQ-QHCPKHFHSA-N 1 1 428.557 5.283 1 0 IKAFMO CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CC[N@@H+](CC(C)C)CCC1=O ZINC000013661676 562999809 /nfs/dbraw/zinc/99/98/09/562999809.db2.gz FKMYFACHUJITIR-IBGZPJMESA-N 1 1 441.479 5.146 3 0 IKAFMO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C/c2ccccc2)c2ccc(F)cc2)cc1 ZINC000013776242 563005849 /nfs/dbraw/zinc/00/58/49/563005849.db2.gz KSAYJCXTSFMAPM-GCNTVVOGSA-N 1 1 445.553 6.780 1 0 IKAFMO O=S1(=O)c2ccccc2-c2ccccc2N1CCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000013823459 563010284 /nfs/dbraw/zinc/01/02/84/563010284.db2.gz CUSNRDWDRXFUFH-UHFFFAOYSA-N 1 1 430.573 5.042 1 0 IKAFMO O=S1(=O)c2cccc3cccc(c23)N1CCC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013826815 563010586 /nfs/dbraw/zinc/01/05/86/563010586.db2.gz ZAOJBQQNRCJZHT-UHFFFAOYSA-N 1 1 443.572 5.009 1 0 IKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@H](c2ccc(Cl)cc2)C1=O ZINC000013834486 563011970 /nfs/dbraw/zinc/01/19/70/563011970.db2.gz LKWOZWCLKKPBJR-OHUGHZGNSA-N 1 1 441.015 6.240 1 0 IKAFMO Clc1cccc([C@H](OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCc2ccccc2)c2ccccc2)c1 ZINC000013861969 563012856 /nfs/dbraw/zinc/01/28/56/563012856.db2.gz OYZKUGKMWYXUJF-WAAVWZAJSA-N 1 1 446.034 7.074 1 0 IKAFMO CCCN1C[C@H](C[N@@H+]2CC=C(c3c[nH]c4ccc(F)cc43)CC2)Oc2c(OC)cccc21 ZINC000013916885 563014036 /nfs/dbraw/zinc/01/40/36/563014036.db2.gz KBGIAHKLLKPEIS-FQEVSTJZSA-N 1 1 435.543 5.082 1 0 IKAFMO COc1ccc(CC[N@H+]2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000013917046 563014060 /nfs/dbraw/zinc/01/40/60/563014060.db2.gz NYJCOVAWVHXMSJ-BDYUSTAISA-N 1 1 435.995 6.162 1 0 in-vivo IKAFMO CC(C)Cn1c(N)[nH+]c2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc21 ZINC000013983392 563014261 /nfs/dbraw/zinc/01/42/61/563014261.db2.gz BRWPFEGMAWRISZ-UHFFFAOYSA-N 1 1 443.501 6.277 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)c(F)c4)c3)cc12 ZINC000014961745 563016209 /nfs/dbraw/zinc/01/62/09/563016209.db2.gz LVEJWDYIDONWTK-KRWDZBQOSA-N 1 1 444.432 5.040 1 0 IKAFMO COc1ccc(-c2cnc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(C)cc3)[N@H+]4C)s2)cc1OC ZINC000014978630 563017245 /nfs/dbraw/zinc/01/72/45/563017245.db2.gz AUJWWBGAFLMMKB-SMTRIPRVSA-N 1 1 434.605 5.870 1 0 IKAFMO COc1ccc([C@@H]2C=CC[N@H+](Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018024271 563022206 /nfs/dbraw/zinc/02/22/06/563022206.db2.gz FZJPBLUXGQUAOK-IDISGSTGSA-N 1 1 444.550 5.365 1 0 IKAFMO COc1ccc([C@@H]2C=CC[N@@H+](Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018024271 563022207 /nfs/dbraw/zinc/02/22/07/563022207.db2.gz FZJPBLUXGQUAOK-IDISGSTGSA-N 1 1 444.550 5.365 1 0 IKAFMO C[NH+]1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926933 563026070 /nfs/dbraw/zinc/02/60/70/563026070.db2.gz YMPYNBMELXUYDF-FQEVSTJZSA-N 1 1 446.435 5.230 1 0 IKAFMO C[N@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000026187519 563029912 /nfs/dbraw/zinc/02/99/12/563029912.db2.gz VGTHXWPAVSKNJJ-MSOLQXFVSA-N 1 1 432.749 5.355 1 0 IKAFMO Fc1ccc(/C=C/CC[N@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026188790 563029976 /nfs/dbraw/zinc/02/99/76/563029976.db2.gz XHWVVKJJQIEKLC-ULBOXCRCSA-N 1 1 434.505 6.517 1 0 IKAFMO Clc1ccc2c(c1)nccc2N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000026252435 563030006 /nfs/dbraw/zinc/03/00/06/563030006.db2.gz LISWOCWHIAZFSB-FGZHOGPDSA-N 1 1 437.374 6.925 1 0 IKAFMO Clc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC000026653897 563034698 /nfs/dbraw/zinc/03/46/98/563034698.db2.gz AIBUJZOURZLWNC-XCZPVHLTSA-N 1 1 445.050 6.435 1 0 IKAFMO COc1ccc(-c2c(CC(C)C)c(C)[nH+]c3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000026674186 563035433 /nfs/dbraw/zinc/03/54/33/563035433.db2.gz LBLBHUUKNDJEJI-UHFFFAOYSA-N 1 1 425.525 5.452 1 0 IKAFMO O=C(NCCCC[N@H+]1CCC[C@@H]2c3ccccc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026719584 563035524 /nfs/dbraw/zinc/03/55/24/563035524.db2.gz OPJTVMKUVYOWNC-WDYNHAJCSA-N 1 1 438.615 6.058 1 0 IKAFMO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727635 563035849 /nfs/dbraw/zinc/03/58/49/563035849.db2.gz AGKXRBAYJBHVLK-FPOVZHCZSA-N 1 1 449.595 5.261 1 0 IKAFMO COC(=O)[C@H]1C[N@@H+](CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 ZINC000026935064 563037806 /nfs/dbraw/zinc/03/78/06/563037806.db2.gz JTLQFFOFUPIHPT-SXOMAYOGSA-N 1 1 448.006 6.141 1 0 IKAFMO COc1cccc(CN(CCC[N@@H+]2C=CC=CC=CC2)c2cc(-c3ccccc3)no2)c1 ZINC000026978096 563038492 /nfs/dbraw/zinc/03/84/92/563038492.db2.gz COVGJOXMRYTEEO-UHFFFAOYSA-N 1 1 427.548 5.689 1 0 IKAFMO C[C@H](NC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995536 563038850 /nfs/dbraw/zinc/03/88/50/563038850.db2.gz ZRWAMFWDHTXJIW-HFZDXXHNSA-N 1 1 429.007 6.545 1 0 IKAFMO C[N@H+]1CCCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000027203903 563040697 /nfs/dbraw/zinc/04/06/97/563040697.db2.gz PDIHJJKJNCYFNK-IZZNHLLZSA-N 1 1 448.588 5.207 1 0 IKAFMO Cc1ccc2c(c1)C(=O)N(CCCCC[N@@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027330058 563041735 /nfs/dbraw/zinc/04/17/35/563041735.db2.gz QDSYGDXQPACKLI-UHFFFAOYSA-N 1 1 445.538 5.171 1 0 IKAFMO CCCC[N@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518427 563042601 /nfs/dbraw/zinc/04/26/01/563042601.db2.gz ONLUPAGVWPDBBI-DSBYRVASSA-N 1 1 436.640 6.228 1 0 IKAFMO O=C1CC2(CCCC2)CC(=O)N1CCCC[N@@H+]1CCc2c(Cl)ccc3c2[C@H](CCC3)C1 ZINC000027721137 563045864 /nfs/dbraw/zinc/04/58/64/563045864.db2.gz IVXZXHVIIMPLMA-HXUWFJFHSA-N 1 1 443.031 5.108 1 0 IKAFMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000027726037 563045991 /nfs/dbraw/zinc/04/59/91/563045991.db2.gz LITJZIGKHVGYFL-MHZLTWQESA-N 1 1 432.514 5.781 1 0 IKAFMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000027726037 563045993 /nfs/dbraw/zinc/04/59/93/563045993.db2.gz LITJZIGKHVGYFL-MHZLTWQESA-N 1 1 432.514 5.781 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](CC[N@@H+]1CC=C(c3ccc(Cl)cc3)CC1)OCCC2 ZINC000027729107 563046068 /nfs/dbraw/zinc/04/60/68/563046068.db2.gz YTDIYABRBKRUNH-QHCPKHFHSA-N 1 1 427.972 5.541 1 0 IKAFMO COc1cc2c(cc1OC)[C@@H](CC[N@@H+]1CC=C(c3ccc(Cl)cc3)CC1)OCCC2 ZINC000027729114 563046091 /nfs/dbraw/zinc/04/60/91/563046091.db2.gz YTDIYABRBKRUNH-HSZRJFAPSA-N 1 1 427.972 5.541 1 0 IKAFMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027732453 563046187 /nfs/dbraw/zinc/04/61/87/563046187.db2.gz TVVIIUQNFRQZBO-HHHXNRCGSA-N 1 1 432.514 5.781 1 0 IKAFMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027732453 563046189 /nfs/dbraw/zinc/04/61/89/563046189.db2.gz TVVIIUQNFRQZBO-HHHXNRCGSA-N 1 1 432.514 5.781 1 0 IKAFMO Cc1cc(C(=O)c2c(N)sc3c2CC[N@H+](Cc2ccccc2)C3)cc2ccc(Cl)cc12 ZINC000027890653 563048089 /nfs/dbraw/zinc/04/80/89/563048089.db2.gz CHCLSQMVRDENHR-UHFFFAOYSA-N 1 1 447.003 6.235 1 0 IKAFMO Cc1cc(C(=O)c2c(N)sc3c2CC[N@@H+](Cc2ccccc2)C3)cc2ccc(Cl)cc12 ZINC000027890653 563048090 /nfs/dbraw/zinc/04/80/90/563048090.db2.gz CHCLSQMVRDENHR-UHFFFAOYSA-N 1 1 447.003 6.235 1 0 IKAFMO O=S(=O)(c1ccccc1)n1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC000028134365 563051441 /nfs/dbraw/zinc/05/14/41/563051441.db2.gz SRWMFYMQNVTDDC-UHFFFAOYSA-N 1 1 428.557 5.168 1 0 IKAFMO CCNC(=O)c1ccc(C(c2c(C)noc2C)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028371767 563053866 /nfs/dbraw/zinc/05/38/66/563053866.db2.gz FLUSIOJERFHVHM-PSWAGMNNSA-N 1 1 445.563 5.263 1 0 IKAFMO CN1CC[NH+](CCCOc2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)no3)cc2)CC1 ZINC000028375365 563053969 /nfs/dbraw/zinc/05/39/69/563053969.db2.gz JAYXOYIRNYUIMZ-UHFFFAOYSA-N 1 1 445.485 5.044 1 0 IKAFMO Clc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3CCCOc2cccc3[nH]ccc32)cc1Cl ZINC000028384293 563054162 /nfs/dbraw/zinc/05/41/62/563054162.db2.gz WCYNKWZHPZSXCS-MOPGFXCFSA-N 1 1 427.375 6.564 1 0 IKAFMO COC(=O)c1ccc(CN2CCC[N@@H+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028391733 563054491 /nfs/dbraw/zinc/05/44/91/563054491.db2.gz RPZKIBRHAZXGAM-UHFFFAOYSA-N 1 1 442.603 5.203 1 0 IKAFMO CCNC(=O)c1ccc(C(c2cccnc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028394913 563054611 /nfs/dbraw/zinc/05/46/11/563054611.db2.gz IYJWIHQKUAXSKS-PLQXJYEYSA-N 1 1 427.548 5.053 1 0 IKAFMO Cc1ccc(OCc2ccccc2)c([C@@H](CC[N@@H+]2C[C@]3(C)C[C@]3(C)C2)c2ccccc2)c1 ZINC000028477393 563055857 /nfs/dbraw/zinc/05/58/57/563055857.db2.gz LYPDKARLUOPFRO-BHBSRLOASA-N 1 1 425.616 6.828 1 0 IKAFMO Clc1ccc(COc2ccc(C=Cc3cc(C4CC[NH2+]CC4)n[nH]3)cc2)cc1Cl ZINC000028526885 563056962 /nfs/dbraw/zinc/05/69/62/563056962.db2.gz JIYGFUOFCCDVIL-ORCRQEGFSA-N 1 1 428.363 5.933 1 0 IKAFMO C[C@H]1C[N@@H+](CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1 ZINC000028567998 563058438 /nfs/dbraw/zinc/05/84/38/563058438.db2.gz OUWLFPDEWNFHLB-PDVBFRJSSA-N 1 1 427.632 6.626 1 0 IKAFMO Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@@H]3CCC[N@H+](C)C3)cc2)n2cncc12 ZINC000028639995 563060044 /nfs/dbraw/zinc/06/00/44/563060044.db2.gz ZMNIUTKMAXSZLK-OAQYLSRUSA-N 1 1 441.579 5.477 1 0 IKAFMO CC/C(=C(\c1ccccc1)c1ccc(OCC[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000028761932 563063797 /nfs/dbraw/zinc/06/37/97/563063797.db2.gz BNMSAIMWMCGZDO-ZIADKAODSA-N 1 1 426.604 5.682 1 0 IKAFMO CCCN[C@@H](c1ccc(Cl)cc1Cl)[C@H]([NH2+]CCC)c1ccc(Cl)cc1Cl ZINC000028764625 563064020 /nfs/dbraw/zinc/06/40/20/563064020.db2.gz FASYCQWBVNXZFV-BGYRXZFFSA-N 1 1 434.238 7.082 1 0 IKAFMO CC(C)[N@@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NC(C)(C)C)n1 ZINC000028822173 563065653 /nfs/dbraw/zinc/06/56/53/563065653.db2.gz ZMYWIOYRNMDHLI-UHFFFAOYSA-N 1 1 446.574 5.648 1 0 IKAFMO CCC[N@@H+](CCC1CC1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903732 563069263 /nfs/dbraw/zinc/06/92/63/563069263.db2.gz AXPHBYMSNVRSMB-UHFFFAOYSA-N 1 1 429.612 5.919 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2[N@@H+]1CCc2ccc(F)cc2C1 ZINC000029054211 563073278 /nfs/dbraw/zinc/07/32/78/563073278.db2.gz BITMMNNWKLCYEN-AREMUKBSSA-N 1 1 444.594 6.457 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2[N@H+]1CCc2ccc(F)cc2C1 ZINC000029054211 563073279 /nfs/dbraw/zinc/07/32/79/563073279.db2.gz BITMMNNWKLCYEN-AREMUKBSSA-N 1 1 444.594 6.457 1 0 IKAFMO CCC[N@H+]1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123573 563073968 /nfs/dbraw/zinc/07/39/68/563073968.db2.gz YNPJXHDZWVQOGL-GMQQYTKMSA-N 1 1 433.640 5.011 1 0 IKAFMO CCCN1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1C[N@@H+]2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123573 563073971 /nfs/dbraw/zinc/07/39/71/563073971.db2.gz YNPJXHDZWVQOGL-GMQQYTKMSA-N 1 1 433.640 5.011 1 0 IKAFMO CCCN1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1C[N@H+]2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123573 563073973 /nfs/dbraw/zinc/07/39/73/563073973.db2.gz YNPJXHDZWVQOGL-GMQQYTKMSA-N 1 1 433.640 5.011 1 0 IKAFMO CCCCc1[nH+]c2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2 ZINC000029340062 563078378 /nfs/dbraw/zinc/07/83/78/563078378.db2.gz FZMKOFDCRNAIEL-UHFFFAOYSA-N 1 1 426.568 5.390 1 0 IKAFMO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CC[N@H+]2Cc1ccccc1 ZINC000029404559 563079442 /nfs/dbraw/zinc/07/94/42/563079442.db2.gz TWLUVFQWKNYWCT-TUDQOENJSA-N 1 1 427.613 6.344 1 0 IKAFMO COc1ccc(C(=O)c2cccc([C@H](C)C[N@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029410132 563079803 /nfs/dbraw/zinc/07/98/03/563079803.db2.gz MUKZEHLYYAFENJ-AJTFRIOCSA-N 1 1 433.636 6.855 1 0 IKAFMO Fc1ccc(C(CCC[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c2ccc(F)cc2)cc1 ZINC000029486686 563081426 /nfs/dbraw/zinc/08/14/26/563081426.db2.gz FDZCICPSBGWJFW-UHFFFAOYSA-N 1 1 434.505 6.556 1 0 IKAFMO Fc1ccc(C(CCC[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c2ccc(F)cc2)cc1 ZINC000029486686 563081427 /nfs/dbraw/zinc/08/14/27/563081427.db2.gz FDZCICPSBGWJFW-UHFFFAOYSA-N 1 1 434.505 6.556 1 0 IKAFMO O=C(CCC[N@@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)Nc1ccccc1 ZINC000029558880 563082229 /nfs/dbraw/zinc/08/22/29/563082229.db2.gz GPXCZZUKSBSNHY-RSXGOPAZSA-N 1 1 447.529 5.693 1 0 IKAFMO C[NH+]1CCN(CCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccc(Cl)cc32)CC1 ZINC000032155975 563084164 /nfs/dbraw/zinc/08/41/64/563084164.db2.gz YHLOIHBIALNBLS-YYADALCUSA-N 1 1 446.447 5.413 1 0 IKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)C1CCCC1)c2NC(C)(C)CC(C)(C)C ZINC000033789516 563084687 /nfs/dbraw/zinc/08/46/87/563084687.db2.gz WZZRZUQWXSWPND-UHFFFAOYSA-N 1 1 447.623 7.032 1 0 IKAFMO Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000033917426 563085060 /nfs/dbraw/zinc/08/50/60/563085060.db2.gz OUSCXVGRSXJTRW-LAUBAEHRSA-N 1 1 429.486 5.692 1 0 IKAFMO Cc1c(-c2ccc3cc(CC[N@@H+]4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12 ZINC000034661636 563086895 /nfs/dbraw/zinc/08/68/95/563086895.db2.gz JHZTZJQZFCCJBJ-QGZVFWFLSA-N 1 1 426.589 6.099 1 0 IKAFMO C[N@H+]1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c43)C[C@H]21 ZINC000034800963 563087361 /nfs/dbraw/zinc/08/73/61/563087361.db2.gz DENVMYPRJDLGGR-BPUDTRNYSA-N 1 1 445.607 5.352 1 0 IKAFMO C[C@H]1C[N@H+]2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075235 563089179 /nfs/dbraw/zinc/08/91/79/563089179.db2.gz YREAXUCMJLVXEL-DNLODUJGSA-N 1 1 426.604 5.617 1 0 IKAFMO O=C(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Br)cc1 ZINC000035190652 563089469 /nfs/dbraw/zinc/08/94/69/563089469.db2.gz RGEOMGDZALAFGG-UHFFFAOYSA-N 1 1 432.749 5.273 1 0 IKAFMO O=C(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)C(c1ccccc1)c1ccccc1 ZINC000035190628 563089473 /nfs/dbraw/zinc/08/94/73/563089473.db2.gz IXMNQLKMWFJEEF-UHFFFAOYSA-N 1 1 443.978 6.029 1 0 IKAFMO CCCCCCc1ccc(C(=O)NCCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000035190677 563089477 /nfs/dbraw/zinc/08/94/77/563089477.db2.gz GWFVDUAWTOFTQU-UHFFFAOYSA-N 1 1 438.015 6.633 1 0 IKAFMO C[N@H+]1CC[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000036270774 563092467 /nfs/dbraw/zinc/09/24/67/563092467.db2.gz QZJCKWFHBYEESM-KAYWLYCHSA-N 1 1 448.006 6.141 1 0 IKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@H+]3C)cc1 ZINC000036270780 563092493 /nfs/dbraw/zinc/09/24/93/563092493.db2.gz WXEOOMWVKIXGIR-VIJSPRBVSA-N 1 1 447.569 6.646 1 0 IKAFMO CCOc1ccccc1CN[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000036323653 563092727 /nfs/dbraw/zinc/09/27/27/563092727.db2.gz GPUOQABHPXXQED-VMPREFPWSA-N 1 1 426.604 5.470 1 0 IKAFMO COc1cc(-c2[nH+]c3ccccn3c2NCc2ccccc2)ccc1SC1CCCCC1 ZINC000036382301 563093907 /nfs/dbraw/zinc/09/39/07/563093907.db2.gz XBVOCTLSYGTROZ-UHFFFAOYSA-N 1 1 443.616 7.047 3 0 IKAFMO CCCCCCSc1cccc(-c2[nH+]c3cc(C)ccn3c2NCc2ccccc2)c1 ZINC000036382309 563093964 /nfs/dbraw/zinc/09/39/64/563093964.db2.gz BLPRQLLKEKNVQU-UHFFFAOYSA-N 1 1 429.633 7.594 3 0 IKAFMO CCC[N@@H+](CCCCNc1ccnc2cc(Cl)ccc21)Cc1cc(F)ccc1OC ZINC000036474061 563095373 /nfs/dbraw/zinc/09/53/73/563095373.db2.gz ZZIZUCRRSLRFCS-UHFFFAOYSA-N 1 1 429.967 6.140 1 0 IKAFMO Cn1cccc1C[NH+]1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc32)CC1 ZINC000040430554 563103455 /nfs/dbraw/zinc/10/34/55/563103455.db2.gz QTXKLTNEQHYITC-UHFFFAOYSA-N 1 1 427.596 5.188 1 0 IKAFMO COC(=O)C(=Cc1ccc(-c2nc3ccc(C(=[NH2+])NC(C)C)cc3[nH]2)s1)c1ccccc1 ZINC000040865617 563108709 /nfs/dbraw/zinc/10/87/09/563108709.db2.gz UFPWKIOBGAGEGS-XMHGGMMESA-N 1 1 444.560 5.328 1 0 IKAFMO COC(=O)c1cc2oc(-c3nc4ccc(C(=[NH2+])NC(C)C)cc4[nH]3)cc2c2ccccc12 ZINC000040865619 563108711 /nfs/dbraw/zinc/10/87/11/563108711.db2.gz AOKHGBYFQAEJGX-UHFFFAOYSA-N 1 1 426.476 5.239 1 0 IKAFMO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040867151 563108936 /nfs/dbraw/zinc/10/89/36/563108936.db2.gz OSEGKKXKKFOBIS-AXYOXNHISA-N 1 1 428.749 6.945 1 0 IKAFMO Oc1ccc(CCC[NH+]2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040867149 563108967 /nfs/dbraw/zinc/10/89/67/563108967.db2.gz UBOAAZLIZFWMOD-UHFFFAOYSA-N 1 1 441.619 5.531 1 0 IKAFMO COc1nc2ccc(Br)cc2cc1[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000040891875 563109960 /nfs/dbraw/zinc/10/99/60/563109960.db2.gz ZDUJDGHWGWHOPO-NRFANRHFSA-N 1 1 439.378 5.947 1 0 IKAFMO COc1cc2nccc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@H](C)[NH+](C)C ZINC000040913466 563111075 /nfs/dbraw/zinc/11/10/75/563111075.db2.gz VJCSJCNFHDFCJI-GPAKFWEMSA-N 1 1 442.922 5.224 1 0 IKAFMO C[N@@H+](CCCCCCCOc1ccc(-c2cc3ccccc3o2)cc1)Cc1ccccc1 ZINC000040976823 563115450 /nfs/dbraw/zinc/11/54/50/563115450.db2.gz NLIRDIJPNPPVES-UHFFFAOYSA-N 1 1 427.588 7.561 1 0 IKAFMO Cc1c(C2CC2)[nH+]c2ccc(NC(=O)c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)cn12 ZINC000043011193 563116485 /nfs/dbraw/zinc/11/64/85/563116485.db2.gz FGYZDLINVANVIK-UHFFFAOYSA-N 1 1 437.425 5.248 1 0 IKAFMO C[N@@H+](Cc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043023903 563117380 /nfs/dbraw/zinc/11/73/80/563117380.db2.gz QBUBIPIOMZYFEI-UHFFFAOYSA-N 1 1 428.555 5.325 1 0 IKAFMO C[N@@H+](CCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043073113 563118163 /nfs/dbraw/zinc/11/81/63/563118163.db2.gz VKVAJQSZVWNRMB-UHFFFAOYSA-N 1 1 442.582 5.367 1 0 IKAFMO COc1ccc(-c2[nH+]c3ccc(/C=C/c4ccccc4)cn3c2NC2CCCC2)cc1O ZINC000043121574 563118911 /nfs/dbraw/zinc/11/89/11/563118911.db2.gz HGVSTFHGVJRJRD-VAWYXSNFSA-N 1 1 425.532 6.240 1 0 IKAFMO O=C(NCc1cccc(Cl)c1)c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045168695 563122655 /nfs/dbraw/zinc/12/26/55/563122655.db2.gz IJCINOKBKRPLHQ-UHFFFAOYSA-N 1 1 448.010 5.024 1 0 IKAFMO CN1CCC[N@@H+](Cc2cccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2)CC1 ZINC000045169032 563122664 /nfs/dbraw/zinc/12/26/64/563122664.db2.gz JXMDDINXWROMJQ-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2cccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2)CC1 ZINC000045169032 563122665 /nfs/dbraw/zinc/12/26/65/563122665.db2.gz JXMDDINXWROMJQ-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2cccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2)CC1 ZINC000045169032 563122666 /nfs/dbraw/zinc/12/26/66/563122666.db2.gz JXMDDINXWROMJQ-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1C[NH+]1CCN(C)CC1 ZINC000045187394 563122904 /nfs/dbraw/zinc/12/29/04/563122904.db2.gz FJHGFFBYNLRRMD-UHFFFAOYSA-N 1 1 449.982 5.015 1 0 IKAFMO CC(C)CC[N@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045187839 563122978 /nfs/dbraw/zinc/12/29/78/563122978.db2.gz JDVFVTPWSJIPLW-UHFFFAOYSA-N 1 1 448.438 5.800 1 0 IKAFMO CCc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045188167 563122990 /nfs/dbraw/zinc/12/29/90/563122990.db2.gz PFYMINPRRIGVTI-QFIPXVFZSA-N 1 1 436.596 5.901 1 0 IKAFMO CCc1cccc(NC(=O)c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)cc2)c1 ZINC000045189516 563123217 /nfs/dbraw/zinc/12/32/17/563123217.db2.gz QOCFFLRRUHAFNZ-UHFFFAOYSA-N 1 1 433.640 5.589 1 0 IKAFMO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000045190035 563123368 /nfs/dbraw/zinc/12/33/68/563123368.db2.gz QECZAEZKWFZJRH-QHCPKHFHSA-N 1 1 443.572 5.510 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1cccs1 ZINC000045190551 563123462 /nfs/dbraw/zinc/12/34/62/563123462.db2.gz UPJGISNSUGKSPX-GOSISDBHSA-N 1 1 430.932 5.446 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1cccs1 ZINC000045190551 563123463 /nfs/dbraw/zinc/12/34/63/563123463.db2.gz UPJGISNSUGKSPX-GOSISDBHSA-N 1 1 430.932 5.446 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1cccs1 ZINC000045190554 563123474 /nfs/dbraw/zinc/12/34/74/563123474.db2.gz UPJGISNSUGKSPX-SFHVURJKSA-N 1 1 430.932 5.446 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1cccs1 ZINC000045190554 563123475 /nfs/dbraw/zinc/12/34/75/563123475.db2.gz UPJGISNSUGKSPX-SFHVURJKSA-N 1 1 430.932 5.446 1 0 IKAFMO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)co1 ZINC000045190811 563123654 /nfs/dbraw/zinc/12/36/54/563123654.db2.gz XBFPVGAOQWSKQC-UHFFFAOYSA-N 1 1 438.959 5.559 1 0 IKAFMO CN(C)c1ccc(-c2csc(C(=O)N[C@@H]3CCCC[N@@H+](CCC(C)(C)C)C3)c2)cc1 ZINC000045193220 563123992 /nfs/dbraw/zinc/12/39/92/563123992.db2.gz PDUXKLQSBSEYON-OAQYLSRUSA-N 1 1 427.658 5.502 1 0 IKAFMO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)cc2)cc1 ZINC000045192982 563123999 /nfs/dbraw/zinc/12/39/99/563123999.db2.gz KZJDHMKSXZZQFH-UHFFFAOYSA-N 1 1 439.584 6.565 1 0 IKAFMO FC(F)(F)c1cccc(CCNc2nc(NCc3ccc(Cl)cc3Cl)cc[nH+]2)c1 ZINC000045194651 563124353 /nfs/dbraw/zinc/12/43/53/563124353.db2.gz LJYFLERYGMZLTL-UHFFFAOYSA-N 1 1 441.284 6.069 1 0 IKAFMO Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)NCC[NH+]5CCCC5)c4)s3)[nH]c21 ZINC000045202782 563125002 /nfs/dbraw/zinc/12/50/02/563125002.db2.gz VEZYZCURZOQWOQ-UHFFFAOYSA-N 1 1 430.577 5.092 1 0 IKAFMO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccsc4)C3)cc2)cc1 ZINC000045202530 563125090 /nfs/dbraw/zinc/12/50/90/563125090.db2.gz MTIBQKRTTWKTAA-DEOSSOPVSA-N 1 1 447.604 5.128 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000045202904 563125183 /nfs/dbraw/zinc/12/51/83/563125183.db2.gz ASSPHNQULKOSIF-UHFFFAOYSA-N 1 1 433.983 5.300 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000045202904 563125184 /nfs/dbraw/zinc/12/51/84/563125184.db2.gz ASSPHNQULKOSIF-UHFFFAOYSA-N 1 1 433.983 5.300 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000045202904 563125186 /nfs/dbraw/zinc/12/51/86/563125186.db2.gz ASSPHNQULKOSIF-UHFFFAOYSA-N 1 1 433.983 5.300 1 0 IKAFMO C[C@@H]1CN(c2ccnc3ccc(Sc4ccc(Oc5ccccc5)cc4)cc32)C[C@H](C)[NH2+]1 ZINC000045203041 563125205 /nfs/dbraw/zinc/12/52/05/563125205.db2.gz PWOXOZQCXYPBMY-BGYRXZFFSA-N 1 1 441.600 6.365 1 0 IKAFMO CC(C)C[N@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045227342 563125530 /nfs/dbraw/zinc/12/55/30/563125530.db2.gz BKZOXEZFXYERPU-UHFFFAOYSA-N 1 1 434.411 5.409 1 0 IKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000045230916 563126211 /nfs/dbraw/zinc/12/62/11/563126211.db2.gz NRUOZLRSLHSRQK-UHFFFAOYSA-N 1 1 448.876 5.698 1 0 IKAFMO CCc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045254756 563127126 /nfs/dbraw/zinc/12/71/26/563127126.db2.gz NGLYERQRYRDLCH-UHFFFAOYSA-N 1 1 443.526 5.262 1 0 IKAFMO Nc1[nH]c2c(ccnc2-c2cc(Br)c(-c3ccc(-c4ccccc4)cc3)[nH]2)[nH+]1 ZINC000045254746 563127136 /nfs/dbraw/zinc/12/71/36/563127136.db2.gz KKWUIAKNMKXRTR-UHFFFAOYSA-N 1 1 430.309 5.632 1 0 IKAFMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000045302858 563129612 /nfs/dbraw/zinc/12/96/12/563129612.db2.gz VQJMTESEZFGSOB-UHFFFAOYSA-N 1 1 444.966 5.278 1 0 IKAFMO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)cc2)cc1 ZINC000045316841 563129944 /nfs/dbraw/zinc/12/99/44/563129944.db2.gz OMCHWOSXPPVORE-UHFFFAOYSA-N 1 1 433.555 6.504 1 0 IKAFMO Cc1c[nH+]c(NCCc2ccc(F)cc2)nc1N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000045321078 563130222 /nfs/dbraw/zinc/13/02/22/563130222.db2.gz BRYLSJNEEQNMGO-QFIPXVFZSA-N 1 1 435.547 5.044 1 0 IKAFMO CC[C@H]1C[N@@H+](C/C=C/c2ccc(OC)cc2)CC[C@H]1CCCc1ccnc2ccc(O)cc12 ZINC000045322430 563130404 /nfs/dbraw/zinc/13/04/04/563130404.db2.gz OOMLBWKIHQDWDY-AQQVHWGDSA-N 1 1 444.619 6.333 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccco3)C2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045323001 563130522 /nfs/dbraw/zinc/13/05/22/563130522.db2.gz HUQZWMBICXNIEI-OAQYLSRUSA-N 1 1 447.922 5.387 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@@H+](Cc3ccco3)C2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045323001 563130524 /nfs/dbraw/zinc/13/05/24/563130524.db2.gz HUQZWMBICXNIEI-OAQYLSRUSA-N 1 1 447.922 5.387 1 0 IKAFMO COc1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)cc1 ZINC000045323353 563130696 /nfs/dbraw/zinc/13/06/96/563130696.db2.gz LJJRWQDEWFMPJX-UHFFFAOYSA-N 1 1 437.518 6.334 1 0 IKAFMO CN(C)c1ccc(-c2csc(C(=O)NC[C@@H]3CC[N@@H+](CC4CCCCC4)C3)c2)cc1 ZINC000045323712 563130756 /nfs/dbraw/zinc/13/07/56/563130756.db2.gz CUEDTIKCXGLZCO-FQEVSTJZSA-N 1 1 425.642 5.113 1 0 IKAFMO O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000045323618 563130802 /nfs/dbraw/zinc/13/08/02/563130802.db2.gz BTEOLPBPGNWMEQ-INIZCTEOSA-N 1 1 434.849 5.307 1 0 IKAFMO CN1CCC[N@@H+](Cc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000045325128 563131000 /nfs/dbraw/zinc/13/10/00/563131000.db2.gz BJSWKKKPKGNCIG-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000045325128 563131002 /nfs/dbraw/zinc/13/10/02/563131002.db2.gz BJSWKKKPKGNCIG-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000045325128 563131004 /nfs/dbraw/zinc/13/10/04/563131004.db2.gz BJSWKKKPKGNCIG-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO CC(C)(C[NH2+]Cc1ccccc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000045337309 563131588 /nfs/dbraw/zinc/13/15/88/563131588.db2.gz PBMHQDDPVNKBPW-UHFFFAOYSA-N 1 1 432.955 5.565 1 0 IKAFMO O=C(NCCCC[N@@H+]1CC[C@@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000045338625 563131747 /nfs/dbraw/zinc/13/17/47/563131747.db2.gz CYBHGHQYVGGXRB-VPUSJEBWSA-N 1 1 440.587 5.374 1 0 IKAFMO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](C2CCCC2)CC3)cc1 ZINC000049013715 563135287 /nfs/dbraw/zinc/13/52/87/563135287.db2.gz XKLUUIKSEPOBCP-UHFFFAOYSA-N 1 1 426.626 5.173 1 0 IKAFMO CC(C)C[N@H+]1CCC[C@H](Cn2c3ccccc3nc2CN(C)[C@H]2CCCc3cccnc32)C1 ZINC000049112718 563138370 /nfs/dbraw/zinc/13/83/70/563138370.db2.gz SUVTXSXXZWCMHL-NVQXNPDNSA-N 1 1 445.655 5.309 1 0 IKAFMO CCCN1C[C@@H](C[N@@H+]2CC=C(c3c[nH]c4ccc(F)cc43)CC2)Oc2c(OC)cccc21 ZINC000053173484 563141137 /nfs/dbraw/zinc/14/11/37/563141137.db2.gz KBGIAHKLLKPEIS-HXUWFJFHSA-N 1 1 435.543 5.082 1 0 IKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)[N@H+]3C)cc1 ZINC000058563638 563144403 /nfs/dbraw/zinc/14/44/03/563144403.db2.gz SWUYKZCLBQJENR-MYIRVZICSA-N 1 1 446.034 7.021 1 0 IKAFMO C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000059260210 563146417 /nfs/dbraw/zinc/14/64/17/563146417.db2.gz GURFDWVYTCEBLB-QVKFZJNVSA-N 1 1 433.383 5.700 1 0 IKAFMO C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000059260212 563146431 /nfs/dbraw/zinc/14/64/31/563146431.db2.gz GURFDWVYTCEBLB-YCRPNKLZSA-N 1 1 433.383 5.700 1 0 IKAFMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCCC(C)(C)C2)nc2ccc(OC)cc21 ZINC000059696272 563146630 /nfs/dbraw/zinc/14/66/30/563146630.db2.gz QPZZSPOFTCOPQR-QLFMASBFSA-N 1 1 437.628 5.024 1 0 IKAFMO c1ccc([C@@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059830573 563146712 /nfs/dbraw/zinc/14/67/12/563146712.db2.gz NUJHFKHMMFVVEU-KOBWGQNTSA-N 1 1 443.594 6.165 3 0 IKAFMO CCCCCC[N@H+]1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923677 563149579 /nfs/dbraw/zinc/14/95/79/563149579.db2.gz RXXZELVVPMLFFB-ZNZIZOMTSA-N 1 1 436.575 5.322 3 0 IKAFMO Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000061923799 563149675 /nfs/dbraw/zinc/14/96/75/563149675.db2.gz MOOQRFHZJWKCHK-UBFVSLLYSA-N 1 1 448.567 5.003 3 0 IKAFMO Cc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000061923848 563149683 /nfs/dbraw/zinc/14/96/83/563149683.db2.gz OIGNBZIMZUYPRD-PVHODMMVSA-N 1 1 448.586 5.322 3 0 IKAFMO Cc1ccn2c(c1)[nH+]c(-c1cccc(SC3CCCCC3)c1)c2NCc1ccccc1 ZINC000061959489 563152008 /nfs/dbraw/zinc/15/20/08/563152008.db2.gz BAAPJGFWODTLSH-UHFFFAOYSA-N 1 1 427.617 7.347 3 0 IKAFMO Clc1ccc(CN[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000066065887 563156891 /nfs/dbraw/zinc/15/68/91/563156891.db2.gz AHUOBESNXKKXAS-BGYRXZFFSA-N 1 1 432.222 6.491 1 0 IKAFMO Fc1ccc(-c2ncn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2-c2ccc3n[nH]cc3c2)cc1 ZINC000066073647 563157206 /nfs/dbraw/zinc/15/72/06/563157206.db2.gz PJNPAVYZHHPABL-XMMPIXPASA-N 1 1 437.522 5.680 1 0 IKAFMO O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066259042 563160392 /nfs/dbraw/zinc/16/03/92/563160392.db2.gz WWAWDEKLBQPWBE-XSARVHFWSA-N 1 1 448.975 5.310 1 0 IKAFMO O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066259042 563160393 /nfs/dbraw/zinc/16/03/93/563160393.db2.gz WWAWDEKLBQPWBE-XSARVHFWSA-N 1 1 448.975 5.310 1 0 IKAFMO FC(F)(F)c1cccc(-c2cn(CC3CC3)c(-c3cccc(C[NH+]4CCOCC4)c3)n2)c1 ZINC000066259742 563160609 /nfs/dbraw/zinc/16/06/09/563160609.db2.gz BIHAWDXODSOWQG-UHFFFAOYSA-N 1 1 441.497 5.478 1 0 IKAFMO C[C@@H](SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000071295430 563161581 /nfs/dbraw/zinc/16/15/81/563161581.db2.gz OIHWNHNKECXCTR-HSALFYBXSA-N 1 1 438.662 6.202 1 0 IKAFMO C[C@H](SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000071295429 563161596 /nfs/dbraw/zinc/16/15/96/563161596.db2.gz OIHWNHNKECXCTR-SLFFLAALSA-N 1 1 438.662 6.202 1 0 IKAFMO CC(C)c1ccc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334406 563162561 /nfs/dbraw/zinc/16/25/61/563162561.db2.gz BUCKPVPECSLPLN-ZDGAQAAHSA-N 1 1 431.649 5.735 1 0 IKAFMO O[C@@H]1C[N@@H+](CC2CCCCC2)[C@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142524 563164788 /nfs/dbraw/zinc/16/47/88/563164788.db2.gz NVLOOEBBXPYQSB-KKUQBAQOSA-N 1 1 434.559 5.014 1 0 IKAFMO Fc1ccc(-c2ccc3c(c2)nccc3NCCC[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000072142708 563164915 /nfs/dbraw/zinc/16/49/15/563164915.db2.gz MMLPKHPNZDKPHQ-UHFFFAOYSA-N 1 1 429.495 5.361 1 0 IKAFMO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180200 563166772 /nfs/dbraw/zinc/16/67/72/563166772.db2.gz RVZGSHOSWHWPMO-ATIYNZHBSA-N 1 1 431.624 6.441 1 0 IKAFMO CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072182101 563167322 /nfs/dbraw/zinc/16/73/22/563167322.db2.gz AGRBAIWRSFYYIK-QFIPXVFZSA-N 1 1 429.486 5.457 1 0 IKAFMO CC[C@H](C)[C@@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184258 563167760 /nfs/dbraw/zinc/16/77/60/563167760.db2.gz XLYFKUYOYSCHFH-WMZHIEFXSA-N 1 1 435.568 5.064 1 0 IKAFMO CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072184143 563167771 /nfs/dbraw/zinc/16/77/71/563167771.db2.gz VASKGEOBOYXLJS-QFIPXVFZSA-N 1 1 440.385 5.201 1 0 IKAFMO CC[C@@H](C)[C@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185373 563168113 /nfs/dbraw/zinc/16/81/13/563168113.db2.gz YZYGOZIGGKPNTA-YKSBVNFPSA-N 1 1 433.596 6.218 1 0 IKAFMO OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCc1nc2ccccc2s1 ZINC000073199080 563170188 /nfs/dbraw/zinc/17/01/88/563170188.db2.gz SJEXSMOVRPPLBZ-VXMMSVGHSA-N 1 1 427.013 5.787 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12 ZINC000073336273 563172584 /nfs/dbraw/zinc/17/25/84/563172584.db2.gz CHTMRWQLNNRRFJ-QGZVFWFLSA-N 1 1 427.335 5.189 1 0 IKAFMO CC(C)(C)C[N@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000082155533 563173675 /nfs/dbraw/zinc/17/36/75/563173675.db2.gz MQTLYTFYVXHFAN-SNAWJCMRSA-N 1 1 428.580 6.074 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@H](O)CSc1ccc(C)cc1)CC2 ZINC000084671923 563175462 /nfs/dbraw/zinc/17/54/62/563175462.db2.gz SPLBZGDAJILIPX-CUNXSJBXSA-N 1 1 449.616 5.113 1 0 IKAFMO CCN1CC[NH+](CCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095558170 563181755 /nfs/dbraw/zinc/18/17/55/563181755.db2.gz ULRNPMQYZHBUNR-ONWBCECJSA-N 1 1 442.691 6.215 1 0 IKAFMO C[NH+]1CCN(CCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095557798 563181760 /nfs/dbraw/zinc/18/17/60/563181760.db2.gz LYYKTBPUPZEIDM-CTSDKZEDSA-N 1 1 428.664 5.825 1 0 IKAFMO Nc1c2c([nH+]c3c1[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095563271 563182818 /nfs/dbraw/zinc/18/28/18/563182818.db2.gz IFYBUPQCUTZITP-QFIPXVFZSA-N 1 1 447.365 7.289 1 0 IKAFMO O=C(N[C@H]1CC[N@@H+](CCSc2cccc(Cl)c2Cl)C1)c1ccc2ccccc2n1 ZINC000095577844 563186486 /nfs/dbraw/zinc/18/64/86/563186486.db2.gz FUOKCOLCLIHXST-INIZCTEOSA-N 1 1 446.403 5.138 1 0 IKAFMO O=C(N[C@H]1CC[N@H+](CCSc2cccc(Cl)c2Cl)C1)c1ccc2ccccc2n1 ZINC000095577844 563186488 /nfs/dbraw/zinc/18/64/88/563186488.db2.gz FUOKCOLCLIHXST-INIZCTEOSA-N 1 1 446.403 5.138 1 0 IKAFMO CC(C)OC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000095665447 563194320 /nfs/dbraw/zinc/19/43/20/563194320.db2.gz XSCBAUNBSITGFU-UHFFFAOYSA-N 1 1 431.960 5.049 1 0 IKAFMO CC(C)(C)OC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000095665433 563194338 /nfs/dbraw/zinc/19/43/38/563194338.db2.gz MOVCEQJKJVEWQF-UHFFFAOYSA-N 1 1 445.987 5.439 1 0 IKAFMO O[C@H]1CCC[N@@H+](CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C1 ZINC000096273987 563196985 /nfs/dbraw/zinc/19/69/85/563196985.db2.gz CNRBVGMQUDYZPO-DEOSSOPVSA-N 1 1 429.589 5.706 1 0 IKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000096929242 563198428 /nfs/dbraw/zinc/19/84/28/563198428.db2.gz LVSMVMIVTXOMHK-KKSFZXQISA-N 1 1 432.395 5.617 1 0 IKAFMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccncc2)cc1 ZINC000096929261 563198544 /nfs/dbraw/zinc/19/85/44/563198544.db2.gz GUICKVKRJDGKHK-HFZDXXHNSA-N 1 1 440.591 5.372 1 0 IKAFMO Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000096940177 563200216 /nfs/dbraw/zinc/20/02/16/563200216.db2.gz BCYLZRSBTBGTMC-UHFFFAOYSA-N 1 1 425.528 5.576 1 0 IKAFMO Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000096940129 563200220 /nfs/dbraw/zinc/20/02/20/563200220.db2.gz KUXWORKQNWWGEM-UHFFFAOYSA-N 1 1 438.571 5.491 1 0 IKAFMO O=C1CCS[C@@H](c2cccc(O)c2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000098082407 563200572 /nfs/dbraw/zinc/20/05/72/563200572.db2.gz CZLLUQZMCCSZSX-QFIPXVFZSA-N 1 1 427.957 5.060 1 0 IKAFMO O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1ccsc1 ZINC000101401120 581102124 /nfs/dbraw/zinc/10/21/24/581102124.db2.gz HZUIOGGLVUGKGW-UHFFFAOYSA-N 1 1 440.528 5.937 1 0 IKAFMO C[C@H]([C@H]1CC[C@H](C)C[N@H+]1C)[C@@H]1C=C[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@]2(C)C1 ZINC000095912326 560057277 /nfs/dbraw/zinc/05/72/77/560057277.db2.gz YWTDTKWYDRWAKX-AVQBBDCLSA-N 1 1 427.673 5.328 1 0 biogenic,in-vitro IKAFMO CC[N@@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@@H](C)c1ccccc1 ZINC000000592219 562918357 /nfs/dbraw/zinc/91/83/57/562918357.db2.gz WLQQYOGZZSJJST-SFHVURJKSA-N 1 1 426.582 5.067 1 0 IKAFMO CC[N@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H](C)c1ccccc1 ZINC000000592218 562918324 /nfs/dbraw/zinc/91/83/24/562918324.db2.gz WLQQYOGZZSJJST-GOSISDBHSA-N 1 1 426.582 5.067 1 0 IKAFMO CC[N@@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H](C)c1ccccc1 ZINC000000592218 562918326 /nfs/dbraw/zinc/91/83/26/562918326.db2.gz WLQQYOGZZSJJST-GOSISDBHSA-N 1 1 426.582 5.067 1 0 IKAFMO CC[N@H+](Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@@H](C)c1ccccc1 ZINC000000592219 562918356 /nfs/dbraw/zinc/91/83/56/562918356.db2.gz WLQQYOGZZSJJST-SFHVURJKSA-N 1 1 426.582 5.067 1 0 IKAFMO CCCC(=O)c1cnc2c(NCCC[NH+]3CCOCC3)cccc2c1Nc1ccccc1C ZINC000001541165 562922652 /nfs/dbraw/zinc/92/26/52/562922652.db2.gz JETFZCYLRZHOTC-UHFFFAOYSA-N 1 1 446.595 5.404 1 0 IKAFMO FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000001656568 562924049 /nfs/dbraw/zinc/92/40/49/562924049.db2.gz VYBKTUUDMDGXLT-DENIHFKCSA-N 1 1 427.514 5.910 1 0 IKAFMO Clc1ccc(Cc2nc3ccc(CC[NH+]4CCN(c5ccccc5)CC4)cc3[nH]2)cc1 ZINC000001658044 562924143 /nfs/dbraw/zinc/92/41/43/562924143.db2.gz VPUAQCQMOIAGBY-UHFFFAOYSA-N 1 1 430.983 5.172 1 0 IKAFMO COCn1c2ccccc2c2c1C[N@@H+](CCCC[C@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000002007273 562925531 /nfs/dbraw/zinc/92/55/31/562925531.db2.gz CRRKLNGYPLRVMF-NDEPHWFRSA-N 1 1 443.591 5.000 1 0 IKAFMO COCn1c2ccccc2c2c1C[N@H+](CCCC[C@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000002007273 562925534 /nfs/dbraw/zinc/92/55/34/562925534.db2.gz CRRKLNGYPLRVMF-NDEPHWFRSA-N 1 1 443.591 5.000 1 0 IKAFMO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003956020 562939936 /nfs/dbraw/zinc/93/99/36/562939936.db2.gz MQEUNOAJYJOFAV-IBGZPJMESA-N 1 1 436.440 5.308 1 0 IKAFMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000004437217 562943363 /nfs/dbraw/zinc/94/33/63/562943363.db2.gz HRXOXIXMSYNCRK-HXUWFJFHSA-N 1 1 435.955 5.105 3 0 IKAFMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000004437213 562943394 /nfs/dbraw/zinc/94/33/94/562943394.db2.gz HRXOXIXMSYNCRK-FQEVSTJZSA-N 1 1 435.955 5.105 3 0 IKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C2CCCC2)[nH+]c2ccccn21 ZINC000004720339 562943498 /nfs/dbraw/zinc/94/34/98/562943498.db2.gz QJOHZTGGAATBCK-UHFFFAOYSA-N 1 1 433.596 6.724 1 0 IKAFMO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](CO)[N@@H+](C)CC/C=C(\C)CCC=C(C)C ZINC000006002844 562945614 /nfs/dbraw/zinc/94/56/14/562945614.db2.gz AASSGPJLRRBDET-YSLAQYRWSA-N 1 1 429.733 8.171 1 0 IKAFMO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@@H]2C)c(NC2CCCCC2)n1 ZINC000008017432 562948836 /nfs/dbraw/zinc/94/88/36/562948836.db2.gz MZEJIRYFUZJFCV-FQEVSTJZSA-N 1 1 446.643 5.811 1 0 IKAFMO c1ccc([C@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008585827 562950047 /nfs/dbraw/zinc/95/00/47/562950047.db2.gz PMQVAONUMYVHIH-HXUOFSJXSA-N 1 1 448.654 7.150 3 0 IKAFMO CCC[N@H+](Cc1sc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587347 562995616 /nfs/dbraw/zinc/99/56/16/562995616.db2.gz MTGPKDWDNOCSEA-UHFFFAOYSA-N 1 1 438.346 6.834 1 0 IKAFMO C[C@H](CCc1ccc(O)cc1)[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000012031365 562980472 /nfs/dbraw/zinc/98/04/72/562980472.db2.gz MZGYISGPSJXIML-QGZVFWFLSA-N 1 1 446.572 5.590 1 0 IKAFMO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000012494853 562982514 /nfs/dbraw/zinc/98/25/14/562982514.db2.gz JVXQTICAQRFDBP-QILAJZQNSA-N 1 1 443.566 6.200 3 0 IKAFMO C(COC(c1ccccc1)c1ccccc1)=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1 ZINC000013487730 562989412 /nfs/dbraw/zinc/98/94/12/562989412.db2.gz MICHYAVIGSLYSM-RNPORBBMSA-N 1 1 437.627 6.979 1 0 IKAFMO COc1cc2c(cc1OC)C[N@@H+](CC[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 ZINC000013530646 562992046 /nfs/dbraw/zinc/99/20/46/562992046.db2.gz MKSJGKFVKSOTMY-XMMPIXPASA-N 1 1 437.967 5.926 1 0 IKAFMO CCC[N@H+](Cc1sc(N(C)c2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587340 562995622 /nfs/dbraw/zinc/99/56/22/562995622.db2.gz ZXTCOIOCSYWXIL-UHFFFAOYSA-N 1 1 445.982 6.822 1 0 IKAFMO C[N@@H+](CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588187 562995852 /nfs/dbraw/zinc/99/58/52/562995852.db2.gz MVLNKEXGMMGTDC-UHFFFAOYSA-N 1 1 428.561 5.612 1 0 IKAFMO Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613257 562998074 /nfs/dbraw/zinc/99/80/74/562998074.db2.gz AUZDFHZZRBZEPU-JCYRPKCISA-N 1 1 437.603 5.769 1 0 IKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013733953 563002162 /nfs/dbraw/zinc/00/21/62/563002162.db2.gz LSXRBLCFKKVJAF-HDICACEKSA-N 1 1 433.423 5.895 1 0 IKAFMO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013776235 563005891 /nfs/dbraw/zinc/00/58/91/563005891.db2.gz CYUGXTVDOUZASH-FITHBNAOSA-N 1 1 447.569 6.699 1 0 IKAFMO CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc(C(=O)N3CCCCCCC3)c2)CC1 ZINC000013779650 563006242 /nfs/dbraw/zinc/00/62/42/563006242.db2.gz LAZZWNWLZKNZQI-UHFFFAOYSA-N 1 1 449.639 5.202 1 0 IKAFMO C[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC1CC1 ZINC000013781677 563006704 /nfs/dbraw/zinc/00/67/04/563006704.db2.gz UFVWGMRRQSXBLK-QHCPKHFHSA-N 1 1 432.674 5.293 1 0 IKAFMO C[N@@H+](CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000013814687 563009210 /nfs/dbraw/zinc/00/92/10/563009210.db2.gz VNFICCZXOXJULI-UHFFFAOYSA-N 1 1 445.415 6.605 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3)cc12 ZINC000013983995 563014275 /nfs/dbraw/zinc/01/42/75/563014275.db2.gz JWYRAAFPDRMISU-QHCPKHFHSA-N 1 1 434.543 5.549 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(F)cc(C(F)(F)F)c4)c3)cc12 ZINC000014961736 563016194 /nfs/dbraw/zinc/01/61/94/563016194.db2.gz UIXJCGDDTYZBHF-IBGZPJMESA-N 1 1 444.432 5.040 1 0 IKAFMO CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1C[NH2+][C@H](C)c1cccs1 ZINC000014995929 563017468 /nfs/dbraw/zinc/01/74/68/563017468.db2.gz QQIFYQCTUAMZAT-CQSZACIVSA-N 1 1 440.956 5.163 1 0 IKAFMO COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@@H](OC(C)=O)c1ccccc1)[C@@H]3[N@@H+](C)CC2 ZINC000017193276 563021579 /nfs/dbraw/zinc/02/15/79/563021579.db2.gz IGRKHRUNPPEQNP-VJGNERBWSA-N 1 1 443.543 5.301 1 0 IKAFMO c1ccc(CCCN2CC[NH+](CCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925707 563025909 /nfs/dbraw/zinc/02/59/09/563025909.db2.gz ZKMLAACIBJTRKI-UHFFFAOYSA-N 1 1 427.636 5.334 1 0 IKAFMO Cc1ccc2c(cccc2OCC[NH+]2CCN(Cc3c(Cl)cccc3Cl)CC2)n1 ZINC000022933652 563026436 /nfs/dbraw/zinc/02/64/36/563026436.db2.gz BHJQEHIYNQGURO-UHFFFAOYSA-N 1 1 430.379 5.047 1 0 IKAFMO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1CCCc1ccccc1 ZINC000022938454 563026535 /nfs/dbraw/zinc/02/65/35/563026535.db2.gz XFHMIYUKNNXRRC-FTJBHMTQSA-N 1 1 442.647 5.820 1 0 IKAFMO c1ccc(C(OCC[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc2)cc1 ZINC000022938666 563026544 /nfs/dbraw/zinc/02/65/44/563026544.db2.gz WTXOULSDKRPSGE-UHFFFAOYSA-N 1 1 436.599 5.764 1 0 IKAFMO COc1cccc([C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000022939109 563026703 /nfs/dbraw/zinc/02/67/03/563026703.db2.gz POUSMXNITPRXFI-NDEPHWFRSA-N 1 1 428.620 5.900 1 0 IKAFMO Oc1cccc([C@H](c2ccc(-c3ccccc3)cc2)[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000022939100 563026734 /nfs/dbraw/zinc/02/67/34/563026734.db2.gz LCSYHXZNEVCMEZ-PMERELPUSA-N 1 1 434.583 5.966 1 0 IKAFMO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022939511 563026842 /nfs/dbraw/zinc/02/68/42/563026842.db2.gz PRARFSGCMXWAAS-NDEPHWFRSA-N 1 1 441.619 5.076 1 0 IKAFMO C[C@H](CCc1[nH]cc[nH+]1)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002770 563028202 /nfs/dbraw/zinc/02/82/02/563028202.db2.gz AUDPHZXRKNUGBV-VTAYPVSUSA-N 1 1 438.700 7.089 1 0 IKAFMO Clc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026656642 563034922 /nfs/dbraw/zinc/03/49/22/563034922.db2.gz LLRZXEPSNACQNM-LMSSTIIKSA-N 1 1 445.050 6.435 1 0 IKAFMO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CCC(N)=O)CC1 ZINC000026665326 563035227 /nfs/dbraw/zinc/03/52/27/563035227.db2.gz ZZHNOVUUFUFNLN-QZTJIDSGSA-N 1 1 428.617 5.218 1 0 IKAFMO O=C(NCCCC[N@@H+]1CC[C@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026720814 563035622 /nfs/dbraw/zinc/03/56/22/563035622.db2.gz GFWJJPMDPCQZBK-NSOVKSMOSA-N 1 1 440.587 5.374 1 0 IKAFMO Cc1cccc2c1C(=O)N(CCCCC[N@@H+]1CC=C(c3c[nH]c4ccccc34)CC1)C2=O ZINC000027331869 563041769 /nfs/dbraw/zinc/04/17/69/563041769.db2.gz XRYOHUILNZTLBQ-UHFFFAOYSA-N 1 1 427.548 5.032 1 0 IKAFMO O=C1c2cccc(F)c2C(=O)N1CCCCC[N@@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000027406257 563041794 /nfs/dbraw/zinc/04/17/94/563041794.db2.gz ISWUHEUWAVWBQS-UHFFFAOYSA-N 1 1 449.501 5.002 1 0 IKAFMO CCCC[N@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518428 563042613 /nfs/dbraw/zinc/04/26/13/563042613.db2.gz ONLUPAGVWPDBBI-QQSVUBKYSA-N 1 1 436.640 6.228 1 0 IKAFMO O[C@H](CC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027722100 563045909 /nfs/dbraw/zinc/04/59/09/563045909.db2.gz XZLWEAUXXFHNAP-AREMUKBSSA-N 1 1 436.477 5.530 1 0 IKAFMO O[C@H](CC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027722100 563045911 /nfs/dbraw/zinc/04/59/11/563045911.db2.gz XZLWEAUXXFHNAP-AREMUKBSSA-N 1 1 436.477 5.530 1 0 IKAFMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000027727575 563045936 /nfs/dbraw/zinc/04/59/36/563045936.db2.gz WZIMAOZBBMLXCC-VWLOTQADSA-N 1 1 427.632 7.218 1 0 IKAFMO Cn1c2ccccc2c2c1CC[C@@H](C[N@@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027738299 563046472 /nfs/dbraw/zinc/04/64/72/563046472.db2.gz MREHFQAOUHEUFA-SFHVURJKSA-N 1 1 427.523 5.333 1 0 IKAFMO Clc1ccc2c(c1Cl)CN(CCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872606 563047652 /nfs/dbraw/zinc/04/76/52/563047652.db2.gz ULNJPZCTZLSICP-UHFFFAOYSA-N 1 1 444.233 6.107 1 0 IKAFMO Clc1ccc2c(c1Cl)CN(CCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872606 563047653 /nfs/dbraw/zinc/04/76/53/563047653.db2.gz ULNJPZCTZLSICP-UHFFFAOYSA-N 1 1 444.233 6.107 1 0 IKAFMO S=c1[nH]c2cccc3c2n1[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)[N@@H+](CC1CC1)C3 ZINC000027878963 563047759 /nfs/dbraw/zinc/04/77/59/563047759.db2.gz HKNUJIRUVQCBJX-CLJLJLNGSA-N 1 1 439.628 6.320 1 0 IKAFMO COc1ccc(C(=O)c2c(N)sc3c2CC[N@H+](Cc2ccccc2)C3)c2ccccc12 ZINC000027884742 563047956 /nfs/dbraw/zinc/04/79/56/563047956.db2.gz CINQYKCYGOMLQB-UHFFFAOYSA-N 1 1 428.557 5.281 1 0 IKAFMO COc1ccc(C(=O)c2c(N)sc3c2CC[N@@H+](Cc2ccccc2)C3)c2ccccc12 ZINC000027884742 563047957 /nfs/dbraw/zinc/04/79/57/563047957.db2.gz CINQYKCYGOMLQB-UHFFFAOYSA-N 1 1 428.557 5.281 1 0 IKAFMO CN(C(=O)Cc1cccc2sccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)CCc1cccs1 ZINC000027895710 563048194 /nfs/dbraw/zinc/04/81/94/563048194.db2.gz CWPJYANXESXODC-FGZHOGPDSA-N 1 1 426.651 5.449 1 0 IKAFMO CCCCN1C(c2ccccc2)[N@@H+](CCCC)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 ZINC000027902365 563048483 /nfs/dbraw/zinc/04/84/83/563048483.db2.gz PYMPKYLGHWDDAD-VSGBNLITSA-N 1 1 444.619 6.797 1 0 IKAFMO CCCCN1C(c2ccccc2)[N@H+](CCCC)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 ZINC000027902365 563048484 /nfs/dbraw/zinc/04/84/84/563048484.db2.gz PYMPKYLGHWDDAD-VSGBNLITSA-N 1 1 444.619 6.797 1 0 IKAFMO CCCCCCN[C@@H](c1ccc(OC)cc1)[C@H]([NH2+]CCCCCC)c1ccc(OC)cc1 ZINC000027986118 563048905 /nfs/dbraw/zinc/04/89/05/563048905.db2.gz YTXIOYFUSXVJGV-HNRBIFIRSA-N 1 1 440.672 6.826 1 0 IKAFMO C[N@@H+](CC1CC1)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028119166 563051046 /nfs/dbraw/zinc/05/10/46/563051046.db2.gz HTQACYPZPIQVHN-HHHXNRCGSA-N 1 1 425.576 5.526 1 0 IKAFMO CCNC(=O)c1ccc(C(c2cccc(F)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028394796 563054622 /nfs/dbraw/zinc/05/46/22/563054622.db2.gz XHQKGIVCXDJJCO-WMPKNSHKSA-N 1 1 444.550 5.797 1 0 IKAFMO CCCC[C@H]1c2c3ccccc3[nH]c2[C@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@H]1[C@@]42CC[N@H+]3C ZINC000028520515 563055914 /nfs/dbraw/zinc/05/59/14/563055914.db2.gz RJLOZLWGWXBUEL-MCFFQHNPSA-N 1 1 428.576 5.712 1 0 IKAFMO Cc1ccc(S(=O)(=O)n2cc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)c3ccccc32)cc1 ZINC000028526105 563056851 /nfs/dbraw/zinc/05/68/51/563056851.db2.gz KADCFEDAPDSNRT-JOCHJYFZSA-N 1 1 430.573 5.176 1 0 IKAFMO CCC(=O)Oc1ccccc1/C=C/C(=O)Oc1cccc([C@]2(CC)CCCC[N@@H+](C)C2)c1 ZINC000028526564 563056959 /nfs/dbraw/zinc/05/69/59/563056959.db2.gz AFHPKFWIWTYKKF-QLWPUQSHSA-N 1 1 435.564 5.384 1 0 IKAFMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1 ZINC000028529215 563057288 /nfs/dbraw/zinc/05/72/88/563057288.db2.gz AWAXPOLEGZALIG-FQEVSTJZSA-N 1 1 430.495 5.438 1 0 IKAFMO O=C(N[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1 ZINC000028529619 563057368 /nfs/dbraw/zinc/05/73/68/563057368.db2.gz JGCWMKASUYCMGE-IBGZPJMESA-N 1 1 446.494 5.318 1 0 IKAFMO O=C(N[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529637 563057371 /nfs/dbraw/zinc/05/73/71/563057371.db2.gz CAXQUECQSWHONO-FQEVSTJZSA-N 1 1 430.495 5.438 1 0 IKAFMO O=C(N[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529637 563057372 /nfs/dbraw/zinc/05/73/72/563057372.db2.gz CAXQUECQSWHONO-FQEVSTJZSA-N 1 1 430.495 5.438 1 0 IKAFMO O=C(CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647187 563060873 /nfs/dbraw/zinc/06/08/73/563060873.db2.gz UIWATRPYPJGZGZ-UHFFFAOYSA-N 1 1 440.802 5.183 1 0 IKAFMO CC(C)c1nc2ccc(-c3ccccc3Cl)cc2c(=O)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000028713643 563063222 /nfs/dbraw/zinc/06/32/22/563063222.db2.gz CRUHNOUIHGMRQX-IBGZPJMESA-N 1 1 438.015 5.961 1 0 IKAFMO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@H+]1CCCC[C@H]1C ZINC000028819842 563065189 /nfs/dbraw/zinc/06/51/89/563065189.db2.gz SEHYKDKJFNZRFG-OAHLLOKOSA-N 1 1 449.378 5.416 1 0 IKAFMO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000028819836 563065238 /nfs/dbraw/zinc/06/52/38/563065238.db2.gz PDPHGOYIBMEXMB-HNNXBMFYSA-N 1 1 449.378 5.273 1 0 IKAFMO CCC[N@@H+](CCCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(ccc3ncccc32)C1 ZINC000028821574 563065478 /nfs/dbraw/zinc/06/54/78/563065478.db2.gz GWEJVOZVKXCEIR-JOCHJYFZSA-N 1 1 431.555 5.894 1 0 IKAFMO O=C(NCCCCN1CCC[N@H+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000028869842 563067415 /nfs/dbraw/zinc/06/74/15/563067415.db2.gz FQXALFLSCOKUML-UHFFFAOYSA-N 1 1 447.648 5.055 1 0 IKAFMO O=C(NCCCC[N@@H+]1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000028869842 563067417 /nfs/dbraw/zinc/06/74/17/563067417.db2.gz FQXALFLSCOKUML-UHFFFAOYSA-N 1 1 447.648 5.055 1 0 IKAFMO O=C(NCCCC[N@H+]1CCCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000028869842 563067419 /nfs/dbraw/zinc/06/74/19/563067419.db2.gz FQXALFLSCOKUML-UHFFFAOYSA-N 1 1 447.648 5.055 1 0 IKAFMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc3cc(-c4ccccc4)oc3c1OC)CC2 ZINC000028878120 563067704 /nfs/dbraw/zinc/06/77/04/563067704.db2.gz FYIAOCVACKOQMX-UHFFFAOYSA-N 1 1 429.516 5.684 1 0 IKAFMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc3cc(-c4ccccc4)oc3c1OC)CC2 ZINC000028878120 563067705 /nfs/dbraw/zinc/06/77/05/563067705.db2.gz FYIAOCVACKOQMX-UHFFFAOYSA-N 1 1 429.516 5.684 1 0 IKAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(F)c3)oc21 ZINC000028877977 563067735 /nfs/dbraw/zinc/06/77/35/563067735.db2.gz DWQCDOMWXOBJOF-UHFFFAOYSA-N 1 1 447.506 5.823 1 0 IKAFMO Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2c[nH]c(NC3CCCC3)[nH+]2)cc1 ZINC000028890512 563068288 /nfs/dbraw/zinc/06/82/88/563068288.db2.gz URAGBINSEHYGQD-UHFFFAOYSA-N 1 1 444.558 6.240 1 0 IKAFMO CC[N@@H+](CCC1CC1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903755 563069224 /nfs/dbraw/zinc/06/92/24/563069224.db2.gz CNNNXILIEROLAZ-UHFFFAOYSA-N 1 1 436.003 5.874 1 0 IKAFMO CC(C)[NH2+]Cc1cccc2nc(-c3[nH]nc4ncc(-c5cncc6ccccc65)cc43)[nH]c21 ZINC000028950071 563069515 /nfs/dbraw/zinc/06/95/15/563069515.db2.gz NTRCIHPFGKPYRR-UHFFFAOYSA-N 1 1 433.519 5.214 1 0 IKAFMO Cc1[nH]nc2c1c(=O)n(C[C@@H](F)C[NH3+])c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957086 563070420 /nfs/dbraw/zinc/07/04/20/563070420.db2.gz IHIQFZIHZGMOLT-IBGZPJMESA-N 1 1 438.591 5.578 1 0 IKAFMO CC(=O)CCCCC[C@H]([NH2+][C@H]1CCCCN1C)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000029133209 563075899 /nfs/dbraw/zinc/07/58/99/563075899.db2.gz CIUMTXQEHQJOHY-IZZNHLLZSA-N 1 1 435.612 5.232 1 0 IKAFMO CC(=O)CCCCC[C@H]([NH2+][C@@H]1CCCCN1C)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000029133211 563075926 /nfs/dbraw/zinc/07/59/26/563075926.db2.gz CIUMTXQEHQJOHY-UIOOFZCWSA-N 1 1 435.612 5.232 1 0 IKAFMO COc1ccc(CC[N@@H+](C)C/C=C/C2(C(C)C)c3ccccc3-c3ccccc32)cc1OC ZINC000029389790 563078829 /nfs/dbraw/zinc/07/88/29/563078829.db2.gz WLMOCICMFBCNTO-VCHYOVAHSA-N 1 1 441.615 6.357 1 0 IKAFMO CC(=O)c1cccc(NC(=O)NCCC[N@H+]2CC3(Cc4ccc(F)cc4)CCC2CC3)c1 ZINC000029396927 563079187 /nfs/dbraw/zinc/07/91/87/563079187.db2.gz BOIFMURGRAHYDS-UHFFFAOYSA-N 1 1 437.559 5.027 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000029404706 563079420 /nfs/dbraw/zinc/07/94/20/563079420.db2.gz QAJDQIPEHMCYPC-FUFSCUOVSA-N 1 1 431.664 7.626 1 0 IKAFMO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000029481079 563081104 /nfs/dbraw/zinc/08/11/04/563081104.db2.gz RLKGOOILEBUPFL-VWLOTQADSA-N 1 1 430.596 5.981 1 0 IKAFMO CC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000034298587 563086024 /nfs/dbraw/zinc/08/60/24/563086024.db2.gz XULKXQDGWXRMRE-UHFFFAOYSA-N 1 1 438.925 5.954 1 0 IKAFMO O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000034802148 563087588 /nfs/dbraw/zinc/08/75/88/563087588.db2.gz KVCMZPILKHYETB-AREMUKBSSA-N 1 1 425.576 5.010 1 0 IKAFMO CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000034984449 563088594 /nfs/dbraw/zinc/08/85/94/563088594.db2.gz NYFXIMCEKNFZKB-SANMLTNESA-N 1 1 442.603 5.170 1 0 IKAFMO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](CC1CC1)CC3 ZINC000036221691 563092086 /nfs/dbraw/zinc/09/20/86/563092086.db2.gz VSBFHNWLJXFFTK-OROMBRFGSA-N 1 1 430.592 5.444 1 0 in-vivo IKAFMO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000036221708 563092151 /nfs/dbraw/zinc/09/21/51/563092151.db2.gz VTNMTWBEHGIRGV-BOSLPAGOSA-N 1 1 444.619 5.834 1 0 in-vivo IKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000036270776 563092482 /nfs/dbraw/zinc/09/24/82/563092482.db2.gz QZJCKWFHBYEESM-RRPNLBNLSA-N 1 1 448.006 6.141 1 0 IKAFMO CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)[nH+]c2ccccn21 ZINC000036382353 563093955 /nfs/dbraw/zinc/09/39/55/563093955.db2.gz HLGCHERTBMGZKN-UHFFFAOYSA-N 1 1 433.577 6.382 3 0 IKAFMO CCC[N@@H+](CCCCNc1ccnc2cc(Cl)ccc21)Cc1c(F)cccc1OC ZINC000036474296 563095442 /nfs/dbraw/zinc/09/54/42/563095442.db2.gz PHGNXDJTAZLWNF-UHFFFAOYSA-N 1 1 429.967 6.140 1 0 IKAFMO C/C=C/C[N@@H+]1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)[C@@H](C)C1 ZINC000038156728 563096888 /nfs/dbraw/zinc/09/68/88/563096888.db2.gz HHHAZGZTYBCEPX-QDLRQAPESA-N 1 1 435.612 5.299 1 0 IKAFMO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccncc6)CC[C@]5(C)[C@H]4CC[C@]23C[N@H+]1C ZINC000038226426 563097025 /nfs/dbraw/zinc/09/70/25/563097025.db2.gz SIAZZAOZIXBLFV-YRAUUYEASA-N 1 1 447.667 5.415 1 0 IKAFMO c1ccc(C(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000038639950 563098086 /nfs/dbraw/zinc/09/80/86/563098086.db2.gz CLZJJBZJUIWHJT-UHFFFAOYSA-N 1 1 446.638 6.616 1 0 in-vivo IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2cccc(Cl)c2)c1 ZINC000039643436 563099274 /nfs/dbraw/zinc/09/92/74/563099274.db2.gz URFNYEBRYIPPSY-FQNJNTOFSA-N 1 1 440.071 7.350 1 0 IKAFMO Cc1ncoc1C[NH+]1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc32)CC1 ZINC000040423698 563102742 /nfs/dbraw/zinc/10/27/42/563102742.db2.gz CRGWNCVWUAJNON-UHFFFAOYSA-N 1 1 429.568 5.146 1 0 IKAFMO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23C[N@H+]1C ZINC000040848882 563107871 /nfs/dbraw/zinc/10/78/71/563107871.db2.gz TTZKMXJRVUDQEX-HKUZGXNYSA-N 1 1 446.679 6.020 1 0 IKAFMO c1ccc2c(c1)c1ccccc1n2CCCCN1CC[NH+](CCCC2CCCCC2)CC1 ZINC000040867147 563108950 /nfs/dbraw/zinc/10/89/50/563108950.db2.gz WCORUVBXFPSZRY-UHFFFAOYSA-N 1 1 431.668 6.553 1 0 IKAFMO CCOC(=O)[C@](CCC[N@@H+](C)CCCc1nc2ccccc2[nH]1)(c1ccccc1)C(C)C ZINC000040879283 563109636 /nfs/dbraw/zinc/10/96/36/563109636.db2.gz PVDJWOVUBFJXRE-MHZLTWQESA-N 1 1 435.612 5.365 1 0 IKAFMO O[C@@]12CCCC[C@@]13CC[N@@H+](CC1CCC1)[C@@H]2Cc1ccc(OCCc2ccccc2)cc13 ZINC000040979496 563115590 /nfs/dbraw/zinc/11/55/90/563115590.db2.gz JGMKSFHRPUGTJG-SSBOKUKZSA-N 1 1 431.620 5.282 1 0 IKAFMO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[N@H+]2C ZINC000042887592 563115937 /nfs/dbraw/zinc/11/59/37/563115937.db2.gz RPNUGHPOPSPHKR-XMSHHSNWSA-N 1 1 427.673 5.629 1 0 IKAFMO C[N@@H+](CC1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043014423 563116769 /nfs/dbraw/zinc/11/67/69/563116769.db2.gz LSOVNGNFKVHURS-UHFFFAOYSA-N 1 1 434.603 5.705 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(CCC)cc3)cc2)CC1 ZINC000045167517 563122334 /nfs/dbraw/zinc/12/23/34/563122334.db2.gz JNPYESGGSLQFEI-UHFFFAOYSA-N 1 1 435.656 5.979 1 0 IKAFMO Clc1ccc(CNc2cc[nH+]c(NCc3ccc4c(c3)OCCCO4)n2)c(Cl)c1 ZINC000045187165 563122869 /nfs/dbraw/zinc/12/28/69/563122869.db2.gz INEODTSOWJETCG-UHFFFAOYSA-N 1 1 431.323 5.169 1 0 IKAFMO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CC4CCCCC4)C3)cc2)cc1 ZINC000045187626 563122918 /nfs/dbraw/zinc/12/29/18/563122918.db2.gz OMFVWFCAPZAQKA-SANMLTNESA-N 1 1 447.623 5.447 1 0 IKAFMO Cc1cccc(-c2cc3cc(Nc4cc[nH+]c5cc(-c6nccs6)ccc45)ccc3[nH]2)c1 ZINC000045189681 563123322 /nfs/dbraw/zinc/12/33/22/563123322.db2.gz YGAXZOLXMGSNBP-UHFFFAOYSA-N 1 1 432.552 7.559 1 0 IKAFMO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000045192973 563124014 /nfs/dbraw/zinc/12/40/14/563124014.db2.gz IIOMBQIUJYHZOM-UHFFFAOYSA-N 1 1 442.538 5.138 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000045195459 563124421 /nfs/dbraw/zinc/12/44/21/563124421.db2.gz GVMRZPFPVIVRSB-UHFFFAOYSA-N 1 1 440.031 5.680 1 0 IKAFMO [NH3+][C@@H]1CCN(Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045202093 563124928 /nfs/dbraw/zinc/12/49/28/563124928.db2.gz OEIBHBZHJLETLH-OAQYLSRUSA-N 1 1 436.481 5.449 1 0 IKAFMO Cc1[nH]c2cc(F)ccc2c1C1=CC[N@@H+](CCCC[C@@]2(C)c3ccccc3NC2=O)CC1 ZINC000045202373 563124968 /nfs/dbraw/zinc/12/49/68/563124968.db2.gz MBBSWYDLJARDFZ-MHZLTWQESA-N 1 1 431.555 5.785 1 0 IKAFMO Cc1cccc2nc(-c3ccc(-c4ccc(C[NH2+]CCCN5CCCC5=O)cc4)s3)[nH]c21 ZINC000045203007 563125143 /nfs/dbraw/zinc/12/51/43/563125143.db2.gz LGDIRLCUNFEYJF-UHFFFAOYSA-N 1 1 444.604 5.369 1 0 IKAFMO C[C@@H]1CN(c2ccnc3ccc(Sc4ccc(Oc5ccccc5)cc4)cc32)C[C@@H](C)[NH2+]1 ZINC000045203045 563125175 /nfs/dbraw/zinc/12/51/75/563125175.db2.gz PWOXOZQCXYPBMY-WOJBJXKFSA-N 1 1 441.600 6.365 1 0 IKAFMO COc1ccc(-c2cc(Nc3nc(-c4cccc(Cl)c4)nc4ccccc43)cc[nH+]2)cc1 ZINC000045210209 563125337 /nfs/dbraw/zinc/12/53/37/563125337.db2.gz VVCMMKWMFITLQY-UHFFFAOYSA-N 1 1 438.918 6.764 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCCN(Cc3cccc(O)c3)CC2)cc1 ZINC000045211226 563125367 /nfs/dbraw/zinc/12/53/67/563125367.db2.gz OMFZIXUTMGLNHE-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC[N@@H+](Cc3cccc(O)c3)CC2)cc1 ZINC000045211226 563125369 /nfs/dbraw/zinc/12/53/69/563125369.db2.gz OMFZIXUTMGLNHE-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC[N@H+](Cc3cccc(O)c3)CC2)cc1 ZINC000045211226 563125371 /nfs/dbraw/zinc/12/53/71/563125371.db2.gz OMFZIXUTMGLNHE-UHFFFAOYSA-N 1 1 449.982 5.006 1 0 IKAFMO c1ccc2[nH]c(-c3cccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)c3)nc2c1 ZINC000045227619 563125603 /nfs/dbraw/zinc/12/56/03/563125603.db2.gz KOFMEMRVNHJGTP-UHFFFAOYSA-N 1 1 445.570 5.614 1 0 IKAFMO CC(C)c1ccc(NC(=O)c2cccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)c2)cc1 ZINC000045227551 563125612 /nfs/dbraw/zinc/12/56/12/563125612.db2.gz DBGWRFDUBSVTME-UHFFFAOYSA-N 1 1 447.667 6.150 1 0 IKAFMO CCCC[N@H+]1CC[C@@H](CC[C@H](O)c2cc(OCCC)nc3ccc(OC)cc32)[C@@H](CC)C1 ZINC000045228191 563125616 /nfs/dbraw/zinc/12/56/16/563125616.db2.gz NAMCTIVEBSSCFX-UZINWLIJSA-N 1 1 442.644 5.994 1 0 IKAFMO CCC[N@H+]1CCC=C(c2cccc(Nc3nccc(Nc4cc(OC)ccc4C)n3)c2)C1 ZINC000045227708 563125623 /nfs/dbraw/zinc/12/56/23/563125623.db2.gz IXCRNKCVTDMWCO-UHFFFAOYSA-N 1 1 429.568 5.780 1 0 IKAFMO CC(C)(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045228188 563125646 /nfs/dbraw/zinc/12/56/46/563125646.db2.gz JMWNJNCWIFNPPX-INIZCTEOSA-N 1 1 438.559 5.922 1 0 IKAFMO CN1CCC[N@@H+](Cc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2)CC1 ZINC000045228468 563125726 /nfs/dbraw/zinc/12/57/26/563125726.db2.gz HVKWBDKOIKYIIG-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2)CC1 ZINC000045228468 563125727 /nfs/dbraw/zinc/12/57/27/563125727.db2.gz HVKWBDKOIKYIIG-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2)CC1 ZINC000045228468 563125728 /nfs/dbraw/zinc/12/57/28/563125728.db2.gz HVKWBDKOIKYIIG-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO CC(C)CC[N@H+]1CC[C@@H](Oc2ccc(NC(=O)c3ccc4ncccc4c3)cc2Cl)C1 ZINC000045228498 563125742 /nfs/dbraw/zinc/12/57/42/563125742.db2.gz JYPOPVDYXQMKTE-OAQYLSRUSA-N 1 1 437.971 5.640 1 0 IKAFMO Cc1ccc2c(c1)[nH+]c(N1CCC1)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045254734 563127145 /nfs/dbraw/zinc/12/71/45/563127145.db2.gz LRLFSSDGEWJOLP-UHFFFAOYSA-N 1 1 441.510 5.152 1 0 IKAFMO C[N@H+]1CC[C@@H](Oc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2Cl)C1 ZINC000045301402 563129207 /nfs/dbraw/zinc/12/92/07/563129207.db2.gz UFDAKJBNFZVFBG-CYBMUJFWSA-N 1 1 448.272 5.739 1 0 IKAFMO CCCCC[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000045301776 563129295 /nfs/dbraw/zinc/12/92/95/563129295.db2.gz RVTTYHSALMSRNP-JOCHJYFZSA-N 1 1 445.647 7.463 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000045302149 563129385 /nfs/dbraw/zinc/12/93/85/563129385.db2.gz KNFBZZPLYUVTJW-UHFFFAOYSA-N 1 1 429.555 5.305 1 0 IKAFMO O=C(NC1CCC(CC[N@H+]2Cc3cccc(F)c3C2)CC1)c1cccc(-c2cccnc2)c1 ZINC000045302581 563129583 /nfs/dbraw/zinc/12/95/83/563129583.db2.gz KDZNBXCDLMGGAX-UHFFFAOYSA-N 1 1 443.566 5.582 1 0 IKAFMO CCCCCC(=O)Oc1ccccc1-c1[nH+]c2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000045320053 563130210 /nfs/dbraw/zinc/13/02/10/563130210.db2.gz VMPGLGQPIADLGS-UHFFFAOYSA-N 1 1 449.639 7.422 1 0 IKAFMO CC(C)c1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045322087 563130281 /nfs/dbraw/zinc/13/02/81/563130281.db2.gz KNYWTMDGRGSBNL-FQEVSTJZSA-N 1 1 436.596 5.930 1 0 IKAFMO O=C(Nc1ccc2c(c1)CC[N@@H+](C1CCC1)CC2)c1ccc(-c2cn3ccccc3n2)cc1 ZINC000045323053 563130562 /nfs/dbraw/zinc/13/05/62/563130562.db2.gz NGZSLPGAWXSMDN-UHFFFAOYSA-N 1 1 436.559 5.207 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@H+](Cc3ccco3)C2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045323004 563130571 /nfs/dbraw/zinc/13/05/71/563130571.db2.gz HUQZWMBICXNIEI-NRFANRHFSA-N 1 1 447.922 5.387 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@@H+](Cc3ccco3)C2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045323004 563130572 /nfs/dbraw/zinc/13/05/72/563130572.db2.gz HUQZWMBICXNIEI-NRFANRHFSA-N 1 1 447.922 5.387 1 0 IKAFMO Cc1ccc2nc(-c3ccccc3Nc3ccnc4cc(-c5nccs5)ccc43)[nH]c2c1 ZINC000045323860 563130726 /nfs/dbraw/zinc/13/07/26/563130726.db2.gz IAEPRKXFLZTZGB-UHFFFAOYSA-N 1 1 433.540 6.954 1 0 IKAFMO COc1ccccc1-c1csc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000045324036 563130739 /nfs/dbraw/zinc/13/07/39/563130739.db2.gz GACHOAGHMGEPQC-OAQYLSRUSA-N 1 1 448.632 5.799 1 0 IKAFMO COc1ccccc1-c1csc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000045324040 563130821 /nfs/dbraw/zinc/13/08/21/563130821.db2.gz GACHOAGHMGEPQC-NRFANRHFSA-N 1 1 448.632 5.799 1 0 IKAFMO COc1cccc(-c2csc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccc(C(C)C)cc4)C3)c2)c1 ZINC000045335393 563131286 /nfs/dbraw/zinc/13/12/86/563131286.db2.gz PVIYXJOTFNUKQR-NRFANRHFSA-N 1 1 448.632 5.799 1 0 IKAFMO CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CC[N@H+]2C)cc1 ZINC000045355728 563132605 /nfs/dbraw/zinc/13/26/05/563132605.db2.gz KMTWVLYZPPJEHR-AHKZPQOWSA-N 1 1 432.995 5.713 1 0 IKAFMO CCCCCCC(=O)Oc1ccccc1-c1[nH+]c2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000045364166 563132901 /nfs/dbraw/zinc/13/29/01/563132901.db2.gz XZRIIOXNPQOAIK-UHFFFAOYSA-N 1 1 449.639 7.504 1 0 IKAFMO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CCC1 ZINC000049125032 563138860 /nfs/dbraw/zinc/13/88/60/563138860.db2.gz JIKDNVBBGMVNNF-UHFFFAOYSA-N 1 1 448.577 6.381 1 0 IKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000052603517 563140829 /nfs/dbraw/zinc/14/08/29/563140829.db2.gz ZGZNFZMNAFLLAL-GRDZPNQDSA-N 1 1 439.559 5.266 1 0 IKAFMO Cc1cc2[nH+]c(NCCCO)n(CC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2cc1C ZINC000053293632 563141714 /nfs/dbraw/zinc/14/17/14/563141714.db2.gz LBJDSZHRBUNYTP-UHFFFAOYSA-N 1 1 449.639 5.925 1 0 IKAFMO O=C(NCCCC[N@@H+]1CC[C@@H]2c3cccc(O)c3CC[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000058494529 563143595 /nfs/dbraw/zinc/14/35/95/563143595.db2.gz CYBHGHQYVGGXRB-XNMGPUDCSA-N 1 1 440.587 5.374 1 0 IKAFMO C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5ccc(C(=O)[O-])cc5)cc34)cc2)CC1 ZINC000058538072 563144051 /nfs/dbraw/zinc/14/40/51/563144051.db2.gz XIUINWUMVJSAEM-UHFFFAOYSA-N 1 1 438.531 5.095 1 0 IKAFMO Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 ZINC000059260217 563146479 /nfs/dbraw/zinc/14/64/79/563146479.db2.gz RHEVIGLLTLURAQ-HRAATJIYSA-N 1 1 447.410 6.009 1 0 IKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(C)CCCc1ccccc1 ZINC000061898482 563147681 /nfs/dbraw/zinc/14/76/81/563147681.db2.gz LXWPWJYJCJAAJU-UHFFFAOYSA-N 1 1 442.563 5.227 3 0 IKAFMO CC(=O)c1cc2cccc(O[C@]3(C)CC[N@@H+](Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907733 563148887 /nfs/dbraw/zinc/14/88/87/563148887.db2.gz BNZVULXUJTVIDV-HHHXNRCGSA-N 1 1 426.516 5.741 3 0 IKAFMO C[C@@]1(Oc2cnc(Cl)c3ccccc23)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061928289 563150322 /nfs/dbraw/zinc/15/03/22/563150322.db2.gz WVQCRCMIKQLUBN-OAQYLSRUSA-N 1 1 436.861 5.830 3 0 IKAFMO O[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CCc2cc(OCc3ccccc3)ccc21 ZINC000064559937 563156156 /nfs/dbraw/zinc/15/61/56/563156156.db2.gz FYYPECHDWYQIST-PMERELPUSA-N 1 1 435.567 6.024 1 0 IKAFMO Fc1ccc(-c2ncn([C@H]3CC[N@@H+](Cc4ccccc4)C3)c2-c2ccc3n[nH]cc3c2)cc1 ZINC000066073646 563157225 /nfs/dbraw/zinc/15/72/25/563157225.db2.gz PJNPAVYZHHPABL-DEOSSOPVSA-N 1 1 437.522 5.680 1 0 IKAFMO CCCCCC[N@H+]1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000072135640 563164062 /nfs/dbraw/zinc/16/40/62/563164062.db2.gz NLUWSXLDLFCXDE-CYXNTTPDSA-N 1 1 436.575 5.322 1 0 IKAFMO CSCC[C@H](C(=O)Nc1c(C)cccc1C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000072134109 563164111 /nfs/dbraw/zinc/16/41/11/563164111.db2.gz FFVLPFHAQBBIGQ-RUZDIDTESA-N 1 1 432.633 6.066 3 0 IKAFMO CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072182406 563167423 /nfs/dbraw/zinc/16/74/23/563167423.db2.gz FJBCUMMNSGNIKH-OAQYLSRUSA-N 1 1 445.485 5.337 1 0 IKAFMO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184750 563167894 /nfs/dbraw/zinc/16/78/94/563167894.db2.gz YULZIQNVMXNVSA-OFVILXPXSA-N 1 1 433.596 5.287 1 0 IKAFMO COc1cc(F)c(CN(Cc2ccc(SC)cc2)c2ccc3[nH]c[nH+]c3c2)cc1OC ZINC000072317635 563168418 /nfs/dbraw/zinc/16/84/18/563168418.db2.gz JMXDDDQZGVUFAW-UHFFFAOYSA-N 1 1 437.540 5.648 1 0 IKAFMO COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@H](OC(C)=O)c1ccccc1)[C@H]3[N@@H+](C)CC2 ZINC000073373201 563172662 /nfs/dbraw/zinc/17/26/62/563172662.db2.gz IGRKHRUNPPEQNP-GMQQYTKMSA-N 1 1 443.543 5.301 1 0 IKAFMO O[C@@H](c1ccnc2ccccc21)[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2/C=C/c1ccc(-c2ccccc2)cc1 ZINC000084615991 563174381 /nfs/dbraw/zinc/17/43/81/563174381.db2.gz XAKLQPBPGWOSGA-SERPZFNSSA-N 1 1 446.594 6.359 1 0 IKAFMO [NH3+]CCN[C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688884 563176086 /nfs/dbraw/zinc/17/60/86/563176086.db2.gz GGZZZDGZFLLSDQ-JOCHJYFZSA-N 1 1 425.601 5.657 1 0 IKAFMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@@H](O)CSc1ccccc1C)CC2 ZINC000084690809 563176533 /nfs/dbraw/zinc/17/65/33/563176533.db2.gz OZMKKJGPXDCKLL-AMGIVPHBSA-N 1 1 449.616 5.113 1 0 IKAFMO CCCCNC(=O)c1cc(NC(=O)C[NH+]2CCCCC2)ccc1Oc1ccc(Cl)cc1 ZINC000084713778 563177789 /nfs/dbraw/zinc/17/77/89/563177789.db2.gz PPIXXSVBMCYVHW-UHFFFAOYSA-N 1 1 443.975 5.087 1 0 IKAFMO C[NH+]1CCN(CCCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562200 563182573 /nfs/dbraw/zinc/18/25/73/563182573.db2.gz DOUDDYLEUDBZLJ-QTOQHBCNSA-N 1 1 442.691 6.215 1 0 IKAFMO Cc1ccc(C[N@H+](CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 ZINC000095562082 563182594 /nfs/dbraw/zinc/18/25/94/563182594.db2.gz CGRLIJVNZSOVAK-UHFFFAOYSA-N 1 1 435.564 5.055 1 0 IKAFMO Cc1ccc(C[N@@H+](CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 ZINC000095562082 563182595 /nfs/dbraw/zinc/18/25/95/563182595.db2.gz CGRLIJVNZSOVAK-UHFFFAOYSA-N 1 1 435.564 5.055 1 0 IKAFMO Nc1c2c([nH+]c3c1[C@@H](c1c(Cl)cccc1Cl)c1ccc4ccccc4c1O3)CCCC2 ZINC000095562891 563182739 /nfs/dbraw/zinc/18/27/39/563182739.db2.gz UCYMJDLWIMOPFK-OAQYLSRUSA-N 1 1 447.365 7.289 1 0 IKAFMO CCN1CC[NH+](Cc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562713 563182751 /nfs/dbraw/zinc/18/27/51/563182751.db2.gz GOBMXPRHAMNLFG-CTSDKZEDSA-N 1 1 428.664 6.172 1 0 IKAFMO S=C(Sc1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095579605 563187104 /nfs/dbraw/zinc/18/71/04/563187104.db2.gz QPKFJTBQIBWVEF-UHFFFAOYSA-N 1 1 439.049 6.124 1 0 IKAFMO CC(C)(C)c1cc(-c2ccc([C@@]3(O)C[N@@H+]4CCCC[C@@H]4CO3)cc2)cc(C(C)(C)C)c1O ZINC000095590600 563190130 /nfs/dbraw/zinc/19/01/30/563190130.db2.gz NSTVWXQNDPCSER-SKCUWOTOSA-N 1 1 437.624 5.684 1 0 IKAFMO CC(C)(C)c1cc(-c2ccc([C@@]3(O)C[N@H+]4CCCC[C@@H]4CO3)cc2)cc(C(C)(C)C)c1O ZINC000095590600 563190131 /nfs/dbraw/zinc/19/01/31/563190131.db2.gz NSTVWXQNDPCSER-SKCUWOTOSA-N 1 1 437.624 5.684 1 0 IKAFMO c1nn(-c2cc3ccc2CCc2ccc(cc2)CC3)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000095590708 563190136 /nfs/dbraw/zinc/19/01/36/563190136.db2.gz VMUIVGHGONOVFW-UHFFFAOYSA-N 1 1 448.614 5.078 1 0 IKAFMO Cc1cc2c(cccc2OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc4ccsc4c3)C[C@@H]2C)[nH]1 ZINC000095607329 563194122 /nfs/dbraw/zinc/19/41/22/563194122.db2.gz HUYCOYHIJGTDIA-BWAGFHJFSA-N 1 1 434.605 5.699 1 0 IKAFMO Cc1cc2c(cccc2OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc4c(C)csc4c3)C[C@@H]2C)[nH]1 ZINC000095607316 563194140 /nfs/dbraw/zinc/19/41/40/563194140.db2.gz PXNVVRKULLMJLQ-NNWRFLSQSA-N 1 1 448.632 6.007 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)[N@H+]2CC1CCCCC1 ZINC000095894277 563194955 /nfs/dbraw/zinc/19/49/55/563194955.db2.gz ATFYIVPHCQLLCO-KMDXXIMOSA-N 1 1 439.987 5.101 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)[N@@H+]2CC1CCCCC1 ZINC000095894277 563194956 /nfs/dbraw/zinc/19/49/56/563194956.db2.gz ATFYIVPHCQLLCO-KMDXXIMOSA-N 1 1 439.987 5.101 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)[N@H+]2CC1CCCCC1 ZINC000095894276 563194958 /nfs/dbraw/zinc/19/49/58/563194958.db2.gz ATFYIVPHCQLLCO-SMIHKQSGSA-N 1 1 439.987 5.101 1 0 IKAFMO O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)[N@@H+]2CC1CCCCC1 ZINC000095894276 563194959 /nfs/dbraw/zinc/19/49/59/563194959.db2.gz ATFYIVPHCQLLCO-SMIHKQSGSA-N 1 1 439.987 5.101 1 0 IKAFMO O=c1c(CNc2cc(N3CCCCC3)[nH+]cn2)cn(-c2ccccc2)c2cc(Cl)ccc12 ZINC000096170265 563195625 /nfs/dbraw/zinc/19/56/25/563195625.db2.gz WKRNYVKZKGKPCY-UHFFFAOYSA-N 1 1 445.954 5.037 1 0 IKAFMO OC[C@H]1CCCC[N@H+]1CCc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000096273991 563196939 /nfs/dbraw/zinc/19/69/39/563196939.db2.gz BQPUVTIMJZTEDW-LJQANCHMSA-N 1 1 428.001 5.596 1 0 IKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2cccnc2)cc1 ZINC000096929258 563198538 /nfs/dbraw/zinc/19/85/38/563198538.db2.gz OOXBDMODOQZHBO-LVXARBLLSA-N 1 1 440.591 5.372 1 0 IKAFMO C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(F)(F)F)c2)C1 ZINC000096929277 563198583 /nfs/dbraw/zinc/19/85/83/563198583.db2.gz VQACOJQVPZPBMB-DOTOQJQBSA-N 1 1 435.465 5.160 1 0 IKAFMO CC(C)(C)c1ccc(-c2nn(CCC[NH+]3CCN(c4ccccc4)CC3)c(=S)[nH]2)cc1 ZINC000096934128 563199235 /nfs/dbraw/zinc/19/92/35/563199235.db2.gz WZLRGIJSXMFVIB-UHFFFAOYSA-N 1 1 435.641 5.117 1 0 IKAFMO COc1cc2cc(c1OC)Oc1ccc(cc1)CCC(=O)O[C@H]1C[C@H]3CCCC[N@H+]3[C@H]2C1 ZINC000033832710 560088208 /nfs/dbraw/zinc/08/82/08/560088208.db2.gz RYPKMVJQIHUNPG-HJNYFJLDSA-N 1 1 437.536 5.044 1 0 biogenic,in-vitro IKAFMO O=C1Nc2ccc(Cl)c3c2[C@]1(CCCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1)CCC3 ZINC000001910864 562925406 /nfs/dbraw/zinc/92/54/06/562925406.db2.gz UWPMACBSCARCRJ-SANMLTNESA-N 1 1 438.974 5.965 1 0 IKAFMO C[N@H+]1CCCC[C@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1O ZINC000003809273 562938353 /nfs/dbraw/zinc/93/83/53/562938353.db2.gz BPSJUELGMDRIEX-DEOSSOPVSA-N 1 1 430.548 5.434 1 0 IKAFMO OC1(c2cccnn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000003816127 562938637 /nfs/dbraw/zinc/93/86/37/562938637.db2.gz IRRWZIHKAODIIS-LDSCYUJKSA-N 1 1 440.374 5.387 1 0 IKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000003928087 562939362 /nfs/dbraw/zinc/93/93/62/562939362.db2.gz UJNGTNSLEZLHFI-GDLZYMKVSA-N 1 1 440.631 6.133 1 0 IKAFMO COCn1c2ccccc2c2c1C[N@@H+](CCCC[C@@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000003941387 562939597 /nfs/dbraw/zinc/93/95/97/562939597.db2.gz CRRKLNGYPLRVMF-MUUNZHRXSA-N 1 1 443.591 5.000 1 0 IKAFMO COCn1c2ccccc2c2c1C[N@H+](CCCC[C@@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000003941387 562939598 /nfs/dbraw/zinc/93/95/98/562939598.db2.gz CRRKLNGYPLRVMF-MUUNZHRXSA-N 1 1 443.591 5.000 1 0 IKAFMO O=C(NCCCC[N@H+]1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000003988542 562940455 /nfs/dbraw/zinc/94/04/55/562940455.db2.gz VPTSFCYJNNWWFV-HHHXNRCGSA-N 1 1 439.603 5.001 1 0 IKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)C1CCC1)c2NC(C)(C)CC(C)(C)C ZINC000004172800 562942544 /nfs/dbraw/zinc/94/25/44/562942544.db2.gz QDCKWFUSBXXLAJ-UHFFFAOYSA-N 1 1 433.596 6.642 1 0 IKAFMO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000005596653 562944396 /nfs/dbraw/zinc/94/43/96/562944396.db2.gz NYJQZRBPKNCCPF-GCJKJVERSA-N 1 1 443.513 5.995 1 0 IKAFMO FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005596650 562944415 /nfs/dbraw/zinc/94/44/15/562944415.db2.gz WKYZJMVWIWKDNY-DYESRHJHSA-N 1 1 447.932 6.640 1 0 IKAFMO C[C@H](CCc1[nH]cc[nH+]1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000005890480 562945351 /nfs/dbraw/zinc/94/53/51/562945351.db2.gz AUDPHZXRKNUGBV-WJCUAGRGSA-N 1 1 438.700 7.089 1 0 IKAFMO CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008017230 562948857 /nfs/dbraw/zinc/94/88/57/562948857.db2.gz NVWOKJJKHBGSCM-QFIPXVFZSA-N 1 1 444.558 5.037 1 0 IKAFMO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@H]2C)c(NC2CCCCC2)n1 ZINC000008017440 562948874 /nfs/dbraw/zinc/94/88/74/562948874.db2.gz MZEJIRYFUZJFCV-HXUWFJFHSA-N 1 1 446.643 5.811 1 0 IKAFMO c1ccc([C@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008585168 562950030 /nfs/dbraw/zinc/95/00/30/562950030.db2.gz ARTFQYBWFCKHSN-ORKTZOGASA-N 1 1 447.666 7.755 3 0 IKAFMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597790 562954098 /nfs/dbraw/zinc/95/40/98/562954098.db2.gz KRTUKSGRAZZDPW-FQEVSTJZSA-N 1 1 437.971 5.140 1 0 IKAFMO C[N@H+]1C[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008690094 562963176 /nfs/dbraw/zinc/96/31/76/562963176.db2.gz KNAYUGWIXSDDAM-MUUWIZIASA-N 1 1 434.505 6.219 3 0 IKAFMO O=C(c1cc2ccccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011664997 562978927 /nfs/dbraw/zinc/97/89/27/562978927.db2.gz LUUZDBRTNSJXPU-JOCHJYFZSA-N 1 1 430.596 5.250 3 0 IKAFMO O=C(c1cc2ccccc2[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011664998 562978976 /nfs/dbraw/zinc/97/89/76/562978976.db2.gz LUUZDBRTNSJXPU-QFIPXVFZSA-N 1 1 430.596 5.250 3 0 IKAFMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(-c3ccccc3Cl)o1)CCO2 ZINC000012029107 562980424 /nfs/dbraw/zinc/98/04/24/562980424.db2.gz VHBJQIODQZLBSG-AREMUKBSSA-N 1 1 446.934 5.471 1 0 IKAFMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc(-c3ccccc3Cl)o1)CCO2 ZINC000012029107 562980425 /nfs/dbraw/zinc/98/04/25/562980425.db2.gz VHBJQIODQZLBSG-AREMUKBSSA-N 1 1 446.934 5.471 1 0 IKAFMO C[C@@H](CCc1ccc(O)cc1)[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000012031363 562980452 /nfs/dbraw/zinc/98/04/52/562980452.db2.gz MZGYISGPSJXIML-KRWDZBQOSA-N 1 1 446.572 5.590 1 0 IKAFMO CC(C)n1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012111922 562980826 /nfs/dbraw/zinc/98/08/26/562980826.db2.gz RCEPLTQHRCQLIM-HSZRJFAPSA-N 1 1 441.579 5.463 3 0 IKAFMO O=C1CC[N@@H+](CCc2ccccc2)CCN1[C@H](CSc1ccccc1)c1ccccc1 ZINC000012474423 562982227 /nfs/dbraw/zinc/98/22/27/562982227.db2.gz OVPXVDTVZJWVGC-AREMUKBSSA-N 1 1 430.617 5.297 3 0 IKAFMO Nc1[nH]c2cc3c(cc2[nH+]1)[C@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 ZINC000013451113 562987296 /nfs/dbraw/zinc/98/72/96/562987296.db2.gz MMVXYUMFIOTUHZ-JOCHJYFZSA-N 1 1 435.574 5.148 1 0 IKAFMO CN(C)Cc1ccc(CSCc2ccccc2CSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452600 562987544 /nfs/dbraw/zinc/98/75/44/562987544.db2.gz NSDLLBNDBVHZTN-UHFFFAOYSA-N 1 1 444.666 5.863 1 0 IKAFMO C[N@@H+](CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Cc1ccccc1 ZINC000013454357 562987644 /nfs/dbraw/zinc/98/76/44/562987644.db2.gz XXTUDZIPHKNILV-UHFFFAOYSA-N 1 1 441.571 6.531 1 0 IKAFMO Clc1ccc([C@@H](OCCC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)cc1 ZINC000013487743 562989439 /nfs/dbraw/zinc/98/94/39/562989439.db2.gz DSXUYALCKWYNBT-VYJMLLJBSA-N 1 1 446.034 7.279 1 0 IKAFMO Nc1cc(Cl)ccc1C(=O)CCC[N@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488000 562989594 /nfs/dbraw/zinc/98/95/94/562989594.db2.gz NYDZDBFAMUDWJX-FPOVZHCZSA-N 1 1 442.028 5.059 1 0 IKAFMO Cc1cc2sc([C@@H]3CC[N@@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc2c(C)c1 ZINC000013535683 562992397 /nfs/dbraw/zinc/99/23/97/562992397.db2.gz SXULKULQYARJNC-HBMCJLEFSA-N 1 1 448.632 6.007 1 0 IKAFMO C[C@H]1C[C@H](c2cc3c(cccc3F)s2)CC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535691 562992446 /nfs/dbraw/zinc/99/24/46/562992446.db2.gz KEZUWXKXXJLJQP-KSZLIROESA-N 1 1 438.568 5.530 1 0 IKAFMO C[C@H]1C[C@H](c2cc3cccc(F)c3s2)CC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535698 562992478 /nfs/dbraw/zinc/99/24/78/562992478.db2.gz YBWIVXPYNCSJKS-SCTDSRPQSA-N 1 1 438.568 5.530 1 0 IKAFMO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc([C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000013645873 562998705 /nfs/dbraw/zinc/99/87/05/562998705.db2.gz CYKJYRMLQDBGCW-DHIUTWEWSA-N 1 1 430.573 5.373 1 0 IKAFMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc21 ZINC000013672818 563000082 /nfs/dbraw/zinc/00/00/82/563000082.db2.gz YSNVWEVEYXZGIZ-NRFANRHFSA-N 1 1 426.560 5.045 1 0 IKAFMO C[C@@H]1CCC[N@H+]1CCc1cc2cc(CNc3ccc(C(=O)C(F)(F)F)cc3)ccc2o1 ZINC000013674335 563000362 /nfs/dbraw/zinc/00/03/62/563000362.db2.gz OWXQFZDEEHZHGI-MRXNPFEDSA-N 1 1 430.470 5.817 1 0 IKAFMO CC[N@@H+](CCCCC[C@@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738612 563002851 /nfs/dbraw/zinc/00/28/51/563002851.db2.gz PNORNHQDZBPDRE-LJQANCHMSA-N 1 1 425.569 5.150 1 0 IKAFMO COc1ccccc1C[N@H+](C)Cc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C ZINC000013742634 563003529 /nfs/dbraw/zinc/00/35/29/563003529.db2.gz GLOQARJVIRHMJL-UHFFFAOYSA-N 1 1 426.560 5.463 1 0 IKAFMO COc1ccccc1C[N@@H+](C)Cc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C ZINC000013742634 563003531 /nfs/dbraw/zinc/00/35/31/563003531.db2.gz GLOQARJVIRHMJL-UHFFFAOYSA-N 1 1 426.560 5.463 1 0 IKAFMO COc1ccc(CC[N@@H+](C)CC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780753 563006483 /nfs/dbraw/zinc/00/64/83/563006483.db2.gz KQKQJSMFQYTBBL-DEOSSOPVSA-N 1 1 446.591 5.036 1 0 IKAFMO CN(CCC[N@@H+](C)CCCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000013800378 563007713 /nfs/dbraw/zinc/00/77/13/563007713.db2.gz WGJCAKQLYZFCSH-UHFFFAOYSA-N 1 1 430.636 5.679 1 0 IKAFMO c1nc(CN2CC[N@@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)c[nH]1 ZINC000013803096 563008090 /nfs/dbraw/zinc/00/80/90/563008090.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 1 1 444.582 6.252 1 0 IKAFMO c1ncc(CN2CC[N@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)[nH]1 ZINC000013803096 563008091 /nfs/dbraw/zinc/00/80/91/563008091.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 1 1 444.582 6.252 1 0 IKAFMO c1ncc(CN2CC[N@@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)[nH]1 ZINC000013803096 563008092 /nfs/dbraw/zinc/00/80/92/563008092.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 1 1 444.582 6.252 1 0 IKAFMO C[N@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000013804566 563008343 /nfs/dbraw/zinc/00/83/43/563008343.db2.gz NQHSMRHMUBKGPZ-YJYMSZOUSA-N 1 1 433.162 5.322 1 0 IKAFMO C[N@H+]1C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812912 563009037 /nfs/dbraw/zinc/00/90/37/563009037.db2.gz KNAYUGWIXSDDAM-WIPBBCIJSA-N 1 1 434.505 6.219 3 0 IKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@H](c2ccccc2Cl)C1=O ZINC000013834488 563011972 /nfs/dbraw/zinc/01/19/72/563011972.db2.gz LUSCJUZTUPFLPT-OHUGHZGNSA-N 1 1 441.015 6.240 1 0 IKAFMO C/C=C/C[N@@H+]1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1 ZINC000013862300 563012867 /nfs/dbraw/zinc/01/28/67/563012867.db2.gz VRZFYAJIAPJACS-RUQZGRDBSA-N 1 1 449.639 5.602 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12 ZINC000014961672 563016198 /nfs/dbraw/zinc/01/61/98/563016198.db2.gz CHTMRWQLNNRRFJ-KRWDZBQOSA-N 1 1 427.335 5.189 1 0 IKAFMO CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1C[NH2+][C@@H](C)c1cccs1 ZINC000014995927 563017448 /nfs/dbraw/zinc/01/74/48/563017448.db2.gz QQIFYQCTUAMZAT-AWEZNQCLSA-N 1 1 440.956 5.163 1 0 IKAFMO COc1ccc([C@H]2C=CC[N@H+](Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017781101 563022088 /nfs/dbraw/zinc/02/20/88/563022088.db2.gz FZJPBLUXGQUAOK-KDYSTLNUSA-N 1 1 444.550 5.365 1 0 IKAFMO COc1ccc([C@H]2C=CC[N@@H+](Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017781101 563022089 /nfs/dbraw/zinc/02/20/89/563022089.db2.gz FZJPBLUXGQUAOK-KDYSTLNUSA-N 1 1 444.550 5.365 1 0 IKAFMO C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)[N@@H+]1CCCc1ccccc1 ZINC000022930208 563026235 /nfs/dbraw/zinc/02/62/35/563026235.db2.gz KRUBQUVNIYCARV-MKPDMIMOSA-N 1 1 441.663 6.242 1 0 IKAFMO C[C@@H]1C[N@@H+](CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 ZINC000022930208 563026237 /nfs/dbraw/zinc/02/62/37/563026237.db2.gz KRUBQUVNIYCARV-MKPDMIMOSA-N 1 1 441.663 6.242 1 0 IKAFMO C[C@@H]1C[N@H+](CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 ZINC000022930208 563026239 /nfs/dbraw/zinc/02/62/39/563026239.db2.gz KRUBQUVNIYCARV-MKPDMIMOSA-N 1 1 441.663 6.242 1 0 IKAFMO C(=C/c1ccccc1)\CN1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938498 563026551 /nfs/dbraw/zinc/02/65/51/563026551.db2.gz ZKPGBGRZLGOWBB-GXDHUFHOSA-N 1 1 426.604 5.514 1 0 IKAFMO C(=C/c1ccccc1)\C[N@H+]1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938498 563026552 /nfs/dbraw/zinc/02/65/52/563026552.db2.gz ZKPGBGRZLGOWBB-GXDHUFHOSA-N 1 1 426.604 5.514 1 0 IKAFMO C(=C/c1ccccc1)\C[N@@H+]1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938498 563026553 /nfs/dbraw/zinc/02/65/53/563026553.db2.gz ZKPGBGRZLGOWBB-GXDHUFHOSA-N 1 1 426.604 5.514 1 0 IKAFMO COc1ccccc1CCCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022939444 563026807 /nfs/dbraw/zinc/02/68/07/563026807.db2.gz RSSFEFAHSOYPIM-UHFFFAOYSA-N 1 1 444.619 5.052 1 0 IKAFMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000023337988 563027074 /nfs/dbraw/zinc/02/70/74/563027074.db2.gz FLYQQUHVJKFHFP-NRFANRHFSA-N 1 1 429.593 5.035 1 0 IKAFMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000023337986 563027111 /nfs/dbraw/zinc/02/71/11/563027111.db2.gz FLYQQUHVJKFHFP-OAQYLSRUSA-N 1 1 429.593 5.035 1 0 IKAFMO O[C@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026181449 563029675 /nfs/dbraw/zinc/02/96/75/563029675.db2.gz NQGONAKHHVLXTL-WYMJOSIYSA-N 1 1 434.530 5.788 1 0 IKAFMO O[C@@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026188775 563029868 /nfs/dbraw/zinc/02/98/68/563029868.db2.gz KNNOMOYAJVUIED-OIKPOIBNSA-N 1 1 434.530 5.788 1 0 IKAFMO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2[nH]cnc2C)cc1 ZINC000026254343 563030190 /nfs/dbraw/zinc/03/01/90/563030190.db2.gz YNBLCYZCPQPQHP-PLQXJYEYSA-N 1 1 440.591 5.097 1 0 IKAFMO Brc1ccc(CC[N@@H+](Cc2cnc[nH]2)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000026273386 563030480 /nfs/dbraw/zinc/03/04/80/563030480.db2.gz HFLQDXOFXFPVGQ-UHFFFAOYSA-N 1 1 446.392 6.084 1 0 IKAFMO Brc1ccc(CC[N@H+](Cc2c[nH]cn2)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000026273386 563030482 /nfs/dbraw/zinc/03/04/82/563030482.db2.gz HFLQDXOFXFPVGQ-UHFFFAOYSA-N 1 1 446.392 6.084 1 0 IKAFMO Brc1ccc(CC[N@@H+](Cc2c[nH]cn2)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000026273386 563030484 /nfs/dbraw/zinc/03/04/84/563030484.db2.gz HFLQDXOFXFPVGQ-UHFFFAOYSA-N 1 1 446.392 6.084 1 0 IKAFMO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CCC(N)=O)CC1 ZINC000026665336 563035197 /nfs/dbraw/zinc/03/51/97/563035197.db2.gz ZZHNOVUUFUFNLN-MSOLQXFVSA-N 1 1 428.617 5.218 1 0 IKAFMO COc1ccc(-c2nc3cc(-c4nc5ccc(CCC[NH+](C)C)cc5[nH]4)ccc3[nH]2)cc1 ZINC000026734541 563036048 /nfs/dbraw/zinc/03/60/48/563036048.db2.gz ILBKPDXNPGQWMU-UHFFFAOYSA-N 1 1 425.536 5.276 1 0 IKAFMO COc1ccc(-c2nc3ccc(-c4nc5cc(CCC[NH+](C)C)ccc5[nH]4)cc3[nH]2)cc1 ZINC000026734541 563036050 /nfs/dbraw/zinc/03/60/50/563036050.db2.gz ILBKPDXNPGQWMU-UHFFFAOYSA-N 1 1 425.536 5.276 1 0 IKAFMO COc1ccc(-c2nc3ccc(-c4nc5ccc(CCC[NH+](C)C)cc5[nH]4)cc3[nH]2)cc1 ZINC000026734541 563036052 /nfs/dbraw/zinc/03/60/52/563036052.db2.gz ILBKPDXNPGQWMU-UHFFFAOYSA-N 1 1 425.536 5.276 1 0 IKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000026747210 563036425 /nfs/dbraw/zinc/03/64/25/563036425.db2.gz ZGZNFZMNAFLLAL-WZZWGCKUSA-N 1 1 439.559 5.266 1 0 IKAFMO C[C@@H](NC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995529 563038864 /nfs/dbraw/zinc/03/88/64/563038864.db2.gz ZRWAMFWDHTXJIW-QFQXNSOFSA-N 1 1 429.007 6.545 1 0 IKAFMO COc1cccc(CC[N@H+]2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027195103 563040501 /nfs/dbraw/zinc/04/05/01/563040501.db2.gz PNLPGVPANALDMI-BDYUSTAISA-N 1 1 435.995 6.162 1 0 IKAFMO Cc1cccc2c1C(=O)N(CCCCC[N@@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027325057 563041649 /nfs/dbraw/zinc/04/16/49/563041649.db2.gz YPVDZKHCFQJIDP-UHFFFAOYSA-N 1 1 445.538 5.171 1 0 IKAFMO O=c1nc2c(c3[nH]c(-c4ccccc4-c4cccs4)cn31)C[N@H+](Cc1ccccc1)CC2 ZINC000027556152 563043714 /nfs/dbraw/zinc/04/37/14/563043714.db2.gz GVSLONTUMQMKRA-UHFFFAOYSA-N 1 1 438.556 5.389 1 0 IKAFMO O=C1[C@H](Cc2c[nH]c3ccccc23)C[N@H+](Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 ZINC000027562830 563044317 /nfs/dbraw/zinc/04/43/17/563044317.db2.gz RYSWOVLQLJFYGU-PLQXJYEYSA-N 1 1 447.582 5.752 1 0 IKAFMO Fc1ccc(CCCC[N@@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027726127 563045958 /nfs/dbraw/zinc/04/59/58/563045958.db2.gz JJIHRMWHRSJBCH-UHFFFAOYSA-N 1 1 434.505 6.429 1 0 IKAFMO Fc1ccc(CCCC[N@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027726127 563045959 /nfs/dbraw/zinc/04/59/59/563045959.db2.gz JJIHRMWHRSJBCH-UHFFFAOYSA-N 1 1 434.505 6.429 1 0 IKAFMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@@H]4CCc5c(c6ccccc6n5C)C4=O)CC3)c2c1 ZINC000027738796 563046453 /nfs/dbraw/zinc/04/64/53/563046453.db2.gz YIXGURIZOKSKEU-IBGZPJMESA-N 1 1 439.559 5.203 1 0 IKAFMO CCC[N@@H+](C)C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872751 563047639 /nfs/dbraw/zinc/04/76/39/563047639.db2.gz VQALLFXHRNWESB-QFIPXVFZSA-N 1 1 443.543 5.209 1 0 IKAFMO CCC[N@@H+](C)C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872747 563047679 /nfs/dbraw/zinc/04/76/79/563047679.db2.gz VQALLFXHRNWESB-JOCHJYFZSA-N 1 1 443.543 5.209 1 0 IKAFMO C[N@@H+](CC1CC1)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028119173 563051048 /nfs/dbraw/zinc/05/10/48/563051048.db2.gz HTQACYPZPIQVHN-MHZLTWQESA-N 1 1 425.576 5.526 1 0 IKAFMO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[NH+]1CCCCC1 ZINC000028130477 563051387 /nfs/dbraw/zinc/05/13/87/563051387.db2.gz YJEAEAYHAIWJGK-UHFFFAOYSA-N 1 1 444.737 6.852 1 0 IKAFMO CCNC(=O)c1ccc(C(c2cccc(N)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028392162 563054460 /nfs/dbraw/zinc/05/44/60/563054460.db2.gz CRUVNMBAKCMMJA-WMPKNSHKSA-N 1 1 441.575 5.240 1 0 IKAFMO CCNC(=O)c1ccc(C(c2ccccn2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccs2)cc1 ZINC000028456595 563054796 /nfs/dbraw/zinc/05/47/96/563054796.db2.gz NSJYFQMIGHGVQS-ZRZAMGCNSA-N 1 1 443.616 5.522 1 0 IKAFMO O=C(N[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529721 563057350 /nfs/dbraw/zinc/05/73/50/563057350.db2.gz RREAYXVIGCFJMU-IBGZPJMESA-N 1 1 446.494 5.318 1 0 IKAFMO COc1cc2cc(-c3ccc(C[N@@H+](C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC ZINC000028710689 563062615 /nfs/dbraw/zinc/06/26/15/563062615.db2.gz BIGKNZBLJTVJKF-UHFFFAOYSA-N 1 1 429.516 5.418 1 0 IKAFMO CC(C)c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000028711940 563062815 /nfs/dbraw/zinc/06/28/15/563062815.db2.gz CUZLQNOAHBUAIU-IBGZPJMESA-N 1 1 438.015 5.961 1 0 IKAFMO CC(C)c1nc2ccc(-c3ccccc3Cl)cc2c(=O)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000028713646 563063253 /nfs/dbraw/zinc/06/32/53/563063253.db2.gz CRUHNOUIHGMRQX-LJQANCHMSA-N 1 1 438.015 5.961 1 0 IKAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccc(F)cc3)oc21 ZINC000028877983 563067771 /nfs/dbraw/zinc/06/77/71/563067771.db2.gz AEQWQMFTPTZZCH-UHFFFAOYSA-N 1 1 447.506 5.823 1 0 IKAFMO CC1CCN(C(=O)c2ccc3c(c2)c2c(n3Cc3ccccc3)C[N@H+](C3CCCC3)C2)CC1 ZINC000028955198 563070088 /nfs/dbraw/zinc/07/00/88/563070088.db2.gz WSRONXQDDJEMCU-UHFFFAOYSA-N 1 1 441.619 5.820 1 0 IKAFMO CC1CCN(C(=O)c2ccc3c(c2)c2c(n3Cc3ccccc3)C[N@@H+](C3CCCC3)C2)CC1 ZINC000028955198 563070090 /nfs/dbraw/zinc/07/00/90/563070090.db2.gz WSRONXQDDJEMCU-UHFFFAOYSA-N 1 1 441.619 5.820 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@H]2[N@@H+](CC)Cc1ccccc1 ZINC000029054357 563073290 /nfs/dbraw/zinc/07/32/90/563073290.db2.gz KPVVYLNLPPTVJX-MUUNZHRXSA-N 1 1 426.648 7.335 1 0 IKAFMO C[N@H+]1CCC[C@H]1CCNc1nc(Nc2cccc(Br)c2)nc2ccccc21 ZINC000029206213 563076378 /nfs/dbraw/zinc/07/63/78/563076378.db2.gz CWTUZRJXNXDDQG-KRWDZBQOSA-N 1 1 426.362 5.032 1 0 IKAFMO Clc1ccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCOCC3)cc2)n2ccnc2)cc1 ZINC000029134911 563076152 /nfs/dbraw/zinc/07/61/52/563076152.db2.gz CZZZCBVEVCYMDS-MHZLTWQESA-N 1 1 443.978 5.209 1 0 IKAFMO COc1ccc([C@H](O)c2cccc([C@@H](C)C[N@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413940 563079908 /nfs/dbraw/zinc/07/99/08/563079908.db2.gz RBOWGYFZKLNGOS-JWMKGCOUSA-N 1 1 435.652 6.705 1 0 IKAFMO C[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Br)cc1 ZINC000029412334 563079951 /nfs/dbraw/zinc/07/99/51/563079951.db2.gz VMYZPTAPWPVWMX-XQXKEMQCSA-N 1 1 428.370 5.291 1 0 IKAFMO O=C(Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)[N@@H+](CC1CCC1)CC3)c1ccccc1 ZINC000029464746 563080291 /nfs/dbraw/zinc/08/02/91/563080291.db2.gz HMZOMKWKBKHNRX-YRLRHBCXSA-N 1 1 428.576 5.438 1 0 IKAFMO O=C(Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)[N@H+](CC1CCC1)CC3)c1ccccc1 ZINC000029464746 563080293 /nfs/dbraw/zinc/08/02/93/563080293.db2.gz HMZOMKWKBKHNRX-YRLRHBCXSA-N 1 1 428.576 5.438 1 0 IKAFMO COc1cc(NCCCCCCN2CC[N@@H+](CCC(C)C)C[C@@H]2C)c2nccc(C)c2c1 ZINC000029565496 563082590 /nfs/dbraw/zinc/08/25/90/563082590.db2.gz RAAKEEBXYAAUGA-QHCPKHFHSA-N 1 1 440.676 5.576 1 0 IKAFMO COc1cc(NCCCCCC[N@@H+]2CCN(CCC(C)C)C[C@@H]2C)c2nccc(C)c2c1 ZINC000029565496 563082591 /nfs/dbraw/zinc/08/25/91/563082591.db2.gz RAAKEEBXYAAUGA-QHCPKHFHSA-N 1 1 440.676 5.576 1 0 IKAFMO COc1cc(NCCCCCC[N@H+]2CCN(CCC(C)C)C[C@@H]2C)c2nccc(C)c2c1 ZINC000029565496 563082592 /nfs/dbraw/zinc/08/25/92/563082592.db2.gz RAAKEEBXYAAUGA-QHCPKHFHSA-N 1 1 440.676 5.576 1 0 IKAFMO CN(CCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000033663769 563084619 /nfs/dbraw/zinc/08/46/19/563084619.db2.gz KTXHNRVMJKZYHF-UHFFFAOYSA-N 1 1 429.951 6.129 1 0 IKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccco2)[nH+]c2ccccn21 ZINC000033745211 563084677 /nfs/dbraw/zinc/08/46/77/563084677.db2.gz NNKRSSJRTQNBMK-UHFFFAOYSA-N 1 1 431.536 6.440 1 0 IKAFMO C[N@H+]1CCC[C@@H]1CCn1c(Cc2ccccc2)cc2ccc(NC(=N)c3cccs3)cc21 ZINC000034806408 563087874 /nfs/dbraw/zinc/08/78/74/563087874.db2.gz WLCGLOBRFMKLOV-HSZRJFAPSA-N 1 1 442.632 6.215 1 0 IKAFMO O=C1CS[C@@H](c2ccc(Cl)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091125 563089434 /nfs/dbraw/zinc/08/94/34/563089434.db2.gz XDOLUWLSRBJHGQ-NRFANRHFSA-N 1 1 432.376 5.618 1 0 IKAFMO O=C1CS[C@@H](c2ccc(Cl)cc2)N1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091140 563089410 /nfs/dbraw/zinc/08/94/10/563089410.db2.gz JRDSSJWOMGESCO-QFIPXVFZSA-N 1 1 446.403 6.008 1 0 IKAFMO CN(CCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc2ccccc2c1 ZINC000035190813 563089513 /nfs/dbraw/zinc/08/95/13/563089513.db2.gz POARXXYBUYLHHF-UHFFFAOYSA-N 1 1 439.968 5.164 1 0 IKAFMO C[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000036177267 563091568 /nfs/dbraw/zinc/09/15/68/563091568.db2.gz OVHJBARWJMLZJX-SNRMKQJTSA-N 1 1 435.178 5.173 1 0 IKAFMO C[N@H+]1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000036177267 563091570 /nfs/dbraw/zinc/09/15/70/563091570.db2.gz OVHJBARWJMLZJX-SNRMKQJTSA-N 1 1 435.178 5.173 1 0 IKAFMO C[N@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036177275 563091613 /nfs/dbraw/zinc/09/16/13/563091613.db2.gz RRWQOIKRLCJAFP-FASAQXTFSA-N 1 1 435.178 5.173 1 0 IKAFMO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000036221705 563092134 /nfs/dbraw/zinc/09/21/34/563092134.db2.gz VTNMTWBEHGIRGV-ONDZYYNLSA-N 1 1 444.619 5.834 1 0 in-vivo IKAFMO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3 ZINC000036221694 563092143 /nfs/dbraw/zinc/09/21/43/563092143.db2.gz VSBFHNWLJXFFTK-DKRHUIDYSA-N 1 1 430.592 5.444 1 0 in-vivo IKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@H+]3C)cc1 ZINC000036270773 563092456 /nfs/dbraw/zinc/09/24/56/563092456.db2.gz SWUYKZCLBQJENR-DKHHQXCASA-N 1 1 446.034 7.021 1 0 IKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@H+]3C)cc1 ZINC000036270744 563092465 /nfs/dbraw/zinc/09/24/65/563092465.db2.gz WXEOOMWVKIXGIR-HPQIJTKRSA-N 1 1 447.569 6.646 1 0 IKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@H+]3C)cc1 ZINC000036270782 563092505 /nfs/dbraw/zinc/09/25/05/563092505.db2.gz SWUYKZCLBQJENR-QZLCNWOESA-N 1 1 446.034 7.021 1 0 IKAFMO C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)[N@H+]3C)[C@@H]12 ZINC000036289065 563092579 /nfs/dbraw/zinc/09/25/79/563092579.db2.gz VGEVZGPUSONIIS-FCWAOUHXSA-N 1 1 431.661 5.808 1 0 IKAFMO CCCCCCSc1cc(-c2[nH+]c3cc(C)ccn3c2NCCCC)ccc1OC ZINC000036382310 563093946 /nfs/dbraw/zinc/09/39/46/563093946.db2.gz NTPRRWMGHFBRFN-UHFFFAOYSA-N 1 1 425.642 7.203 3 0 IKAFMO COc1ccc([C@@H]2C=CC[N@H+](Cc3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388537 563094860 /nfs/dbraw/zinc/09/48/60/563094860.db2.gz FZJPBLUXGQUAOK-ZBLYBZFDSA-N 1 1 444.550 5.365 1 0 IKAFMO COc1ccc([C@@H]2C=CC[N@@H+](Cc3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388537 563094861 /nfs/dbraw/zinc/09/48/61/563094861.db2.gz FZJPBLUXGQUAOK-ZBLYBZFDSA-N 1 1 444.550 5.365 1 0 IKAFMO CC[C@@H]1CCC[N@H+]1CN1C(=O)c2cccc3c4sc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040423932 563102780 /nfs/dbraw/zinc/10/27/80/563102780.db2.gz FDDSLXCCTPEFEX-QGZVFWFLSA-N 1 1 441.556 5.544 1 0 IKAFMO Cc1n[nH]c(C)c1C[NH+]1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc32)CC1 ZINC000040431310 563103579 /nfs/dbraw/zinc/10/35/79/563103579.db2.gz OFWHRQNGRLGROR-UHFFFAOYSA-N 1 1 442.611 5.190 1 0 IKAFMO CCCCN1C(c2ccccc2)[N@@H+](CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000040520404 563104422 /nfs/dbraw/zinc/10/44/22/563104422.db2.gz PYMPKYLGHWDDAD-NSOVKSMOSA-N 1 1 444.619 6.797 1 0 IKAFMO CCCCN1C(c2ccccc2)[N@H+](CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000040520404 563104423 /nfs/dbraw/zinc/10/44/23/563104423.db2.gz PYMPKYLGHWDDAD-NSOVKSMOSA-N 1 1 444.619 6.797 1 0 IKAFMO C[NH+](C)CCN[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000040567112 563105041 /nfs/dbraw/zinc/10/50/41/563105041.db2.gz MVDFMYVUBRPBLN-LJQANCHMSA-N 1 1 434.424 5.133 1 0 IKAFMO Cc1ccnc(C)c1C(=O)NCC[N@H+]1CCC[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000040862148 563108160 /nfs/dbraw/zinc/10/81/60/563108160.db2.gz DLNFWGCPPFODIC-DEOSSOPVSA-N 1 1 441.619 5.362 1 0 IKAFMO Cc1ccnc(C)c1C(=O)NCC[N@H+]1CCC[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000040862146 563108206 /nfs/dbraw/zinc/10/82/06/563108206.db2.gz DLNFWGCPPFODIC-XMMPIXPASA-N 1 1 441.619 5.362 1 0 IKAFMO Cc1noc([C@@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccc(Cl)cc2)[N@@H+]3C)c1-c1ccc(Cl)cc1 ZINC000040894290 563110220 /nfs/dbraw/zinc/11/02/20/563110220.db2.gz FEEIOKZAYVOGGS-GNXKAVGDSA-N 1 1 427.375 6.691 1 0 IKAFMO O=C(N[C@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 ZINC000043020087 563117134 /nfs/dbraw/zinc/11/71/34/563117134.db2.gz GDDUTDROJXVVIG-SANMLTNESA-N 1 1 438.546 6.040 1 0 IKAFMO O=C(c1ccccc1-c1ccccc1)N1CCC[N@H+](Cc2ccc3cc(F)ccc3c2)CC1 ZINC000043122241 563119007 /nfs/dbraw/zinc/11/90/07/563119007.db2.gz RXVREQSWUAZTFH-UHFFFAOYSA-N 1 1 438.546 5.994 1 0 IKAFMO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CC4CCCCC4)C3)cc2)cc1 ZINC000045187623 563122888 /nfs/dbraw/zinc/12/28/88/563122888.db2.gz OMFVWFCAPZAQKA-AREMUKBSSA-N 1 1 447.623 5.447 1 0 IKAFMO CCc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045188170 563122974 /nfs/dbraw/zinc/12/29/74/563122974.db2.gz PFYMINPRRIGVTI-JOCHJYFZSA-N 1 1 436.596 5.901 1 0 IKAFMO O=C(Nc1cccc(CN2CCC[N@@H+](CC3CC3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045188729 563123140 /nfs/dbraw/zinc/12/31/40/563123140.db2.gz KLGSEDDMTPXWPK-UHFFFAOYSA-N 1 1 432.395 5.163 1 0 IKAFMO Cc1cccc2nc(-c3ccc(-c4ccc(C(=O)NCC[NH+]5CCCC5)cc4)s3)[nH]c21 ZINC000045189178 563123247 /nfs/dbraw/zinc/12/32/47/563123247.db2.gz ACVDOWGKYSRWPG-UHFFFAOYSA-N 1 1 430.577 5.092 1 0 IKAFMO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000045190032 563123282 /nfs/dbraw/zinc/12/32/82/563123282.db2.gz QECZAEZKWFZJRH-HSZRJFAPSA-N 1 1 443.572 5.510 1 0 IKAFMO C[N@H+]1CC[C@@H](Oc2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)ccc2C(F)(F)F)C1 ZINC000045189967 563123295 /nfs/dbraw/zinc/12/32/95/563123295.db2.gz VONWQXBPOJQGSE-CQSZACIVSA-N 1 1 447.284 5.025 1 0 IKAFMO COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccc3ccccc3c2)cc1 ZINC000045189597 563123301 /nfs/dbraw/zinc/12/33/01/563123301.db2.gz BOUHLEBIRIINQP-NDEPHWFRSA-N 1 1 436.555 5.092 1 0 IKAFMO COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccc3ccccc3c2)cc1 ZINC000045189597 563123303 /nfs/dbraw/zinc/12/33/03/563123303.db2.gz BOUHLEBIRIINQP-NDEPHWFRSA-N 1 1 436.555 5.092 1 0 IKAFMO C[NH2+]Cc1cccc2nc(-c3csc(Cc4cc(Cl)ccc4OCC(C)C)n3)[nH]c21 ZINC000045189672 563123312 /nfs/dbraw/zinc/12/33/12/563123312.db2.gz MWBPTPIDXACRGE-UHFFFAOYSA-N 1 1 441.000 5.685 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 ZINC000045190799 563123630 /nfs/dbraw/zinc/12/36/30/563123630.db2.gz PCRKVMABMIPPEY-UHFFFAOYSA-N 1 1 435.656 6.150 1 0 IKAFMO O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000045191269 563123709 /nfs/dbraw/zinc/12/37/09/563123709.db2.gz HGWPFRWLXBEFLE-JOCHJYFZSA-N 1 1 448.950 5.016 1 0 IKAFMO O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000045191269 563123710 /nfs/dbraw/zinc/12/37/10/563123710.db2.gz HGWPFRWLXBEFLE-JOCHJYFZSA-N 1 1 448.950 5.016 1 0 IKAFMO O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@H]1CC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000045191272 563123767 /nfs/dbraw/zinc/12/37/67/563123767.db2.gz HGWPFRWLXBEFLE-QFIPXVFZSA-N 1 1 448.950 5.016 1 0 IKAFMO O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@H]1CC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000045191272 563123769 /nfs/dbraw/zinc/12/37/69/563123769.db2.gz HGWPFRWLXBEFLE-QFIPXVFZSA-N 1 1 448.950 5.016 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccsc1 ZINC000045192770 563123908 /nfs/dbraw/zinc/12/39/08/563123908.db2.gz FHOASBLKLJXKLL-LJQANCHMSA-N 1 1 430.932 5.446 1 0 IKAFMO O=C(Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccsc1 ZINC000045192770 563123910 /nfs/dbraw/zinc/12/39/10/563123910.db2.gz FHOASBLKLJXKLL-LJQANCHMSA-N 1 1 430.932 5.446 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccsc1 ZINC000045192766 563123941 /nfs/dbraw/zinc/12/39/41/563123941.db2.gz FHOASBLKLJXKLL-IBGZPJMESA-N 1 1 430.932 5.446 1 0 IKAFMO O=C(Nc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccsc1 ZINC000045192766 563123942 /nfs/dbraw/zinc/12/39/42/563123942.db2.gz FHOASBLKLJXKLL-IBGZPJMESA-N 1 1 430.932 5.446 1 0 IKAFMO c1cc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](Cc4c[nH]c5cnccc45)CC3)C2)cs1 ZINC000045193606 563124103 /nfs/dbraw/zinc/12/41/03/563124103.db2.gz IKANJHQCKISFPB-UHFFFAOYSA-N 1 1 444.604 5.054 1 0 IKAFMO Cc1cccc2nc(-c3ccc(-c4cccc(C[NH2+]CCCN5CCCC5=O)c4)s3)[nH]c21 ZINC000045201298 563124703 /nfs/dbraw/zinc/12/47/03/563124703.db2.gz HHEOPMSDWZIATH-UHFFFAOYSA-N 1 1 444.604 5.369 1 0 IKAFMO C[NH+]1CCN(c2nsc3ccc(-c4ccc(NC(=O)Nc5ccccc5)cc4)cc32)CC1 ZINC000045201875 563124855 /nfs/dbraw/zinc/12/48/55/563124855.db2.gz UWLWPNVOLNOLCA-UHFFFAOYSA-N 1 1 443.576 5.359 1 0 IKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000045226926 563125440 /nfs/dbraw/zinc/12/54/40/563125440.db2.gz QOAMUZZNCVGFBN-MRXNPFEDSA-N 1 1 434.849 5.307 1 0 IKAFMO CC(C)(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045228185 563125588 /nfs/dbraw/zinc/12/55/88/563125588.db2.gz JMWNJNCWIFNPPX-MRXNPFEDSA-N 1 1 438.559 5.922 1 0 IKAFMO CN1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)cc32)CC1 ZINC000045227977 563125651 /nfs/dbraw/zinc/12/56/51/563125651.db2.gz VEDXEPWYLNIAJY-UHFFFAOYSA-N 1 1 437.547 5.298 1 0 IKAFMO CC(C)CC[N@H+]1CC[C@H](Oc2ccc(NC(=O)c3ccc4ncccc4c3)cc2Cl)C1 ZINC000045228495 563125731 /nfs/dbraw/zinc/12/57/31/563125731.db2.gz JYPOPVDYXQMKTE-NRFANRHFSA-N 1 1 437.971 5.640 1 0 IKAFMO CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2c(C)cccc2[nH+]1 ZINC000045258664 563127506 /nfs/dbraw/zinc/12/75/06/563127506.db2.gz GSIFXTHXPURSBY-UHFFFAOYSA-N 1 1 431.927 5.498 1 0 IKAFMO Cc1c(C)c(-c2cccc(C(C)(C)[NH2+]C3CCN(Cc4ccccc4)CC3)c2)cnc1N ZINC000045301330 563129204 /nfs/dbraw/zinc/12/92/04/563129204.db2.gz XKIBCHKQIAJDBE-UHFFFAOYSA-N 1 1 428.624 5.437 1 0 IKAFMO CCCCC[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000045301778 563129302 /nfs/dbraw/zinc/12/93/02/563129302.db2.gz RVTTYHSALMSRNP-QFIPXVFZSA-N 1 1 445.647 7.463 1 0 IKAFMO O=C1Nc2cccc3c2[C@]1(CCCC[N@@H+]1CC=C(c2c[nH]c4ncccc24)CC1)CCC3 ZINC000045302069 563129413 /nfs/dbraw/zinc/12/94/13/563129413.db2.gz RXGHVKULHGGCKH-MHZLTWQESA-N 1 1 426.564 5.049 1 0 IKAFMO Cc1[nH]c2cc(C)ccc2c1C1=CC[N@@H+](CCCC[C@]2(C)c3ccccc3NC2=O)CC1 ZINC000045315459 563129768 /nfs/dbraw/zinc/12/97/68/563129768.db2.gz UIHWGNBWJSMEDG-MUUNZHRXSA-N 1 1 427.592 5.954 1 0 IKAFMO COc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)c2)cc1 ZINC000045322313 563130440 /nfs/dbraw/zinc/13/04/40/563130440.db2.gz DCSNTQSOHMQOSM-UHFFFAOYSA-N 1 1 439.584 6.565 1 0 IKAFMO CCc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045323244 563130685 /nfs/dbraw/zinc/13/06/85/563130685.db2.gz PCMMSRBAVJWIOY-QHCPKHFHSA-N 1 1 433.621 5.048 1 0 IKAFMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000045324043 563130787 /nfs/dbraw/zinc/13/07/87/563130787.db2.gz QPYCSVSZEBGLDK-UHFFFAOYSA-N 1 1 448.010 5.609 1 0 IKAFMO CN(C)c1ccc(-c2csc(C(=O)NC[C@H]3CC[N@@H+](CC4CCCCC4)C3)c2)cc1 ZINC000045323715 563130794 /nfs/dbraw/zinc/13/07/94/563130794.db2.gz CUEDTIKCXGLZCO-HXUWFJFHSA-N 1 1 425.642 5.113 1 0 IKAFMO c1sc(Nc2ccncc2)nc1-c1ccc(-c2csc(Nc3cc[nH+]cc3)n2)cc1 ZINC000045338107 563131697 /nfs/dbraw/zinc/13/16/97/563131697.db2.gz UWWNKZKBNGREQM-UHFFFAOYSA-N 1 1 428.546 6.211 1 0 IKAFMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21 ZINC000045366585 563133047 /nfs/dbraw/zinc/13/30/47/563133047.db2.gz VABAVSCPQUXQLP-AHKZPQOWSA-N 1 1 428.963 6.129 1 0 IKAFMO CC[C@@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000058494563 563143590 /nfs/dbraw/zinc/14/35/90/563143590.db2.gz DDSRFAMOWJZKMB-VXLXPWSCSA-N 1 1 436.603 6.030 1 0 IKAFMO CC(C)C[N@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058511801 563143790 /nfs/dbraw/zinc/14/37/90/563143790.db2.gz CRJZLZIFNPMFEE-JOCHJYFZSA-N 1 1 447.957 5.945 1 0 IKAFMO COc1cc(NCCCCCCN2CC[N@@H+](CCC(C)C)C[C@H]2C)c2nccc(C)c2c1 ZINC000058507394 563143825 /nfs/dbraw/zinc/14/38/25/563143825.db2.gz RAAKEEBXYAAUGA-HSZRJFAPSA-N 1 1 440.676 5.576 1 0 IKAFMO COc1cc(NCCCCCC[N@@H+]2CCN(CCC(C)C)C[C@H]2C)c2nccc(C)c2c1 ZINC000058507394 563143827 /nfs/dbraw/zinc/14/38/27/563143827.db2.gz RAAKEEBXYAAUGA-HSZRJFAPSA-N 1 1 440.676 5.576 1 0 IKAFMO COc1cc(NCCCCCC[N@H+]2CCN(CCC(C)C)C[C@H]2C)c2nccc(C)c2c1 ZINC000058507394 563143829 /nfs/dbraw/zinc/14/38/29/563143829.db2.gz RAAKEEBXYAAUGA-HSZRJFAPSA-N 1 1 440.676 5.576 1 0 IKAFMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000059260215 563146455 /nfs/dbraw/zinc/14/64/55/563146455.db2.gz TXYHNJMNQMYNTO-HRAATJIYSA-N 1 1 447.410 6.009 1 0 IKAFMO c1ccc([C@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059830575 563146718 /nfs/dbraw/zinc/14/67/18/563146718.db2.gz NUJHFKHMMFVVEU-LMBSYKFDSA-N 1 1 443.594 6.165 3 0 IKAFMO CCCCN(C)c1c(C)[nH+]c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn21 ZINC000061903558 563147933 /nfs/dbraw/zinc/14/79/33/563147933.db2.gz DWUVLWLYKDGGLO-UHFFFAOYSA-N 1 1 442.563 5.807 3 0 IKAFMO CC(=O)c1cc2cccc(O[C@@]3(C)CC[N@@H+](Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907734 563148899 /nfs/dbraw/zinc/14/88/99/563148899.db2.gz BNZVULXUJTVIDV-MHZLTWQESA-N 1 1 426.516 5.741 3 0 IKAFMO Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000061923673 563149560 /nfs/dbraw/zinc/14/95/60/563149560.db2.gz UTYLZLRTMAUBIK-PVHODMMVSA-N 1 1 448.586 5.322 3 0 IKAFMO [NH3+][C@@H](COCc1ccccc1)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000061928683 563150369 /nfs/dbraw/zinc/15/03/69/563150369.db2.gz VYEHYGFLSBWERM-INIZCTEOSA-N 1 1 436.459 5.023 3 0 IKAFMO C[C@@]1(Oc2cnc(Cl)c3ccccc23)CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000061929968 563150563 /nfs/dbraw/zinc/15/05/63/563150563.db2.gz SXIDRLZLOWXGLJ-AREMUKBSSA-N 1 1 429.951 5.994 3 0 IKAFMO CC[C@H]1CN2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000064512166 563154063 /nfs/dbraw/zinc/15/40/63/563154063.db2.gz BYHWAEAVIGYEBJ-OVWYZSLCSA-N 1 1 438.619 5.872 1 0 IKAFMO Cc1ccc(C[NH2+]CC2(F)CCN(C(=O)c3sc4sccc4c3Cl)CC2)nc1 ZINC000064549380 563155759 /nfs/dbraw/zinc/15/57/59/563155759.db2.gz ZAZVVXMVLIGNNS-UHFFFAOYSA-N 1 1 437.993 5.054 1 0 IKAFMO O=C(CCSC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1c2ccccc2Sc2ccccc21 ZINC000071295329 563161619 /nfs/dbraw/zinc/16/16/19/563161619.db2.gz IIZZRBFBRZRZER-VQTJNVASSA-N 1 1 438.662 6.204 1 0 IKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071330027 563162492 /nfs/dbraw/zinc/16/24/92/563162492.db2.gz XVZKTEWBPLMNOV-JYFHCDHNSA-N 1 1 448.994 5.037 1 0 IKAFMO O=C1Nc2ccc(F)cc2[C@H]1CCCC[N@@H+]1CC=C(c2cccc(C(F)(F)F)c2)CC1 ZINC000072140993 563164557 /nfs/dbraw/zinc/16/45/57/563164557.db2.gz AFFLRZAJRVFCHF-HXUWFJFHSA-N 1 1 432.461 5.840 1 0 IKAFMO O[C@@H]1C[N@@H+](CC2CCCCC2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142525 563164758 /nfs/dbraw/zinc/16/47/58/563164758.db2.gz NVLOOEBBXPYQSB-UODIDJSMSA-N 1 1 434.559 5.014 1 0 IKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)CSc2ccccc2)c1-3 ZINC000072176170 563165600 /nfs/dbraw/zinc/16/56/00/563165600.db2.gz LSKSSWIRNDMQHX-QHCPKHFHSA-N 1 1 429.585 5.917 1 0 IKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)Nc2cccc4ccccc42)c1-3 ZINC000072176064 563165607 /nfs/dbraw/zinc/16/56/07/563165607.db2.gz GSEIFCYYFLMJKI-AREMUKBSSA-N 1 1 448.566 6.983 1 0 IKAFMO FC(F)(F)Oc1ccc(C[NH2+]Cc2coc(-c3ccccc3Br)n2)cc1 ZINC000072182816 563167521 /nfs/dbraw/zinc/16/75/21/563167521.db2.gz ZPXUXUCDPRCJEW-UHFFFAOYSA-N 1 1 427.220 5.293 1 0 IKAFMO CC[C@@H](C)[C@@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184257 563167750 /nfs/dbraw/zinc/16/77/50/563167750.db2.gz XLYFKUYOYSCHFH-AUSIDOKSSA-N 1 1 435.568 5.064 1 0 IKAFMO CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072184142 563167789 /nfs/dbraw/zinc/16/77/89/563167789.db2.gz VASKGEOBOYXLJS-JOCHJYFZSA-N 1 1 440.385 5.201 1 0 IKAFMO CC[C@@H](C)[C@@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185375 563168064 /nfs/dbraw/zinc/16/80/64/563168064.db2.gz YZYGOZIGGKPNTA-HYBUGGRVSA-N 1 1 433.596 6.218 1 0 IKAFMO CC[C@H](C)[C@@H]([NH2+]Cc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185376 563168069 /nfs/dbraw/zinc/16/80/69/563168069.db2.gz YZYGOZIGGKPNTA-GBXCKJPGSA-N 1 1 433.596 6.218 1 0 IKAFMO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(C[N@@H+]3CCC[C@@H]3C)cnc21 ZINC000084729827 563178421 /nfs/dbraw/zinc/17/84/21/563178421.db2.gz AQKXMQBBHLZKDC-SFHVURJKSA-N 1 1 429.564 5.569 1 0 IKAFMO CN(Cc1ccc(O)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000084759194 563179723 /nfs/dbraw/zinc/17/97/23/563179723.db2.gz STDNQQBEKZLXJQ-WIIGKZCBSA-N 1 1 430.636 5.887 1 0 IKAFMO CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CC[N@H+]3CC2CC2)C1 ZINC000095557892 563181691 /nfs/dbraw/zinc/18/16/91/563181691.db2.gz PVLNUKRKZJPSBR-IXZAQLOYSA-N 1 1 434.624 5.665 1 0 IKAFMO CCN1CC[NH+](CCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095558169 563181746 /nfs/dbraw/zinc/18/17/46/563181746.db2.gz ULRNPMQYZHBUNR-QTOQHBCNSA-N 1 1 442.691 6.215 1 0 IKAFMO c1ccc([C@@H](c2ccc(CCC[NH+]3CCNCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095561858 563182496 /nfs/dbraw/zinc/18/24/96/563182496.db2.gz NLPCIAQGLDYVHC-CTSDKZEDSA-N 1 1 428.664 5.873 1 0 IKAFMO Nc1c2c([nH+]c3c1[C@H](c1c(Cl)cccc1Cl)c1ccc4ccccc4c1O3)CCCC2 ZINC000095562890 563182765 /nfs/dbraw/zinc/18/27/65/563182765.db2.gz UCYMJDLWIMOPFK-NRFANRHFSA-N 1 1 447.365 7.289 1 0 IKAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@H](C(=O)OCCc1ccc(N=S)cc1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000095585197 563188851 /nfs/dbraw/zinc/18/88/51/563188851.db2.gz ICAAADUJGSYLFX-YUMYIRISSA-N 1 1 428.985 5.054 1 0 IKAFMO C[N@H+]1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095589838 563189814 /nfs/dbraw/zinc/18/98/14/563189814.db2.gz QNGSRZAVORFRJE-CPESWEKQSA-N 1 1 429.519 5.386 1 0 IKAFMO Cc1c(OCCCCCC[N@@H+]2CCCC[C@@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 ZINC000096271271 563196732 /nfs/dbraw/zinc/19/67/32/563196732.db2.gz DWHIUIXHPDJNKC-NRFANRHFSA-N 1 1 433.592 6.582 1 0 IKAFMO CCCOc1ccc(-c2cc(OCC[N@@H+](CC)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000096927241 563198085 /nfs/dbraw/zinc/19/80/85/563198085.db2.gz PAGGEXHWKCEKHF-UHFFFAOYSA-N 1 1 440.587 6.592 1 0 IKAFMO CCCOc1ccc(-c2cc(OCC[N@H+]3CCc4ccccc4C3)c3ccccc3n2)cc1 ZINC000096927236 563198108 /nfs/dbraw/zinc/19/81/08/563198108.db2.gz AICRTCIWQAFNOT-UHFFFAOYSA-N 1 1 438.571 6.128 1 0 IKAFMO O=C1CCS[C@@H](c2ccccc2F)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000098082201 563200485 /nfs/dbraw/zinc/20/04/85/563200485.db2.gz RVNTXHHIMGEMRS-QFIPXVFZSA-N 1 1 429.948 5.494 1 0 IKAFMO Cc1ccc([C@@H]2SCCC(=O)N2CCCNc2cc[nH+]c3cc(Cl)ccc23)s1 ZINC000098082199 563200526 /nfs/dbraw/zinc/20/05/26/563200526.db2.gz OUVUSZINAHHNQD-NRFANRHFSA-N 1 1 432.014 5.724 1 0 IKAFMO CCCCCNC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1 ZINC000101045359 581097924 /nfs/dbraw/zinc/09/79/24/581097924.db2.gz TUNCEYFRHAURAU-UHFFFAOYSA-N 1 1 428.536 5.544 1 0 IKAFMO O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccnc1 ZINC000101051504 581102093 /nfs/dbraw/zinc/10/20/93/581102093.db2.gz CXUPMQGDURWIQV-UHFFFAOYSA-N 1 1 435.487 5.271 1 0 IKAFMO O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccs1 ZINC000101041101 581102111 /nfs/dbraw/zinc/10/21/11/581102111.db2.gz HTBHDSXWUDLHTR-UHFFFAOYSA-N 1 1 440.528 5.937 1 0 IKAFMO Clc1cccc(N2CC[NH+](C[C@@H]3C[C@H]4c5ccccc5Cc5ccccc5N4O3)CC2)c1 ZINC000013437024 132346855 /nfs/dbraw/zinc/34/68/55/132346855.db2.gz OZETYYSIKGRYTO-IGKIAQTJSA-N 1 1 445.994 5.318 1 0 IKAFMO Clc1cccc(N2CC[NH+](C[C@H]3C[C@H]4c5ccccc5Cc5ccccc5N4O3)CC2)c1 ZINC000013437027 132346887 /nfs/dbraw/zinc/34/68/87/132346887.db2.gz OZETYYSIKGRYTO-SQHAQQRYSA-N 1 1 445.994 5.318 1 0 IKAFMO CC[N@H+]1CC[C@H]2c3ccccc3N[C@@H]2[C@H]1CCCc1nccc2c3cc(O)ccc3n(C)c21 ZINC000095486025 560061826 /nfs/dbraw/zinc/06/18/26/560061826.db2.gz ZJLMRBDQLLZXAL-BAURHKQJSA-N 1 1 440.591 5.427 1 0 biogenic,in-vitro IKAFMO COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)[N@@H+](C)[C@@H]2C ZINC000013359262 560214937 /nfs/dbraw/zinc/21/49/37/560214937.db2.gz KKJVVBRCACGMIS-DLBZAZTESA-N 1 1 435.564 5.787 1 0 biogenic,in-vitro IKAFMO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000001659083 562924127 /nfs/dbraw/zinc/92/41/27/562924127.db2.gz NYJQZRBPKNCCPF-PGRDOPGGSA-N 1 1 443.513 5.995 1 0 IKAFMO O=C(c1ccncc1)N1CCC2(CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955799 562939888 /nfs/dbraw/zinc/93/98/88/562939888.db2.gz GNFFMWVVJSSUKO-UHFFFAOYSA-N 1 1 425.576 5.189 1 0 IKAFMO O=C(Oc1ccccc1)N1CCC2(CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003956031 562939968 /nfs/dbraw/zinc/93/99/68/562939968.db2.gz INENXTJDRLNVLZ-UHFFFAOYSA-N 1 1 440.587 6.153 1 0 IKAFMO O=C1Nc2ccc(Cl)c3c2[C@@]1(CCCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1)CCC3 ZINC000003992517 562940515 /nfs/dbraw/zinc/94/05/15/562940515.db2.gz UWPMACBSCARCRJ-AREMUKBSSA-N 1 1 438.974 5.965 1 0 IKAFMO CC(C)Cc1ccc([C@@H](C)C(=O)OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004213673 562942708 /nfs/dbraw/zinc/94/27/08/562942708.db2.gz JFGXBHHLHQAGRR-HXUWFJFHSA-N 1 1 429.004 5.007 1 0 in-man IKAFMO Cc1noc(C)c1C(=O)N1CCC2(CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000004238011 562942760 /nfs/dbraw/zinc/94/27/60/562942760.db2.gz KHFVLMBXEWCALZ-UHFFFAOYSA-N 1 1 443.591 5.399 1 0 IKAFMO CCCCC(=O)Oc1ccccc1-c1[nH+]c2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000004719842 562943437 /nfs/dbraw/zinc/94/34/37/562943437.db2.gz BBPJWSZDDHPZMT-UHFFFAOYSA-N 1 1 435.612 7.032 1 0 IKAFMO CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008017492 562948849 /nfs/dbraw/zinc/94/88/49/562948849.db2.gz QPQYNQCQOPMGRJ-HSZRJFAPSA-N 1 1 440.595 5.461 1 0 IKAFMO c1ccc([C@@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008585166 562950042 /nfs/dbraw/zinc/95/00/42/562950042.db2.gz ARTFQYBWFCKHSN-ZCGWPHLNSA-N 1 1 447.666 7.755 3 0 IKAFMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000008599652 562954816 /nfs/dbraw/zinc/95/48/16/562954816.db2.gz PBUWPLYVSGCGAR-MRXNPFEDSA-N 1 1 430.017 5.796 1 0 IKAFMO C[N@H+]1C[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008679913 562961427 /nfs/dbraw/zinc/96/14/27/562961427.db2.gz PPZQMHXDQXPIHV-CAOORNBYSA-N 1 1 433.517 6.824 3 0 IKAFMO CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(C[NH+](C)C)o3)cc2)o1 ZINC000013452614 562987552 /nfs/dbraw/zinc/98/75/52/562987552.db2.gz BKKRKDDJCRFGHJ-UHFFFAOYSA-N 1 1 444.666 5.863 1 0 IKAFMO COC(=O)[C@@H]1C[N@@H+](CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475014 562988774 /nfs/dbraw/zinc/98/87/74/562988774.db2.gz JTLQFFOFUPIHPT-KAYWLYCHSA-N 1 1 448.006 6.141 1 0 IKAFMO C[N@@H+](CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC000013524783 562991548 /nfs/dbraw/zinc/99/15/48/562991548.db2.gz KWJVSKUVDKZNDX-UHFFFAOYSA-N 1 1 430.386 5.714 1 0 IKAFMO COc1cc2c(cc1OC)C[N@@H+](CC[C@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 ZINC000013530649 562992008 /nfs/dbraw/zinc/99/20/08/562992008.db2.gz MKSJGKFVKSOTMY-DEOSSOPVSA-N 1 1 437.967 5.926 1 0 IKAFMO Cc1ccc2cc([C@@H]3CC[N@@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)sc2c1 ZINC000013535680 562992412 /nfs/dbraw/zinc/99/24/12/562992412.db2.gz OCNYAGTUKGAQCN-TYPHKJRUSA-N 1 1 434.605 5.699 1 0 IKAFMO O=c1[nH]c2c(s1)c(CC[NH2+]CCCCCCOCCCCc1ccccc1)ccc2O ZINC000013556261 562993186 /nfs/dbraw/zinc/99/31/86/562993186.db2.gz YBTODLSGLLVUPP-UHFFFAOYSA-N 1 1 442.625 5.027 1 0 IKAFMO CCC[N@H+](Cc1sc(Nc2c(CC)cccc2CC)nc1C(F)(F)F)CC1CC1 ZINC000013587349 562995661 /nfs/dbraw/zinc/99/56/61/562995661.db2.gz WIOZEXBDJKNFCC-UHFFFAOYSA-N 1 1 425.564 6.652 1 0 IKAFMO c1cc2cc(Nc3ccnc4cc(-c5ccc(C[NH+]6CCOCC6)cc5)sc43)ccc2[nH]1 ZINC000013588192 562995914 /nfs/dbraw/zinc/99/59/14/562995914.db2.gz JCKSFAJUCQVQOF-UHFFFAOYSA-N 1 1 440.572 6.020 1 0 IKAFMO C[N@@H+](Cc1ccccc1C(=O)NCC/C=C/c1ccccc1)[C@H]1CCc2cc(O)ccc2C1 ZINC000013589138 562996260 /nfs/dbraw/zinc/99/62/60/562996260.db2.gz IRORFLRVJUVJIZ-DICASGCDSA-N 1 1 440.587 5.215 1 0 IKAFMO C[C@@H]1c2cc(O)ccc2CC[N@@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589145 562996297 /nfs/dbraw/zinc/99/62/97/562996297.db2.gz RRGITTGLGFGTJZ-FTUXVVSKSA-N 1 1 426.560 5.345 1 0 IKAFMO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc(C3=CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000013645868 562998740 /nfs/dbraw/zinc/99/87/40/562998740.db2.gz KXPXHDBGGBQXDQ-HSZRJFAPSA-N 1 1 428.557 5.283 1 0 IKAFMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc21 ZINC000013672816 563000165 /nfs/dbraw/zinc/00/01/65/563000165.db2.gz YSNVWEVEYXZGIZ-OAQYLSRUSA-N 1 1 426.560 5.045 1 0 IKAFMO COc1ccc(C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cn1 ZINC000013738237 563002797 /nfs/dbraw/zinc/00/27/97/563002797.db2.gz CUTBZCOOVOTXKX-UHFFFAOYSA-N 1 1 431.967 5.335 1 0 IKAFMO CC[N@@H+](CCCCC[C@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738613 563002836 /nfs/dbraw/zinc/00/28/36/563002836.db2.gz PNORNHQDZBPDRE-IBGZPJMESA-N 1 1 425.569 5.150 1 0 IKAFMO Oc1cc2c(cc1Br)CC[N@@H+](C/C=C/c1ccccc1)C[C@H]2c1ccccc1 ZINC000013757560 563004644 /nfs/dbraw/zinc/00/46/44/563004644.db2.gz MGKVCPAAEMUDQN-KXOMFBTKSA-N 1 1 434.377 5.858 1 0 IKAFMO C[N@H+](CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1 ZINC000013803936 563008183 /nfs/dbraw/zinc/00/81/83/563008183.db2.gz SUFVPROIOBRYEK-UHFFFAOYSA-N 1 1 442.647 5.822 1 0 IKAFMO C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1 ZINC000013803936 563008184 /nfs/dbraw/zinc/00/81/84/563008184.db2.gz SUFVPROIOBRYEK-UHFFFAOYSA-N 1 1 442.647 5.822 1 0 IKAFMO CN(CCOC(c1ccccc1)c1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000013803936 563008185 /nfs/dbraw/zinc/00/81/85/563008185.db2.gz SUFVPROIOBRYEK-UHFFFAOYSA-N 1 1 442.647 5.822 1 0 IKAFMO Fc1ccc(CCN2CCC[C@@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803920 563008194 /nfs/dbraw/zinc/00/81/94/563008194.db2.gz WPCCYICQOQQNOQ-VWLOTQADSA-N 1 1 446.610 5.476 1 0 IKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@@H](c2ccc(Cl)cc2)C1=O ZINC000013834487 563011968 /nfs/dbraw/zinc/01/19/68/563011968.db2.gz LKWOZWCLKKPBJR-DFIYOIEZSA-N 1 1 441.015 6.240 1 0 IKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@@H](c2ccccc2Cl)C1=O ZINC000013834489 563011989 /nfs/dbraw/zinc/01/19/89/563011989.db2.gz LUSCJUZTUPFLPT-DFIYOIEZSA-N 1 1 441.015 6.240 1 0 IKAFMO CCCNC(=O)c1c(C[N@@H+](CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013862487 563013018 /nfs/dbraw/zinc/01/30/18/563013018.db2.gz HLRCLDAIHXKQGX-UHFFFAOYSA-N 1 1 437.587 6.064 1 0 IKAFMO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2C)cc1 ZINC000013862305 563013048 /nfs/dbraw/zinc/01/30/48/563013048.db2.gz KEHOXWIRLSRNHN-JIPXPUAJSA-N 1 1 449.639 5.436 1 0 IKAFMO Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@@H]3CCC[N@H+](C)C3)c2)n2cncc12 ZINC000013981062 563014167 /nfs/dbraw/zinc/01/41/67/563014167.db2.gz CMZVYJMYCACHOM-OAQYLSRUSA-N 1 1 441.579 5.477 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4F)c3)cc12 ZINC000014961749 563016182 /nfs/dbraw/zinc/01/61/82/563016182.db2.gz ARZSIDJLTVASAU-SFHVURJKSA-N 1 1 444.432 5.040 1 0 IKAFMO Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(C(F)(F)F)c4)c3)cc12 ZINC000014961732 563016207 /nfs/dbraw/zinc/01/62/07/563016207.db2.gz YSODHSZRRBCDHP-KRWDZBQOSA-N 1 1 444.432 5.040 1 0 IKAFMO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)s2)[N@H+]3C)cc1 ZINC000014978627 563017269 /nfs/dbraw/zinc/01/72/69/563017269.db2.gz FOMAEAAMXSBAJG-LANGDILFSA-N 1 1 443.443 7.159 1 0 IKAFMO O=C(NCc1cccs1)c1cccc(Nc2[nH]c3ccc(Br)cc3[nH+]2)c1 ZINC000015974463 563020616 /nfs/dbraw/zinc/02/06/16/563020616.db2.gz TZRYOVKPUJBBEZ-UHFFFAOYSA-N 1 1 427.327 5.061 3 0 IKAFMO O=C(NCc1cccs1)c1cccc(Nc2[nH]c3cc(Br)ccc3[nH+]2)c1 ZINC000015974463 563020620 /nfs/dbraw/zinc/02/06/20/563020620.db2.gz TZRYOVKPUJBBEZ-UHFFFAOYSA-N 1 1 427.327 5.061 3 0 IKAFMO CC[N@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000016957788 563021145 /nfs/dbraw/zinc/02/11/45/563021145.db2.gz OJDYOYOACQNEAI-VLIAUNLRSA-N 1 1 447.189 5.713 1 0 IKAFMO COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1 ZINC000022450690 563025650 /nfs/dbraw/zinc/02/56/50/563025650.db2.gz XOHNGGNSGAFTFL-HKUYNNGSSA-N 1 1 446.435 5.486 1 0 IKAFMO O=C(CCN1CC[N@H+]2CCC[C@@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000022462753 563025728 /nfs/dbraw/zinc/02/57/28/563025728.db2.gz HOZLLXONNGPAPJ-QGZVFWFLSA-N 1 1 447.526 5.005 1 0 in-man IKAFMO C[NH+]1CCN(CCCNc2cc(Cl)ccc2Sc2cc(Cl)ccc2Cl)CC1 ZINC000022938717 563026516 /nfs/dbraw/zinc/02/65/16/563026516.db2.gz INKFLANVNINBDL-UHFFFAOYSA-N 1 1 444.859 5.847 1 0 IKAFMO c1ccc(C(OCC[NH+]2CCN(Cc3ccc4ncccc4c3)CC2)c2ccccc2)cc1 ZINC000022938655 563026568 /nfs/dbraw/zinc/02/65/68/563026568.db2.gz WKFITCNCHMQXOA-UHFFFAOYSA-N 1 1 437.587 5.159 1 0 IKAFMO COc1cccc([C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000022939112 563026739 /nfs/dbraw/zinc/02/67/39/563026739.db2.gz POUSMXNITPRXFI-MUUNZHRXSA-N 1 1 428.620 5.900 1 0 IKAFMO CN1CC[NH+](CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1 ZINC000023361013 563027237 /nfs/dbraw/zinc/02/72/37/563027237.db2.gz SKQKGGHCXLOMFJ-UHFFFAOYSA-N 1 1 434.971 5.053 1 0 IKAFMO C[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000026159494 563029195 /nfs/dbraw/zinc/02/91/95/563029195.db2.gz HFPUZJYAPWLJOL-RUZDIDTESA-N 1 1 428.576 5.059 1 0 IKAFMO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccn2)cc1 ZINC000026183976 563029790 /nfs/dbraw/zinc/02/97/90/563029790.db2.gz CKQUTXHPDBLPAE-MKPDMIMOSA-N 1 1 437.587 5.460 1 0 IKAFMO O[C@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026188779 563029821 /nfs/dbraw/zinc/02/98/21/563029821.db2.gz KNNOMOYAJVUIED-WYMJOSIYSA-N 1 1 434.530 5.788 1 0 IKAFMO CC(=O)NCCCCCCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026254385 563030133 /nfs/dbraw/zinc/03/01/33/563030133.db2.gz YPOQGLRHFMTALJ-AZGAKELHSA-N 1 1 441.566 5.361 1 0 IKAFMO Cc1cc(OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026471843 563032167 /nfs/dbraw/zinc/03/21/67/563032167.db2.gz NBJCNEVQZGIPSG-UHFFFAOYSA-N 1 1 444.619 5.494 1 0 IKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000026747215 563036416 /nfs/dbraw/zinc/03/64/16/563036416.db2.gz ZGZNFZMNAFLLAL-IGNCZNKDSA-N 1 1 439.559 5.266 1 0 IKAFMO C[N@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000027179190 563040077 /nfs/dbraw/zinc/04/00/77/563040077.db2.gz RRWQOIKRLCJAFP-ZNZDAUKMSA-N 1 1 435.178 5.173 1 0 IKAFMO COc1ccc(CC[N@H+]2CCC[C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000027184857 563040175 /nfs/dbraw/zinc/04/01/75/563040175.db2.gz OTFAHXKRSOAATL-VWLOTQADSA-N 1 1 437.530 5.787 1 0 IKAFMO Cc1ccc2c(c1)C(=O)N(CCCCC[N@@H+]1CC=C(c3c[nH]c4ccccc34)CC1)C2=O ZINC000027331865 563041787 /nfs/dbraw/zinc/04/17/87/563041787.db2.gz MOJPVHLAGWNFCV-UHFFFAOYSA-N 1 1 427.548 5.032 1 0 IKAFMO Cc1cccc2c(C3=CC[N@@H+](CCCCCN4C(=O)c5ccccc5C4=O)CC3)c[nH]c21 ZINC000027407826 563041844 /nfs/dbraw/zinc/04/18/44/563041844.db2.gz RUNHZSVFEKDKRE-UHFFFAOYSA-N 1 1 427.548 5.032 1 0 IKAFMO C[NH+](C)C1CCN(CCc2c3ccccc3sc2-c2ccc(Cl)cc2Cl)CC1 ZINC000027524611 563043104 /nfs/dbraw/zinc/04/31/04/563043104.db2.gz VSOXBFLRBLXMFH-UHFFFAOYSA-N 1 1 433.448 6.444 1 0 IKAFMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccnc1 ZINC000027718308 563045782 /nfs/dbraw/zinc/04/57/82/563045782.db2.gz VWNHIXVNJUPJSK-SANMLTNESA-N 1 1 433.502 5.176 1 0 IKAFMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccnc1 ZINC000027718308 563045784 /nfs/dbraw/zinc/04/57/84/563045784.db2.gz VWNHIXVNJUPJSK-SANMLTNESA-N 1 1 433.502 5.176 1 0 IKAFMO Cc1ccc([C@H](O)CCC[N@@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027730822 563046114 /nfs/dbraw/zinc/04/61/14/563046114.db2.gz LCXSZEFSNFTEGI-MUUNZHRXSA-N 1 1 446.541 6.089 1 0 IKAFMO Cc1ccc([C@H](O)CCC[N@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027730822 563046116 /nfs/dbraw/zinc/04/61/16/563046116.db2.gz LCXSZEFSNFTEGI-MUUNZHRXSA-N 1 1 446.541 6.089 1 0 IKAFMO Cn1c2ccccc2c2c1CC[C@H](C[N@@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027738305 563046450 /nfs/dbraw/zinc/04/64/50/563046450.db2.gz MREHFQAOUHEUFA-GOSISDBHSA-N 1 1 427.523 5.333 1 0 IKAFMO CCC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCC[N@@H+](C)C1CCCCC1 ZINC000028006415 563049491 /nfs/dbraw/zinc/04/94/91/563049491.db2.gz BRBURWHFGAZKCR-SANMLTNESA-N 1 1 438.637 6.268 1 0 IKAFMO CCNC(=O)c1ccc(C(c2ccc(F)cc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028371013 563053845 /nfs/dbraw/zinc/05/38/45/563053845.db2.gz VLGAHHOYYSVFIL-WMPKNSHKSA-N 1 1 444.550 5.797 1 0 IKAFMO CCNC(=O)c1ccc(C(c2ccncc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028385436 563054156 /nfs/dbraw/zinc/05/41/56/563054156.db2.gz XUHDCTYFAXOGQE-PLQXJYEYSA-N 1 1 427.548 5.053 1 0 IKAFMO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccnc2)cc1 ZINC000028387303 563054276 /nfs/dbraw/zinc/05/42/76/563054276.db2.gz HOFGKVVWOOSYFP-MKPDMIMOSA-N 1 1 437.587 5.460 1 0 IKAFMO CCCC[C@@H]1c2c3ccccc3[nH]c2[C@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@H]1[C@@]42CC[N@H+]3C ZINC000028520517 563055905 /nfs/dbraw/zinc/05/59/05/563055905.db2.gz RJLOZLWGWXBUEL-WWFQYMSISA-N 1 1 428.576 5.712 1 0 IKAFMO Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](C)CC3)ccc1-c1ccc(Cl)cc1 ZINC000028704211 563061767 /nfs/dbraw/zinc/06/17/67/563061767.db2.gz UAJYHPWCBGWDNL-UHFFFAOYSA-N 1 1 440.996 5.147 1 0 IKAFMO CC[N@H+]1CCC[C@@H](Cn2c(=O)c3cc(OC(F)(F)F)ccc3nc2-c2ccccc2C)C1 ZINC000028711887 563062756 /nfs/dbraw/zinc/06/27/56/563062756.db2.gz TYPWWUNYYCVRRR-QGZVFWFLSA-N 1 1 445.485 5.002 1 0 IKAFMO CCCOc1ccc(C(=O)OCCCC[N@@H+](CC)[C@@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028765303 563063967 /nfs/dbraw/zinc/06/39/67/563063967.db2.gz JZHNSDQUTQLMET-XMMPIXPASA-N 1 1 439.596 5.300 1 0 IKAFMO CC[N@@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2ccccc2C1 ZINC000028766514 563064097 /nfs/dbraw/zinc/06/40/97/563064097.db2.gz PMVOPWZKALHBOU-DEOSSOPVSA-N 1 1 439.596 5.300 1 0 IKAFMO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000028819834 563065229 /nfs/dbraw/zinc/06/52/29/563065229.db2.gz PDPHGOYIBMEXMB-OAHLLOKOSA-N 1 1 449.378 5.273 1 0 IKAFMO C[N@@H+](CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1 ZINC000028821647 563065463 /nfs/dbraw/zinc/06/54/63/563065463.db2.gz ZBAFNVLNTIJCGR-UHFFFAOYSA-N 1 1 428.523 6.830 1 0 IKAFMO CCOC1CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822098 563065591 /nfs/dbraw/zinc/06/55/91/563065591.db2.gz XNBJPXOJYKURSF-UHFFFAOYSA-N 1 1 438.793 5.682 1 0 IKAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3F)oc21 ZINC000028877971 563067690 /nfs/dbraw/zinc/06/76/90/563067690.db2.gz NTHIAFXFYRUEJP-UHFFFAOYSA-N 1 1 447.506 5.823 1 0 IKAFMO CC[N@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903750 563069234 /nfs/dbraw/zinc/06/92/34/563069234.db2.gz YAUNEGRGWKDMDO-UHFFFAOYSA-N 1 1 436.003 5.874 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2[N@@H+]1CCc2ccccc2C1 ZINC000029054676 563073266 /nfs/dbraw/zinc/07/32/66/563073266.db2.gz UJAQFXNVJNHNFX-SANMLTNESA-N 1 1 426.604 6.318 1 0 IKAFMO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2[N@H+]1CCc2ccccc2C1 ZINC000029054676 563073267 /nfs/dbraw/zinc/07/32/67/563073267.db2.gz UJAQFXNVJNHNFX-SANMLTNESA-N 1 1 426.604 6.318 1 0 IKAFMO COc1ccc(CC[N@@H+](C)CCCC(c2ccccc2)(c2ccccc2)C(C)C)cc1OC ZINC000029389468 563078864 /nfs/dbraw/zinc/07/88/64/563078864.db2.gz SSJXHXKYYXFYRN-UHFFFAOYSA-N 1 1 445.647 6.601 1 0 IKAFMO COc1ccc(CC[N@@H+](C)CCCC2(C(C)C)c3ccccc3-c3ccccc32)cc1OC ZINC000029392856 563079115 /nfs/dbraw/zinc/07/91/15/563079115.db2.gz XJUMFMWAKQOJHR-UHFFFAOYSA-N 1 1 443.631 6.581 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 ZINC000029409794 563079796 /nfs/dbraw/zinc/07/97/96/563079796.db2.gz FXIVOTOASLFLGA-DQWNXYKBSA-N 1 1 433.680 7.477 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000029411053 563079809 /nfs/dbraw/zinc/07/98/09/563079809.db2.gz MJSHPECQCWIOCW-FQNJNTOFSA-N 1 1 440.071 7.350 1 0 IKAFMO COc1ccc(C(=O)c2cccc([C@@H](C)C[N@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029410129 563079838 /nfs/dbraw/zinc/07/98/38/563079838.db2.gz MUKZEHLYYAFENJ-WXVAWEFUSA-N 1 1 433.636 6.855 1 0 IKAFMO COc1ccc([C@H](O)c2cccc([C@H](C)C[N@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413947 563079873 /nfs/dbraw/zinc/07/98/73/563079873.db2.gz RBOWGYFZKLNGOS-XRHWURSXSA-N 1 1 435.652 6.705 1 0 IKAFMO C[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Br)cc1 ZINC000029412337 563079915 /nfs/dbraw/zinc/07/99/15/563079915.db2.gz VMYZPTAPWPVWMX-ONKNLRSLSA-N 1 1 428.370 5.291 1 0 IKAFMO Fc1ccc(-n2c3ccc(F)cc3c3c2CC[N@@H+](CCc2ccc4ccccc4n2)C3)cc1 ZINC000029488459 563081456 /nfs/dbraw/zinc/08/14/56/563081456.db2.gz LQISAFMWOCODSX-UHFFFAOYSA-N 1 1 439.509 6.058 1 0 IKAFMO Fc1ccc(-n2c3ccc(F)cc3c3c2CC[N@H+](CCc2ccc4ccccc4n2)C3)cc1 ZINC000029488459 563081457 /nfs/dbraw/zinc/08/14/57/563081457.db2.gz LQISAFMWOCODSX-UHFFFAOYSA-N 1 1 439.509 6.058 1 0 IKAFMO CCCCOC(=O)[C@]1(c2ccccc2)C[C@H]1C[N@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C ZINC000029548139 563081858 /nfs/dbraw/zinc/08/18/58/563081858.db2.gz HVDWDRVWLVNZRJ-YXYCDYAJSA-N 1 1 447.619 5.218 1 0 IKAFMO Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CC[N@H+](CCc1ccccc1)C2 ZINC000029565679 563082556 /nfs/dbraw/zinc/08/25/56/563082556.db2.gz PVBJXGWVOLJLEQ-UHFFFAOYSA-N 1 1 430.495 5.181 1 0 IKAFMO COc1cccc2c1CC[C@H]([N@@H+](C)CCCCNC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000029568102 563082648 /nfs/dbraw/zinc/08/26/48/563082648.db2.gz FOYUWODSNRINIS-SANMLTNESA-N 1 1 442.603 5.362 1 0 IKAFMO COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@@H](OC(C)=O)c1ccccc1)[C@H]3[N@@H+](C)CC2 ZINC000031829640 563083550 /nfs/dbraw/zinc/08/35/50/563083550.db2.gz IGRKHRUNPPEQNP-QKDODKLFSA-N 1 1 443.543 5.301 1 0 IKAFMO CCCC/C=C/C/C=C/CCCCCCCCC(=O)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000033913589 563085000 /nfs/dbraw/zinc/08/50/00/563085000.db2.gz VHRHCOQFSHKQLI-MXFQXDLTSA-N 1 1 431.705 7.608 1 0 IKAFMO C[N@H+]1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c43)C[C@H]21 ZINC000034800932 563087324 /nfs/dbraw/zinc/08/73/24/563087324.db2.gz JIEYWGGNJSSGDF-UWUFEASWSA-N 1 1 445.607 5.352 1 0 IKAFMO O=C1NC(c2ccccc2)(c2ccccc2)CN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000034802144 563087603 /nfs/dbraw/zinc/08/76/03/563087603.db2.gz ZDNLCBVEWCZBLZ-ZVBBVAIHSA-N 1 1 437.587 5.151 1 0 IKAFMO Cc1c(/C=C/[NH+]2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000035050300 563089085 /nfs/dbraw/zinc/08/90/85/563089085.db2.gz SPWPIJMSCDUAAC-SDNWHVSQSA-N 1 1 446.809 7.265 1 0 IKAFMO C[C@H]1C[N@H+]2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075224 563089150 /nfs/dbraw/zinc/08/91/50/563089150.db2.gz OFXDNKVWESBBSG-OMRWSRCMSA-N 1 1 442.603 5.668 1 0 IKAFMO O=C1CCS[C@H](c2ccc(Cl)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091165 563089427 /nfs/dbraw/zinc/08/94/27/563089427.db2.gz MHEKJKGYMYWSAJ-OAQYLSRUSA-N 1 1 432.376 5.618 1 0 IKAFMO O=C1CCS[C@H](c2ccc(Cl)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091131 563089465 /nfs/dbraw/zinc/08/94/65/563089465.db2.gz NBHUVDNHYBJEMO-JOCHJYFZSA-N 1 1 446.403 6.008 1 0 IKAFMO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@H+](CCCC3CCOCC3)C[C@H]12 ZINC000035819304 563089982 /nfs/dbraw/zinc/08/99/82/563089982.db2.gz VGWOOKCYUNUQRH-HGHGUNKESA-N 1 1 434.546 5.991 1 0 IKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@H+]3C)cc1 ZINC000036270743 563092446 /nfs/dbraw/zinc/09/24/46/563092446.db2.gz WXEOOMWVKIXGIR-GCFVYEKYSA-N 1 1 447.569 6.646 1 0 IKAFMO CC[C@H](C)Sc1ccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382327 563093942 /nfs/dbraw/zinc/09/39/42/563093942.db2.gz MIEHVIMITMKUCV-IBGZPJMESA-N 1 1 431.605 6.821 3 0 IKAFMO CCCCCCSc1ccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)cc1 ZINC000036382313 563093950 /nfs/dbraw/zinc/09/39/50/563093950.db2.gz DKQPQXKGUFHRSH-UHFFFAOYSA-N 1 1 429.633 7.594 3 0 IKAFMO CCC[N@@H+](CCCCNc1ccnc2cc(Cl)ccc21)Cc1cccc2c1OCO2 ZINC000036474298 563095456 /nfs/dbraw/zinc/09/54/56/563095456.db2.gz DZQTYJUSPIYFEJ-UHFFFAOYSA-N 1 1 425.960 5.721 1 0 IKAFMO C[C@H](C[N@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc([C@H](O)c2ccccc2)c1 ZINC000039643446 563099317 /nfs/dbraw/zinc/09/93/17/563099317.db2.gz FXIVOTOASLFLGA-HGLPBTONSA-N 1 1 433.680 7.477 1 0 IKAFMO c1ccc(CCCC[NH+]2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040380338 563099620 /nfs/dbraw/zinc/09/96/20/563099620.db2.gz XCFSHEMBUMCMIB-UHFFFAOYSA-N 1 1 439.647 6.215 1 0 IKAFMO CCC[NH+](CCC)CCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000040431098 563103615 /nfs/dbraw/zinc/10/36/15/563103615.db2.gz DYTQDTSBNCFGJE-UHFFFAOYSA-N 1 1 425.525 5.152 1 0 IKAFMO CCC[NH+](CCC)CCCCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000040431098 563103617 /nfs/dbraw/zinc/10/36/17/563103617.db2.gz DYTQDTSBNCFGJE-UHFFFAOYSA-N 1 1 425.525 5.152 1 0 IKAFMO COc1nc2ccc(Br)cc2cc1[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000040891873 563110012 /nfs/dbraw/zinc/11/00/12/563110012.db2.gz ZDUJDGHWGWHOPO-OAQYLSRUSA-N 1 1 439.378 5.947 1 0 IKAFMO CC(C)(C)c1ccc(NC(=O)c2cccc3c2CC[N@@H+](Cc2ccnc4ccccc24)C3)cc1 ZINC000040952951 563114201 /nfs/dbraw/zinc/11/42/01/563114201.db2.gz SVELZAVYKTYQGE-UHFFFAOYSA-N 1 1 449.598 6.343 1 0 IKAFMO C(=C/c1cc(NCc2ccccc2)nc(NCc2cccc3ccccc32)[nH+]1)\c1ccccc1 ZINC000040955867 563114687 /nfs/dbraw/zinc/11/46/87/563114687.db2.gz SPOMLFIUOBPSBN-VHEBQXMUSA-N 1 1 442.566 7.024 1 0 IKAFMO COc1cccc(CCc2ccccc2OCCCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000042878315 563115828 /nfs/dbraw/zinc/11/58/28/563115828.db2.gz NEQJFIXEALLTIV-UHFFFAOYSA-N 1 1 429.604 6.088 1 0 IKAFMO C/C=C1\C[N@@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=NCCc2c3ccccc3[nH]c21 ZINC000042877935 563115833 /nfs/dbraw/zinc/11/58/33/563115833.db2.gz JBQRORTXNDQJOM-UFTXSBRCSA-N 1 1 436.603 5.522 1 0 IKAFMO C/C=C1\C[N@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=NCCc2c3ccccc3[nH]c21 ZINC000042877935 563115834 /nfs/dbraw/zinc/11/58/34/563115834.db2.gz JBQRORTXNDQJOM-UFTXSBRCSA-N 1 1 436.603 5.522 1 0 IKAFMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 ZINC000043020085 563117141 /nfs/dbraw/zinc/11/71/41/563117141.db2.gz GDDUTDROJXVVIG-AREMUKBSSA-N 1 1 438.546 6.040 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)CC1 ZINC000045167334 563122385 /nfs/dbraw/zinc/12/23/85/563122385.db2.gz PIIQLKJJVZSDRN-UHFFFAOYSA-N 1 1 425.592 5.474 1 0 IKAFMO Cc1cc2c(cccc2NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000045167660 563122430 /nfs/dbraw/zinc/12/24/30/563122430.db2.gz ZFMSOKJGOFUEFN-UHFFFAOYSA-N 1 1 443.378 5.636 1 0 IKAFMO C[NH2+]CCNCc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045168161 563122609 /nfs/dbraw/zinc/12/26/09/563122609.db2.gz CCTFXHZKEREXMV-UHFFFAOYSA-N 1 1 430.499 5.286 1 0 IKAFMO CCCCCCc1cc(OC)c(OC)cc1[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000045168537 563122675 /nfs/dbraw/zinc/12/26/75/563122675.db2.gz JACIUQMSRSDLKE-QGZVFWFLSA-N 1 1 426.988 7.201 1 0 IKAFMO Cc1[nH]c2cc(C)ccc2c1C1=CC[N@@H+](CCCC[C@]2(C)c3cccc(F)c3NC2=O)CC1 ZINC000045187282 563122930 /nfs/dbraw/zinc/12/29/30/563122930.db2.gz BBKOHLVWYIJYFU-MUUNZHRXSA-N 1 1 445.582 6.093 1 0 IKAFMO COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C[NH+]1CCN(C)CC1 ZINC000045190346 563123479 /nfs/dbraw/zinc/12/34/79/563123479.db2.gz DSUKEXOPOUQEDC-UHFFFAOYSA-N 1 1 449.982 5.015 1 0 IKAFMO O=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000045190768 563123599 /nfs/dbraw/zinc/12/35/99/563123599.db2.gz OVPPARVKZVMJMM-XCBJPIOPSA-N 1 1 449.466 6.504 1 0 IKAFMO CNc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)c2)cc1 ZINC000045191737 563123706 /nfs/dbraw/zinc/12/37/06/563123706.db2.gz QIZMDZJXPAVJDB-UHFFFAOYSA-N 1 1 432.571 6.537 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000045192007 563123755 /nfs/dbraw/zinc/12/37/55/563123755.db2.gz NWDFNPQOXMFCFG-UHFFFAOYSA-N 1 1 449.683 6.324 1 0 IKAFMO COc1cc(C2CCCCC2)c(OC)cc1C[C@H]1c2cc(O)c(Cl)cc2CC[N@H+]1C ZINC000045194054 563124191 /nfs/dbraw/zinc/12/41/91/563124191.db2.gz QEOHGLYJOMUWFA-QFIPXVFZSA-N 1 1 429.988 5.882 1 0 IKAFMO COc1cc(C2CCCCC2)c(OC)cc1C[C@H]1c2cc(O)c(Cl)cc2CC[N@@H+]1C ZINC000045194054 563124192 /nfs/dbraw/zinc/12/41/92/563124192.db2.gz QEOHGLYJOMUWFA-QFIPXVFZSA-N 1 1 429.988 5.882 1 0 IKAFMO CCCCCC[N@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000045194962 563124295 /nfs/dbraw/zinc/12/42/95/563124295.db2.gz AOJKWRMNFJAKLK-UHFFFAOYSA-N 1 1 449.683 6.324 1 0 IKAFMO CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045201629 563124821 /nfs/dbraw/zinc/12/48/21/563124821.db2.gz UPYRRKVDGCFLHC-FQEVSTJZSA-N 1 1 439.024 5.883 1 0 IKAFMO Cc1cc(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045229444 563126008 /nfs/dbraw/zinc/12/60/08/563126008.db2.gz YCMILAFOOKDIGZ-FQEVSTJZSA-N 1 1 444.421 5.358 1 0 IKAFMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000045202541 563125032 /nfs/dbraw/zinc/12/50/32/563125032.db2.gz YCFIVMIIZTVCMP-LJAQVGFWSA-N 1 1 439.603 5.962 1 0 IKAFMO CC(C)CC[N@H+]1CCCN(Cc2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000045202557 563125080 /nfs/dbraw/zinc/12/50/80/563125080.db2.gz FXBHWWMFAFHCDK-UHFFFAOYSA-N 1 1 435.656 5.790 1 0 IKAFMO C[NH+](C)CCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045210917 563125324 /nfs/dbraw/zinc/12/53/24/563125324.db2.gz SQVAAFGJEOMTHQ-UHFFFAOYSA-N 1 1 438.934 5.682 1 0 IKAFMO COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000045227366 563125510 /nfs/dbraw/zinc/12/55/10/563125510.db2.gz YOKVMHQAQPQLGB-INIZCTEOSA-N 1 1 446.378 5.364 1 0 IKAFMO CC[C@@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000045228294 563125594 /nfs/dbraw/zinc/12/55/94/563125594.db2.gz DDSRFAMOWJZKMB-RYTUXRKISA-N 1 1 436.603 6.030 1 0 IKAFMO Cc1[nH]c2cc(F)ccc2c1C1=CC[N@@H+](CCCC[C@@]2(C)c3cccc(F)c3NC2=O)CC1 ZINC000045228932 563125827 /nfs/dbraw/zinc/12/58/27/563125827.db2.gz UWPLSEIKDQMWIO-MHZLTWQESA-N 1 1 449.545 5.924 1 0 IKAFMO O[C@H](c1cccc2ccccc21)[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000045229273 563125859 /nfs/dbraw/zinc/12/58/59/563125859.db2.gz XFFYVBZPCUFWIJ-FRXPANAUSA-N 1 1 437.583 5.326 1 0 IKAFMO Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045258590 563127477 /nfs/dbraw/zinc/12/74/77/563127477.db2.gz RGFXAEWWEUXTCN-UHFFFAOYSA-N 1 1 429.499 5.008 1 0 IKAFMO O[C@H](c1ccc2ccccc2c1)[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000045301563 563129270 /nfs/dbraw/zinc/12/92/70/563129270.db2.gz BLEPDVZKUWUXPR-FRXPANAUSA-N 1 1 437.583 5.326 1 0 IKAFMO Cc1cccc2nc(-c3cccc(-c4cccc(C[NH2+]CCCN5CCCC5=O)c4)c3)[nH]c21 ZINC000045301824 563129279 /nfs/dbraw/zinc/12/92/79/563129279.db2.gz ZPIKFZUJOHTDDN-UHFFFAOYSA-N 1 1 438.575 5.307 1 0 IKAFMO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045316837 563130004 /nfs/dbraw/zinc/13/00/04/563130004.db2.gz XUNLURUXMYEZFT-UHFFFAOYSA-N 1 1 433.640 5.589 1 0 IKAFMO CCCCNC(=O)c1ccc2c(c1)[NH+]=C(C[C@@H](C)c1ccccc1)N(C1CCCCC1)C2 ZINC000045318812 563130126 /nfs/dbraw/zinc/13/01/26/563130126.db2.gz YITSWFJJNKPVTD-OAQYLSRUSA-N 1 1 431.624 6.589 1 0 IKAFMO CN(CC[NH3+])Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045321707 563130307 /nfs/dbraw/zinc/13/03/07/563130307.db2.gz WQLNJIRHBFLEQE-UHFFFAOYSA-N 1 1 430.499 5.368 1 0 IKAFMO C[NH+]1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)CC1 ZINC000045323299 563130676 /nfs/dbraw/zinc/13/06/76/563130676.db2.gz MEADPEOLAQSKAA-UHFFFAOYSA-N 1 1 428.511 5.316 1 0 IKAFMO CN1CCC[N@@H+](Cc2ccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2)CC1 ZINC000045334773 563131154 /nfs/dbraw/zinc/13/11/54/563131154.db2.gz MFRDVVCVEXEKOI-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@@H+]1CCCN(Cc2ccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2)CC1 ZINC000045334773 563131155 /nfs/dbraw/zinc/13/11/55/563131155.db2.gz MFRDVVCVEXEKOI-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO C[N@H+]1CCCN(Cc2ccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2)CC1 ZINC000045334773 563131156 /nfs/dbraw/zinc/13/11/56/563131156.db2.gz MFRDVVCVEXEKOI-UHFFFAOYSA-N 1 1 433.983 5.397 1 0 IKAFMO Cc1ccc2nc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2c1C ZINC000045334702 563131182 /nfs/dbraw/zinc/13/11/82/563131182.db2.gz PIGIMKPCEAYVHM-UHFFFAOYSA-N 1 1 438.575 5.241 1 0 IKAFMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 ZINC000045335342 563131314 /nfs/dbraw/zinc/13/13/14/563131314.db2.gz ZTBJTWFEVISZIS-HXUWFJFHSA-N 1 1 448.567 5.150 1 0 IKAFMO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)C1 ZINC000045335342 563131315 /nfs/dbraw/zinc/13/13/15/563131315.db2.gz ZTBJTWFEVISZIS-HXUWFJFHSA-N 1 1 448.567 5.150 1 0 IKAFMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)C1 ZINC000045335342 563131316 /nfs/dbraw/zinc/13/13/16/563131316.db2.gz ZTBJTWFEVISZIS-HXUWFJFHSA-N 1 1 448.567 5.150 1 0 IKAFMO O=C1Nc2cccc3c2[C@]1(CCCCC[NH+]1CCC(c2c[nH]c4ccncc42)CC1)CCC3 ZINC000045336805 563131528 /nfs/dbraw/zinc/13/15/28/563131528.db2.gz NGDMPGBEYGPASA-NDEPHWFRSA-N 1 1 442.607 5.529 1 0 IKAFMO CC[C@H]1CCC[N@H+]1CN1C(=O)c2cccc3c4sc(-c5ccccc5)nc4cc(c32)C1=O ZINC000045496120 563134406 /nfs/dbraw/zinc/13/44/06/563134406.db2.gz FDDSLXCCTPEFEX-KRWDZBQOSA-N 1 1 441.556 5.544 1 0 IKAFMO Cc1c(-c2ccc(Cl)cc2)noc1-c1ccc2cc(CC[N@@H+]3CCC[C@H]3C)ccc2n1 ZINC000049047622 563136678 /nfs/dbraw/zinc/13/66/78/563136678.db2.gz PBKPCQGTLBWXBQ-QGZVFWFLSA-N 1 1 431.967 6.545 1 0 IKAFMO CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc(N)n[nH]3)cc2)[nH+]1 ZINC000049052269 563136973 /nfs/dbraw/zinc/13/69/73/563136973.db2.gz ORZHWUMVNDRVKD-UHFFFAOYSA-N 1 1 444.583 5.120 1 0 IKAFMO CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc[nH]n3)cc2)[nH+]1 ZINC000049051761 563136990 /nfs/dbraw/zinc/13/69/90/563136990.db2.gz VVQGNIINIQGJHM-UHFFFAOYSA-N 1 1 429.568 5.538 1 0 IKAFMO C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@@H](C)C[N@H+]1C ZINC000049881835 563140597 /nfs/dbraw/zinc/14/05/97/563140597.db2.gz HEOBUSMYCWXIQQ-OXZWOSNHSA-N 1 1 429.689 5.552 1 0 IKAFMO O=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000058576587 563144979 /nfs/dbraw/zinc/14/49/79/563144979.db2.gz OVPPARVKZVMJMM-IXUZLCAHSA-N 1 1 449.466 6.504 1 0 IKAFMO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc([C@@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000058600047 563145683 /nfs/dbraw/zinc/14/56/83/563145683.db2.gz CYKJYRMLQDBGCW-PKTZIBPZSA-N 1 1 430.573 5.373 1 0 IKAFMO COc1ccc(C[N@H+]2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000061924030 563149668 /nfs/dbraw/zinc/14/96/68/563149668.db2.gz UYZPJLOZWDRLPZ-YGPDHOBYSA-N 1 1 432.539 5.310 3 0 IKAFMO CCCCCC[N@H+]1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923964 563149678 /nfs/dbraw/zinc/14/96/78/563149678.db2.gz NLUWSXLDLFCXDE-TWJOJJKGSA-N 1 1 436.575 5.322 3 0 IKAFMO C[C@]1(Oc2cnc(Cl)c3ccccc23)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061928288 563150377 /nfs/dbraw/zinc/15/03/77/563150377.db2.gz WVQCRCMIKQLUBN-NRFANRHFSA-N 1 1 436.861 5.830 3 0 IKAFMO O[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CCc2cc(OCc3ccccc3)ccc21 ZINC000064559939 563156215 /nfs/dbraw/zinc/15/62/15/563156215.db2.gz FYYPECHDWYQIST-SSEXGKCCSA-N 1 1 435.567 6.024 1 0 IKAFMO O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066259041 563160396 /nfs/dbraw/zinc/16/03/96/563160396.db2.gz WWAWDEKLBQPWBE-DYZUWXGSSA-N 1 1 448.975 5.310 1 0 IKAFMO O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066259041 563160397 /nfs/dbraw/zinc/16/03/97/563160397.db2.gz WWAWDEKLBQPWBE-DYZUWXGSSA-N 1 1 448.975 5.310 1 0 IKAFMO CC(C)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000066259741 563160564 /nfs/dbraw/zinc/16/05/64/563160564.db2.gz IFSPIITUKXZDJT-UHFFFAOYSA-N 1 1 429.486 5.649 1 0 IKAFMO c1ccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CC[N@H+]2CC2CC2)cc1 ZINC000071315849 563161884 /nfs/dbraw/zinc/16/18/84/563161884.db2.gz AWCPMZHAUCJKHX-UTOLSJPLSA-N 1 1 443.660 6.377 1 0 IKAFMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc32)c1 ZINC000072119963 563163793 /nfs/dbraw/zinc/16/37/93/563163793.db2.gz MKYWAKVWSOIUCP-UHFFFAOYSA-N 1 1 436.386 6.786 1 0 IKAFMO CSCC[C@@H](C(=O)Nc1c(C)cccc1C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000072134110 563164054 /nfs/dbraw/zinc/16/40/54/563164054.db2.gz FFVLPFHAQBBIGQ-VWLOTQADSA-N 1 1 432.633 6.066 3 0 IKAFMO O[C@@H]1C[N@@H+](CC2CCCCC2)[C@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142526 563164810 /nfs/dbraw/zinc/16/48/10/563164810.db2.gz NVLOOEBBXPYQSB-JIMJEQGWSA-N 1 1 434.559 5.014 1 0 IKAFMO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180198 563166764 /nfs/dbraw/zinc/16/67/64/563166764.db2.gz RVZGSHOSWHWPMO-GJZUVCINSA-N 1 1 431.624 6.441 1 0 IKAFMO Cc1cccc(N2CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2C)c1 ZINC000072184848 563167862 /nfs/dbraw/zinc/16/78/62/563167862.db2.gz VCYBUJMHPNIMKW-KRWDZBQOSA-N 1 1 426.358 5.123 1 0 IKAFMO Cc1cccc(N2CC[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2C)c1 ZINC000072184848 563167863 /nfs/dbraw/zinc/16/78/63/563167863.db2.gz VCYBUJMHPNIMKW-KRWDZBQOSA-N 1 1 426.358 5.123 1 0 IKAFMO COc1cc2c(cc1OC)[C@@H](C(C)C)[N@H+](Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185586 563168099 /nfs/dbraw/zinc/16/80/99/563168099.db2.gz NQGUSAYRANBZAO-HSZRJFAPSA-N 1 1 426.944 5.768 1 0 IKAFMO COc1cc2c(cc1OC)[C@@H](C(C)C)[N@@H+](Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185586 563168100 /nfs/dbraw/zinc/16/81/00/563168100.db2.gz NQGUSAYRANBZAO-HSZRJFAPSA-N 1 1 426.944 5.768 1 0 IKAFMO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@H+](CCCCC3CCOCC3)C[C@H]12 ZINC000073141980 563169053 /nfs/dbraw/zinc/16/90/53/563169053.db2.gz ZMARPWJFINEXBX-SFGWALBWSA-N 1 1 448.573 6.381 1 0 IKAFMO Oc1ccc2c(c1)[C@]13CC[N@@H+](Cc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3 ZINC000082150477 563173071 /nfs/dbraw/zinc/17/30/71/563173071.db2.gz RRSGRTDKSYKZRP-NPBSGPTKSA-N 1 1 432.567 5.424 1 0 IKAFMO O=C(N[C@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652303 563174888 /nfs/dbraw/zinc/17/48/88/563174888.db2.gz HNEDCQXLKCTODF-DMDYGQEQSA-N 1 1 440.647 5.929 1 0 IKAFMO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(C[N@@H+]3CCC[C@H]3C)cnc21 ZINC000084729829 563178461 /nfs/dbraw/zinc/17/84/61/563178461.db2.gz AQKXMQBBHLZKDC-GOSISDBHSA-N 1 1 429.564 5.569 1 0 IKAFMO COc1ccc([C@H]2c3ccc4ccccc4c3Oc3[nH+]c4c(c(N)c32)CCCC4)c(OC)c1 ZINC000095561505 563182450 /nfs/dbraw/zinc/18/24/50/563182450.db2.gz WVOGNNUVYUMTIT-DEOSSOPVSA-N 1 1 438.527 5.999 1 0 IKAFMO C[NH+]1CCN(CCCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562201 563182597 /nfs/dbraw/zinc/18/25/97/563182597.db2.gz DOUDDYLEUDBZLJ-ONWBCECJSA-N 1 1 442.691 6.215 1 0 IKAFMO CCc1cn(-c2ccc(-c3csc(Nc4ccc([NH+](CC)CC)cc4C)n3)cc2)cn1 ZINC000095575420 563185637 /nfs/dbraw/zinc/18/56/37/563185637.db2.gz OTVVJQWJPIYMSD-UHFFFAOYSA-N 1 1 431.609 6.456 1 0 IKAFMO CC(=O)c1ccc(SC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095579568 563187058 /nfs/dbraw/zinc/18/70/58/563187058.db2.gz SOAJSAYEVXCPBG-UHFFFAOYSA-N 1 1 446.641 5.673 1 0 IKAFMO c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1 ZINC000095590290 563189972 /nfs/dbraw/zinc/18/99/72/563189972.db2.gz VVPCRKVUSARVSE-UHFFFAOYSA-N 1 1 448.614 5.078 1 0 IKAFMO Cc1ccc(N2CC[NH+]([C@@H](CCc3ccccc3)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000095598822 563192235 /nfs/dbraw/zinc/19/22/35/563192235.db2.gz ACCXHLAPXDCMEO-MHZLTWQESA-N 1 1 441.619 5.374 3 0 IKAFMO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](CCc3ccccc3)[C@H]1N2C ZINC000095616227 563194269 /nfs/dbraw/zinc/19/42/69/563194269.db2.gz XVAIKIDWWWIJHZ-IAPPQJPRSA-N 1 1 441.575 5.588 1 0 IKAFMO Cc1c(OCCCCCC[N@@H+]2CCCC[C@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 ZINC000096271272 563196734 /nfs/dbraw/zinc/19/67/34/563196734.db2.gz DWHIUIXHPDJNKC-OAQYLSRUSA-N 1 1 433.592 6.582 1 0 IKAFMO OC[C@H]1CCC[N@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273978 563196922 /nfs/dbraw/zinc/19/69/22/563196922.db2.gz RTFDXMCUMYSUSC-XMMPIXPASA-N 1 1 429.589 5.706 1 0 IKAFMO Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H]([N@@H+]2CCC[C@@H]2C)C1 ZINC000096929244 563198473 /nfs/dbraw/zinc/19/84/73/563198473.db2.gz KHNWVNJDETVWJR-KKSFZXQISA-N 1 1 432.395 5.617 1 0 IKAFMO Clc1ccc(-c2n[nH]c(SCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000096934122 563199209 /nfs/dbraw/zinc/19/92/09/563199209.db2.gz AMISXROOXDYJRQ-UHFFFAOYSA-N 1 1 448.423 5.083 1 0 IKAFMO S=c1[nH]c(-c2ccc(Cl)cc2)nn1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096934127 563199233 /nfs/dbraw/zinc/19/92/33/563199233.db2.gz JQVDXLWXJFLHEV-UHFFFAOYSA-N 1 1 448.423 5.127 1 0 IKAFMO COc1ccc([C@@H]2SCCC(=O)N2CCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000098082203 563200461 /nfs/dbraw/zinc/20/04/61/563200461.db2.gz KXDQEOUBPORBEA-QHCPKHFHSA-N 1 1 441.984 5.363 1 0 IKAFMO