smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1Cl)C1CCCCC1 ZINC000006082943 557016317 /nfs/dbraw/zinc/01/63/17/557016317.db2.gz BXSMBQCDJIYWMS-OAQYLSRUSA-N 1 1 403.950 4.758 50 10 HJCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cc(Cl)ccc3OC)C2)c1O ZINC000011933943 558298367 /nfs/dbraw/zinc/29/83/67/558298367.db2.gz GAFKQFLCDDGVJP-OAHLLOKOSA-N 1 1 403.906 4.548 50 10 HJCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)OCCOc1ccccc1 ZINC000005182588 559289882 /nfs/dbraw/zinc/28/98/82/559289882.db2.gz QFIQTLSFSRSEMM-QGZVFWFLSA-N 1 1 423.509 4.915 50 10 HJCAMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000002626799 568789427 /nfs/dbraw/zinc/78/94/27/568789427.db2.gz ONRBXXSMQNRJMC-KRWDZBQOSA-N 1 1 422.308 4.734 50 10 HJCAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+]4CCCCCC4)c23)cc1OC ZINC000218091360 568925307 /nfs/dbraw/zinc/92/53/07/568925307.db2.gz NELGYPMGIUNMHY-UHFFFAOYSA-N 1 1 409.482 4.763 50 10 biogenic HJCAMO Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349246 569033361 /nfs/dbraw/zinc/03/33/61/569033361.db2.gz CKYDKWNJWTXZBC-AREMUKBSSA-N 1 1 413.565 4.590 50 10 HJCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1O ZINC000042986330 521336500 /nfs/dbraw/zinc/33/65/00/521336500.db2.gz WINVFDPJCYHEFQ-OAHLLOKOSA-N 1 1 413.468 4.839 50 10 HJCAMO CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914019 569267183 /nfs/dbraw/zinc/26/71/83/569267183.db2.gz BSMXCZKGEJGUMT-RUZDIDTESA-N 1 1 405.586 4.549 50 10 HJCAMO COc1ccc(N2CC[NH+](CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000052537687 569012887 /nfs/dbraw/zinc/01/28/87/569012887.db2.gz VJDNUQVSIQUUDA-UHFFFAOYSA-N 1 1 400.522 4.757 50 10 HJCAMO CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730717 569051616 /nfs/dbraw/zinc/05/16/16/569051616.db2.gz UETDCFQGTNLMSA-SIKLNZKXSA-N 1 1 412.574 4.538 50 10 biogenic HJCAMO CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730717 569051617 /nfs/dbraw/zinc/05/16/17/569051617.db2.gz UETDCFQGTNLMSA-SIKLNZKXSA-N 1 1 412.574 4.538 50 10 biogenic HJCAMO C[C@H](c1ccccc1)[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000095410939 568606735 /nfs/dbraw/zinc/60/67/35/568606735.db2.gz NDINBQQBQWOCIT-QGZVFWFLSA-N 1 1 419.912 4.817 50 10 HJCAMO CN(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000003647474 568866076 /nfs/dbraw/zinc/86/60/76/568866076.db2.gz ZQYOXKIJZZAKLY-JOCHJYFZSA-N 1 1 418.566 4.801 50 10 HJCAMO CN(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000003647474 568866078 /nfs/dbraw/zinc/86/60/78/568866078.db2.gz ZQYOXKIJZZAKLY-JOCHJYFZSA-N 1 1 418.566 4.801 50 10 HJCAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3cccnc3c2O)c(OC)c1 ZINC000005799006 557675224 /nfs/dbraw/zinc/67/52/24/557675224.db2.gz QCTSMVYNGPICEG-HSZRJFAPSA-N 1 1 401.466 4.863 50 10 HJCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc1)CC[C@@H](C)C2 ZINC000020532490 568628084 /nfs/dbraw/zinc/62/80/84/568628084.db2.gz PLSRPPVQVLLGCZ-UXHICEINSA-N 1 1 407.602 4.905 50 10 HJCAMO COC(=O)c1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002470550 568773550 /nfs/dbraw/zinc/77/35/50/568773550.db2.gz ZWLRRNAXOHKYIG-JOCHJYFZSA-N 1 1 413.477 4.940 50 10 HJCAMO CCOc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000058171391 568896365 /nfs/dbraw/zinc/89/63/65/568896365.db2.gz NVVRMUQJDMMGNK-IBGZPJMESA-N 1 1 404.510 4.993 50 10 HJCAMO CC[N@@H+](CCOC(C)=O)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O ZINC000071767098 558910692 /nfs/dbraw/zinc/91/06/92/558910692.db2.gz ISJKZHTYUPOZRU-UHFFFAOYSA-N 1 1 413.905 4.722 50 10 HJCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc1)CC[C@H](C)C2 ZINC000006877980 569164827 /nfs/dbraw/zinc/16/48/27/569164827.db2.gz PLSRPPVQVLLGCZ-PMACEKPBSA-N 1 1 407.602 4.905 50 10 HJCAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000004703476 557584297 /nfs/dbraw/zinc/58/42/97/557584297.db2.gz HSRJUIYSYAXNIE-UHFFFAOYSA-N 1 1 403.364 4.641 50 10 HJCAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)c(OC)c1 ZINC000012072374 558317755 /nfs/dbraw/zinc/31/77/55/558317755.db2.gz DHUQVYCEJLWCIF-GOSISDBHSA-N 1 1 405.494 4.658 50 10 HJCAMO COc1ccc(C[N@@H+](C)Cc2c(O)ccc3cc(Br)ccc32)cc1OC ZINC000003405934 568897135 /nfs/dbraw/zinc/89/71/35/568897135.db2.gz FNYWYXXHXCTCHN-UHFFFAOYSA-N 1 1 416.315 4.957 50 10 HJCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC000023280744 558547625 /nfs/dbraw/zinc/54/76/25/558547625.db2.gz VDLIAGAZJQQHCH-KRWDZBQOSA-N 1 1 408.464 4.888 50 10 HJCAMO CCN(C)c1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1F ZINC000078869791 569420933 /nfs/dbraw/zinc/42/09/33/569420933.db2.gz HPLDMDVNRSBQCL-UHFFFAOYSA-N 1 1 418.919 4.917 50 10 HJCAMO Oc1ccc2ccccc2c1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016875789 558808738 /nfs/dbraw/zinc/80/87/38/558808738.db2.gz OTLQYCBEBRKDBC-UHFFFAOYSA-N 1 1 401.432 4.672 50 10 HJCAMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)c3ccccc3c2O)c(OC)c1OC ZINC000013073724 569056416 /nfs/dbraw/zinc/05/64/16/569056416.db2.gz CJOXGOLWRCERMQ-UHFFFAOYSA-N 1 1 401.890 4.857 50 10 HJCAMO COc1ccc(O)c(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012205902 558352789 /nfs/dbraw/zinc/35/27/89/558352789.db2.gz IRBSOAQUNMNREX-QFIPXVFZSA-N 1 1 423.601 4.843 50 10 HJCAMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000002626801 568789500 /nfs/dbraw/zinc/78/95/00/568789500.db2.gz ONRBXXSMQNRJMC-QGZVFWFLSA-N 1 1 422.308 4.734 50 10 HJCAMO COc1ccc2ccc(O)c(C[N@@H+](C)CC(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000008280020 568987322 /nfs/dbraw/zinc/98/73/22/568987322.db2.gz MIZOKZFSDDJHPA-UHFFFAOYSA-N 1 1 418.415 4.643 50 10 HJCAMO Cc1c([O-])c(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c3ccccc3c(=O)oc12 ZINC000524730425 569393735 /nfs/dbraw/zinc/39/37/35/569393735.db2.gz IUHFXUKQOWDGLR-FDDCHVKYSA-N 1 1 420.553 4.657 50 10 biogenic HJCAMO Cc1c([O-])c(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c3ccccc3c(=O)oc12 ZINC000524730425 569393736 /nfs/dbraw/zinc/39/37/36/569393736.db2.gz IUHFXUKQOWDGLR-FDDCHVKYSA-N 1 1 420.553 4.657 50 10 biogenic HJCAMO Cc1c([O-])c(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c3ccccc3c(=O)oc12 ZINC000524730425 569393738 /nfs/dbraw/zinc/39/37/38/569393738.db2.gz IUHFXUKQOWDGLR-FDDCHVKYSA-N 1 1 420.553 4.657 50 10 biogenic HJCAMO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000055211942 558876290 /nfs/dbraw/zinc/87/62/90/558876290.db2.gz RHYDFXQAFGOKRW-JOCHJYFZSA-N 1 1 423.601 4.843 50 10 HJCAMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000003425880 568900443 /nfs/dbraw/zinc/90/04/43/568900443.db2.gz CZBLHLGOEJTEML-QGZVFWFLSA-N 1 1 422.308 4.734 50 10 HJCAMO O=C(c1ccc(Br)s1)c1coc2ccc(O)c(C[NH+]3CCCC3)c12 ZINC000253404010 569051437 /nfs/dbraw/zinc/05/14/37/569051437.db2.gz HOZJOOXPFLWNQE-UHFFFAOYSA-N 1 1 406.301 4.789 50 10 HJCAMO C[C@@H](c1ccccc1)[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000095410938 568606747 /nfs/dbraw/zinc/60/67/47/568606747.db2.gz NDINBQQBQWOCIT-KRWDZBQOSA-N 1 1 419.912 4.817 50 10 HJCAMO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349277 569033375 /nfs/dbraw/zinc/03/33/75/569033375.db2.gz NQLPCWUBVLNAGO-SANMLTNESA-N 1 1 413.565 4.590 50 10 HJCAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)cc1 ZINC000057303750 568826417 /nfs/dbraw/zinc/82/64/17/568826417.db2.gz CGHZOOYGPKULLK-UHFFFAOYSA-N 1 1 406.526 4.556 50 10 HJCAMO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349278 569033385 /nfs/dbraw/zinc/03/33/85/569033385.db2.gz NQLPCWUBVLNAGO-AREMUKBSSA-N 1 1 413.565 4.590 50 10 HJCAMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1c(O)ccc2ccccc21 ZINC000006430195 569048792 /nfs/dbraw/zinc/04/87/92/569048792.db2.gz LFIUBUYJHDWZQW-UHFFFAOYSA-N 1 1 402.416 4.813 50 10 HJCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc1)CC[C@@H](C)C2 ZINC000169680976 569127009 /nfs/dbraw/zinc/12/70/09/569127009.db2.gz PLSRPPVQVLLGCZ-WOJBJXKFSA-N 1 1 407.602 4.905 50 10 HJCAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)c(OC)c1 ZINC000012072375 558317825 /nfs/dbraw/zinc/31/78/25/558317825.db2.gz DHUQVYCEJLWCIF-SFHVURJKSA-N 1 1 405.494 4.658 50 10 HJCAMO COC(=O)c1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002470546 568773581 /nfs/dbraw/zinc/77/35/81/568773581.db2.gz ZWLRRNAXOHKYIG-QFIPXVFZSA-N 1 1 413.477 4.940 50 10 HJCAMO COc1ccc(-c2cc(=O)c3c(ccc(O)c3C[N@@H+](C)Cc3ccccc3)o2)cc1 ZINC000001321154 568914433 /nfs/dbraw/zinc/91/44/33/568914433.db2.gz YXMVZNCUHKKFII-UHFFFAOYSA-N 1 1 401.462 4.806 50 10 HJCAMO Cc1c(O)c(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc2c3c(c(=O)oc12)CCC3 ZINC000006760786 569114195 /nfs/dbraw/zinc/11/41/95/569114195.db2.gz ZRKCTCVNNVQUBF-UHFFFAOYSA-N 1 1 403.400 4.604 50 10 HJCAMO C[NH+]1CCN(c2cc(NC3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737914 132314156 /nfs/dbraw/zinc/31/41/56/132314156.db2.gz MPWQAUCNBAMLPD-UHFFFAOYSA-N 1 1 416.525 4.536 50 10 HJCAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3cccnc3c2O)c(OC)c1 ZINC000005799002 557675110 /nfs/dbraw/zinc/67/51/10/557675110.db2.gz QCTSMVYNGPICEG-QHCPKHFHSA-N 1 1 401.466 4.863 50 10 HJCAMO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000055211941 558876173 /nfs/dbraw/zinc/87/61/73/558876173.db2.gz RHYDFXQAFGOKRW-QFIPXVFZSA-N 1 1 423.601 4.843 50 10 HJCAMO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+]4CCC[C@@H](C)C4)c32)cc1 ZINC000005182578 559289738 /nfs/dbraw/zinc/28/97/38/559289738.db2.gz XRHVQJPPJUQOQO-OAHLLOKOSA-N 1 1 408.498 4.940 50 10 HJCAMO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+]4CCC[C@H](C)C4)c32)cc1 ZINC000005182575 559289751 /nfs/dbraw/zinc/28/97/51/559289751.db2.gz XRHVQJPPJUQOQO-HNNXBMFYSA-N 1 1 408.498 4.940 50 10 HJCAMO Cc1ccc(Nc2cc(N3CC[NH+](C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002301033 132251953 /nfs/dbraw/zinc/25/19/53/132251953.db2.gz NYIXYEAJZSVRLN-UHFFFAOYSA-N 1 1 424.504 4.843 50 10 HJCAMO Cc1cccc(Nc2cc(N3CC[NH+](C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000002306996 132252135 /nfs/dbraw/zinc/25/21/35/132252135.db2.gz IJNPBTUMYXAIDB-UHFFFAOYSA-N 1 1 424.504 4.843 50 10 HJCAMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000003425874 568900415 /nfs/dbraw/zinc/90/04/15/568900415.db2.gz CZBLHLGOEJTEML-KRWDZBQOSA-N 1 1 422.308 4.734 50 10 HJCAMO Oc1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1Cl)C1CCCCC1 ZINC000006082940 568996501 /nfs/dbraw/zinc/99/65/01/568996501.db2.gz BXSMBQCDJIYWMS-NRFANRHFSA-N 1 1 403.950 4.758 50 10 HJCAMO CN(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000003647476 568866161 /nfs/dbraw/zinc/86/61/61/568866161.db2.gz ZQYOXKIJZZAKLY-QFIPXVFZSA-N 1 1 418.566 4.801 50 10 HJCAMO CN(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000003647476 568866164 /nfs/dbraw/zinc/86/61/64/568866164.db2.gz ZQYOXKIJZZAKLY-QFIPXVFZSA-N 1 1 418.566 4.801 50 10 HJCAMO CCOc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1O ZINC000042986327 521342601 /nfs/dbraw/zinc/34/26/01/521342601.db2.gz WINVFDPJCYHEFQ-HNNXBMFYSA-N 1 1 413.468 4.839 50 10 HJCAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000011878854 558293302 /nfs/dbraw/zinc/29/33/02/558293302.db2.gz QFWYOOAZRFCTQX-OAQYLSRUSA-N 1 1 416.521 4.919 50 10 HJCAMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)c3cc(Cl)ccc3OC)C2)c1O ZINC000011933944 558298303 /nfs/dbraw/zinc/29/83/03/558298303.db2.gz GAFKQFLCDDGVJP-HNNXBMFYSA-N 1 1 403.906 4.548 50 10 HJCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)CCCC2 ZINC000006877898 569164885 /nfs/dbraw/zinc/16/48/85/569164885.db2.gz QNAGLTYLBNZYBR-BGYRXZFFSA-N 1 1 407.602 4.762 50 10 HJCAMO Cc1ccccc1Nc1cc(N2CC[NH+](C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002293447 132251780 /nfs/dbraw/zinc/25/17/80/132251780.db2.gz MYJKSXXWQADJQJ-UHFFFAOYSA-N 1 1 424.504 4.843 50 10 HJCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)OCCOc1ccccc1 ZINC000005182585 559289716 /nfs/dbraw/zinc/28/97/16/559289716.db2.gz QFIQTLSFSRSEMM-KRWDZBQOSA-N 1 1 423.509 4.915 50 10 HJCAMO Oc1ccccc1C[N@@H+]1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000096281847 568719081 /nfs/dbraw/zinc/71/90/81/568719081.db2.gz FHMMHGJOXNBUOW-UHFFFAOYSA-N 1 1 416.525 4.523 50 10 HJCAMO Oc1ccccc1C[N@H+]1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000096281847 568719084 /nfs/dbraw/zinc/71/90/84/568719084.db2.gz FHMMHGJOXNBUOW-UHFFFAOYSA-N 1 1 416.525 4.523 50 10 HJCAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000008196989 568982380 /nfs/dbraw/zinc/98/23/80/568982380.db2.gz FTIQESXSIGYRGE-UHFFFAOYSA-N 1 1 413.477 4.606 50 10 HJCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC000023280741 558547550 /nfs/dbraw/zinc/54/75/50/558547550.db2.gz VDLIAGAZJQQHCH-QGZVFWFLSA-N 1 1 408.464 4.888 50 10 HJCAMO O=C(c1ccsc1)c1coc2ccc(O)c(C[NH+]3CCN(c4ccccc4)CC3)c12 ZINC000218563554 568481773 /nfs/dbraw/zinc/48/17/73/568481773.db2.gz UVNLHDAXWWSACF-UHFFFAOYSA-N 1 1 418.518 4.753 50 10 HJCAMO C[NH+]1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 ZINC000020902475 568650336 /nfs/dbraw/zinc/65/03/36/568650336.db2.gz PLPYSGDHFFNJAR-UHFFFAOYSA-N 1 1 413.565 4.801 50 10 HJCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc1)CC[C@H](C)C2 ZINC000006877981 569164846 /nfs/dbraw/zinc/16/48/46/569164846.db2.gz PLSRPPVQVLLGCZ-VQTJNVASSA-N 1 1 407.602 4.905 50 10 HJCAMO CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914022 569267291 /nfs/dbraw/zinc/26/72/91/569267291.db2.gz BSMXCZKGEJGUMT-VWLOTQADSA-N 1 1 405.586 4.549 50 10 HJCAMO O=C(c1coc2ccc(O)c(C[NH+]3CCCC3)c12)c1ccc(Br)cc1 ZINC000218487367 568878380 /nfs/dbraw/zinc/87/83/80/568878380.db2.gz QSYWYMSCKKTWCR-UHFFFAOYSA-N 1 1 400.272 4.728 50 10 HJCAMO CCOc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000058171392 568896237 /nfs/dbraw/zinc/89/62/37/568896237.db2.gz NVVRMUQJDMMGNK-LJQANCHMSA-N 1 1 404.510 4.993 50 10 HJCAMO Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349245 569033395 /nfs/dbraw/zinc/03/33/95/569033395.db2.gz CKYDKWNJWTXZBC-SANMLTNESA-N 1 1 413.565 4.590 50 10 HJCAMO COc1ccc(O)c(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012205910 558352835 /nfs/dbraw/zinc/35/28/35/558352835.db2.gz IRBSOAQUNMNREX-JOCHJYFZSA-N 1 1 423.601 4.843 50 10 HJCAMO FC(F)(F)C1CCN(c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000263639952 571043608 /nfs/dbraw/zinc/04/36/08/571043608.db2.gz PPOYNPRWDCMTLD-UHFFFAOYSA-N 1 1 417.519 4.783 50 10 HJCAMO C[NH+]1CCN(c2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002301417 132251961 /nfs/dbraw/zinc/25/19/61/132251961.db2.gz BGKLBSULSCRBHH-UHFFFAOYSA-N 1 1 410.477 4.535 50 10 HJCAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000011878855 558293440 /nfs/dbraw/zinc/29/34/40/558293440.db2.gz QFWYOOAZRFCTQX-NRFANRHFSA-N 1 1 416.521 4.919 50 10 HJCAMO