smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](NCc1cc(C)cc(OC)c1O)c1c(C)noc1C ZINC000894362887 1013119546 /nfs/dbraw/zinc/11/95/46/1013119546.db2.gz YREQGAILWVYVKU-CQSZACIVSA-N 0 3 304.390 3.555 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1[O-] ZINC000154973738 1013126553 /nfs/dbraw/zinc/12/65/53/1013126553.db2.gz KECXJZLGAMMXDA-IBGZPJMESA-N 0 3 321.424 3.878 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1ccccc1[O-] ZINC000155224763 1013306253 /nfs/dbraw/zinc/30/62/53/1013306253.db2.gz GKNWKHPSQIXZSL-HNNXBMFYSA-N 0 3 301.386 3.650 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1[O-] ZINC000155510243 1013886724 /nfs/dbraw/zinc/88/67/24/1013886724.db2.gz QUUFUQHKENKLBK-QGZVFWFLSA-N 0 3 312.413 3.817 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2SCCS2)c1[O-] ZINC000850561525 1021605965 /nfs/dbraw/zinc/60/59/65/1021605965.db2.gz OGFJPWPPUJRORN-SECBINFHSA-N 0 3 303.880 3.811 20 10 DHCDHN COc1cc(Br)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000091937425 1014120571 /nfs/dbraw/zinc/12/05/71/1014120571.db2.gz MDCKIWNKUSIKQZ-UWVGGRQHSA-N 0 3 314.223 3.536 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000153231822 1033568350 /nfs/dbraw/zinc/56/83/50/1033568350.db2.gz ZFFLWWKLGNLXSY-OAHLLOKOSA-N 0 3 303.427 3.635 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000153231822 1033568357 /nfs/dbraw/zinc/56/83/57/1033568357.db2.gz ZFFLWWKLGNLXSY-OAHLLOKOSA-N 0 3 303.427 3.635 20 10 DHCDHN C[C@@H](NCc1cncn1C)c1ccc(N2CCCCCC2)cc1 ZINC000289908498 1014670915 /nfs/dbraw/zinc/67/09/15/1014670915.db2.gz UGBYVOIMDOXRLQ-MRXNPFEDSA-N 0 3 312.461 3.651 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1[O-] ZINC000185080203 1016547757 /nfs/dbraw/zinc/54/77/57/1016547757.db2.gz BHTSYWYWUNHAEX-YVEFUNNKSA-N 0 3 320.383 3.624 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000896893421 1016570460 /nfs/dbraw/zinc/57/04/60/1016570460.db2.gz YXZVCUNXWSCFDR-GDBMZVCRSA-N 0 3 307.315 3.670 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1CC(F)(F)C1 ZINC000277582820 1016704546 /nfs/dbraw/zinc/70/45/46/1016704546.db2.gz UDYBQUHYPDLBHV-UHFFFAOYSA-N 0 3 319.351 3.859 20 10 DHCDHN COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185186615 1016716329 /nfs/dbraw/zinc/71/63/29/1016716329.db2.gz ZKASFHWNDOMALZ-CQSZACIVSA-N 0 3 315.413 3.611 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000896946048 1016950750 /nfs/dbraw/zinc/95/07/50/1016950750.db2.gz OHVZOIJXIGKYCC-UHFFFAOYSA-N 0 3 314.454 3.717 20 10 DHCDHN CCC[N@H+](CCc1cccs1)Cc1cccc(OC)c1[O-] ZINC000185586227 1017032901 /nfs/dbraw/zinc/03/29/01/1017032901.db2.gz KLOHDEXMOFVGJX-UHFFFAOYSA-N 0 3 305.443 3.917 20 10 DHCDHN CCC[N@@H+](CCc1cccs1)Cc1cccc(OC)c1[O-] ZINC000185586227 1017032912 /nfs/dbraw/zinc/03/29/12/1017032912.db2.gz KLOHDEXMOFVGJX-UHFFFAOYSA-N 0 3 305.443 3.917 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000192783967 1017058833 /nfs/dbraw/zinc/05/88/33/1017058833.db2.gz VYKGTFFLEAIIFZ-KGLIPLIRSA-N 0 3 313.397 3.884 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cc(F)ccc2OC)c1 ZINC000192809130 1017065260 /nfs/dbraw/zinc/06/52/60/1017065260.db2.gz FLOIBBAPTAQRGH-VXGBXAGGSA-N 0 3 319.376 3.960 20 10 DHCDHN CCCOc1ccc(C[NH2+]CC(C)(C)c2ccccn2)c([O-])c1 ZINC000294927962 1032215021 /nfs/dbraw/zinc/21/50/21/1032215021.db2.gz ZGJBPYLJHNHUIJ-UHFFFAOYSA-N 0 3 314.429 3.643 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c([O-])c1 ZINC000192846885 1017093668 /nfs/dbraw/zinc/09/36/68/1017093668.db2.gz KPFKGNCQIBQHBG-OLZOCXBDSA-N 0 3 313.401 3.603 20 10 DHCDHN Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(C)o1 ZINC000160193156 1011986651 /nfs/dbraw/zinc/98/66/51/1011986651.db2.gz OMRMVLLRHFXBOJ-GOSISDBHSA-N 0 3 315.413 3.783 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1[O-] ZINC001171456481 1032718732 /nfs/dbraw/zinc/71/87/32/1032718732.db2.gz BIUSFAXNCIKLLK-RISCZKNCSA-N 0 3 303.352 3.879 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494784 1032735039 /nfs/dbraw/zinc/73/50/39/1032735039.db2.gz TZVNDMKGSBFYGY-HNNXBMFYSA-N 0 3 303.352 3.660 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494784 1032735053 /nfs/dbraw/zinc/73/50/53/1032735053.db2.gz TZVNDMKGSBFYGY-HNNXBMFYSA-N 0 3 303.352 3.660 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494785 1032735914 /nfs/dbraw/zinc/73/59/14/1032735914.db2.gz TZVNDMKGSBFYGY-OAHLLOKOSA-N 0 3 303.352 3.660 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494785 1032735926 /nfs/dbraw/zinc/73/59/26/1032735926.db2.gz TZVNDMKGSBFYGY-OAHLLOKOSA-N 0 3 303.352 3.660 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000701921660 1018123649 /nfs/dbraw/zinc/12/36/49/1018123649.db2.gz ZKZKSQXBIYFDIH-KBPBESRZSA-N 0 3 322.449 3.607 20 10 DHCDHN CCOC1CCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000091677503 1018885033 /nfs/dbraw/zinc/88/50/33/1018885033.db2.gz BPTGAUZEIJAHNR-UHFFFAOYSA-N 0 3 308.441 3.673 20 10 DHCDHN C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc2ccccc2c1[O-] ZINC000020826548 1032793007 /nfs/dbraw/zinc/79/30/07/1032793007.db2.gz WCOLALTXFMJPKI-CQSZACIVSA-N 0 3 300.446 3.784 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cc(Cl)cc2c1OCC2 ZINC000922986212 1018964743 /nfs/dbraw/zinc/96/47/43/1018964743.db2.gz FBGYNAORCMSMOF-NSHDSACASA-N 0 3 303.789 3.831 20 10 DHCDHN C[C@H](NCc1ccccc1O)c1cc(Cl)cc2c1OCC2 ZINC000922986212 1018964754 /nfs/dbraw/zinc/96/47/54/1018964754.db2.gz FBGYNAORCMSMOF-NSHDSACASA-N 0 3 303.789 3.831 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000858258786 1032821161 /nfs/dbraw/zinc/82/11/61/1032821161.db2.gz OKJZRUDTTSVDRH-WKILWMFISA-N 0 3 321.461 3.864 20 10 DHCDHN CCCCN(Cc1ccnn1CC1CC1)Cc1ccccc1O ZINC000825788397 1032834542 /nfs/dbraw/zinc/83/45/42/1032834542.db2.gz GSROPSKQJXMIKQ-UHFFFAOYSA-N 0 3 313.445 3.801 20 10 DHCDHN Cc1cc(CNCc2cnn3c2CCC3)c(C)n1-c1ccccc1 ZINC000858294554 1032836000 /nfs/dbraw/zinc/83/60/00/1032836000.db2.gz IPZPTCQFIQWOLV-UHFFFAOYSA-N 0 3 320.440 3.527 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000858299191 1032836305 /nfs/dbraw/zinc/83/63/05/1032836305.db2.gz QPWUWUJZTFFSER-QUCCMNQESA-N 0 3 309.409 3.716 20 10 DHCDHN CCCCN(Cc1c(C2CC2)cnn1C)Cc1ccccc1O ZINC000825788675 1032839959 /nfs/dbraw/zinc/83/99/59/1032839959.db2.gz ISGMZNCQMOLGBQ-UHFFFAOYSA-N 0 3 313.445 3.805 20 10 DHCDHN CN(C)c1ccc(CNCc2ccc3cccnc3c2)cc1F ZINC000727468389 1019720117 /nfs/dbraw/zinc/72/01/17/1019720117.db2.gz KDUFRULZPUZJGB-UHFFFAOYSA-N 0 3 309.388 3.730 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001171733327 1032849887 /nfs/dbraw/zinc/84/98/87/1032849887.db2.gz QUBLQUXQRGDIBP-LZLYRXPVSA-N 0 3 310.441 3.706 20 10 DHCDHN COc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1C ZINC000731041752 1020060089 /nfs/dbraw/zinc/06/00/89/1020060089.db2.gz UJTVCLDHBFEZLB-UHFFFAOYSA-N 0 3 312.413 3.511 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000731041622 1020060115 /nfs/dbraw/zinc/06/01/15/1020060115.db2.gz KHHHXTOIRSMCNN-HXUWFJFHSA-N 0 3 322.452 3.633 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCCc1cccc(Br)c1 ZINC000731217758 1020084014 /nfs/dbraw/zinc/08/40/14/1020084014.db2.gz MAPNCGQEZUHGOI-UHFFFAOYSA-N 0 3 320.230 3.877 20 10 DHCDHN CN(C)c1ccc(/C=C/CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922585339 1020143832 /nfs/dbraw/zinc/14/38/32/1020143832.db2.gz RMDNVDVGGZQKED-XJDXJNMNSA-N 0 3 307.441 3.902 20 10 DHCDHN COc1ccc(C2(NCc3ccc(N(C)C)c(F)c3)CC2)cc1 ZINC000733328174 1020375010 /nfs/dbraw/zinc/37/50/10/1020375010.db2.gz PQJCSEBWWOAHAD-UHFFFAOYSA-N 0 3 314.404 3.679 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000858442591 1032896511 /nfs/dbraw/zinc/89/65/11/1032896511.db2.gz KAPUWAICOWTUJT-PKOBYXMFSA-N 0 3 315.413 3.829 20 10 DHCDHN CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1[O-])CCO2 ZINC000186694267 1020398824 /nfs/dbraw/zinc/39/88/24/1020398824.db2.gz YKQSNVBLFIAMIE-CXAGYDPISA-N 0 3 313.397 3.965 20 10 DHCDHN CCCC[N@H+](CCCn1ccnc1C)Cc1ccccc1[O-] ZINC000282571314 1020464169 /nfs/dbraw/zinc/46/41/69/1020464169.db2.gz ZOKVPBIDYJGGQF-UHFFFAOYSA-N 0 3 301.434 3.590 20 10 DHCDHN CCCC[N@@H+](CCCn1ccnc1C)Cc1ccccc1[O-] ZINC000282571314 1020464172 /nfs/dbraw/zinc/46/41/72/1020464172.db2.gz ZOKVPBIDYJGGQF-UHFFFAOYSA-N 0 3 301.434 3.590 20 10 DHCDHN C[C@@H]1SCCN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000735668619 1020760290 /nfs/dbraw/zinc/76/02/90/1020760290.db2.gz JYLSQRJRDGTEAS-RYUDHWBXSA-N 0 3 309.475 3.721 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC000858543800 1032940216 /nfs/dbraw/zinc/94/02/16/1032940216.db2.gz WSYTUMNWCMXJEA-AWEZNQCLSA-N 0 3 308.429 3.976 20 10 DHCDHN Cc1cc(CN[C@H](C)c2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC000858543803 1032940773 /nfs/dbraw/zinc/94/07/73/1032940773.db2.gz WSYTUMNWCMXJEA-CQSZACIVSA-N 0 3 308.429 3.976 20 10 DHCDHN C[C@@H]1CCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742386332 1021109659 /nfs/dbraw/zinc/10/96/59/1021109659.db2.gz ARTBKBXHCYPVHJ-MRXNPFEDSA-N 0 3 310.441 3.633 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cc(F)ccc1[O-] ZINC000376520331 1021215423 /nfs/dbraw/zinc/21/54/23/1021215423.db2.gz YIWGHDCPOBZVGE-LBPRGKRZSA-N 0 3 311.360 3.772 20 10 DHCDHN Oc1cc2c(cc1CNC1(c3ccc(Cl)cc3)CC1)OCO2 ZINC000112204063 1021363971 /nfs/dbraw/zinc/36/39/71/1021363971.db2.gz KEAVTFQLSBNCMK-UHFFFAOYSA-N 0 3 317.772 3.553 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc(Cl)c1 ZINC000743870485 1021396623 /nfs/dbraw/zinc/39/66/23/1021396623.db2.gz TWJAZKBBTYHMGS-SFHVURJKSA-N 0 3 319.832 3.991 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc(Cl)c1 ZINC000743870485 1021396641 /nfs/dbraw/zinc/39/66/41/1021396641.db2.gz TWJAZKBBTYHMGS-SFHVURJKSA-N 0 3 319.832 3.991 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C(F)F)nc1 ZINC000850422245 1021524777 /nfs/dbraw/zinc/52/47/77/1021524777.db2.gz KDSQIUGPOZNXII-GFCCVEGCSA-N 0 3 305.372 3.936 20 10 DHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488936 1021561731 /nfs/dbraw/zinc/56/17/31/1021561731.db2.gz PPZYMHBTCMMNTQ-LSDHHAIUSA-N 0 3 300.402 3.526 20 10 DHCDHN C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000850523083 1021574394 /nfs/dbraw/zinc/57/43/94/1021574394.db2.gz YBJHUVJQVIIQKB-ABAIWWIYSA-N 0 3 319.351 3.715 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccoc2)c1[O-] ZINC000850531816 1021585057 /nfs/dbraw/zinc/58/50/57/1021585057.db2.gz OAMPMIIHYSYEOD-NSHDSACASA-N 0 3 324.218 3.949 20 10 DHCDHN CC(C)[C@H](O)[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000850557892 1021603842 /nfs/dbraw/zinc/60/38/42/1021603842.db2.gz ZYFGGIDFGQTVTI-DBVUQKKJSA-N 0 3 311.425 3.727 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1cc(F)ccc1OC(F)F)CC2 ZINC000850570301 1021612813 /nfs/dbraw/zinc/61/28/13/1021612813.db2.gz UHNRDBOHEDGOGM-ZDUSSCGKSA-N 0 3 323.314 3.910 20 10 DHCDHN C[C@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850583553 1021621999 /nfs/dbraw/zinc/62/19/99/1021621999.db2.gz LJSDXZVJSMFDGM-VAOGDNLBSA-N 0 3 315.388 3.791 20 10 DHCDHN C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000109769061 1021746934 /nfs/dbraw/zinc/74/69/34/1021746934.db2.gz SHQNSFWCZVMQQM-UHFFFAOYSA-N 0 3 318.804 3.506 20 10 DHCDHN C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000109769061 1021746941 /nfs/dbraw/zinc/74/69/41/1021746941.db2.gz SHQNSFWCZVMQQM-UHFFFAOYSA-N 0 3 318.804 3.506 20 10 DHCDHN COc1ccc(O)c(CN(C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000179661357 1022071916 /nfs/dbraw/zinc/07/19/16/1022071916.db2.gz LEHNKHYIFKLUQZ-LLVKDONJSA-N 0 3 307.340 3.872 20 10 DHCDHN CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183425264 1022142551 /nfs/dbraw/zinc/14/25/51/1022142551.db2.gz KSOJBFPCKDABIM-AWEZNQCLSA-N 0 3 312.413 3.982 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1[O-] ZINC000183451602 1022148510 /nfs/dbraw/zinc/14/85/10/1022148510.db2.gz CBZWRGQPCPIKPL-LSDHHAIUSA-N 0 3 324.424 3.931 20 10 DHCDHN COc1ccc(O)c(CN(C)Cc2ccc(F)c(Cl)c2)c1 ZINC000763620139 1022157528 /nfs/dbraw/zinc/15/75/28/1022157528.db2.gz FUNXMLWWYQALPR-UHFFFAOYSA-N 0 3 309.768 3.825 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000183514041 1022167847 /nfs/dbraw/zinc/16/78/47/1022167847.db2.gz OYOBNHCKXFHXME-FUHWJXTLSA-N 0 3 310.441 3.707 20 10 DHCDHN COc1cccc(OCCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183610553 1022209640 /nfs/dbraw/zinc/20/96/40/1022209640.db2.gz WYECGBXUNAHYIF-AWEZNQCLSA-N 0 3 301.386 3.521 20 10 DHCDHN Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000183619923 1022213840 /nfs/dbraw/zinc/21/38/40/1022213840.db2.gz ZTOLPGJFSKJOMC-OAHLLOKOSA-N 0 3 307.397 3.737 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000179553449 1022470416 /nfs/dbraw/zinc/47/04/16/1022470416.db2.gz OAEFNWLVUGDXBO-INIZCTEOSA-N 0 3 311.381 3.501 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000179553449 1022470427 /nfs/dbraw/zinc/47/04/27/1022470427.db2.gz OAEFNWLVUGDXBO-INIZCTEOSA-N 0 3 311.381 3.501 20 10 DHCDHN CCOc1ccc2c(c1)[C@H](NCc1cc(C)ccc1O)CCO2 ZINC000187546091 1022678567 /nfs/dbraw/zinc/67/85/67/1022678567.db2.gz UWKBYQBARALHEK-QGZVFWFLSA-N 0 3 313.397 3.713 20 10 DHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC000768230176 1022930268 /nfs/dbraw/zinc/93/02/68/1022930268.db2.gz RZZFVUITTGRKJN-SFHVURJKSA-N 0 3 311.425 3.998 20 10 DHCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC000768230176 1022930278 /nfs/dbraw/zinc/93/02/78/1022930278.db2.gz RZZFVUITTGRKJN-SFHVURJKSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cc(Br)cc(C[N@H+](C)CCC(C)C)c1[O-] ZINC000768262992 1022936737 /nfs/dbraw/zinc/93/67/37/1022936737.db2.gz NHORDDRDDXDSKQ-UHFFFAOYSA-N 0 3 316.239 3.641 20 10 DHCDHN COc1cc(Br)cc(C[N@@H+](C)CCC(C)C)c1[O-] ZINC000768262992 1022936745 /nfs/dbraw/zinc/93/67/45/1022936745.db2.gz NHORDDRDDXDSKQ-UHFFFAOYSA-N 0 3 316.239 3.641 20 10 DHCDHN C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccccc1[O-] ZINC000759827187 1023080848 /nfs/dbraw/zinc/08/08/48/1023080848.db2.gz GSKOJDSSAOHCCE-GFCCVEGCSA-N 0 3 320.230 3.876 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000769464790 1023159786 /nfs/dbraw/zinc/15/97/86/1023159786.db2.gz ANVMVIRFNUYCII-ZFWWWQNUSA-N 0 3 315.388 3.918 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000769464790 1023159789 /nfs/dbraw/zinc/15/97/89/1023159789.db2.gz ANVMVIRFNUYCII-ZFWWWQNUSA-N 0 3 315.388 3.918 20 10 DHCDHN CCC[N@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769471642 1023163306 /nfs/dbraw/zinc/16/33/06/1023163306.db2.gz WXBWJRMFSIDTEK-KBAYOESNSA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769471642 1023163308 /nfs/dbraw/zinc/16/33/08/1023163308.db2.gz WXBWJRMFSIDTEK-KBAYOESNSA-N 0 3 303.446 3.726 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000769497794 1023166011 /nfs/dbraw/zinc/16/60/11/1023166011.db2.gz BHULPBXEVHQXMB-RDJZCZTQSA-N 0 3 311.425 3.854 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000769497794 1023166017 /nfs/dbraw/zinc/16/60/17/1023166017.db2.gz BHULPBXEVHQXMB-RDJZCZTQSA-N 0 3 311.425 3.854 20 10 DHCDHN CCOc1cccc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000769504291 1023168983 /nfs/dbraw/zinc/16/89/83/1023168983.db2.gz SHHNOPCFZAIKNG-HXUWFJFHSA-N 0 3 311.425 3.955 20 10 DHCDHN CCOc1cccc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000769504291 1023168985 /nfs/dbraw/zinc/16/89/85/1023168985.db2.gz SHHNOPCFZAIKNG-HXUWFJFHSA-N 0 3 311.425 3.955 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000769502137 1023169055 /nfs/dbraw/zinc/16/90/55/1023169055.db2.gz UZPHAJZPQUBNGQ-UHFFFAOYSA-N 0 3 307.459 3.653 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000769502137 1023169058 /nfs/dbraw/zinc/16/90/58/1023169058.db2.gz UZPHAJZPQUBNGQ-UHFFFAOYSA-N 0 3 307.459 3.653 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000770508682 1023316808 /nfs/dbraw/zinc/31/68/08/1023316808.db2.gz DLVGJEWKRVPJGD-UHFFFAOYSA-N 0 3 305.381 3.558 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000770508682 1023316814 /nfs/dbraw/zinc/31/68/14/1023316814.db2.gz DLVGJEWKRVPJGD-UHFFFAOYSA-N 0 3 305.381 3.558 20 10 DHCDHN Cc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c([O-])c1 ZINC000876776162 1033140423 /nfs/dbraw/zinc/14/04/23/1033140423.db2.gz KRKUETYNESENRQ-UHFFFAOYSA-N 0 3 309.409 3.722 20 10 DHCDHN CO[C@H](CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000786949083 1023740621 /nfs/dbraw/zinc/74/06/21/1023740621.db2.gz IBRWXVIYNHEAJC-PTOFAABTSA-N 0 3 321.314 3.637 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccccc1[O-] ZINC000788260242 1023867170 /nfs/dbraw/zinc/86/71/70/1023867170.db2.gz XFJWBJQIRQSMQF-CVEARBPZSA-N 0 3 301.434 3.606 20 10 DHCDHN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000788621570 1023915420 /nfs/dbraw/zinc/91/54/20/1023915420.db2.gz MEVWDWPAEZZOJF-BKTGTZMESA-N 0 3 317.404 3.940 20 10 DHCDHN Cc1cc(C)c([C@@H](C)NCc2nn(C)c3ccccc23)c(O)c1 ZINC000788752362 1023929066 /nfs/dbraw/zinc/92/90/66/1023929066.db2.gz VMRKNYMGRRUNLR-CQSZACIVSA-N 0 3 309.413 3.747 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c([O-])c1 ZINC000876885199 1033175936 /nfs/dbraw/zinc/17/59/36/1033175936.db2.gz MWLUEKURQMRPCT-MRXNPFEDSA-N 0 3 316.470 3.689 20 10 DHCDHN Cc1ccc(C[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c([O-])c1 ZINC000876909974 1033180649 /nfs/dbraw/zinc/18/06/49/1033180649.db2.gz NZZJWRCXTIFYON-UHFFFAOYSA-N 0 3 312.413 3.585 20 10 DHCDHN CC(C)=CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000790698052 1024356887 /nfs/dbraw/zinc/35/68/87/1024356887.db2.gz MSQZKZOTGRSLGY-CQSZACIVSA-N 0 3 308.853 3.793 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c([O-])c1 ZINC000271210815 1024471287 /nfs/dbraw/zinc/47/12/87/1024471287.db2.gz YKNKNKHVBOUUFO-UHFFFAOYSA-N 0 3 319.445 3.574 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c([O-])c1 ZINC000271210815 1024471290 /nfs/dbraw/zinc/47/12/90/1024471290.db2.gz YKNKNKHVBOUUFO-UHFFFAOYSA-N 0 3 319.445 3.574 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C1CCCC1 ZINC000791459730 1024506507 /nfs/dbraw/zinc/50/65/07/1024506507.db2.gz UVYWHKQTNDGGKJ-HXUWFJFHSA-N 0 3 311.425 3.870 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1)C1CCCC1 ZINC000791459730 1024506511 /nfs/dbraw/zinc/50/65/11/1024506511.db2.gz UVYWHKQTNDGGKJ-HXUWFJFHSA-N 0 3 311.425 3.870 20 10 DHCDHN CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443306 1024506993 /nfs/dbraw/zinc/50/69/93/1024506993.db2.gz GVDLWOUNTKXBLE-RBUKOAKNSA-N 0 3 316.420 3.666 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271545147 1024535696 /nfs/dbraw/zinc/53/56/96/1024535696.db2.gz ZBFKENDSPDFYGU-KUHUBIRLSA-N 0 3 316.420 3.666 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796696193 1024635321 /nfs/dbraw/zinc/63/53/21/1024635321.db2.gz RWZUYMYNNQYSBD-WMLDXEAASA-N 0 3 308.441 3.694 20 10 DHCDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133713726 1024767637 /nfs/dbraw/zinc/76/76/37/1024767637.db2.gz BVSIHUKQWMVJOS-SCLBCKFNSA-N 0 3 314.477 3.905 20 10 DHCDHN Cc1cccc(O)c1CNCc1cccc(OC(C)(C)C)n1 ZINC000877127386 1033247287 /nfs/dbraw/zinc/24/72/87/1033247287.db2.gz GBXXTIACHQPKFV-UHFFFAOYSA-N 0 3 300.402 3.563 20 10 DHCDHN Oc1ccccc1CNCc1ccc(F)cc1Br ZINC000134227369 1025026491 /nfs/dbraw/zinc/02/64/91/1025026491.db2.gz QUMYCRJOBZIZHY-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(C)cc1[O-] ZINC000279923706 1025433893 /nfs/dbraw/zinc/43/38/93/1025433893.db2.gz AHUWXRBVYBNGRW-QGZVFWFLSA-N 0 3 309.413 3.632 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877337184 1033285646 /nfs/dbraw/zinc/28/56/46/1033285646.db2.gz RFYIDJALDBGNGD-MJGOQNOKSA-N 0 3 315.388 3.850 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132717 1025779699 /nfs/dbraw/zinc/77/96/99/1025779699.db2.gz YYYXNOGWZJCEAN-CJNGLKHVSA-N 0 3 310.869 3.818 20 10 DHCDHN C[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOC2(CCC2)C1 ZINC000886777014 1025898326 /nfs/dbraw/zinc/89/83/26/1025898326.db2.gz VXYVXQGKHLPAJI-CRAIPNDOSA-N 0 3 301.430 3.709 20 10 DHCDHN CCc1nc(C)c([C@@H](C)N(C)Cc2cccc(OC)c2O)s1 ZINC000093612540 1026118014 /nfs/dbraw/zinc/11/80/14/1026118014.db2.gz GRMNIIPNDUDYEG-GFCCVEGCSA-N 0 3 320.458 3.921 20 10 DHCDHN CCCOc1ccc(C[N@H+](CC)CCc2nccs2)c([O-])c1 ZINC000093764636 1026124349 /nfs/dbraw/zinc/12/43/49/1026124349.db2.gz HIWPVRYYQWSDBT-UHFFFAOYSA-N 0 3 320.458 3.702 20 10 DHCDHN CCCOc1ccc(C[N@@H+](CC)CCc2nccs2)c([O-])c1 ZINC000093764636 1026124358 /nfs/dbraw/zinc/12/43/58/1026124358.db2.gz HIWPVRYYQWSDBT-UHFFFAOYSA-N 0 3 320.458 3.702 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC001204931510 1026296823 /nfs/dbraw/zinc/29/68/23/1026296823.db2.gz YRSVOQQDGDAJBO-UHFFFAOYSA-N 0 3 303.352 3.878 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC001204931510 1026296833 /nfs/dbraw/zinc/29/68/33/1026296833.db2.gz YRSVOQQDGDAJBO-UHFFFAOYSA-N 0 3 303.352 3.878 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1[O-] ZINC000808679870 1026347775 /nfs/dbraw/zinc/34/77/75/1026347775.db2.gz CNTHUDWMHOERKM-MZPVMMEZSA-N 0 3 317.816 3.663 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)c1[O-] ZINC000808672621 1026354543 /nfs/dbraw/zinc/35/45/43/1026354543.db2.gz CSXPZVJDWPNWLV-CYBMUJFWSA-N 0 3 310.869 3.879 20 10 DHCDHN COc1ncccc1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808675820 1026354623 /nfs/dbraw/zinc/35/46/23/1026354623.db2.gz UFLNUGLAHGXQSG-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000808711006 1026359666 /nfs/dbraw/zinc/35/96/66/1026359666.db2.gz ZSAWVNWXQUPVNW-BHADISHBSA-N 0 3 321.848 3.962 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)c1[O-] ZINC000808709490 1026360784 /nfs/dbraw/zinc/36/07/84/1026360784.db2.gz WUJJFLNDDDFZPX-GFCCVEGCSA-N 0 3 319.836 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)NCc2cccc(N(C)C)n2)c1O ZINC000808709490 1026360795 /nfs/dbraw/zinc/36/07/95/1026360795.db2.gz WUJJFLNDDDFZPX-GFCCVEGCSA-N 0 3 319.836 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2ccsc2)c1[O-] ZINC000808715848 1026364929 /nfs/dbraw/zinc/36/49/29/1026364929.db2.gz XQZVSJZNQSNGPS-IINYFYTJSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)N[C@H](CO)c2ccsc2)c1O ZINC000808715848 1026364943 /nfs/dbraw/zinc/36/49/43/1026364943.db2.gz XQZVSJZNQSNGPS-IINYFYTJSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)c1[O-] ZINC000808715847 1026365354 /nfs/dbraw/zinc/36/53/54/1026365354.db2.gz XQZVSJZNQSNGPS-HZMBPMFUSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)N[C@@H](CO)c2ccsc2)c1O ZINC000808715847 1026365368 /nfs/dbraw/zinc/36/53/68/1026365368.db2.gz XQZVSJZNQSNGPS-HZMBPMFUSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn3ccccc23)c1[O-] ZINC000808718063 1026365811 /nfs/dbraw/zinc/36/58/11/1026365811.db2.gz KNQDLYYAWRVONO-GFCCVEGCSA-N 0 3 315.804 3.853 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)c([O-])c1 ZINC000809658467 1026584446 /nfs/dbraw/zinc/58/44/46/1026584446.db2.gz ODUPOPLXVPUURC-LBPRGKRZSA-N 0 3 321.367 3.790 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000280089888 1026586741 /nfs/dbraw/zinc/58/67/41/1026586741.db2.gz MHRIICNWWDHAIA-FUHWJXTLSA-N 0 3 303.377 3.614 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000809786846 1026625547 /nfs/dbraw/zinc/62/55/47/1026625547.db2.gz MPGQRFSGOKLBPQ-YVEFUNNKSA-N 0 3 305.805 3.566 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000810178739 1026699920 /nfs/dbraw/zinc/69/99/20/1026699920.db2.gz VLENRGKJDMNSDG-IBGZPJMESA-N 0 3 311.425 3.700 20 10 DHCDHN COc1cccc(CNCc2cscc2C(F)(F)F)c1O ZINC000811506909 1027023944 /nfs/dbraw/zinc/02/39/44/1027023944.db2.gz KEQNUMNKZQDEBX-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN COCC1(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCC1 ZINC000812829844 1027434725 /nfs/dbraw/zinc/43/47/25/1027434725.db2.gz NSASYDVMQQUEAR-UHFFFAOYSA-N 0 3 315.413 3.804 20 10 DHCDHN COCC1(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCC1 ZINC000812829844 1027434734 /nfs/dbraw/zinc/43/47/34/1027434734.db2.gz NSASYDVMQQUEAR-UHFFFAOYSA-N 0 3 315.413 3.804 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811481 1027439907 /nfs/dbraw/zinc/43/99/07/1027439907.db2.gz ACKAQQLBMTZZEJ-HOTGVXAUSA-N 0 3 301.430 3.851 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)c2cnn(CC)c2)cc1 ZINC000295824458 1027445839 /nfs/dbraw/zinc/44/58/39/1027445839.db2.gz CAGCVDFBMLQBKH-LSDHHAIUSA-N 0 3 300.450 3.771 20 10 DHCDHN COc1cc(C)cc(CN[C@H]2CSc3ccccc32)c1O ZINC000894280058 1027487392 /nfs/dbraw/zinc/48/73/92/1027487392.db2.gz GNCFGXBFNFMEAZ-AWEZNQCLSA-N 0 3 301.411 3.646 20 10 DHCDHN Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296152421 1027559773 /nfs/dbraw/zinc/55/97/73/1027559773.db2.gz WTQSAQFEGQEXMK-KRWDZBQOSA-N 0 3 321.424 3.718 20 10 DHCDHN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296633478 1027691703 /nfs/dbraw/zinc/69/17/03/1027691703.db2.gz BOENPXLERXLWAT-KBPBESRZSA-N 0 3 322.449 3.736 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1[O-] ZINC000364380892 1027816338 /nfs/dbraw/zinc/81/63/38/1027816338.db2.gz SLLXFDDIRKBGDH-WBVHZDCISA-N 0 3 313.445 3.768 20 10 DHCDHN COCCC1CC[NH+]([C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000527933805 1027993458 /nfs/dbraw/zinc/99/34/58/1027993458.db2.gz IGNJQVSQWYVTDS-IUODEOHRSA-N 0 3 307.409 3.828 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)c2c1c(F)ccc2[O-] ZINC000528004098 1028031862 /nfs/dbraw/zinc/03/18/62/1028031862.db2.gz VDEFZUAQBJEKND-XPKDYRNWSA-N 0 3 318.436 3.686 20 10 DHCDHN C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(F)ccc1[O-] ZINC000367705126 1028228356 /nfs/dbraw/zinc/22/83/56/1028228356.db2.gz GRNLMXSCWQFZMT-ZDUSSCGKSA-N 0 3 300.377 3.699 20 10 DHCDHN COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000368327882 1028335199 /nfs/dbraw/zinc/33/51/99/1028335199.db2.gz NFPXSAUQAXRWRP-NHYWBVRUSA-N 0 3 317.360 3.714 20 10 DHCDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c([O-])c1 ZINC000368523633 1028367074 /nfs/dbraw/zinc/36/70/74/1028367074.db2.gz VNCFYXSMJJGQGT-YOEHRIQHSA-N 0 3 312.413 3.612 20 10 DHCDHN CC[C@@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582694 1028554126 /nfs/dbraw/zinc/55/41/26/1028554126.db2.gz MXOFFTSHSZFCNY-PKOBYXMFSA-N 0 3 313.441 3.817 20 10 DHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cc[nH]c(=O)c1 ZINC000815643164 1028589587 /nfs/dbraw/zinc/58/95/87/1028589587.db2.gz VONGIPHOIDKXFS-NRUUGDAUSA-N 0 3 302.349 3.531 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cc[nH]c(=O)c1 ZINC000815643163 1028589976 /nfs/dbraw/zinc/58/99/76/1028589976.db2.gz VONGIPHOIDKXFS-GIPNMCIBSA-N 0 3 302.349 3.531 20 10 DHCDHN CCc1noc(C)c1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815641136 1028590240 /nfs/dbraw/zinc/59/02/40/1028590240.db2.gz QOAWFPGVHHYHIP-OTYXRUKQSA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1noc(C)c1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815641136 1028590253 /nfs/dbraw/zinc/59/02/53/1028590253.db2.gz QOAWFPGVHHYHIP-OTYXRUKQSA-N 0 3 304.365 3.728 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000815648463 1028593094 /nfs/dbraw/zinc/59/30/94/1028593094.db2.gz NFHSHISBRRNEIG-AEFFLSMTSA-N 0 3 305.462 3.930 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000370553194 1028617788 /nfs/dbraw/zinc/61/77/88/1028617788.db2.gz CAHPKHOCRZUOSA-WBVHZDCISA-N 0 3 324.424 3.867 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](n2nc(C)cc2C)C1 ZINC000372597181 1028874736 /nfs/dbraw/zinc/87/47/36/1028874736.db2.gz XUJIVPPEFIDESN-AEFFLSMTSA-N 0 3 313.445 3.994 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](n2nc(C)cc2C)C1 ZINC000372597181 1028874751 /nfs/dbraw/zinc/87/47/51/1028874751.db2.gz XUJIVPPEFIDESN-AEFFLSMTSA-N 0 3 313.445 3.994 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000372595040 1028876032 /nfs/dbraw/zinc/87/60/32/1028876032.db2.gz OVLKJTMUCCPYMP-HKUYNNGSSA-N 0 3 313.397 3.622 20 10 DHCDHN C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608979 1028960564 /nfs/dbraw/zinc/96/05/64/1028960564.db2.gz OWBKSGCEXYNDHD-YJBOKZPZSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608979 1028960580 /nfs/dbraw/zinc/96/05/80/1028960580.db2.gz OWBKSGCEXYNDHD-YJBOKZPZSA-N 0 3 310.441 3.604 20 10 DHCDHN CCCN(CCC)c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000816669209 1028991334 /nfs/dbraw/zinc/99/13/34/1028991334.db2.gz KKRLCHXCEUPYHE-UHFFFAOYSA-N 0 3 302.462 3.535 20 10 DHCDHN COC[C@@H](NCCc1ccc(N)cc1)c1cccc(Cl)c1F ZINC000817957406 1029296898 /nfs/dbraw/zinc/29/68/98/1029296898.db2.gz MBOJNVVFAAIKQT-MRXNPFEDSA-N 0 3 322.811 3.581 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1[O-] ZINC000817957101 1029298239 /nfs/dbraw/zinc/29/82/39/1029298239.db2.gz IZZMLWNLXNTUBI-GFCCVEGCSA-N 0 3 304.821 3.830 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000817975498 1029315269 /nfs/dbraw/zinc/31/52/69/1029315269.db2.gz VRHCBOQMYZGXDU-OALUTQOASA-N 0 3 310.441 3.628 20 10 DHCDHN CC[C@@H]([NH2+]CCCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983848 1029320944 /nfs/dbraw/zinc/32/09/44/1029320944.db2.gz JWJJIVOWSZAYBS-CYBMUJFWSA-N 0 3 317.260 3.882 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000529643707 1029479182 /nfs/dbraw/zinc/47/91/82/1029479182.db2.gz SYRGQOXYOAIUSQ-HYVNUMGLSA-N 0 3 303.764 3.613 20 10 DHCDHN CC(C)(C)OC(=O)c1ccccc1CNCc1ccccc1O ZINC000865729097 1029993986 /nfs/dbraw/zinc/99/39/86/1029993986.db2.gz DQUPAODYWXMTIL-UHFFFAOYSA-N 0 3 313.397 3.637 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2cc3cnccc3o2)c([O-])c1 ZINC000865853314 1030061008 /nfs/dbraw/zinc/06/10/08/1030061008.db2.gz FXKSEADSRFTCIH-GFCCVEGCSA-N 0 3 312.369 3.783 20 10 DHCDHN CCOc1cccc(CN[C@H](C)c2cc3cnccc3o2)c1O ZINC000865854651 1030062410 /nfs/dbraw/zinc/06/24/10/1030062410.db2.gz RJMALDJINAZTKV-GFCCVEGCSA-N 0 3 312.369 3.783 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000120965425 1030177831 /nfs/dbraw/zinc/17/78/31/1030177831.db2.gz SGEZHFXEXGMAGB-SFHVURJKSA-N 0 3 302.368 3.808 20 10 DHCDHN CC[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000866511653 1030339039 /nfs/dbraw/zinc/33/90/39/1030339039.db2.gz DWZWHCUOXIMNKG-VDZJLULYSA-N 0 3 303.446 3.947 20 10 DHCDHN C[C@@H](NCc1ccc(OC(F)F)cc1F)c1ccccc1O ZINC000866540865 1030362372 /nfs/dbraw/zinc/36/23/72/1030362372.db2.gz FKMIWVJDVKPWEW-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1[O-] ZINC000866540865 1030362384 /nfs/dbraw/zinc/36/23/84/1030362384.db2.gz FKMIWVJDVKPWEW-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1[O-] ZINC000824697098 1030603411 /nfs/dbraw/zinc/60/34/11/1030603411.db2.gz YUEZHTUDHNKSEU-MRXNPFEDSA-N 0 3 305.805 3.519 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](CO)c2ccccc2)c1[O-] ZINC000824697098 1030603416 /nfs/dbraw/zinc/60/34/16/1030603416.db2.gz YUEZHTUDHNKSEU-MRXNPFEDSA-N 0 3 305.805 3.519 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000824714270 1030619673 /nfs/dbraw/zinc/61/96/73/1030619673.db2.gz AVMXGGMDPNFONK-YPMHNXCESA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000824714270 1030619678 /nfs/dbraw/zinc/61/96/78/1030619678.db2.gz AVMXGGMDPNFONK-YPMHNXCESA-N 0 3 317.351 3.954 20 10 DHCDHN CCCn1nccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000824778230 1030632975 /nfs/dbraw/zinc/63/29/75/1030632975.db2.gz QQXCAHKDPLSOPU-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CCCn1nccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000824778230 1030632979 /nfs/dbraw/zinc/63/29/79/1030632979.db2.gz QQXCAHKDPLSOPU-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856240 1030653714 /nfs/dbraw/zinc/65/37/14/1030653714.db2.gz UKZTVLQZXCAQCB-BBRMVZONSA-N 0 3 310.869 3.516 20 10 DHCDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856240 1030653722 /nfs/dbraw/zinc/65/37/22/1030653722.db2.gz UKZTVLQZXCAQCB-BBRMVZONSA-N 0 3 310.869 3.516 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1[O-] ZINC000824954469 1030680494 /nfs/dbraw/zinc/68/04/94/1030680494.db2.gz QLMSNDNWIZJVEH-IEZWGBDMSA-N 0 3 312.413 3.748 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCC3)c([O-])c1 ZINC000926930621 1031003573 /nfs/dbraw/zinc/00/35/73/1031003573.db2.gz JBMDRMVVROKALD-LBPRGKRZSA-N 0 3 302.443 3.539 20 10 DHCDHN Cc1nc2c(cccc2CC[NH2+][C@H]2CCc3cccc([O-])c32)o1 ZINC000926973404 1031021650 /nfs/dbraw/zinc/02/16/50/1031021650.db2.gz CNAWKUQZTBBPLM-HNNXBMFYSA-N 0 3 308.381 3.661 20 10 DHCDHN CCCN(Cc1cc(OC(C)C)ccn1)Cc1ccccc1O ZINC000844301081 1031052657 /nfs/dbraw/zinc/05/26/57/1031052657.db2.gz PXIGHBDZKRQDNY-UHFFFAOYSA-N 0 3 314.429 3.987 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000927069810 1031070184 /nfs/dbraw/zinc/07/01/84/1031070184.db2.gz NEPACDTWBWZSPP-IEZWGBDMSA-N 0 3 303.446 3.947 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000927115162 1031101161 /nfs/dbraw/zinc/10/11/61/1031101161.db2.gz JEBLBGNYGXPXCQ-DJJJIMSYSA-N 0 3 315.388 3.886 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000844920640 1031401853 /nfs/dbraw/zinc/40/18/53/1031401853.db2.gz NKEGAGRHFXRDOF-FFSVYQOJSA-N 0 3 312.388 3.706 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000844920639 1031402096 /nfs/dbraw/zinc/40/20/96/1031402096.db2.gz NKEGAGRHFXRDOF-AXAPSJFSSA-N 0 3 312.388 3.706 20 10 DHCDHN CCc1cccc(CN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001144315740 1031467126 /nfs/dbraw/zinc/46/71/26/1031467126.db2.gz WWUDONSLLFCITK-UHFFFAOYSA-N 0 3 310.441 3.580 20 10 DHCDHN Cc1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000929296786 1031486894 /nfs/dbraw/zinc/48/68/94/1031486894.db2.gz RLULRTLYWISTKT-UHFFFAOYSA-N 0 3 300.450 3.503 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c([O-])c1 ZINC000872110910 1031503950 /nfs/dbraw/zinc/50/39/50/1031503950.db2.gz UDZIIHBNFUDFEW-SECBINFHSA-N 0 3 313.266 3.523 20 10 DHCDHN CC1CCC(OC2CC[NH+](Cc3ccccc3[O-])CC2)CC1 ZINC000360661883 1031510155 /nfs/dbraw/zinc/51/01/55/1031510155.db2.gz MEKYHLTUKGASAE-UHFFFAOYSA-N 0 3 303.446 3.952 20 10 DHCDHN C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1[O-] ZINC000293644206 1031553217 /nfs/dbraw/zinc/55/32/17/1031553217.db2.gz HHFSWWWTTKNGDX-NSHDSACASA-N 0 3 310.319 3.699 20 10 DHCDHN CCc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000929636115 1031562501 /nfs/dbraw/zinc/56/25/01/1031562501.db2.gz ROKVSOOPMOEDIM-UHFFFAOYSA-N 0 3 300.402 3.887 20 10 DHCDHN CCc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000929636115 1031562513 /nfs/dbraw/zinc/56/25/13/1031562513.db2.gz ROKVSOOPMOEDIM-UHFFFAOYSA-N 0 3 300.402 3.887 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c([O-])c1 ZINC000872261070 1031565219 /nfs/dbraw/zinc/56/52/19/1031565219.db2.gz ZBGDYXWLZOXSBF-QGZVFWFLSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c([O-])c1 ZINC000872261070 1031565224 /nfs/dbraw/zinc/56/52/24/1031565224.db2.gz ZBGDYXWLZOXSBF-QGZVFWFLSA-N 0 3 319.445 3.715 20 10 DHCDHN Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC000872815975 1031667717 /nfs/dbraw/zinc/66/77/17/1031667717.db2.gz FFTSONKLSVZAAV-WFASDCNBSA-N 0 3 317.351 3.551 20 10 DHCDHN COc1ccc(CNCc2cccc(C)c2)cc1Cn1cccn1 ZINC000873008189 1031690193 /nfs/dbraw/zinc/69/01/93/1031690193.db2.gz GVEAYGQSTLWKIG-UHFFFAOYSA-N 0 3 321.424 3.538 20 10 DHCDHN CCOc1cccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873184477 1031745672 /nfs/dbraw/zinc/74/56/72/1031745672.db2.gz QQTJABBPMVREEI-GFCCVEGCSA-N 0 3 316.357 3.550 20 10 DHCDHN CC[C@@H](OCC[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000846020680 1031808924 /nfs/dbraw/zinc/80/89/24/1031808924.db2.gz NBODHRPLEMMHAK-GOSISDBHSA-N 0 3 303.377 3.789 20 10 DHCDHN CC[C@H](NCc1cc(OC)c(OC)cc1O)c1ccccc1F ZINC000846046055 1031841772 /nfs/dbraw/zinc/84/17/72/1031841772.db2.gz UKSUNUYBOZUNBP-HNNXBMFYSA-N 0 3 319.376 3.789 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H](C)c2ccccc2OC)c1O ZINC000846135593 1031900803 /nfs/dbraw/zinc/90/08/03/1031900803.db2.gz DQAUNVCQCFMOFZ-QWHCGFSZSA-N 0 3 301.386 3.821 20 10 DHCDHN C[C@@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846207227 1031909671 /nfs/dbraw/zinc/90/96/71/1031909671.db2.gz MDHJHXAJNCPPCK-CRAIPNDOSA-N 0 3 321.424 3.760 20 10 DHCDHN Cc1cccc(CNCc2ccccc2Br)c1O ZINC000124751035 1031955147 /nfs/dbraw/zinc/95/51/47/1031955147.db2.gz YPCGYJOYMJXWSM-UHFFFAOYSA-N 0 3 306.203 3.753 20 10 DHCDHN CCCC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1[O-] ZINC000294534646 1032050060 /nfs/dbraw/zinc/05/00/60/1032050060.db2.gz DGVVRSMSXGZTHJ-UHFFFAOYSA-N 0 3 323.387 3.656 20 10 DHCDHN CCCC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1[O-] ZINC000294534646 1032050073 /nfs/dbraw/zinc/05/00/73/1032050073.db2.gz DGVVRSMSXGZTHJ-UHFFFAOYSA-N 0 3 323.387 3.656 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000877516611 1033331395 /nfs/dbraw/zinc/33/13/95/1033331395.db2.gz GYAPVKDWLIOIKB-AQNXPRMDSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000877516611 1033331401 /nfs/dbraw/zinc/33/14/01/1033331401.db2.gz GYAPVKDWLIOIKB-AQNXPRMDSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1cccc(O)c1CN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000877634466 1033392724 /nfs/dbraw/zinc/39/27/24/1033392724.db2.gz QAOANWIYNGOADC-SFHVURJKSA-N 0 3 313.397 3.647 20 10 DHCDHN C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172842033 1033413233 /nfs/dbraw/zinc/41/32/33/1033413233.db2.gz OIWTZPYETIZLKF-JTQLQIEISA-N 0 3 309.768 3.611 20 10 DHCDHN C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(O)c1[O-] ZINC001172851114 1033420885 /nfs/dbraw/zinc/42/08/85/1033420885.db2.gz FJEDHGYPSKJARC-SNVBAGLBSA-N 0 3 309.768 3.611 20 10 DHCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(Cl)c1OC ZINC000877756447 1033434512 /nfs/dbraw/zinc/43/45/12/1033434512.db2.gz JBRFVOHQYQSYEE-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN CC(C)n1ncc2cc(C[NH2+][C@H](C)c3ccccc3[O-])cnc21 ZINC000877756451 1033435314 /nfs/dbraw/zinc/43/53/14/1033435314.db2.gz JDKXWOLKOJTBAY-CYBMUJFWSA-N 0 3 310.401 3.569 20 10 DHCDHN Cc1cn2c(nc(C)c2C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000877756569 1033435427 /nfs/dbraw/zinc/43/54/27/1033435427.db2.gz STJVDVKMZSHCIK-LLVKDONJSA-N 0 3 301.415 3.569 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC1CC1 ZINC000877757985 1033435766 /nfs/dbraw/zinc/43/57/66/1033435766.db2.gz BNXYXTBJIVPJIK-ZDUSSCGKSA-N 0 3 313.397 3.793 20 10 DHCDHN COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877758193 1033435846 /nfs/dbraw/zinc/43/58/46/1033435846.db2.gz MDMAROUZCXAZDK-GJZGRUSLSA-N 0 3 315.413 3.657 20 10 DHCDHN Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757106 1033436017 /nfs/dbraw/zinc/43/60/17/1033436017.db2.gz GQSRVJYCIPUTEU-LBPRGKRZSA-N 0 3 301.434 3.811 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C)c(Cl)n2)c1 ZINC000878360170 1033672239 /nfs/dbraw/zinc/67/22/39/1033672239.db2.gz IIFIMMQJACUBHO-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN CN(C)c1ccc(CN2CCC(OC3CCCC3)CC2)cc1F ZINC000127099186 1033697809 /nfs/dbraw/zinc/69/78/09/1033697809.db2.gz PSGNEBIHQDGVID-UHFFFAOYSA-N 0 3 320.452 3.815 20 10 DHCDHN C[C@]1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCS1 ZINC000862212092 1033782032 /nfs/dbraw/zinc/78/20/32/1033782032.db2.gz GMNYWQMXVDUDSV-SJLPKXTDSA-N 0 3 321.486 3.659 20 10 DHCDHN C[C@]1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCS1 ZINC000862212092 1033782046 /nfs/dbraw/zinc/78/20/46/1033782046.db2.gz GMNYWQMXVDUDSV-SJLPKXTDSA-N 0 3 321.486 3.659 20 10 DHCDHN COc1cc(Cl)cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862442029 1033856079 /nfs/dbraw/zinc/85/60/79/1033856079.db2.gz GDIJTWZYQFOJLC-UWVGGRQHSA-N 0 3 319.779 3.777 20 10 DHCDHN COc1ccc([C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cc1F ZINC000862541382 1033882361 /nfs/dbraw/zinc/88/23/61/1033882361.db2.gz PVLXEBXCLVQLMQ-ZDUSSCGKSA-N 0 3 319.351 3.669 20 10 DHCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cc1F ZINC000862541382 1033882380 /nfs/dbraw/zinc/88/23/80/1033882380.db2.gz PVLXEBXCLVQLMQ-ZDUSSCGKSA-N 0 3 319.351 3.669 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC000879649654 1034072494 /nfs/dbraw/zinc/07/24/94/1034072494.db2.gz RTQKCVVDSJJASA-CHWSQXEVSA-N 0 3 316.376 3.518 20 10 DHCDHN CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651782 1034073340 /nfs/dbraw/zinc/07/33/40/1034073340.db2.gz KOHBIYANCFZDLT-KBPBESRZSA-N 0 3 312.413 3.632 20 10 DHCDHN Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652005 1034075420 /nfs/dbraw/zinc/07/54/20/1034075420.db2.gz SUVOHPCWUWBKIG-GJZGRUSLSA-N 0 3 312.413 3.687 20 10 DHCDHN C[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1ccccc1[O-] ZINC000879652388 1034075602 /nfs/dbraw/zinc/07/56/02/1034075602.db2.gz ZXIKPQOUSBAXFV-JTQLQIEISA-N 0 3 305.761 3.625 20 10 DHCDHN CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651020 1034075995 /nfs/dbraw/zinc/07/59/95/1034075995.db2.gz DVSRUVFQBWSXJZ-AWEZNQCLSA-N 0 3 312.413 3.805 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1[O-] ZINC000183413869 1034385931 /nfs/dbraw/zinc/38/59/31/1034385931.db2.gz YPSLKKVETJKBLQ-QGZVFWFLSA-N 0 3 324.468 3.750 20 10 DHCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183535055 1034397463 /nfs/dbraw/zinc/39/74/63/1034397463.db2.gz RXVFLERGFJHAAO-UONOGXRCSA-N 0 3 301.386 3.519 20 10 DHCDHN C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1[O-] ZINC000183604520 1034404897 /nfs/dbraw/zinc/40/48/97/1034404897.db2.gz FJPXQMFAUGYZIR-GFCCVEGCSA-N 0 3 302.443 3.621 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(C)cc1[O-] ZINC000794790311 1034463650 /nfs/dbraw/zinc/46/36/50/1034463650.db2.gz BSISATTWIUVMJH-INIZCTEOSA-N 0 3 313.397 3.713 20 10 DHCDHN CC[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794795792 1034468669 /nfs/dbraw/zinc/46/86/69/1034468669.db2.gz IVGGAHYFPJDRRN-CYBMUJFWSA-N 0 3 305.340 3.710 20 10 DHCDHN CCOc1ncccc1CN[C@@H](CC)c1ccc(C)cc1O ZINC000794798214 1034469975 /nfs/dbraw/zinc/46/99/75/1034469975.db2.gz UJOMGVKMJDSYIP-INIZCTEOSA-N 0 3 300.402 3.735 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000794797852 1034471037 /nfs/dbraw/zinc/47/10/37/1034471037.db2.gz QIUUPANSYYDWRQ-GOSISDBHSA-N 0 3 312.413 3.900 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794800886 1034472484 /nfs/dbraw/zinc/47/24/84/1034472484.db2.gz FEIOYOGAWLTZCY-HKUYNNGSSA-N 0 3 313.441 3.593 20 10 DHCDHN COc1cc(Cl)cc(CN(C)[C@H](C)c2ccncc2)c1O ZINC000184744954 1034499378 /nfs/dbraw/zinc/49/93/78/1034499378.db2.gz YSZUCKOHCDNIIS-LLVKDONJSA-N 0 3 306.793 3.642 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185009890 1034519351 /nfs/dbraw/zinc/51/93/51/1034519351.db2.gz LVHQQPCSFBGDRA-CQSZACIVSA-N 0 3 315.413 3.959 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000794815849 1034528027 /nfs/dbraw/zinc/52/80/27/1034528027.db2.gz PTMFGOAUFUWNCX-JSGCOSHPSA-N 0 3 305.340 3.709 20 10 DHCDHN CC[C@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794818500 1034536467 /nfs/dbraw/zinc/53/64/67/1034536467.db2.gz XFRXLJZKAOBEKE-HKUYNNGSSA-N 0 3 313.441 3.653 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(C)cc1[O-] ZINC000794829521 1034548731 /nfs/dbraw/zinc/54/87/31/1034548731.db2.gz TYEKQXRLDQAOJY-AEFFLSMTSA-N 0 3 302.462 3.758 20 10 DHCDHN C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185834807 1034577370 /nfs/dbraw/zinc/57/73/70/1034577370.db2.gz NNIZGKJCDQRVSZ-VBHSOAQHSA-N 0 3 303.377 3.694 20 10 DHCDHN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186075516 1034596214 /nfs/dbraw/zinc/59/62/14/1034596214.db2.gz YEEFJOQIKIHUHI-ZIAGYGMSSA-N 0 3 305.462 3.719 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000186518288 1034638794 /nfs/dbraw/zinc/63/87/94/1034638794.db2.gz UGACFSIQHDCTFH-QLFBSQMISA-N 0 3 320.452 3.835 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000194415171 1035138561 /nfs/dbraw/zinc/13/85/61/1035138561.db2.gz BPCJGZZYGNYUKI-CYBMUJFWSA-N 0 3 300.358 3.502 20 10 DHCDHN Cc1cc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)n[nH]1 ZINC001176484119 1035278347 /nfs/dbraw/zinc/27/83/47/1035278347.db2.gz ANQNPJKOKJTDFI-IBGZPJMESA-N 0 3 312.461 3.820 20 10 DHCDHN CCN(C)c1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000773817399 1035483409 /nfs/dbraw/zinc/48/34/09/1035483409.db2.gz JCNJAZOSHVLGCA-CQSZACIVSA-N 0 3 312.413 3.722 20 10 DHCDHN Cc1ccc(CNCc2nc3cccc(Cl)c3n2C)c(O)c1 ZINC001181008010 1035806679 /nfs/dbraw/zinc/80/66/79/1035806679.db2.gz OLCGMXVOZPGUQY-UHFFFAOYSA-N 0 3 315.804 3.531 20 10 DHCDHN c1ncc(-c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)o1 ZINC000906485361 1035985715 /nfs/dbraw/zinc/98/57/15/1035985715.db2.gz GPSQOGYIHRECDG-UHFFFAOYSA-N 0 3 320.392 3.956 20 10 DHCDHN COc1cccc2c1CN(Cc1ccc(N(C)C)cc1C)CC2 ZINC001181818168 1036000745 /nfs/dbraw/zinc/00/07/45/1036000745.db2.gz JKNMJCTWIKHAOQ-UHFFFAOYSA-N 0 3 310.441 3.628 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1[O-] ZINC000775723136 1036554239 /nfs/dbraw/zinc/55/42/39/1036554239.db2.gz DRESLUFHIKPKCN-UHFFFAOYSA-N 0 3 313.825 3.518 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1[O-] ZINC000775723136 1036554253 /nfs/dbraw/zinc/55/42/53/1036554253.db2.gz DRESLUFHIKPKCN-UHFFFAOYSA-N 0 3 313.825 3.518 20 10 DHCDHN CN(C)c1cc(F)c(CN2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1F ZINC001184056980 1036739206 /nfs/dbraw/zinc/73/92/06/1036739206.db2.gz UJTCWXIRGMMVNB-OUFKLWKOSA-N 0 3 320.427 3.899 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000152061777 1036836380 /nfs/dbraw/zinc/83/63/80/1036836380.db2.gz BOCJPIGFSFORBT-AWEZNQCLSA-N 0 3 312.413 3.722 20 10 DHCDHN COc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1C ZINC001201887952 1037921713 /nfs/dbraw/zinc/92/17/13/1037921713.db2.gz DTGHYVDGNIBHRQ-KRWDZBQOSA-N 0 3 313.445 3.948 20 10 DHCDHN [NH3+]Cc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522463 1038117813 /nfs/dbraw/zinc/11/78/13/1038117813.db2.gz RWQSGSRFARCCFB-UHFFFAOYSA-N 0 3 313.788 3.665 20 10 DHCDHN CC[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000775492166 1038562911 /nfs/dbraw/zinc/56/29/11/1038562911.db2.gz MRDQFQMLGUOKKI-NVXWUHKLSA-N 0 3 304.478 3.943 20 10 DHCDHN CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000775489616 1038564437 /nfs/dbraw/zinc/56/44/37/1038564437.db2.gz VVITXCSFNPFQCJ-QGZVFWFLSA-N 0 3 312.413 3.982 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1ccccc1[O-] ZINC000775490220 1038566113 /nfs/dbraw/zinc/56/61/13/1038566113.db2.gz AIQQNWZTWLRDPX-MRXNPFEDSA-N 0 3 315.413 3.693 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(C)cc2)c1[O-] ZINC000761184255 1040494162 /nfs/dbraw/zinc/49/41/62/1040494162.db2.gz VSFHTWNTJUYKCE-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C)cc2)c1[O-] ZINC000761184255 1040494173 /nfs/dbraw/zinc/49/41/73/1040494173.db2.gz VSFHTWNTJUYKCE-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2ccc(F)cc2)c1[O-] ZINC000761191845 1040559150 /nfs/dbraw/zinc/55/91/50/1040559150.db2.gz CMBPHOGJJHATRT-UHFFFAOYSA-N 0 3 323.795 3.868 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2ccc(F)cc2)c1[O-] ZINC000761191845 1040559163 /nfs/dbraw/zinc/55/91/63/1040559163.db2.gz CMBPHOGJJHATRT-UHFFFAOYSA-N 0 3 323.795 3.868 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+](C)Cc2cccc(C)c2)c1[O-] ZINC000761191374 1040561702 /nfs/dbraw/zinc/56/17/02/1040561702.db2.gz QXLIOVHIGMFRRH-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(C)c2)c1[O-] ZINC000761191374 1040561714 /nfs/dbraw/zinc/56/17/14/1040561714.db2.gz QXLIOVHIGMFRRH-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](SC)C(C)(C)C)c1[O-] ZINC000761217728 1040698576 /nfs/dbraw/zinc/69/85/76/1040698576.db2.gz XSERZIPFUOFAFM-CYBMUJFWSA-N 0 3 317.882 3.922 20 10 DHCDHN CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000761216826 1040683679 /nfs/dbraw/zinc/68/36/79/1040683679.db2.gz YDAJAFUSWSXSNP-PIGZYNQJSA-N 0 3 307.340 3.536 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2cccnc2)C2CC2)c1[O-] ZINC000761216601 1040689919 /nfs/dbraw/zinc/68/99/19/1040689919.db2.gz TVWNDZXXWRKPIB-INIZCTEOSA-N 0 3 318.804 3.690 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000272881233 130071000 /nfs/dbraw/zinc/07/10/00/130071000.db2.gz QNYWVCHVPKHJEL-GEWABHDNSA-N 0 3 321.367 3.833 20 10 DHCDHN CSC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000273348103 130109912 /nfs/dbraw/zinc/10/99/12/130109912.db2.gz BFDNBUJGEJYIJP-AWEZNQCLSA-N 0 3 309.475 3.572 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c([O-])c1C ZINC000273364237 130111067 /nfs/dbraw/zinc/11/10/67/130111067.db2.gz BADIDELUJKIMAX-SJLPKXTDSA-N 0 3 313.441 3.826 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c([O-])c1C ZINC000273401888 130117009 /nfs/dbraw/zinc/11/70/09/130117009.db2.gz NJDMZPKTBUIAGH-ZDUSSCGKSA-N 0 3 318.383 3.544 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(F)ccc1[O-] ZINC000273405867 130117095 /nfs/dbraw/zinc/11/70/95/130117095.db2.gz OIZICCNWZKPEHP-NHYWBVRUSA-N 0 3 308.422 3.546 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273555645 130136526 /nfs/dbraw/zinc/13/65/26/130136526.db2.gz GWQUKIZRGSJTGO-ZDUSSCGKSA-N 0 3 300.358 3.502 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273603171 130143083 /nfs/dbraw/zinc/14/30/83/130143083.db2.gz SLYMTLBYRZLBEH-HNNXBMFYSA-N 0 3 301.434 3.645 20 10 DHCDHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273620014 130145267 /nfs/dbraw/zinc/14/52/67/130145267.db2.gz YTDNLUGIOWKLEY-YNZWCRRESA-N 0 3 323.502 3.739 20 10 DHCDHN C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1[O-] ZINC000273992837 130195399 /nfs/dbraw/zinc/19/53/99/130195399.db2.gz MENIIJZCBHHKFI-XRTORIHISA-N 0 3 311.425 3.873 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccccc1[O-] ZINC000274874677 130268905 /nfs/dbraw/zinc/26/89/05/130268905.db2.gz GJDORPNELJBBIJ-HZPDHXFCSA-N 0 3 304.459 3.797 20 10 DHCDHN Cn1nccc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000274941095 130276121 /nfs/dbraw/zinc/27/61/21/130276121.db2.gz MSDBDFMGGMUJLQ-IBGZPJMESA-N 0 3 321.424 3.589 20 10 DHCDHN COc1ncc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000275049199 130287380 /nfs/dbraw/zinc/28/73/80/130287380.db2.gz ZWDTYTRKZPJHAJ-GFCCVEGCSA-N 0 3 319.836 3.660 20 10 DHCDHN Cc1cccc(CN[C@H](C)c2ccc(Br)cn2)c1O ZINC000279787001 130763247 /nfs/dbraw/zinc/76/32/47/130763247.db2.gz LYNVYIXIOJDQKO-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000284376191 131075235 /nfs/dbraw/zinc/07/52/35/131075235.db2.gz NZZKALLZVXNLMT-GFCCVEGCSA-N 0 3 321.371 3.600 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287232934 131270288 /nfs/dbraw/zinc/27/02/88/131270288.db2.gz YIEAZXCPILFGFY-QZTJIDSGSA-N 0 3 316.420 3.875 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000287641192 131292014 /nfs/dbraw/zinc/29/20/14/131292014.db2.gz UQBVSLBETXUULX-GRDNDAEWSA-N 0 3 303.446 3.594 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)c([O-])c1 ZINC000289254360 131369414 /nfs/dbraw/zinc/36/94/14/131369414.db2.gz FHVOCYZXQCFROK-UHFFFAOYSA-N 0 3 319.445 3.572 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCC3(CC(OCC)C3)C2)c([O-])c1 ZINC000289254360 131369415 /nfs/dbraw/zinc/36/94/15/131369415.db2.gz FHVOCYZXQCFROK-UHFFFAOYSA-N 0 3 319.445 3.572 20 10 DHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(N2CCCC2)n1 ZINC000289572090 131397345 /nfs/dbraw/zinc/39/73/45/131397345.db2.gz AZIKUCDRZWUREZ-OAHLLOKOSA-N 0 3 311.429 3.547 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1OCCc2sccc21 ZINC000291981528 131613771 /nfs/dbraw/zinc/61/37/71/131613771.db2.gz VKMCDWDRSLDPKI-JKDFXYPNSA-N 0 3 303.427 3.807 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1OCCc2sccc21 ZINC000297346482 132010998 /nfs/dbraw/zinc/01/09/98/132010998.db2.gz OXESGWDSUSCXPA-MIUNTBIASA-N 0 3 315.438 3.733 20 10 DHCDHN C[C@H](N[C@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473604 132017162 /nfs/dbraw/zinc/01/71/62/132017162.db2.gz YSRMJSHMOTYEFG-YOEHRIQHSA-N 0 3 319.408 3.916 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(-n2cccn2)c1 ZINC000297581163 132024389 /nfs/dbraw/zinc/02/43/89/132024389.db2.gz HDJVVQYYAQPUBP-KSSFIOAISA-N 0 3 319.408 3.916 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(-n2cccn2)c1 ZINC000297581151 132024464 /nfs/dbraw/zinc/02/44/64/132024464.db2.gz HDJVVQYYAQPUBP-KBXCAEBGSA-N 0 3 319.408 3.916 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(Br)cc1)CC2 ZINC000297872457 132038451 /nfs/dbraw/zinc/03/84/51/132038451.db2.gz UQODAKBNLSQTOD-CQSZACIVSA-N 0 3 318.214 3.932 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(OCC3CC3)nc2)c1 ZINC000185261805 333206468 /nfs/dbraw/zinc/20/64/68/333206468.db2.gz QKBQOZVPHFLHQU-CQSZACIVSA-N 0 3 312.413 3.735 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000185261805 333206469 /nfs/dbraw/zinc/20/64/69/333206469.db2.gz QKBQOZVPHFLHQU-CQSZACIVSA-N 0 3 312.413 3.735 20 10 DHCDHN COCc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])ccc1F ZINC000185495517 333209235 /nfs/dbraw/zinc/20/92/35/333209235.db2.gz IVLJRHPYDIZTTF-ZDUSSCGKSA-N 0 3 303.377 3.837 20 10 DHCDHN COCc1cc(CN[C@@H](C)c2cc(OC)ccc2O)ccc1F ZINC000185495591 333209308 /nfs/dbraw/zinc/20/93/08/333209308.db2.gz QNTAWFNXMLBYRI-LBPRGKRZSA-N 0 3 319.376 3.537 20 10 DHCDHN COCc1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])ccc1F ZINC000185495591 333209309 /nfs/dbraw/zinc/20/93/09/333209309.db2.gz QNTAWFNXMLBYRI-LBPRGKRZSA-N 0 3 319.376 3.537 20 10 DHCDHN Cc1c([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cnn1C ZINC000263646404 333946785 /nfs/dbraw/zinc/94/67/85/333946785.db2.gz BWVIWWIOCHOXQN-CQSZACIVSA-N 0 3 321.424 3.952 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464521 334047419 /nfs/dbraw/zinc/04/74/19/334047419.db2.gz IEUWGZNNKYQRIC-FUHWJXTLSA-N 0 3 301.361 3.541 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464617 334047428 /nfs/dbraw/zinc/04/74/28/334047428.db2.gz IHSWOBIPQUVIKQ-SJLPKXTDSA-N 0 3 319.351 3.680 20 10 DHCDHN COc1ccc(O)c(CN[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000295925046 334228546 /nfs/dbraw/zinc/22/85/46/334228546.db2.gz FGIANTKVXDEOKF-KRWDZBQOSA-N 0 3 319.351 3.846 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000367056901 335607524 /nfs/dbraw/zinc/60/75/24/335607524.db2.gz CVTODJYPRWSQQX-YOEHRIQHSA-N 0 3 312.413 3.612 20 10 DHCDHN COc1ccc([C@H](C)NCc2cc(C)ccc2O)c(OC)c1 ZINC000103855231 336242775 /nfs/dbraw/zinc/24/27/75/336242775.db2.gz KFDCMZUICLCMCU-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1[O-] ZINC000192927862 336284602 /nfs/dbraw/zinc/28/46/02/336284602.db2.gz VEUCCDHKVJVLNP-GOSISDBHSA-N 0 3 324.424 3.760 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000369516010 336866306 /nfs/dbraw/zinc/86/63/06/336866306.db2.gz BTZYSQBTBSRIKP-SFHVURJKSA-N 0 3 311.425 3.827 20 10 DHCDHN Cc1cccc(CN2CCC(C(=O)c3cccs3)CC2)c1O ZINC000375013358 337001575 /nfs/dbraw/zinc/00/15/75/337001575.db2.gz PXYHOVKZRQAHLY-UHFFFAOYSA-N 0 3 315.438 3.857 20 10 DHCDHN CC1CCN(c2ccc(CN[C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375854394 337021544 /nfs/dbraw/zinc/02/15/44/337021544.db2.gz TWOIDZSVRHPJMG-LJQANCHMSA-N 0 3 324.472 3.813 20 10 DHCDHN COc1cccc(C[NH2+]C2CC(c3ccccc3F)C2)c1[O-] ZINC000376740748 337040186 /nfs/dbraw/zinc/04/01/86/337040186.db2.gz YKCZGFQMQGNFBA-UHFFFAOYSA-N 0 3 301.361 3.576 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000377624218 337056710 /nfs/dbraw/zinc/05/67/10/337056710.db2.gz KLRJKGFPUHMXEH-SUNYJGFJSA-N 0 3 312.413 3.940 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000377624218 337056711 /nfs/dbraw/zinc/05/67/11/337056711.db2.gz KLRJKGFPUHMXEH-SUNYJGFJSA-N 0 3 312.413 3.940 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377631073 337056898 /nfs/dbraw/zinc/05/68/98/337056898.db2.gz SLSNMOQQJSVHPC-ZFWWWQNUSA-N 0 3 317.351 3.623 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377631073 337056899 /nfs/dbraw/zinc/05/68/99/337056899.db2.gz SLSNMOQQJSVHPC-ZFWWWQNUSA-N 0 3 317.351 3.623 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N(C)[C@H]2CCCc3cccnc32)c1 ZINC000377690675 337058629 /nfs/dbraw/zinc/05/86/29/337058629.db2.gz DMOVQCHGKMYQQO-DYVFJYSZSA-N 0 3 312.413 3.866 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1[O-] ZINC000360001966 337083678 /nfs/dbraw/zinc/08/36/78/337083678.db2.gz XCPHFAYWTZFIAX-AWEZNQCLSA-N 0 3 307.397 3.644 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1[O-] ZINC000183446461 337191764 /nfs/dbraw/zinc/19/17/64/337191764.db2.gz NODZMJQEZHSSFU-CYBMUJFWSA-N 0 3 311.360 3.568 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000186176055 337254195 /nfs/dbraw/zinc/25/41/95/337254195.db2.gz PCJAHJLJCNAIQF-DCGLDWPTSA-N 0 3 313.397 3.616 20 10 DHCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])OC)c1 ZINC000527924848 337775588 /nfs/dbraw/zinc/77/55/88/337775588.db2.gz ICZGROMNSGZSPP-XIKOKIGWSA-N 0 3 319.376 3.578 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000527929232 337776343 /nfs/dbraw/zinc/77/63/43/337776343.db2.gz PGKGPNSIJVALBF-LSDHHAIUSA-N 0 3 303.446 3.738 20 10 DHCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000191278914 521662280 /nfs/dbraw/zinc/66/22/80/521662280.db2.gz DUDFQUJBYJWCHE-UHFFFAOYSA-N 0 3 315.461 3.680 20 10 DHCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000191278914 521662282 /nfs/dbraw/zinc/66/22/82/521662282.db2.gz DUDFQUJBYJWCHE-UHFFFAOYSA-N 0 3 315.461 3.680 20 10 DHCDHN CCSc1cc(CNCc2cc(C)c(C)cc2O)ccn1 ZINC000189598485 521733958 /nfs/dbraw/zinc/73/39/58/521733958.db2.gz XIKSYOVQWLSVBV-UHFFFAOYSA-N 0 3 302.443 3.806 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000266269863 522637458 /nfs/dbraw/zinc/63/74/58/522637458.db2.gz BMYIFPDMCSPUGO-YJBOKZPZSA-N 0 3 321.367 3.581 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1[O-] ZINC000156230220 522813415 /nfs/dbraw/zinc/81/34/15/522813415.db2.gz CQXOPCLHXWTYIW-GOSISDBHSA-N 0 3 302.462 3.840 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000366418501 522853289 /nfs/dbraw/zinc/85/32/89/522853289.db2.gz NAZSBQYDJGJFIG-WMLDXEAASA-N 0 3 324.424 3.867 20 10 DHCDHN COc1ccc(N2CCC(N(C)Cc3ccc(C)o3)CC2)cc1 ZINC000367433502 524403343 /nfs/dbraw/zinc/40/33/43/524403343.db2.gz XVUQMXIRYBBIOD-UHFFFAOYSA-N 0 3 314.429 3.697 20 10 DHCDHN COc1ccc(O)c(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000180703301 524737401 /nfs/dbraw/zinc/73/74/01/524737401.db2.gz BAUIEJWHLZAWBY-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1ccc([O-])c(C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000180703301 524737412 /nfs/dbraw/zinc/73/74/12/524737412.db2.gz BAUIEJWHLZAWBY-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1ccc([O-])c(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000180703301 524737421 /nfs/dbraw/zinc/73/74/21/524737421.db2.gz BAUIEJWHLZAWBY-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN Cc1ccc(O)c(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000180285499 525339267 /nfs/dbraw/zinc/33/92/67/525339267.db2.gz FHPWJQBIYNZLLY-FPTDNZKUSA-N 0 3 317.454 3.631 20 10 DHCDHN C[C@H](NCCOCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000188758958 525357369 /nfs/dbraw/zinc/35/73/69/525357369.db2.gz URACGBSXXDDYCS-AWEZNQCLSA-N 0 3 312.404 3.609 20 10 DHCDHN C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000191186960 525395404 /nfs/dbraw/zinc/39/54/04/525395404.db2.gz HYAMVLCRDQPPLG-SNVBAGLBSA-N 0 3 312.404 3.630 20 10 DHCDHN C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000191186960 525395409 /nfs/dbraw/zinc/39/54/09/525395409.db2.gz HYAMVLCRDQPPLG-SNVBAGLBSA-N 0 3 312.404 3.630 20 10 DHCDHN C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(N(C)C)cc1 ZINC000131400415 525471839 /nfs/dbraw/zinc/47/18/39/525471839.db2.gz DBLZFATXZVQNTL-INIZCTEOSA-N 0 3 324.472 3.599 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000157503919 525525646 /nfs/dbraw/zinc/52/56/46/525525646.db2.gz ZJHFBCLLEKGAQL-MRXNPFEDSA-N 0 3 312.461 3.507 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183645265 525575124 /nfs/dbraw/zinc/57/51/24/525575124.db2.gz ZXMKSIFNKLWKRO-LIXBPZJASA-N 0 3 319.351 3.851 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CC1=CCCOC1)C1CCCCC1 ZINC000156781600 526371243 /nfs/dbraw/zinc/37/12/43/526371243.db2.gz DFSNJCZBTONRPX-UHFFFAOYSA-N 0 3 301.430 3.874 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CC1=CCCOC1)C1CCCCC1 ZINC000156781600 526371251 /nfs/dbraw/zinc/37/12/51/526371251.db2.gz DFSNJCZBTONRPX-UHFFFAOYSA-N 0 3 301.430 3.874 20 10 DHCDHN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(F)ccc1[O-])CCC2 ZINC000180148815 527111075 /nfs/dbraw/zinc/11/10/75/527111075.db2.gz ZGJYFEOGNHDJKO-CQSZACIVSA-N 0 3 306.406 3.806 20 10 DHCDHN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(F)ccc1[O-])CCC2 ZINC000180148815 527111079 /nfs/dbraw/zinc/11/10/79/527111079.db2.gz ZGJYFEOGNHDJKO-CQSZACIVSA-N 0 3 306.406 3.806 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280272614 535807920 /nfs/dbraw/zinc/80/79/20/535807920.db2.gz YAMXTIQYGNITLI-WCQYABFASA-N 0 3 305.340 3.709 20 10 DHCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000272905132 536934655 /nfs/dbraw/zinc/93/46/55/536934655.db2.gz VUUPGWRLLYIAIU-IQUTYRLHSA-N 0 3 315.413 3.828 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2SCCS2)c1[O-] ZINC000850561526 1021606351 /nfs/dbraw/zinc/60/63/51/1021606351.db2.gz OGFJPWPPUJRORN-VIFPVBQESA-N 0 3 303.880 3.811 20 10 DHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(F)cn1 ZINC000276330544 1014958893 /nfs/dbraw/zinc/95/88/93/1014958893.db2.gz GQVMTDIOHOAFNP-UHFFFAOYSA-N 0 3 301.409 3.697 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1[O-] ZINC000895580960 1015216534 /nfs/dbraw/zinc/21/65/34/1015216534.db2.gz JOODQHMSGQCWAM-JTQLQIEISA-N 0 3 324.833 3.500 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3nccs3)C2)c1[O-] ZINC000895580960 1015216538 /nfs/dbraw/zinc/21/65/38/1015216538.db2.gz JOODQHMSGQCWAM-JTQLQIEISA-N 0 3 324.833 3.500 20 10 DHCDHN COc1ccc(CN2CCc3ccccc3[C@@H]2C)c(O)c1OC ZINC000891950092 1015784725 /nfs/dbraw/zinc/78/47/25/1015784725.db2.gz FQWHXWIISYEGRG-ZDUSSCGKSA-N 0 3 313.397 3.529 20 10 DHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2CC2)c1[O-] ZINC000848518402 1016245258 /nfs/dbraw/zinc/24/52/58/1016245258.db2.gz KZSLBGVCEAPUKI-IUCAKERBSA-N 0 3 314.223 3.612 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c([O-])c1 ZINC000184835097 1016389365 /nfs/dbraw/zinc/38/93/65/1016389365.db2.gz IWAHDZNWYUXVQV-RDTXWAMCSA-N 0 3 316.420 3.793 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)c1ccc(F)cc1[O-] ZINC000796838668 1016418662 /nfs/dbraw/zinc/41/86/62/1016418662.db2.gz JJSKXZQANZYHBY-YJBOKZPZSA-N 0 3 322.468 3.940 20 10 DHCDHN CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])CC(C)C ZINC000184949612 1016463760 /nfs/dbraw/zinc/46/37/60/1016463760.db2.gz ZCFFGIVFVHJKDV-LSDHHAIUSA-N 0 3 322.449 3.512 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c([O-])c1 ZINC000185080005 1016546009 /nfs/dbraw/zinc/54/60/09/1016546009.db2.gz CICFSMUKIDNVMH-KSSFIOAISA-N 0 3 316.420 3.793 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(F)ccc1[O-] ZINC000185165638 1016693563 /nfs/dbraw/zinc/69/35/63/1016693563.db2.gz AANUWJBFZOXDGS-CYBMUJFWSA-N 0 3 311.360 3.568 20 10 DHCDHN COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185578912 1017028670 /nfs/dbraw/zinc/02/86/70/1017028670.db2.gz IVABUWGZUMLYNV-QWHCGFSZSA-N 0 3 319.376 3.658 20 10 DHCDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(N(C)C)cc1 ZINC000281360250 1012330850 /nfs/dbraw/zinc/33/08/50/1012330850.db2.gz WAMFKXCZQUFGTE-SFHVURJKSA-N 0 3 314.404 3.677 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC000716294593 1032693489 /nfs/dbraw/zinc/69/34/89/1032693489.db2.gz WCHXPTJJMFRVTQ-AEFFLSMTSA-N 0 3 310.441 3.626 20 10 DHCDHN COc1cccc(C2(NCc3ccc(N(C)C)cc3C)CC2)c1 ZINC000840935063 1017517773 /nfs/dbraw/zinc/51/77/73/1017517773.db2.gz DCBUFNGLGQFCCM-UHFFFAOYSA-N 0 3 310.441 3.849 20 10 DHCDHN C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000186001109 1017613410 /nfs/dbraw/zinc/61/34/10/1017613410.db2.gz ZSMKCDZKPGQRDJ-SNVBAGLBSA-N 0 3 311.303 3.539 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926917249 1032748202 /nfs/dbraw/zinc/74/82/02/1032748202.db2.gz SZZGXJYQIVALIJ-NURSFMCSSA-N 0 3 321.314 3.682 20 10 DHCDHN Cc1cc(O)c(CN2CCOC3(CCCC3)C2)cc1C(C)C ZINC000765103410 1018475265 /nfs/dbraw/zinc/47/52/65/1018475265.db2.gz OVIHSDMKFZHKKD-UHFFFAOYSA-N 0 3 303.446 3.969 20 10 DHCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCCC13CCCC3)OCO2 ZINC000320731532 1018495923 /nfs/dbraw/zinc/49/59/23/1018495923.db2.gz RZCCZZHDXLTLIV-KRWDZBQOSA-N 0 3 303.402 3.714 20 10 DHCDHN OCCC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921772823 1018803131 /nfs/dbraw/zinc/80/31/31/1018803131.db2.gz SMHHAMARLRJQNX-LJQANCHMSA-N 0 3 311.425 3.615 20 10 DHCDHN OCCC[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921772739 1018804470 /nfs/dbraw/zinc/80/44/70/1018804470.db2.gz SMHHAMARLRJQNX-IBGZPJMESA-N 0 3 311.425 3.615 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc(F)ccc1[O-] ZINC000278564810 1018834618 /nfs/dbraw/zinc/83/46/18/1018834618.db2.gz WXOVKRPRIUQPDL-GFCCVEGCSA-N 0 3 300.377 3.656 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cc(Cl)cc2c1OCC2 ZINC000922986211 1018964095 /nfs/dbraw/zinc/96/40/95/1018964095.db2.gz FBGYNAORCMSMOF-LLVKDONJSA-N 0 3 303.789 3.831 20 10 DHCDHN C[C@@H](NCc1ccccc1O)c1cc(Cl)cc2c1OCC2 ZINC000922986211 1018964109 /nfs/dbraw/zinc/96/41/09/1018964109.db2.gz FBGYNAORCMSMOF-LLVKDONJSA-N 0 3 303.789 3.831 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2c(C)nn(CC)c2C)cc1 ZINC000765661262 1019033321 /nfs/dbraw/zinc/03/33/21/1019033321.db2.gz XXURUMGUHBTTKD-AWEZNQCLSA-N 0 3 314.477 3.827 20 10 DHCDHN COc1ccc(CNCc2cc(C)ccc2O)c(Cl)c1OC ZINC000858237037 1032810720 /nfs/dbraw/zinc/81/07/20/1032810720.db2.gz DCDGHFSCYJSGAT-UHFFFAOYSA-N 0 3 321.804 3.661 20 10 DHCDHN COc1cc(O)c(CN(C)Cc2ccc(Cl)cc2)cc1OC ZINC000158833982 1019396452 /nfs/dbraw/zinc/39/64/52/1019396452.db2.gz TYOOBKQSPUJXSN-UHFFFAOYSA-N 0 3 321.804 3.695 20 10 DHCDHN CCc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000765991283 1020101569 /nfs/dbraw/zinc/10/15/69/1020101569.db2.gz CSCFUWPVBJHIQQ-OAHLLOKOSA-N 0 3 312.461 3.813 20 10 DHCDHN CCc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000765991283 1020101577 /nfs/dbraw/zinc/10/15/77/1020101577.db2.gz CSCFUWPVBJHIQQ-OAHLLOKOSA-N 0 3 312.461 3.813 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000922537475 1020118918 /nfs/dbraw/zinc/11/89/18/1020118918.db2.gz GSYPIUITOSHGRH-GFCCVEGCSA-N 0 3 316.357 3.550 20 10 DHCDHN Cc1cc(C)n(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000731848322 1020156422 /nfs/dbraw/zinc/15/64/22/1020156422.db2.gz VTRVTPXADLDMRO-UHFFFAOYSA-N 0 3 313.445 3.650 20 10 DHCDHN Cc1cc(C)n(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000731848322 1020156427 /nfs/dbraw/zinc/15/64/27/1020156427.db2.gz VTRVTPXADLDMRO-UHFFFAOYSA-N 0 3 313.445 3.650 20 10 DHCDHN Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264229840 1032881945 /nfs/dbraw/zinc/88/19/45/1032881945.db2.gz AIBDQCTYHNADKL-CQSZACIVSA-N 0 3 321.424 3.952 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000186264304 1020194496 /nfs/dbraw/zinc/19/44/96/1020194496.db2.gz GSHFFPJGRKQGNO-DZGCQCFKSA-N 0 3 322.449 3.736 20 10 DHCDHN CC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000732184566 1020208559 /nfs/dbraw/zinc/20/85/59/1020208559.db2.gz CVYLSJNXLGARSK-GOEBONIOSA-N 0 3 305.462 3.997 20 10 DHCDHN CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CCO2 ZINC000186694282 1020399841 /nfs/dbraw/zinc/39/98/41/1020399841.db2.gz YKQSNVBLFIAMIE-DYVFJYSZSA-N 0 3 313.397 3.965 20 10 DHCDHN Cc1cc(CNCc2ccc(N(C)C)cc2)c2c(n1)CCCC2 ZINC000892475483 1020427899 /nfs/dbraw/zinc/42/78/99/1020427899.db2.gz JHSAKLCMOKSBIX-UHFFFAOYSA-N 0 3 309.457 3.625 20 10 DHCDHN Cc1nc(C)c([C@@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000766030908 1020496030 /nfs/dbraw/zinc/49/60/30/1020496030.db2.gz XSTCABSRSPHQPU-GFCCVEGCSA-N 0 3 303.475 3.985 20 10 DHCDHN COc1cc(Cl)cc(CN2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000877811979 1033458827 /nfs/dbraw/zinc/45/88/27/1033458827.db2.gz DKDODSROOZDBEA-ZDUSSCGKSA-N 0 3 323.742 3.829 20 10 DHCDHN CCOc1ccc(CN[C@@](C)(CC)c2nc(C)cs2)c(O)c1 ZINC000742374319 1021114082 /nfs/dbraw/zinc/11/40/82/1021114082.db2.gz VEQQFMYJPOZOFV-KRWDZBQOSA-N 0 3 320.458 3.971 20 10 DHCDHN CCOc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3C)c([O-])c1 ZINC000742374126 1021114251 /nfs/dbraw/zinc/11/42/51/1021114251.db2.gz ZIGXTQQMEOKSQT-UHFFFAOYSA-N 0 3 324.424 3.913 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368339 1021489994 /nfs/dbraw/zinc/48/99/94/1021489994.db2.gz BUGUSFJORTYQEI-VQTJNVASSA-N 0 3 310.441 3.801 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367467 1021490372 /nfs/dbraw/zinc/49/03/72/1021490372.db2.gz JWOZZSMVCJOIIN-SFHVURJKSA-N 0 3 309.409 3.860 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000850388877 1021505694 /nfs/dbraw/zinc/50/56/94/1021505694.db2.gz QVKDLLBKCAQPFS-IAGOWNOFSA-N 0 3 319.445 3.617 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1CCC(O)CC1 ZINC000850395024 1021507660 /nfs/dbraw/zinc/50/76/60/1021507660.db2.gz LXKJTLNMNPACRU-UHFFFAOYSA-N 0 3 311.425 3.700 20 10 DHCDHN COc1cccc(OC)c1CN[C@@H](C)c1ccc(C)cc1O ZINC000850505851 1021565862 /nfs/dbraw/zinc/56/58/62/1021565862.db2.gz ZNSDXRAWFHDMMQ-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850507732 1021566365 /nfs/dbraw/zinc/56/63/65/1021566365.db2.gz KNJPRPIDROCUJC-GXSJLCMTSA-N 0 3 312.207 3.533 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000850505065 1021566508 /nfs/dbraw/zinc/56/65/08/1021566508.db2.gz LZLFXKWLFSIIEE-XHDPSFHLSA-N 0 3 317.351 3.933 20 10 DHCDHN CC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(C)cc1[O-] ZINC000850551469 1021599877 /nfs/dbraw/zinc/59/98/77/1021599877.db2.gz SAESBWGXJOVTCL-QGZVFWFLSA-N 0 3 313.445 3.943 20 10 DHCDHN CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000850553654 1021600590 /nfs/dbraw/zinc/60/05/90/1021600590.db2.gz AANYIQUINAAYER-FASAQXTFSA-N 0 3 317.404 3.940 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2[O-] ZINC000850569743 1021613268 /nfs/dbraw/zinc/61/32/68/1021613268.db2.gz ALEHUIDVSZDSPZ-GXSJLCMTSA-N 0 3 313.463 3.865 20 10 DHCDHN Cc1noc(C)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797463 1021749935 /nfs/dbraw/zinc/74/99/35/1021749935.db2.gz AIXGJXQKPWMSMN-UHFFFAOYSA-N 0 3 300.402 3.942 20 10 DHCDHN Cc1noc(C)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797463 1021749947 /nfs/dbraw/zinc/74/99/47/1021749947.db2.gz AIXGJXQKPWMSMN-UHFFFAOYSA-N 0 3 300.402 3.942 20 10 DHCDHN CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000155052151 1021846715 /nfs/dbraw/zinc/84/67/15/1021846715.db2.gz NQMFXWBLSQSWRB-IBGZPJMESA-N 0 3 321.424 3.861 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000070976153 1021997850 /nfs/dbraw/zinc/99/78/50/1021997850.db2.gz GXRDQLUDFPVHCQ-GOSISDBHSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000070976153 1021997857 /nfs/dbraw/zinc/99/78/57/1021997857.db2.gz GXRDQLUDFPVHCQ-GOSISDBHSA-N 0 3 315.388 3.713 20 10 DHCDHN C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1[O-] ZINC000183414776 1022137252 /nfs/dbraw/zinc/13/72/52/1022137252.db2.gz YBPMOLZCQPTEET-INIZCTEOSA-N 0 3 311.425 3.791 20 10 DHCDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000180505202 1022144557 /nfs/dbraw/zinc/14/45/57/1022144557.db2.gz ZNZLSXZZLZRQPS-HNNXBMFYSA-N 0 3 312.461 3.805 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000183514016 1022166666 /nfs/dbraw/zinc/16/66/66/1022166666.db2.gz OYOBNHCKXFHXME-AEFFLSMTSA-N 0 3 310.441 3.707 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000183632412 1022217601 /nfs/dbraw/zinc/21/76/01/1022217601.db2.gz CGRMPTNELBODLR-CABCVRRESA-N 0 3 314.404 3.851 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241913 1022241374 /nfs/dbraw/zinc/24/13/74/1022241374.db2.gz YSFTWMVCEBYGTK-YJBOKZPZSA-N 0 3 320.452 3.694 20 10 DHCDHN C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccccc1[O-] ZINC000183725068 1022327213 /nfs/dbraw/zinc/32/72/13/1022327213.db2.gz YLYQCKFFZJVXOH-CQSZACIVSA-N 0 3 307.397 3.644 20 10 DHCDHN Cc1ccc(O)c([C@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861440 1022347945 /nfs/dbraw/zinc/34/79/45/1022347945.db2.gz WQYVPQZOCQBKFO-YWZLYKJASA-N 0 3 321.424 3.874 20 10 DHCDHN COc1ccc(O)c(CN2CCSC[C@H]2c2ccccc2)c1 ZINC000179672263 1022500374 /nfs/dbraw/zinc/50/03/74/1022500374.db2.gz OQETYPHCCZGEAL-KRWDZBQOSA-N 0 3 315.438 3.691 20 10 DHCDHN CCC[N@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccccc1[O-] ZINC000179929540 1022589353 /nfs/dbraw/zinc/58/93/53/1022589353.db2.gz LEIONLUODRENLI-UHFFFAOYSA-N 0 3 315.461 3.835 20 10 DHCDHN CCC[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccccc1[O-] ZINC000179929540 1022589361 /nfs/dbraw/zinc/58/93/61/1022589361.db2.gz LEIONLUODRENLI-UHFFFAOYSA-N 0 3 315.461 3.835 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000238098691 1022685384 /nfs/dbraw/zinc/68/53/84/1022685384.db2.gz LDHNSPAJVIKJSG-FQEVSTJZSA-N 0 3 311.425 3.966 20 10 DHCDHN Cc1cccc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1O ZINC000180396225 1022719176 /nfs/dbraw/zinc/71/91/76/1022719176.db2.gz XVJGFOMCFXYUBV-KSSFIOAISA-N 0 3 315.388 3.802 20 10 DHCDHN Cc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c([O-])c1 ZINC000876554294 1033088389 /nfs/dbraw/zinc/08/83/89/1033088389.db2.gz JDDKHHYPGWURMJ-UHFFFAOYSA-N 0 3 311.425 3.882 20 10 DHCDHN COCCN(Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768159899 1022907633 /nfs/dbraw/zinc/90/76/33/1022907633.db2.gz HJYBAHADPRLZBH-UHFFFAOYSA-N 0 3 316.420 3.540 20 10 DHCDHN COc1cccc(O)c1CN(C)CCOc1ccc(Cl)cc1 ZINC000768175731 1022912850 /nfs/dbraw/zinc/91/28/50/1022912850.db2.gz UUGOVRGCGBNOMV-UHFFFAOYSA-N 0 3 321.804 3.565 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000768175731 1022912858 /nfs/dbraw/zinc/91/28/58/1022912858.db2.gz UUGOVRGCGBNOMV-UHFFFAOYSA-N 0 3 321.804 3.565 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000768175731 1022912861 /nfs/dbraw/zinc/91/28/61/1022912861.db2.gz UUGOVRGCGBNOMV-UHFFFAOYSA-N 0 3 321.804 3.565 20 10 DHCDHN CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756552718 1022918493 /nfs/dbraw/zinc/91/84/93/1022918493.db2.gz GXMMSZVXEKYRIN-ZDUSSCGKSA-N 0 3 302.393 3.838 20 10 DHCDHN CCN1CCC([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768232510 1022929878 /nfs/dbraw/zinc/92/98/78/1022929878.db2.gz CRLASCNCORVTRW-UHFFFAOYSA-N 0 3 324.468 3.975 20 10 DHCDHN CCN1CCC([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768232510 1022929889 /nfs/dbraw/zinc/92/98/89/1022929889.db2.gz CRLASCNCORVTRW-UHFFFAOYSA-N 0 3 324.468 3.975 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000768329878 1022948295 /nfs/dbraw/zinc/94/82/95/1022948295.db2.gz IWNQEQFFOVTZPP-MRXNPFEDSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000768329878 1022948303 /nfs/dbraw/zinc/94/83/03/1022948303.db2.gz IWNQEQFFOVTZPP-MRXNPFEDSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000768329886 1022948675 /nfs/dbraw/zinc/94/86/75/1022948675.db2.gz JTHWISSNDZLYGT-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000768329886 1022948683 /nfs/dbraw/zinc/94/86/83/1022948683.db2.gz JTHWISSNDZLYGT-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN COc1cccc(O)c1CN(Cc1cccc(F)c1)C(C)C ZINC000768329886 1022948695 /nfs/dbraw/zinc/94/86/95/1022948695.db2.gz JTHWISSNDZLYGT-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN CCC[N@H+](Cc1ccc(F)cc1)Cc1c([O-])cccc1OC ZINC000768471277 1022976215 /nfs/dbraw/zinc/97/62/15/1022976215.db2.gz MBJSKVICTFVZPU-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN CCC[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])cccc1OC ZINC000768471277 1022976217 /nfs/dbraw/zinc/97/62/17/1022976217.db2.gz MBJSKVICTFVZPU-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1ccccc1Br)CC2 ZINC000297712849 1023023299 /nfs/dbraw/zinc/02/32/99/1023023299.db2.gz MWMHWQJVDNJRSC-AWEZNQCLSA-N 0 3 318.214 3.932 20 10 DHCDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768912641 1023054994 /nfs/dbraw/zinc/05/49/94/1023054994.db2.gz ATNOTDBFHWAYCJ-CPUCHLNUSA-N 0 3 322.880 3.883 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000769339373 1023129445 /nfs/dbraw/zinc/12/94/45/1023129445.db2.gz WCXAIZRNBAMKCE-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000769339373 1023129451 /nfs/dbraw/zinc/12/94/51/1023129451.db2.gz WCXAIZRNBAMKCE-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756606105 1023158636 /nfs/dbraw/zinc/15/86/36/1023158636.db2.gz BEQRJHUVOITANT-ZIAGYGMSSA-N 0 3 303.377 3.958 20 10 DHCDHN Cc1ccc(O)c(CN2C[C@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769476205 1023165190 /nfs/dbraw/zinc/16/51/90/1023165190.db2.gz XGPFVDWQJAFVCE-OXQOHEQNSA-N 0 3 311.425 3.971 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769513564 1023172431 /nfs/dbraw/zinc/17/24/31/1023172431.db2.gz BQWFNCJLJWPRGI-RBUKOAKNSA-N 0 3 323.436 3.918 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769513564 1023172435 /nfs/dbraw/zinc/17/24/35/1023172435.db2.gz BQWFNCJLJWPRGI-RBUKOAKNSA-N 0 3 323.436 3.918 20 10 DHCDHN c1cc(N2CCCCC2)ccc1CN1CCOCC12CCCC2 ZINC000769534730 1023176244 /nfs/dbraw/zinc/17/62/44/1023176244.db2.gz YVTIZDXRGNGHJP-UHFFFAOYSA-N 0 3 314.473 3.822 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C23CCC3)c([O-])c1 ZINC000770352458 1023304209 /nfs/dbraw/zinc/30/42/09/1023304209.db2.gz NWRKERXYBLFSIP-ZWKOTPCHSA-N 0 3 319.445 3.570 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OCC)C23CCC3)c([O-])c1 ZINC000770352458 1023304211 /nfs/dbraw/zinc/30/42/11/1023304211.db2.gz NWRKERXYBLFSIP-ZWKOTPCHSA-N 0 3 319.445 3.570 20 10 DHCDHN Cc1ccc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876795597 1033144744 /nfs/dbraw/zinc/14/47/44/1033144744.db2.gz ROEFLMMHCZHDEU-PEBXRYMYSA-N 0 3 317.454 3.631 20 10 DHCDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000194549322 1024007607 /nfs/dbraw/zinc/00/76/07/1024007607.db2.gz HZZONNZKBIMFQJ-OAHLLOKOSA-N 0 3 309.768 3.662 20 10 DHCDHN CC[NH2+]CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000129898733 1024105162 /nfs/dbraw/zinc/10/51/62/1024105162.db2.gz GIFOIEIYQNMPMK-UHFFFAOYSA-N 0 3 317.260 3.521 20 10 DHCDHN Cc1c(CN(C)Cc2cc(C)cc(C(C)(C)C)c2O)cnn1C ZINC000790416647 1024298601 /nfs/dbraw/zinc/29/86/01/1024298601.db2.gz AFMFEEXOKOLGGS-UHFFFAOYSA-N 0 3 315.461 3.672 20 10 DHCDHN Cc1ccc(-c2nc(CC[NH2+]Cc3ccc(C)cc3[O-])co2)cc1 ZINC000876996145 1033201454 /nfs/dbraw/zinc/20/14/54/1033201454.db2.gz QBJBAXCHPQWWII-UHFFFAOYSA-N 0 3 322.408 3.996 20 10 DHCDHN Cc1ccc(-c2nc(CC[NH2+]Cc3c(C)cccc3[O-])co2)cc1 ZINC000876996310 1033201907 /nfs/dbraw/zinc/20/19/07/1033201907.db2.gz RXKCICLZJJLUFX-UHFFFAOYSA-N 0 3 322.408 3.996 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000796935706 1024347340 /nfs/dbraw/zinc/34/73/40/1024347340.db2.gz IGHVRBXJELRSQW-RHSMWYFYSA-N 0 3 308.441 3.837 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000270648022 1024411792 /nfs/dbraw/zinc/41/17/92/1024411792.db2.gz LCOOTJZQIVRAPV-QAPCUYQASA-N 0 3 321.461 3.864 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796696191 1024635063 /nfs/dbraw/zinc/63/50/63/1024635063.db2.gz RWZUYMYNNQYSBD-RHSMWYFYSA-N 0 3 308.441 3.694 20 10 DHCDHN CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133714157 1024768090 /nfs/dbraw/zinc/76/80/90/1024768090.db2.gz BVSIHUKQWMVJOS-FZKQIMNGSA-N 0 3 314.477 3.905 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000877116643 1033244544 /nfs/dbraw/zinc/24/45/44/1033244544.db2.gz SDHHCRLPNJKPRR-GOSISDBHSA-N 0 3 313.441 3.593 20 10 DHCDHN COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000747100430 1024887777 /nfs/dbraw/zinc/88/77/77/1024887777.db2.gz ZCMYZCKQXGPHSB-UONOGXRCSA-N 0 3 315.413 3.691 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279609486 1025092306 /nfs/dbraw/zinc/09/23/06/1025092306.db2.gz XFCPLPZUPKYPBW-WBVHZDCISA-N 0 3 323.795 3.959 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000806180967 1025836393 /nfs/dbraw/zinc/83/63/93/1025836393.db2.gz UNHISIHBSRWCCA-UKRRQHHQSA-N 0 3 319.832 3.781 20 10 DHCDHN Cc1c(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cnn1C ZINC000090887916 1026089711 /nfs/dbraw/zinc/08/97/11/1026089711.db2.gz OGICQWSZSDWYKV-OAHLLOKOSA-N 0 3 312.461 3.570 20 10 DHCDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000289743011 1026153225 /nfs/dbraw/zinc/15/32/25/1026153225.db2.gz KRBJCHDUIOWOSB-HBFSDRIKSA-N 0 3 311.425 3.599 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1[O-] ZINC000808682834 1026347576 /nfs/dbraw/zinc/34/75/76/1026347576.db2.gz WUOGXVVSVYCNFV-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000808674158 1026353747 /nfs/dbraw/zinc/35/37/47/1026353747.db2.gz OCBGGEGGHJCLQH-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1[O-] ZINC000808678043 1026355113 /nfs/dbraw/zinc/35/51/13/1026355113.db2.gz IXYZJYBYURRDAM-KGLIPLIRSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2ccccc2)c1[O-] ZINC000808703016 1026356734 /nfs/dbraw/zinc/35/67/34/1026356734.db2.gz RDVKVBIDRFTVKL-LRDDRELGSA-N 0 3 305.805 3.738 20 10 DHCDHN CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808709439 1026360287 /nfs/dbraw/zinc/36/02/87/1026360287.db2.gz BDSJCDCJYVHRRH-KWQFWETISA-N 0 3 311.731 3.582 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c1[O-] ZINC000808707723 1026361238 /nfs/dbraw/zinc/36/12/38/1026361238.db2.gz WTFIMXZSOUCTLN-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)N[C@@H](CO)c2cccc(F)c2)c1O ZINC000808707723 1026361245 /nfs/dbraw/zinc/36/12/45/1026361245.db2.gz WTFIMXZSOUCTLN-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c1[O-] ZINC000808718174 1026366163 /nfs/dbraw/zinc/36/61/63/1026366163.db2.gz QCFWXHVNDAAXMJ-GFCCVEGCSA-N 0 3 319.836 3.738 20 10 DHCDHN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])o1 ZINC000808699153 1026376509 /nfs/dbraw/zinc/37/65/09/1026376509.db2.gz UKSKLSBREDLSTA-SMDDNHRTSA-N 0 3 309.793 3.640 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280099231 1026592296 /nfs/dbraw/zinc/59/22/96/1026592296.db2.gz MYTMSLWYHQGEJK-HKUYNNGSSA-N 0 3 313.441 3.908 20 10 DHCDHN C[C@@H](C[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000809773845 1026607784 /nfs/dbraw/zinc/60/77/84/1026607784.db2.gz ALXABLJTSXLPCX-GJZGRUSLSA-N 0 3 317.404 3.518 20 10 DHCDHN C[C@@H](C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000809773845 1026607786 /nfs/dbraw/zinc/60/77/86/1026607786.db2.gz ALXABLJTSXLPCX-GJZGRUSLSA-N 0 3 317.404 3.518 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758142 1026618313 /nfs/dbraw/zinc/61/83/13/1026618313.db2.gz DTTADWBHXQZOKO-HUUCEWRRSA-N 0 3 323.864 3.993 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758142 1026618316 /nfs/dbraw/zinc/61/83/16/1026618316.db2.gz DTTADWBHXQZOKO-HUUCEWRRSA-N 0 3 323.864 3.993 20 10 DHCDHN COc1cccc(CN2Cc3ccccc3OC(C)(C)C2)c1O ZINC000809789768 1026627613 /nfs/dbraw/zinc/62/76/13/1026627613.db2.gz DUWGZSVWSXAQON-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1[O-] ZINC000809792358 1026629308 /nfs/dbraw/zinc/62/93/08/1026629308.db2.gz SORCJAMOHMVBES-HNNXBMFYSA-N 0 3 321.779 3.586 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(C)cc1[O-] ZINC000280276105 1026630810 /nfs/dbraw/zinc/63/08/10/1026630810.db2.gz YDUZBDOISCCHTK-QILLFSRXSA-N 0 3 321.486 3.796 20 10 DHCDHN CN(Cc1cc(O)cc(C(F)(F)F)c1)Cc1ccccc1O ZINC000811458138 1027005983 /nfs/dbraw/zinc/00/59/83/1027005983.db2.gz UHHDUQZHHVJGGG-UHFFFAOYSA-N 0 3 311.303 3.749 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccccc2)c1[O-] ZINC000271795572 1027149417 /nfs/dbraw/zinc/14/94/17/1027149417.db2.gz HTVXAHWYBNOJEI-MRXNPFEDSA-N 0 3 305.805 3.567 20 10 DHCDHN CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(C)cc1[O-] ZINC000812738090 1027381172 /nfs/dbraw/zinc/38/11/72/1027381172.db2.gz WOTYLYXBPJQDRX-MRXNPFEDSA-N 0 3 313.445 3.554 20 10 DHCDHN CCOc1ccc(CN2CC(c3ccccc3F)C2)c(O)c1 ZINC000812790678 1027407145 /nfs/dbraw/zinc/40/71/45/1027407145.db2.gz CZXSDIVAOZZDDT-UHFFFAOYSA-N 0 3 301.361 3.529 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccnc(N3CCCCC3)c1)CC2 ZINC000295828842 1027449587 /nfs/dbraw/zinc/44/95/87/1027449587.db2.gz DTLLKTKDFLOSDH-QGZVFWFLSA-N 0 3 323.440 3.555 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000813330759 1027608924 /nfs/dbraw/zinc/60/89/24/1027608924.db2.gz GQXABGULGFQPIJ-ZDUSSCGKSA-N 0 3 323.396 3.642 20 10 DHCDHN CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC000158721614 1027621207 /nfs/dbraw/zinc/62/12/07/1027621207.db2.gz NKUZNCGAZPINIE-QGZVFWFLSA-N 0 3 320.820 3.778 20 10 DHCDHN C[N@H+](CCOc1ccccc1Cl)Cc1cc(F)ccc1[O-] ZINC000778993838 1027731347 /nfs/dbraw/zinc/73/13/47/1027731347.db2.gz AUZHDHLQCXEKKW-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN C[N@@H+](CCOc1ccccc1Cl)Cc1cc(F)ccc1[O-] ZINC000778993838 1027731359 /nfs/dbraw/zinc/73/13/59/1027731359.db2.gz AUZHDHLQCXEKKW-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779021341 1027870973 /nfs/dbraw/zinc/87/09/73/1027870973.db2.gz CRANSFKYVNRRKF-GHMZBOCLSA-N 0 3 316.239 3.539 20 10 DHCDHN Brc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000048182561 1027877902 /nfs/dbraw/zinc/87/79/02/1027877902.db2.gz ZUBOPWDSIZLKCN-UHFFFAOYSA-N 0 3 318.214 3.674 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[O-] ZINC000814169045 1027925289 /nfs/dbraw/zinc/92/52/89/1027925289.db2.gz CHKXDVAPCGPGPW-OCCSQVGLSA-N 0 3 301.764 3.831 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[O-] ZINC000814169045 1027925304 /nfs/dbraw/zinc/92/53/04/1027925304.db2.gz CHKXDVAPCGPGPW-OCCSQVGLSA-N 0 3 301.764 3.831 20 10 DHCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])OC)c1 ZINC000527924846 1027954593 /nfs/dbraw/zinc/95/45/93/1027954593.db2.gz ICZGROMNSGZSPP-KZULUSFZSA-N 0 3 319.376 3.578 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC12CC(C1)CO2 ZINC000527985127 1028044697 /nfs/dbraw/zinc/04/46/97/1028044697.db2.gz YTGGCYVKYSCJGV-BIXGBWIQSA-N 0 3 323.436 3.835 20 10 DHCDHN CC(C)[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000814630842 1028130680 /nfs/dbraw/zinc/13/06/80/1028130680.db2.gz ZESAXOBYEOKLPF-OXQOHEQNSA-N 0 3 313.441 3.972 20 10 DHCDHN CC(C)[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000814630842 1028130692 /nfs/dbraw/zinc/13/06/92/1028130692.db2.gz ZESAXOBYEOKLPF-OXQOHEQNSA-N 0 3 313.441 3.972 20 10 DHCDHN CC[C@H]([NH2+][C@@]1(CO)CCCc2ccccc21)c1ccccc1[O-] ZINC000367328568 1028166426 /nfs/dbraw/zinc/16/64/26/1028166426.db2.gz ZVIKCAYMMRMRTC-AZUAARDMSA-N 0 3 311.425 3.657 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368040185 1028289179 /nfs/dbraw/zinc/28/91/79/1028289179.db2.gz HZRVSMUOBIMSNO-UKRRQHHQSA-N 0 3 313.401 3.593 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368040185 1028289198 /nfs/dbraw/zinc/28/91/98/1028289198.db2.gz HZRVSMUOBIMSNO-UKRRQHHQSA-N 0 3 313.401 3.593 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c([O-])c1 ZINC000815585542 1028555910 /nfs/dbraw/zinc/55/59/10/1028555910.db2.gz KJZVMZPBAFWTNZ-AWEZNQCLSA-N 0 3 307.434 3.782 20 10 DHCDHN C[C@@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815584686 1028557404 /nfs/dbraw/zinc/55/74/04/1028557404.db2.gz MJUGKFITHLISPR-LPHOPBHVSA-N 0 3 313.441 3.674 20 10 DHCDHN CC[C@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815589409 1028559630 /nfs/dbraw/zinc/55/96/30/1028559630.db2.gz RLDYFLLTSICANP-HKUYNNGSSA-N 0 3 313.441 3.817 20 10 DHCDHN COc1ccncc1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000815628510 1028577840 /nfs/dbraw/zinc/57/78/40/1028577840.db2.gz CFHWBPITOIMMSF-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648074 1028591986 /nfs/dbraw/zinc/59/19/86/1028591986.db2.gz DCEHXJZEGNQZCS-DOTOQJQBSA-N 0 3 305.462 3.848 20 10 DHCDHN CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])c2ccccc21 ZINC000370372978 1028597584 /nfs/dbraw/zinc/59/75/84/1028597584.db2.gz GVFWJDOZOJKXSX-KDOFPFPSSA-N 0 3 324.424 3.849 20 10 DHCDHN [O-]c1c(C[N@@H+]2CCC[C@H]2CN2CCCC2)ccc2ccccc21 ZINC000816497856 1028907013 /nfs/dbraw/zinc/90/70/13/1028907013.db2.gz WHLQNLKRGPQVFC-SFHVURJKSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1c(C[N@H+]2CCC[C@H]2CN2CCCC2)ccc2ccccc21 ZINC000816497856 1028907020 /nfs/dbraw/zinc/90/70/20/1028907020.db2.gz WHLQNLKRGPQVFC-SFHVURJKSA-N 0 3 310.441 3.606 20 10 DHCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000816515135 1028920530 /nfs/dbraw/zinc/92/05/30/1028920530.db2.gz QIXJSPKRWRHLHQ-MAUKXSAKSA-N 0 3 312.457 3.850 20 10 DHCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000816515135 1028920537 /nfs/dbraw/zinc/92/05/37/1028920537.db2.gz QIXJSPKRWRHLHQ-MAUKXSAKSA-N 0 3 312.457 3.850 20 10 DHCDHN Cc1ccn2cc(C[NH2+]Cc3ccc4ccccc4c3[O-])nc2c1 ZINC000816548867 1028929446 /nfs/dbraw/zinc/92/94/46/1028929446.db2.gz VXDSASAGYBQBSZ-UHFFFAOYSA-N 0 3 317.392 3.791 20 10 DHCDHN CC(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000817952282 1029295860 /nfs/dbraw/zinc/29/58/60/1029295860.db2.gz DGVBHLFYZITFNF-ZWKOTPCHSA-N 0 3 310.441 3.793 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817975054 1029313808 /nfs/dbraw/zinc/31/38/08/1029313808.db2.gz IDZYZIYABDIUOB-WBMJQRKESA-N 0 3 312.413 3.927 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985283 1029323435 /nfs/dbraw/zinc/32/34/35/1029323435.db2.gz IWPRUZDGNWUJJL-SWLSCSKDSA-N 0 3 308.853 3.761 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccccc1[O-] ZINC000156075057 1029372980 /nfs/dbraw/zinc/37/29/80/1029372980.db2.gz RERXDGCSHWSCDT-KDOFPFPSSA-N 0 3 315.413 3.909 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000374882451 1029488013 /nfs/dbraw/zinc/48/80/13/1029488013.db2.gz QCMGHUCZYXYBDR-UHFFFAOYSA-N 0 3 313.372 3.553 20 10 DHCDHN CCOc1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c([O-])c1 ZINC000865726758 1029992668 /nfs/dbraw/zinc/99/26/68/1029992668.db2.gz SJNDRMIIWVELTC-SFHVURJKSA-N 0 3 319.445 3.620 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccc(C)cc1[O-] ZINC000866426190 1030291828 /nfs/dbraw/zinc/29/18/28/1030291828.db2.gz UVHKBXQCAWTADB-ZBFHGGJFSA-N 0 3 307.434 3.531 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(C)cc1[O-] ZINC000866531738 1030351856 /nfs/dbraw/zinc/35/18/56/1030351856.db2.gz SPIFJNOMQSTVSG-NVXWUHKLSA-N 0 3 303.446 3.948 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000291153345 1030366766 /nfs/dbraw/zinc/36/67/66/1030366766.db2.gz IMPJDBIOYDGLCJ-CABCVRRESA-N 0 3 314.404 3.708 20 10 DHCDHN CCOCc1cc(CNCc2cc(C)cs2)ccc1OC ZINC000824751396 1030639492 /nfs/dbraw/zinc/63/94/92/1030639492.db2.gz VFMDXIGUUPPONQ-UHFFFAOYSA-N 0 3 305.443 3.891 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000824798896 1030641449 /nfs/dbraw/zinc/64/14/49/1030641449.db2.gz IPLBXDUZQIZCAG-CJNGLKHVSA-N 0 3 311.853 3.895 20 10 DHCDHN CO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000824815419 1030646607 /nfs/dbraw/zinc/64/66/07/1030646607.db2.gz OLKQTNRAVDMYQN-QRWLVFNGSA-N 0 3 311.425 3.916 20 10 DHCDHN CO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000824815419 1030646623 /nfs/dbraw/zinc/64/66/23/1030646623.db2.gz OLKQTNRAVDMYQN-QRWLVFNGSA-N 0 3 311.425 3.916 20 10 DHCDHN CO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000824815417 1030647949 /nfs/dbraw/zinc/64/79/49/1030647949.db2.gz OLKQTNRAVDMYQN-FOIQADDNSA-N 0 3 311.425 3.916 20 10 DHCDHN CO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000824815417 1030647961 /nfs/dbraw/zinc/64/79/61/1030647961.db2.gz OLKQTNRAVDMYQN-FOIQADDNSA-N 0 3 311.425 3.916 20 10 DHCDHN CO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000824815418 1030648623 /nfs/dbraw/zinc/64/86/23/1030648623.db2.gz OLKQTNRAVDMYQN-MGPUTAFESA-N 0 3 311.425 3.916 20 10 DHCDHN CO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000824815418 1030648629 /nfs/dbraw/zinc/64/86/29/1030648629.db2.gz OLKQTNRAVDMYQN-MGPUTAFESA-N 0 3 311.425 3.916 20 10 DHCDHN CCOCc1cc(CNCc2cnc(C)cc2C)ccc1OC ZINC000825221466 1030750818 /nfs/dbraw/zinc/75/08/18/1030750818.db2.gz NUEMDOWPHKUXRA-UHFFFAOYSA-N 0 3 314.429 3.533 20 10 DHCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](CC)c3ccccc3[O-])C2)n1 ZINC000927053185 1031051453 /nfs/dbraw/zinc/05/14/53/1031051453.db2.gz OPDKBOZNYLGLCW-IPYPFGDCSA-N 0 3 315.417 3.715 20 10 DHCDHN CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cnn(C)c1 ZINC000927066796 1031066391 /nfs/dbraw/zinc/06/63/91/1031066391.db2.gz DOIOOFUFJOUDNF-OMPKRAJASA-N 0 3 317.408 3.800 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(c3ccccc3)CCCO1)CC2 ZINC000927118745 1031103634 /nfs/dbraw/zinc/10/36/34/1031103634.db2.gz HGPPFASNSKXYHO-XLIONFOSSA-N 0 3 309.409 3.675 20 10 DHCDHN COc1cc(O)c(CNC(C)(C)c2ccccc2F)cc1OC ZINC000292835797 1031204667 /nfs/dbraw/zinc/20/46/67/1031204667.db2.gz RSLYGIFIDWXYNS-UHFFFAOYSA-N 0 3 319.376 3.573 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CSC)C2)c1[O-] ZINC000292882713 1031233592 /nfs/dbraw/zinc/23/35/92/1031233592.db2.gz XYGJNILOLCBGQV-NSHDSACASA-N 0 3 315.866 3.629 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CSC)C2)c1[O-] ZINC000292882713 1031233601 /nfs/dbraw/zinc/23/36/01/1031233601.db2.gz XYGJNILOLCBGQV-NSHDSACASA-N 0 3 315.866 3.629 20 10 DHCDHN Cc1nccnc1[C@@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134011 1031527758 /nfs/dbraw/zinc/52/77/58/1031527758.db2.gz QDLQRZKDCDMRCV-TZMCWYRMSA-N 0 3 311.429 3.781 20 10 DHCDHN CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])COC1 ZINC000293864202 1031663635 /nfs/dbraw/zinc/66/36/35/1031663635.db2.gz UQHOALAYLYFJFY-SFHVURJKSA-N 0 3 311.425 3.692 20 10 DHCDHN CCN(Cc1ccccc1O)Cc1cccnc1C(F)(F)F ZINC001144538300 1031685524 /nfs/dbraw/zinc/68/55/24/1031685524.db2.gz KTFRLPAPRWJUMO-UHFFFAOYSA-N 0 3 310.319 3.828 20 10 DHCDHN COc1cccc(O)c1CNCc1cccc(OC(C)(C)C)c1 ZINC000873164974 1031734863 /nfs/dbraw/zinc/73/48/63/1031734863.db2.gz OBUXKBCWEAJCPN-UHFFFAOYSA-N 0 3 315.413 3.868 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000873164974 1031734873 /nfs/dbraw/zinc/73/48/73/1031734873.db2.gz OBUXKBCWEAJCPN-UHFFFAOYSA-N 0 3 315.413 3.868 20 10 DHCDHN CC[C@H](N[C@H](c1ccccc1F)[C@H](C)O)c1ccccc1O ZINC000846013569 1031810371 /nfs/dbraw/zinc/81/03/71/1031810371.db2.gz MUPSIFBFPPZXDI-IWEFOYFVSA-N 0 3 303.377 3.694 20 10 DHCDHN CC[C@H]([NH2+][C@H](c1ccccc1F)[C@H](C)O)c1ccccc1[O-] ZINC000846013569 1031810378 /nfs/dbraw/zinc/81/03/78/1031810378.db2.gz MUPSIFBFPPZXDI-IWEFOYFVSA-N 0 3 303.377 3.694 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1[O-] ZINC000846035896 1031827548 /nfs/dbraw/zinc/82/75/48/1031827548.db2.gz VDUFFSVDUMINET-KBPBESRZSA-N 0 3 322.207 3.849 20 10 DHCDHN CCOc1ccccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846148121 1031883385 /nfs/dbraw/zinc/88/33/85/1031883385.db2.gz ZPWOMHZMYUIKNQ-ZDUSSCGKSA-N 0 3 301.386 3.650 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H]2COc3c2ccc(C)c3C)c1O ZINC000846150355 1031886381 /nfs/dbraw/zinc/88/63/81/1031886381.db2.gz ZMRAAGQKLMVDBK-CZUORRHYSA-N 0 3 313.397 3.802 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000136687757 1033313304 /nfs/dbraw/zinc/31/33/04/1033313304.db2.gz HYUZXUNRDGXNGR-MRXNPFEDSA-N 0 3 319.445 3.762 20 10 DHCDHN CCCCN(Cc1ccc(Cl)nn1)Cc1ccccc1O ZINC000877503704 1033327871 /nfs/dbraw/zinc/32/78/71/1033327871.db2.gz UIYAZMZDIGNCLI-UHFFFAOYSA-N 0 3 305.809 3.638 20 10 DHCDHN CCOc1ccc(O)c(CNC2(c3cccc(OC)c3)CC2)c1 ZINC000150890139 1033390436 /nfs/dbraw/zinc/39/04/36/1033390436.db2.gz WILYFMDUWDAHEZ-UHFFFAOYSA-N 0 3 313.397 3.578 20 10 DHCDHN COCc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000151189758 1033427856 /nfs/dbraw/zinc/42/78/56/1033427856.db2.gz ZFJYQPQSWRJJFS-AWEZNQCLSA-N 0 3 316.420 3.889 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccccc1[O-] ZINC000877756006 1033435642 /nfs/dbraw/zinc/43/56/42/1033435642.db2.gz YBMFCAUAYDHIQQ-MRXNPFEDSA-N 0 3 321.424 3.682 20 10 DHCDHN [O-]c1c(O)cccc1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173199932 1033589842 /nfs/dbraw/zinc/58/98/42/1033589842.db2.gz JJBQOBPGTMUTNK-UHFFFAOYSA-N 0 3 313.397 3.578 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000862547795 1033886357 /nfs/dbraw/zinc/88/63/57/1033886357.db2.gz PKRYVFKUKUUJSL-UHFFFAOYSA-N 0 3 313.294 3.926 20 10 DHCDHN Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649709 1034071153 /nfs/dbraw/zinc/07/11/53/1034071153.db2.gz SUVOHPCWUWBKIG-HUUCEWRRSA-N 0 3 312.413 3.687 20 10 DHCDHN CCOc1ccccc1OCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651195 1034075849 /nfs/dbraw/zinc/07/58/49/1034075849.db2.gz MBQBCYZJFCTQFX-AWEZNQCLSA-N 0 3 301.386 3.521 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(CO)c(F)c2)cc1 ZINC000178561581 1034248665 /nfs/dbraw/zinc/24/86/65/1034248665.db2.gz CRFYJRCCSFFWPO-CQSZACIVSA-N 0 3 316.420 3.625 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(CO)c(F)c2)cc1 ZINC000178561598 1034248834 /nfs/dbraw/zinc/24/88/34/1034248834.db2.gz CRFYJRCCSFFWPO-AWEZNQCLSA-N 0 3 316.420 3.625 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@](C)(OC)C3)c2c1 ZINC000794656493 1034333475 /nfs/dbraw/zinc/33/34/75/1034333475.db2.gz MNLQFRXASGMKEZ-IBGZPJMESA-N 0 3 315.413 3.555 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@](C)(OC)C3)c2c1 ZINC000794656493 1034333489 /nfs/dbraw/zinc/33/34/89/1034333489.db2.gz MNLQFRXASGMKEZ-IBGZPJMESA-N 0 3 315.413 3.555 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000183451402 1034388750 /nfs/dbraw/zinc/38/87/50/1034388750.db2.gz QLSUPKGLXCKYPC-GJZGRUSLSA-N 0 3 324.424 3.931 20 10 DHCDHN COc1cc(F)c([C@@H](C)N[C@H](C)c2ccccc2O)cc1OC ZINC000183512958 1034394495 /nfs/dbraw/zinc/39/44/95/1034394495.db2.gz ZJBNOQFXDPKUKP-VXGBXAGGSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183512958 1034394508 /nfs/dbraw/zinc/39/45/08/1034394508.db2.gz ZJBNOQFXDPKUKP-VXGBXAGGSA-N 0 3 319.376 3.960 20 10 DHCDHN C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1[O-] ZINC000183538014 1034395872 /nfs/dbraw/zinc/39/58/72/1034395872.db2.gz DLSQXDHLYWWZHB-VIFPVBQESA-N 0 3 316.348 3.761 20 10 DHCDHN COCCCOc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183626079 1034403806 /nfs/dbraw/zinc/40/38/06/1034403806.db2.gz SIIGWDKZDFFNAR-OAHLLOKOSA-N 0 3 315.413 3.658 20 10 DHCDHN CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)c([O-])c1 ZINC000183715105 1034413371 /nfs/dbraw/zinc/41/33/71/1034413371.db2.gz GCFRPEUEGKQYDK-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)c([O-])c1 ZINC000183715105 1034413381 /nfs/dbraw/zinc/41/33/81/1034413381.db2.gz GCFRPEUEGKQYDK-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(CN(C)[C@H](C)c2ccncc2)c(O)c1 ZINC000183715105 1034413387 /nfs/dbraw/zinc/41/33/87/1034413387.db2.gz GCFRPEUEGKQYDK-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CC[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794800625 1034472666 /nfs/dbraw/zinc/47/26/66/1034472666.db2.gz DOHYWUNHPZEZFA-IBGZPJMESA-N 0 3 312.457 3.873 20 10 DHCDHN CC[C@@H](NCc1cn2ccsc2n1)c1ccc(C)cc1O ZINC000794805497 1034491276 /nfs/dbraw/zinc/49/12/76/1034491276.db2.gz XWLIJHUVASPEOC-CQSZACIVSA-N 0 3 301.415 3.651 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c([O-])c1 ZINC000184920269 1034511586 /nfs/dbraw/zinc/51/15/86/1034511586.db2.gz SFCJUUGSBWDTQL-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN CC[C@H]([NH2+]CC(CC)(CC)C(=O)OC)c1ccc(C)cc1[O-] ZINC000794813774 1034519408 /nfs/dbraw/zinc/51/94/08/1034519408.db2.gz JRFAQQPUAIOEMF-HNNXBMFYSA-N 0 3 307.434 3.721 20 10 DHCDHN COc1cccc(CN[C@H](C)c2cc(C)ccc2O)c1OC ZINC000185076794 1034527975 /nfs/dbraw/zinc/52/79/75/1034527975.db2.gz ACMAVNOMXZBQHZ-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CCCOc1ncccc1CN[C@@H](C)c1cc(F)ccc1O ZINC000185143468 1034530951 /nfs/dbraw/zinc/53/09/51/1034530951.db2.gz AZIADEUHMRUMTF-LBPRGKRZSA-N 0 3 304.365 3.566 20 10 DHCDHN C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185532928 1034553876 /nfs/dbraw/zinc/55/38/76/1034553876.db2.gz BESNNKIMONORGB-GUYCJALGSA-N 0 3 303.377 3.696 20 10 DHCDHN C[C@H](NCc1cccnc1F)c1cc2c(cc1O)CCCC2 ZINC000794831935 1034559641 /nfs/dbraw/zinc/55/96/41/1034559641.db2.gz ADOWZNGPLOWPAL-LBPRGKRZSA-N 0 3 300.377 3.656 20 10 DHCDHN COCc1ccc([C@@H]2CCCN2Cc2cc(F)ccc2O)o1 ZINC000185676889 1034565098 /nfs/dbraw/zinc/56/50/98/1034565098.db2.gz IJGUFAPXRXAUFB-HNNXBMFYSA-N 0 3 305.349 3.608 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185940923 1034586429 /nfs/dbraw/zinc/58/64/29/1034586429.db2.gz MACAZYFYSYQTDM-GFCCVEGCSA-N 0 3 310.869 3.959 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1[O-] ZINC000186094146 1034599320 /nfs/dbraw/zinc/59/93/20/1034599320.db2.gz WEZYQRWXQWRGLY-LJQANCHMSA-N 0 3 321.424 3.878 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C(F)F)nc1 ZINC000865465934 1034659608 /nfs/dbraw/zinc/65/96/08/1034659608.db2.gz MASKJWJWAWIQBI-UHFFFAOYSA-N 0 3 305.372 3.683 20 10 DHCDHN CCCOc1ccc(C[NH+]2CCC(C)(OCC)CC2)c([O-])c1 ZINC000292222587 1034681555 /nfs/dbraw/zinc/68/15/55/1034681555.db2.gz AHVMUEHNURFIJD-UHFFFAOYSA-N 0 3 307.434 3.572 20 10 DHCDHN C[C@H](NCc1c(Cl)nc2ccccn21)c1ccccc1O ZINC001179494159 1035481132 /nfs/dbraw/zinc/48/11/32/1035481132.db2.gz LMQOKHQKKYGTHQ-NSHDSACASA-N 0 3 301.777 3.544 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccccc1[O-] ZINC000797134475 1035490092 /nfs/dbraw/zinc/49/00/92/1035490092.db2.gz SMKAOANRSWIDRR-VGOFRKELSA-N 0 3 317.454 3.512 20 10 DHCDHN CCCCn1cc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774475422 1036353982 /nfs/dbraw/zinc/35/39/82/1036353982.db2.gz SMUCAWGZPKBKDK-OAHLLOKOSA-N 0 3 314.477 3.908 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2cccc3ccccc32)c([O-])c1 ZINC001182835233 1036466104 /nfs/dbraw/zinc/46/61/04/1036466104.db2.gz PFGLHEAJUVGZLE-HXUWFJFHSA-N 0 3 307.393 3.677 20 10 DHCDHN Cc1cccc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000775713735 1036525118 /nfs/dbraw/zinc/52/51/18/1036525118.db2.gz MBZLWCMWSHCZSV-QFBILLFUSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000775725676 1036561438 /nfs/dbraw/zinc/56/14/38/1036561438.db2.gz LHJBTVDYIFIMHQ-LBPRGKRZSA-N 0 3 310.235 3.695 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000775725676 1036561447 /nfs/dbraw/zinc/56/14/47/1036561447.db2.gz LHJBTVDYIFIMHQ-LBPRGKRZSA-N 0 3 310.235 3.695 20 10 DHCDHN CC[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccccc1[O-] ZINC000155755542 1036849218 /nfs/dbraw/zinc/84/92/18/1036849218.db2.gz HPQXFFQGPCHVDF-AZUAARDMSA-N 0 3 311.425 3.657 20 10 DHCDHN CCC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000152475286 1037240784 /nfs/dbraw/zinc/24/07/84/1037240784.db2.gz RJPZIJNXCFXRTJ-MRXNPFEDSA-N 0 3 315.413 3.555 20 10 DHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000776001803 1037294376 /nfs/dbraw/zinc/29/43/76/1037294376.db2.gz BOJIDLZYHNUEFP-IRXDYDNUSA-N 0 3 311.425 3.992 20 10 DHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000776001803 1037294394 /nfs/dbraw/zinc/29/43/94/1037294394.db2.gz BOJIDLZYHNUEFP-IRXDYDNUSA-N 0 3 311.425 3.992 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000776011837 1037308666 /nfs/dbraw/zinc/30/86/66/1037308666.db2.gz BQKUTLYUACEXBR-FZMZJTMJSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000776011837 1037308684 /nfs/dbraw/zinc/30/86/84/1037308684.db2.gz BQKUTLYUACEXBR-FZMZJTMJSA-N 0 3 317.351 3.954 20 10 DHCDHN COc1ccc(-c2cc(CN[C@H](C)c3ccccc3O)on2)cc1 ZINC000775130453 1037656554 /nfs/dbraw/zinc/65/65/54/1037656554.db2.gz LEIJZHQVANPEHF-CYBMUJFWSA-N 0 3 324.380 3.907 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000775173378 1037910794 /nfs/dbraw/zinc/91/07/94/1037910794.db2.gz QTGOOWHEDDIYJC-INIZCTEOSA-N 0 3 317.816 3.707 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1[O-] ZINC000157040066 1038487741 /nfs/dbraw/zinc/48/77/41/1038487741.db2.gz OCVYBWOVVBYDIR-GDBMZVCRSA-N 0 3 305.418 3.509 20 10 DHCDHN COc1ccc(N2CCN(CCCC(C)(C)C)CC2)cc1F ZINC001192107441 1038587393 /nfs/dbraw/zinc/58/73/93/1038587393.db2.gz HZRPIVGXRBLCHP-UHFFFAOYSA-N 0 3 308.441 3.783 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000775539104 1038682622 /nfs/dbraw/zinc/68/26/22/1038682622.db2.gz CCARIJCWSRZDID-NVXWUHKLSA-N 0 3 319.445 3.899 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775551998 1038709887 /nfs/dbraw/zinc/70/98/87/1038709887.db2.gz QJAIHXZDFDUYTC-VQIMIIECSA-N 0 3 311.425 3.999 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000170779208 1038959738 /nfs/dbraw/zinc/95/97/38/1038959738.db2.gz LYXHURNAOOBCTL-GOSISDBHSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000170779208 1038959750 /nfs/dbraw/zinc/95/97/50/1038959750.db2.gz LYXHURNAOOBCTL-GOSISDBHSA-N 0 3 321.367 3.616 20 10 DHCDHN C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cc(Cl)ccc1[O-] ZINC000760898836 1039042112 /nfs/dbraw/zinc/04/21/12/1039042112.db2.gz SUNQFSMXSWONLN-ZDUSSCGKSA-N 0 3 310.869 3.818 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1[O-] ZINC000230934569 1040059380 /nfs/dbraw/zinc/05/93/80/1040059380.db2.gz QTSLUNVYOQKTOX-OLZOCXBDSA-N 0 3 315.866 3.818 20 10 DHCDHN CC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])NC(=O)OC(C)(C)C ZINC000227713141 1040367798 /nfs/dbraw/zinc/36/77/98/1040367798.db2.gz BVXKRQHVKPKFAD-ZIAGYGMSSA-N 0 3 322.449 3.655 20 10 DHCDHN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761216785 1040689755 /nfs/dbraw/zinc/68/97/55/1040689755.db2.gz XMCPCBBCOOIEDE-LLVKDONJSA-N 0 3 320.820 3.862 20 10 DHCDHN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CN1CCCC1 ZINC000060942128 1041333083 /nfs/dbraw/zinc/33/30/83/1041333083.db2.gz RHPWGAAMLKPULZ-LLVKDONJSA-N 0 3 317.260 3.521 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000091891423 193123618 /nfs/dbraw/zinc/12/36/18/193123618.db2.gz UOMRTWQXMMFPHH-RDJZCZTQSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000091891423 193123619 /nfs/dbraw/zinc/12/36/19/193123619.db2.gz UOMRTWQXMMFPHH-RDJZCZTQSA-N 0 3 317.454 3.850 20 10 DHCDHN CCCOc1ccc(CN(CC)Cc2ccccn2)c(O)c1 ZINC000093338869 193235245 /nfs/dbraw/zinc/23/52/45/193235245.db2.gz UMCJGFDOGDLWGH-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(F)ccc1[O-] ZINC000094616953 193384667 /nfs/dbraw/zinc/38/46/67/193384667.db2.gz MVVGIKVVELQZRU-FZMZJTMJSA-N 0 3 308.422 3.546 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c([O-])c1 ZINC000019233402 182111091 /nfs/dbraw/zinc/11/10/91/182111091.db2.gz REJNGCUASUNVPM-HIFRSBDPSA-N 0 3 304.459 3.716 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1C ZINC000273345788 130108879 /nfs/dbraw/zinc/10/88/79/130108879.db2.gz AQZXLYQFBYIQNJ-MPGHIAIKSA-N 0 3 321.486 3.714 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(F)ccc1[O-] ZINC000273405860 130117019 /nfs/dbraw/zinc/11/70/19/130117019.db2.gz OIZICCNWZKPEHP-ABAIWWIYSA-N 0 3 308.422 3.546 20 10 DHCDHN Cc1ccc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496120 130129328 /nfs/dbraw/zinc/12/93/28/130129328.db2.gz PCWKBLWRJSAQSN-CXAGYDPISA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500981 130129351 /nfs/dbraw/zinc/12/93/51/130129351.db2.gz QDFBMKMUESISND-GJZGRUSLSA-N 0 3 321.486 3.796 20 10 DHCDHN C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273533106 130134169 /nfs/dbraw/zinc/13/41/69/130134169.db2.gz WSULCIBMSJGNGT-SNVBAGLBSA-N 0 3 315.244 3.612 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c([O-])c1C ZINC000273558545 130136657 /nfs/dbraw/zinc/13/66/57/130136657.db2.gz HMVFTOZYMAXFMQ-ZYHUDNBSSA-N 0 3 305.340 3.627 20 10 DHCDHN Cc1nc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])sc1C ZINC000273611463 130143267 /nfs/dbraw/zinc/14/32/67/130143267.db2.gz WDGJONUBQDLCJF-ZDUSSCGKSA-N 0 3 304.459 3.976 20 10 DHCDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(C)ccc1O)CCO2 ZINC000274387718 130230735 /nfs/dbraw/zinc/23/07/35/130230735.db2.gz NVYKXVPDJGBYSE-DYVFJYSZSA-N 0 3 313.397 3.884 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)[C@H](O)c1cccc(F)c1)c1ccccc1[O-] ZINC000274958736 130276815 /nfs/dbraw/zinc/27/68/15/130276815.db2.gz WJVQVWZVLUEMPF-PUECVXPYSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccnc(OC(F)F)c2)c(O)c1C ZINC000284228861 131061508 /nfs/dbraw/zinc/06/15/08/131061508.db2.gz DGZROCLSYSIRLX-LBPRGKRZSA-N 0 3 322.355 3.856 20 10 DHCDHN Cn1nccc1C1=CC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000285201622 131147168 /nfs/dbraw/zinc/14/71/68/131147168.db2.gz WKTDCSGZBKCSPQ-UHFFFAOYSA-N 0 3 319.408 3.568 20 10 DHCDHN Cn1nccc1C1=CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000285201622 131147169 /nfs/dbraw/zinc/14/71/69/131147169.db2.gz WKTDCSGZBKCSPQ-UHFFFAOYSA-N 0 3 319.408 3.568 20 10 DHCDHN C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000286870096 131253681 /nfs/dbraw/zinc/25/36/81/131253681.db2.gz BRZBVGAOPADQJK-WBMJQRKESA-N 0 3 305.805 3.820 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000289359472 131377999 /nfs/dbraw/zinc/37/79/99/131377999.db2.gz KDYPYEDCOUPXNV-HNNXBMFYSA-N 0 3 319.376 3.789 20 10 DHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(N2CCCC2)n1 ZINC000289572088 131396807 /nfs/dbraw/zinc/39/68/07/131396807.db2.gz AZIKUCDRZWUREZ-HNNXBMFYSA-N 0 3 311.429 3.547 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC000297263986 132006619 /nfs/dbraw/zinc/00/66/19/132006619.db2.gz KELQICQMWVWKLE-CYBMUJFWSA-N 0 3 323.314 3.910 20 10 DHCDHN COc1cccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)c1O ZINC000529568617 331612390 /nfs/dbraw/zinc/61/23/90/331612390.db2.gz TVWCLLAFCXHHJQ-OAHLLOKOSA-N 0 3 321.779 3.970 20 10 DHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000074336372 331671014 /nfs/dbraw/zinc/67/10/14/331671014.db2.gz OPLMQCKUGCMQJU-AWEZNQCLSA-N 0 3 314.429 3.621 20 10 DHCDHN CCOc1cccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000294986472 335129571 /nfs/dbraw/zinc/12/95/71/335129571.db2.gz KFFGXSSTJZIFCK-DGCLKSJQSA-N 0 3 317.351 3.954 20 10 DHCDHN CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000192692052 333291479 /nfs/dbraw/zinc/29/14/79/333291479.db2.gz RHBVVYPMMXAXKU-WDEREUQCSA-N 0 3 317.260 3.691 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000184999152 333368601 /nfs/dbraw/zinc/36/86/01/333368601.db2.gz KXPHJSZVVVPIQL-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517714 333373982 /nfs/dbraw/zinc/37/39/82/333373982.db2.gz WGAPAMGFCALPRN-AWEZNQCLSA-N 0 3 322.449 3.656 20 10 DHCDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCc3cccc(O)c32)c1 ZINC000296999539 335150672 /nfs/dbraw/zinc/15/06/72/335150672.db2.gz STFFRJKKJIVZTQ-AWEZNQCLSA-N 0 3 318.760 3.731 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000271362391 334021319 /nfs/dbraw/zinc/02/13/19/334021319.db2.gz NPNMQTASPHGNMK-HOCLYGCPSA-N 0 3 303.427 3.542 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000271362391 334021321 /nfs/dbraw/zinc/02/13/21/334021321.db2.gz NPNMQTASPHGNMK-HOCLYGCPSA-N 0 3 303.427 3.542 20 10 DHCDHN CCc1nc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])cs1 ZINC000273460894 334047300 /nfs/dbraw/zinc/04/73/00/334047300.db2.gz CQAJPYAHJJYCID-ZDUSSCGKSA-N 0 3 304.459 3.921 20 10 DHCDHN CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000368995870 336856425 /nfs/dbraw/zinc/85/64/25/336856425.db2.gz UXPDEVBGRSUQJS-WFASDCNBSA-N 0 3 317.408 3.517 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000369652111 336869010 /nfs/dbraw/zinc/86/90/10/336869010.db2.gz BZGNXBDQBZSKCZ-IAGOWNOFSA-N 0 3 310.441 3.959 20 10 DHCDHN C[C@H]1[N@H+](Cc2c([O-])ccc3ccccc32)CCC12CCOCC2 ZINC000375240875 337006355 /nfs/dbraw/zinc/00/63/55/337006355.db2.gz YLBAYRJYZMSTKQ-OAHLLOKOSA-N 0 3 311.425 3.936 20 10 DHCDHN C[C@H]1[N@@H+](Cc2c([O-])ccc3ccccc32)CCC12CCOCC2 ZINC000375240875 337006356 /nfs/dbraw/zinc/00/63/56/337006356.db2.gz YLBAYRJYZMSTKQ-OAHLLOKOSA-N 0 3 311.425 3.936 20 10 DHCDHN Cc1noc(C2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)n1 ZINC000375239594 337006457 /nfs/dbraw/zinc/00/64/57/337006457.db2.gz UZQSNQNNTJRRHU-GRTSSRMGSA-N 0 3 315.417 3.769 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450753 337011311 /nfs/dbraw/zinc/01/13/11/337011311.db2.gz DEHSVIHZBGBWNE-GDBMZVCRSA-N 0 3 313.445 3.686 20 10 DHCDHN CCOc1ccc(O)c(CN(C)[C@H]2CCCc3cccnc32)c1 ZINC000377243124 337049272 /nfs/dbraw/zinc/04/92/72/337049272.db2.gz ILGPOUZXFGPIPO-KRWDZBQOSA-N 0 3 312.413 3.695 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000377694273 337058794 /nfs/dbraw/zinc/05/87/94/337058794.db2.gz IFDVXLDHLNSBMU-BVYOLEPJSA-N 0 3 319.445 3.502 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000377694273 337058795 /nfs/dbraw/zinc/05/87/95/337058795.db2.gz IFDVXLDHLNSBMU-BVYOLEPJSA-N 0 3 319.445 3.502 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377839307 337062406 /nfs/dbraw/zinc/06/24/06/337062406.db2.gz IBQFGJZGQNMGAB-OAHLLOKOSA-N 0 3 311.381 3.717 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377839307 337062407 /nfs/dbraw/zinc/06/24/07/337062407.db2.gz IBQFGJZGQNMGAB-OAHLLOKOSA-N 0 3 311.381 3.717 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H]1COc2ccccc21 ZINC000248481849 337565440 /nfs/dbraw/zinc/56/54/40/337565440.db2.gz BMQRSHYFOAQEBT-HWWQOWPSSA-N 0 3 301.361 3.747 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c([O-])c1 ZINC000527952705 337774065 /nfs/dbraw/zinc/77/40/65/337774065.db2.gz VFMYTIWHYIDBFC-WBVHZDCISA-N 0 3 302.462 3.758 20 10 DHCDHN COc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000237424187 341213706 /nfs/dbraw/zinc/21/37/06/341213706.db2.gz KNGZRRQLZYRFQT-HNNXBMFYSA-N 0 3 303.789 3.831 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CC2 ZINC000295853384 341715435 /nfs/dbraw/zinc/71/54/35/341715435.db2.gz GDIQIPRQKNATBF-LJQANCHMSA-N 0 3 322.452 3.634 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295923592 341715577 /nfs/dbraw/zinc/71/55/77/341715577.db2.gz JXKLWUGUKSRILG-WBMJQRKESA-N 0 3 313.397 3.748 20 10 DHCDHN CCOc1cccc(CN2CCC(C(F)(F)F)CC2)c1O ZINC000179951559 521337384 /nfs/dbraw/zinc/33/73/84/521337384.db2.gz ISGDWMHXFGXZHE-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1O ZINC000179951147 521337534 /nfs/dbraw/zinc/33/75/34/521337534.db2.gz KPYUYFDOUAJBJW-LBPRGKRZSA-N 0 3 303.324 3.565 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1CO)c1ccccc1[O-] ZINC000365160153 522727133 /nfs/dbraw/zinc/72/71/33/522727133.db2.gz WMXJGTBOZQFDQY-QSFXBCCZSA-N 0 3 311.425 3.729 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000272881231 535943200 /nfs/dbraw/zinc/94/32/00/535943200.db2.gz QNYWVCHVPKHJEL-DJCROIMJSA-N 0 3 321.367 3.833 20 10 DHCDHN COCC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421314 536817787 /nfs/dbraw/zinc/81/77/87/536817787.db2.gz JIWYFCCHXKOVAE-CJNGLKHVSA-N 0 3 319.401 3.731 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccccc1[O-] ZINC000155118001 1013220856 /nfs/dbraw/zinc/22/08/56/1013220856.db2.gz VTVAKKHBDFWJJG-SFHVURJKSA-N 0 3 315.413 3.658 20 10 DHCDHN COc1cc(C)cc(CNCc2ccc(Cl)cc2F)c1O ZINC000894497065 1013390203 /nfs/dbraw/zinc/39/02/03/1013390203.db2.gz ZOIFLRAKQGPNDI-UHFFFAOYSA-N 0 3 309.768 3.792 20 10 DHCDHN CC(C)c1cccc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167431007 1014296057 /nfs/dbraw/zinc/29/60/57/1014296057.db2.gz BCPPMZBYPGCPAU-UHFFFAOYSA-N 0 3 324.472 3.569 20 10 DHCDHN C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000317500307 1014508621 /nfs/dbraw/zinc/50/86/21/1014508621.db2.gz GHUHNUBUERDWSB-CQSZACIVSA-N 0 3 302.393 3.708 20 10 DHCDHN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000277234233 1016090984 /nfs/dbraw/zinc/09/09/84/1016090984.db2.gz MPBFERVZEQOQAA-XQQFMLRXSA-N 0 3 302.422 3.744 20 10 DHCDHN C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1cc(F)ccc1[O-] ZINC000185647221 1017079044 /nfs/dbraw/zinc/07/90/44/1017079044.db2.gz YJZPWJJAYKGCHE-JTQLQIEISA-N 0 3 311.303 3.539 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1[O-] ZINC000192848055 1017097884 /nfs/dbraw/zinc/09/78/84/1017097884.db2.gz CDCYSCUCRPWWJZ-LRDDRELGSA-N 0 3 313.401 3.685 20 10 DHCDHN CC[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012147 1032526776 /nfs/dbraw/zinc/52/67/76/1032526776.db2.gz VXIYJHAJMDFLQB-MOPGFXCFSA-N 0 3 316.420 3.666 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171388999 1032566601 /nfs/dbraw/zinc/56/66/01/1032566601.db2.gz RXCSTDHFVIXRAY-OAHLLOKOSA-N 0 3 315.363 3.586 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171388999 1032566604 /nfs/dbraw/zinc/56/66/04/1032566604.db2.gz RXCSTDHFVIXRAY-OAHLLOKOSA-N 0 3 315.363 3.586 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171388997 1032567187 /nfs/dbraw/zinc/56/71/87/1032567187.db2.gz RXCSTDHFVIXRAY-HNNXBMFYSA-N 0 3 315.363 3.586 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171388997 1032567193 /nfs/dbraw/zinc/56/71/93/1032567193.db2.gz RXCSTDHFVIXRAY-HNNXBMFYSA-N 0 3 315.363 3.586 20 10 DHCDHN Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000192946258 1017230788 /nfs/dbraw/zinc/23/07/88/1017230788.db2.gz RNIVJXLUKUWFFV-CQSZACIVSA-N 0 3 309.413 3.710 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c([O-])c1 ZINC000186149173 1017959040 /nfs/dbraw/zinc/95/90/40/1017959040.db2.gz YHGMRMDLXUUGMS-AWEZNQCLSA-N 0 3 323.396 3.644 20 10 DHCDHN [O-]c1ccccc1C[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000123737828 1018109415 /nfs/dbraw/zinc/10/94/15/1018109415.db2.gz NHZUFYKYBOECAC-UHFFFAOYSA-N 0 3 318.214 3.934 20 10 DHCDHN CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccccc1[O-] ZINC000186474076 1018826699 /nfs/dbraw/zinc/82/66/99/1018826699.db2.gz RQZNGXXHZLBOSO-MRXNPFEDSA-N 0 3 309.413 3.562 20 10 DHCDHN c1ccc2c(c1)CCSC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000765607363 1018994602 /nfs/dbraw/zinc/99/46/02/1018994602.db2.gz CDIPZHCPKTXTBU-GOSISDBHSA-N 0 3 311.450 3.742 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000858272290 1032826645 /nfs/dbraw/zinc/82/66/45/1032826645.db2.gz DPOWLVZKKMHNAV-HNNXBMFYSA-N 0 3 303.789 3.831 20 10 DHCDHN Cc1cc(O)c(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1C ZINC000727432100 1019713312 /nfs/dbraw/zinc/71/33/12/1019713312.db2.gz ZWGJIADZDHOLNW-JXFKEZNVSA-N 0 3 311.425 3.971 20 10 DHCDHN C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000176985220 1020155792 /nfs/dbraw/zinc/15/57/92/1020155792.db2.gz XLNNGUGNSPCUNI-OLZOCXBDSA-N 0 3 303.377 3.909 20 10 DHCDHN C[C@@H](CC1CC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765993032 1020163219 /nfs/dbraw/zinc/16/32/19/1020163219.db2.gz KPEPFHANNYERKX-SUMWQHHRSA-N 0 3 322.880 3.788 20 10 DHCDHN O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([O-])cs1 ZINC000731868909 1020167557 /nfs/dbraw/zinc/16/75/57/1020167557.db2.gz DKKLVSKOQJIMMP-UHFFFAOYSA-N 0 3 316.426 3.692 20 10 DHCDHN C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccccc1[O-] ZINC000186410695 1020312282 /nfs/dbraw/zinc/31/22/82/1020312282.db2.gz ZBBMPPQXSFJTDA-ZDUSSCGKSA-N 0 3 312.388 3.916 20 10 DHCDHN CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613325 1020418674 /nfs/dbraw/zinc/41/86/74/1020418674.db2.gz MVLXSDOCCRZJGX-UHFFFAOYSA-N 0 3 319.445 3.869 20 10 DHCDHN CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613325 1020418682 /nfs/dbraw/zinc/41/86/82/1020418682.db2.gz MVLXSDOCCRZJGX-UHFFFAOYSA-N 0 3 319.445 3.869 20 10 DHCDHN CCOc1ccc(C[NH2+]CCc2cn(C)c3ccccc23)c([O-])c1 ZINC000850380194 1021499099 /nfs/dbraw/zinc/49/90/99/1021499099.db2.gz PQYLLAKQHBNGSZ-UHFFFAOYSA-N 0 3 324.424 3.615 20 10 DHCDHN CCOc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c([O-])c1 ZINC000850391179 1021504480 /nfs/dbraw/zinc/50/44/80/1021504480.db2.gz HOGMKLNWDUNVEA-UHFFFAOYSA-N 0 3 311.372 3.849 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccoc2)c1[O-] ZINC000850531806 1021585622 /nfs/dbraw/zinc/58/56/22/1021585622.db2.gz OAMPMIIHYSYEOD-LLVKDONJSA-N 0 3 324.218 3.949 20 10 DHCDHN C[C@@H](N[C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511036 1021569371 /nfs/dbraw/zinc/56/93/71/1021569371.db2.gz YRHGHSCRCBNEHY-KGLIPLIRSA-N 0 3 306.837 3.546 20 10 DHCDHN CC[C@H](NCc1c(C2CC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850533717 1021588536 /nfs/dbraw/zinc/58/85/36/1021588536.db2.gz BMTAUBOCQZQMJS-SFHVURJKSA-N 0 3 312.461 3.604 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2[O-] ZINC000850569745 1021612690 /nfs/dbraw/zinc/61/26/90/1021612690.db2.gz ALEHUIDVSZDSPZ-MWLCHTKSSA-N 0 3 313.463 3.865 20 10 DHCDHN C[C@@H](NCc1cc(F)ccc1OC(F)F)c1ccccc1O ZINC000850569990 1021613073 /nfs/dbraw/zinc/61/30/73/1021613073.db2.gz PGEQKLFSSJFPHC-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1[O-] ZINC000850569990 1021613078 /nfs/dbraw/zinc/61/30/78/1021613078.db2.gz PGEQKLFSSJFPHC-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000850572786 1021615245 /nfs/dbraw/zinc/61/52/45/1021615245.db2.gz GMBYUSXZCHVELQ-QSFXBCCZSA-N 0 3 313.441 3.906 20 10 DHCDHN Fc1cc(CNCc2ccc3c(c2)CCO3)ccc1C(F)F ZINC000892792969 1021620118 /nfs/dbraw/zinc/62/01/18/1021620118.db2.gz JTCDUBCLCRJJMI-UHFFFAOYSA-N 0 3 307.315 3.988 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc3ccccc3n2)c1 ZINC000182434882 1021652737 /nfs/dbraw/zinc/65/27/37/1021652737.db2.gz OFQJAFFBERQJLM-CYBMUJFWSA-N 0 3 308.381 3.800 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccccc1[O-] ZINC000154821380 1021655772 /nfs/dbraw/zinc/65/57/72/1021655772.db2.gz UKVXKGRSDOKNIC-PKOBYXMFSA-N 0 3 312.457 3.606 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCN1Cc1ccccc1 ZINC000379646478 1021656596 /nfs/dbraw/zinc/65/65/96/1021656596.db2.gz JEYVYTQYAOOPBX-VQIMIIECSA-N 0 3 310.441 3.535 20 10 DHCDHN CCOC(=O)N[C@@H](C[NH2+][C@H](CC)c1ccccc1[O-])CC(C)C ZINC000155021710 1021819054 /nfs/dbraw/zinc/81/90/54/1021819054.db2.gz OEDCIXGOROQAOA-GDBMZVCRSA-N 0 3 322.449 3.594 20 10 DHCDHN CN(C)c1ccc(CN(C)Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000155181798 1022042343 /nfs/dbraw/zinc/04/23/43/1022042343.db2.gz ZPEXTWGBODLBNF-UHFFFAOYSA-N 0 3 320.440 3.775 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](CO)c2ccccc2C)cc1 ZINC000766399212 1022092358 /nfs/dbraw/zinc/09/23/58/1022092358.db2.gz JMDDZMGNSZRNKT-OXQOHEQNSA-N 0 3 312.457 3.835 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000183517128 1022169665 /nfs/dbraw/zinc/16/96/65/1022169665.db2.gz UQLPIBURRHGGGK-GOEBONIOSA-N 0 3 314.404 3.851 20 10 DHCDHN O=C(Nc1cccc(N2CCCCC2)c1)c1cccc2c1CNC2 ZINC000852793669 1022179071 /nfs/dbraw/zinc/17/90/71/1022179071.db2.gz FIMZXPBDMSYFOE-UHFFFAOYSA-N 0 3 321.424 3.532 20 10 DHCDHN CCCCc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1 ZINC000852852196 1022183775 /nfs/dbraw/zinc/18/37/75/1022183775.db2.gz QGMPQFQGKNQGLM-UHFFFAOYSA-N 0 3 322.452 3.952 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000183556691 1022189711 /nfs/dbraw/zinc/18/97/11/1022189711.db2.gz VNHAMSFLYVFHOV-LRDDRELGSA-N 0 3 313.422 3.991 20 10 DHCDHN COc1cccc(OCCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183610568 1022209051 /nfs/dbraw/zinc/20/90/51/1022209051.db2.gz WYECGBXUNAHYIF-CQSZACIVSA-N 0 3 301.386 3.521 20 10 DHCDHN COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183633036 1022217833 /nfs/dbraw/zinc/21/78/33/1022217833.db2.gz VEEMCNKRFAMQFF-HUUCEWRRSA-N 0 3 315.413 3.767 20 10 DHCDHN Cc1ccc([C@@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852135 1022338156 /nfs/dbraw/zinc/33/81/56/1022338156.db2.gz JIPIOCXGEAONSD-QRWLVFNGSA-N 0 3 321.424 3.874 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(F)ccc1[O-] ZINC000363882985 1022377160 /nfs/dbraw/zinc/37/71/60/1022377160.db2.gz GCHLWDCFELLIBQ-MEBBXXQBSA-N 0 3 305.324 3.845 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000854223214 1022434075 /nfs/dbraw/zinc/43/40/75/1022434075.db2.gz RFSWTDAKIXSLQL-BHIYHBOVSA-N 0 3 310.441 3.579 20 10 DHCDHN CCN(CC)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000185228267 1022467602 /nfs/dbraw/zinc/46/76/02/1022467602.db2.gz XVMRLGLVQARBMC-XJKSGUPXSA-N 0 3 320.408 3.858 20 10 DHCDHN CCOc1ccc(O)c(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179623370 1022483621 /nfs/dbraw/zinc/48/36/21/1022483621.db2.gz KGOJBOTZKOESGJ-GFCCVEGCSA-N 0 3 303.324 3.565 20 10 DHCDHN C[C@H]([NH2+]CCCSc1nccs1)c1cc(F)ccc1[O-] ZINC000185490168 1022494962 /nfs/dbraw/zinc/49/49/62/1022494962.db2.gz FYXPAXQBSUTVGK-JTQLQIEISA-N 0 3 312.435 3.821 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccccc1[O-] ZINC000179887565 1022574542 /nfs/dbraw/zinc/57/45/42/1022574542.db2.gz DEUIVSZLLFOGME-VLIAUNLRSA-N 0 3 307.393 3.930 20 10 DHCDHN COc1ccc(O)c(CN(C)Cc2cccc(OC(C)C)c2)c1 ZINC000180641222 1022775818 /nfs/dbraw/zinc/77/58/18/1022775818.db2.gz ORZKNVUFCMEOEJ-UHFFFAOYSA-N 0 3 315.413 3.820 20 10 DHCDHN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000756532646 1022811927 /nfs/dbraw/zinc/81/19/27/1022811927.db2.gz CTYUVSRFXJSSJB-HNNXBMFYSA-N 0 3 314.429 3.880 20 10 DHCDHN c1oc2ccccc2c1CNCc1ccc(N2CCOCC2)cc1 ZINC000114509012 1022841366 /nfs/dbraw/zinc/84/13/66/1022841366.db2.gz DVGUBVMSVDMDCW-UHFFFAOYSA-N 0 3 322.408 3.559 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000768162064 1022906848 /nfs/dbraw/zinc/90/68/48/1022906848.db2.gz KGVAPDDWDAUUQL-WMZOPIPTSA-N 0 3 301.430 3.730 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000768162064 1022906864 /nfs/dbraw/zinc/90/68/64/1022906864.db2.gz KGVAPDDWDAUUQL-WMZOPIPTSA-N 0 3 301.430 3.730 20 10 DHCDHN Cc1cc([C@@H]2CCCN2Cc2cc3c(cc2O)CCCC3)on1 ZINC000768439336 1022968375 /nfs/dbraw/zinc/96/83/75/1022968375.db2.gz KJXKIODIDXZJCB-KRWDZBQOSA-N 0 3 312.413 3.905 20 10 DHCDHN CCC[N@H+](Cc1ccc(OC)cc1)Cc1c([O-])cccc1OC ZINC000768470903 1022976692 /nfs/dbraw/zinc/97/66/92/1022976692.db2.gz MLLZBHINRWLWII-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])cccc1OC ZINC000768470903 1022976703 /nfs/dbraw/zinc/97/67/03/1022976703.db2.gz MLLZBHINRWLWII-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN Cc1ccc(O)c(CN2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000768919067 1023055645 /nfs/dbraw/zinc/05/56/45/1023055645.db2.gz PDGQMODEWOICJI-SFHVURJKSA-N 0 3 321.424 3.924 20 10 DHCDHN CCOc1ccc(CN2CCOc3ccccc3[C@H]2C)c(O)c1 ZINC000768932008 1023059252 /nfs/dbraw/zinc/05/92/52/1023059252.db2.gz YQQFSRFZBXPYTA-CQSZACIVSA-N 0 3 313.397 3.747 20 10 DHCDHN C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccccc1[O-] ZINC000759827190 1023081209 /nfs/dbraw/zinc/08/12/09/1023081209.db2.gz GSKOJDSSAOHCCE-LBPRGKRZSA-N 0 3 320.230 3.876 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000769192468 1023090291 /nfs/dbraw/zinc/09/02/91/1023090291.db2.gz LDIUHYJOQKPAAS-UHFFFAOYSA-N 0 3 305.805 3.729 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000769192468 1023090301 /nfs/dbraw/zinc/09/03/01/1023090301.db2.gz LDIUHYJOQKPAAS-UHFFFAOYSA-N 0 3 305.805 3.729 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000769339526 1023128111 /nfs/dbraw/zinc/12/81/11/1023128111.db2.gz RAPGFZWJKWNCPQ-UHFFFAOYSA-N 0 3 311.425 3.955 20 10 DHCDHN CC(C)(C)C[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769338624 1023129095 /nfs/dbraw/zinc/12/90/95/1023129095.db2.gz RRKVFLFTESFWKB-UHFFFAOYSA-N 0 3 313.441 3.900 20 10 DHCDHN CC(C)(C)C[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769338624 1023129101 /nfs/dbraw/zinc/12/91/01/1023129101.db2.gz RRKVFLFTESFWKB-UHFFFAOYSA-N 0 3 313.441 3.900 20 10 DHCDHN CCCO[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769384284 1023137418 /nfs/dbraw/zinc/13/74/18/1023137418.db2.gz NETDYFNEWBWBRW-INIZCTEOSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCO[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769384284 1023137422 /nfs/dbraw/zinc/13/74/22/1023137422.db2.gz NETDYFNEWBWBRW-INIZCTEOSA-N 0 3 307.434 3.572 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c([O-])c1 ZINC000769537191 1023175649 /nfs/dbraw/zinc/17/56/49/1023175649.db2.gz IOKVIPNBQJFAMO-SFHVURJKSA-N 0 3 314.429 3.857 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccn2C)c([O-])c1 ZINC000769537191 1023175655 /nfs/dbraw/zinc/17/56/55/1023175655.db2.gz IOKVIPNBQJFAMO-SFHVURJKSA-N 0 3 314.429 3.857 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C23CCC3)c([O-])c1 ZINC000770352454 1023305036 /nfs/dbraw/zinc/30/50/36/1023305036.db2.gz NWRKERXYBLFSIP-QZTJIDSGSA-N 0 3 319.445 3.570 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H]2C[C@@H](OCC)C23CCC3)c([O-])c1 ZINC000770352454 1023305044 /nfs/dbraw/zinc/30/50/44/1023305044.db2.gz NWRKERXYBLFSIP-QZTJIDSGSA-N 0 3 319.445 3.570 20 10 DHCDHN COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC000770511035 1023316003 /nfs/dbraw/zinc/31/60/03/1023316003.db2.gz WBAXNYAFLRAFNU-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC000770511035 1023316008 /nfs/dbraw/zinc/31/60/08/1023316008.db2.gz WBAXNYAFLRAFNU-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)cc1 ZINC000772199233 1023532040 /nfs/dbraw/zinc/53/20/40/1023532040.db2.gz MVHAIQUASZYYNK-SFHVURJKSA-N 0 3 319.832 3.991 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)cc1 ZINC000772199233 1023532044 /nfs/dbraw/zinc/53/20/44/1023532044.db2.gz MVHAIQUASZYYNK-SFHVURJKSA-N 0 3 319.832 3.991 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1C ZINC000746667149 1023781152 /nfs/dbraw/zinc/78/11/52/1023781152.db2.gz VYLFOESSODUTEQ-LJQANCHMSA-N 0 3 317.404 3.785 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1C ZINC000746667149 1023781166 /nfs/dbraw/zinc/78/11/66/1023781166.db2.gz VYLFOESSODUTEQ-LJQANCHMSA-N 0 3 317.404 3.785 20 10 DHCDHN COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000787332773 1023784497 /nfs/dbraw/zinc/78/44/97/1023784497.db2.gz ORIKMIVFXHGVQJ-INIZCTEOSA-N 0 3 305.805 3.865 20 10 DHCDHN COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000787332773 1023784501 /nfs/dbraw/zinc/78/45/01/1023784501.db2.gz ORIKMIVFXHGVQJ-INIZCTEOSA-N 0 3 305.805 3.865 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccnc(OC)c2)cc1 ZINC000788544127 1023902677 /nfs/dbraw/zinc/90/26/77/1023902677.db2.gz CTMSUXIGXAPFIZ-HNNXBMFYSA-N 0 3 313.445 3.787 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c([O-])c1 ZINC000788629451 1023916695 /nfs/dbraw/zinc/91/66/95/1023916695.db2.gz VAQXDQLVRBBGBL-MRXNPFEDSA-N 0 3 305.462 3.993 20 10 DHCDHN COC[C@H](NCc1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000194101431 1023987498 /nfs/dbraw/zinc/98/74/98/1023987498.db2.gz BCGNJUPLAQQYMV-INIZCTEOSA-N 0 3 321.804 3.532 20 10 DHCDHN Cc1ccc(C[NH2+]CC2(c3ccccc3)CCOCC2)c([O-])c1 ZINC000876929159 1033183869 /nfs/dbraw/zinc/18/38/69/1033183869.db2.gz UONWMGCRWRYADB-UHFFFAOYSA-N 0 3 311.425 3.539 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000876968801 1033195466 /nfs/dbraw/zinc/19/54/66/1033195466.db2.gz UBUDBNSEPAYECP-ICSRJNTNSA-N 0 3 311.425 3.958 20 10 DHCDHN COc1cc(Br)cc(C[NH2+]CCC=C(C)C)c1[O-] ZINC000790990652 1024412117 /nfs/dbraw/zinc/41/21/17/1024412117.db2.gz HTDIJIWZQQUYRY-UHFFFAOYSA-N 0 3 314.223 3.609 20 10 DHCDHN COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(C)cc3[O-])c2c1 ZINC000877035856 1033211829 /nfs/dbraw/zinc/21/18/29/1033211829.db2.gz AYLUUILHFJFJFS-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000271599147 1024547061 /nfs/dbraw/zinc/54/70/61/1024547061.db2.gz ZKZBJDZLZCVTCV-XJKSGUPXSA-N 0 3 315.465 3.796 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccsc2)c1[O-] ZINC000228671840 1024604026 /nfs/dbraw/zinc/60/40/26/1024604026.db2.gz QANHTDPHKCSPKL-JTQLQIEISA-N 0 3 311.834 3.837 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCc2cccc(C)c2)c1[O-] ZINC000228672956 1024604450 /nfs/dbraw/zinc/60/44/50/1024604450.db2.gz MLCDXYXPIANYEA-UHFFFAOYSA-N 0 3 305.805 3.695 20 10 DHCDHN COc1ccccc1[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000317699529 1024614204 /nfs/dbraw/zinc/61/42/04/1024614204.db2.gz DBWCEIGHIUZPSM-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000317699529 1024614211 /nfs/dbraw/zinc/61/42/11/1024614211.db2.gz DBWCEIGHIUZPSM-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN CCc1ccc([C@@H]2CN(Cc3cc(C)ccc3O)CCO2)cc1 ZINC000792191388 1024646735 /nfs/dbraw/zinc/64/67/35/1024646735.db2.gz ZNAYRFFCXCAOFF-FQEVSTJZSA-N 0 3 311.425 3.837 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000877068359 1033227197 /nfs/dbraw/zinc/22/71/97/1033227197.db2.gz POFWPFGZUMYTHW-DIFFPNOSSA-N 0 3 323.795 3.705 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000877068360 1033227729 /nfs/dbraw/zinc/22/77/29/1033227729.db2.gz POFWPFGZUMYTHW-GTNSWQLSSA-N 0 3 323.795 3.705 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCF)C2)c1[O-] ZINC000689885868 1024696981 /nfs/dbraw/zinc/69/69/81/1024696981.db2.gz LHWGULRSGVPNGH-LLVKDONJSA-N 0 3 301.789 3.626 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCF)C2)c1[O-] ZINC000689885868 1024696985 /nfs/dbraw/zinc/69/69/85/1024696985.db2.gz LHWGULRSGVPNGH-LLVKDONJSA-N 0 3 301.789 3.626 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792900120 1024825549 /nfs/dbraw/zinc/82/55/49/1024825549.db2.gz DSIIBWCTLDCKAB-CABCVRRESA-N 0 3 313.272 3.768 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc[nH]1 ZINC000793032331 1024864664 /nfs/dbraw/zinc/86/46/64/1024864664.db2.gz ZTCJEBJADHQDTD-NSHDSACASA-N 0 3 311.351 3.950 20 10 DHCDHN COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)c([O-])c1 ZINC000793387290 1025029314 /nfs/dbraw/zinc/02/93/14/1025029314.db2.gz BVKIKCCLTRSVKQ-UHFFFAOYSA-N 0 3 323.392 3.852 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2SC)c([O-])c1 ZINC000793387460 1025029938 /nfs/dbraw/zinc/02/99/38/1025029938.db2.gz FBSCDDRBSKCPKV-ZDUSSCGKSA-N 0 3 317.454 3.844 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000318990459 1025126406 /nfs/dbraw/zinc/12/64/06/1025126406.db2.gz AUWTTYMAUJWOKO-NSHDSACASA-N 0 3 316.788 3.777 20 10 DHCDHN Cc1ccccc1-n1nccc1CNCc1ccc(N(C)C)cc1 ZINC000279811668 1025274180 /nfs/dbraw/zinc/27/41/80/1025274180.db2.gz FSRBDNBCVSBJGW-UHFFFAOYSA-N 0 3 320.440 3.537 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(C)cc1[O-] ZINC000279933179 1025513192 /nfs/dbraw/zinc/51/31/92/1025513192.db2.gz AWHMHYXNNHQRIP-FUHWJXTLSA-N 0 3 303.377 3.614 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000279949880 1025515688 /nfs/dbraw/zinc/51/56/88/1025515688.db2.gz BQVHBHMOPGISNQ-GOSISDBHSA-N 0 3 312.413 3.900 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805749232 1025657565 /nfs/dbraw/zinc/65/75/65/1025657565.db2.gz WWTGLVQNWVSVPO-DOTOQJQBSA-N 0 3 319.832 3.690 20 10 DHCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCCC3)cc2)s1 ZINC000179132779 1025790256 /nfs/dbraw/zinc/79/02/56/1025790256.db2.gz RXWKBBKLLLJRPY-ZDUSSCGKSA-N 0 3 301.459 3.903 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180098 1025832202 /nfs/dbraw/zinc/83/22/02/1025832202.db2.gz JUIZUJDQKULYCO-YOEHRIQHSA-N 0 3 319.832 3.862 20 10 DHCDHN CCOc1cccc(CNCc2cccc(Cl)c2OC)c1O ZINC000897483653 1025907351 /nfs/dbraw/zinc/90/73/51/1025907351.db2.gz SEXYENWKVCTYCL-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN c1nn2ccccc2c1CNCc1ccc(N2CCCCC2)cc1 ZINC000729679394 1025922241 /nfs/dbraw/zinc/92/22/41/1025922241.db2.gz HLAPBFPCVFNSRX-UHFFFAOYSA-N 0 3 320.440 3.614 20 10 DHCDHN CC[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289703526 1026139100 /nfs/dbraw/zinc/13/91/00/1026139100.db2.gz IULPBRJCEWWJHJ-MAUKXSAKSA-N 0 3 317.454 3.983 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000289914947 1026230158 /nfs/dbraw/zinc/23/01/58/1026230158.db2.gz VGDPVULMWOTHLK-GOSISDBHSA-N 0 3 312.413 3.913 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000289914947 1026230171 /nfs/dbraw/zinc/23/01/71/1026230171.db2.gz VGDPVULMWOTHLK-GOSISDBHSA-N 0 3 312.413 3.913 20 10 DHCDHN CN(CCC[NH2+]Cc1cc(Cl)ccc1[O-])Cc1ccccc1 ZINC000237081019 1026310244 /nfs/dbraw/zinc/31/02/44/1026310244.db2.gz ZQVKDXABIWKDLU-UHFFFAOYSA-N 0 3 318.848 3.657 20 10 DHCDHN Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808693968 1026349500 /nfs/dbraw/zinc/34/95/00/1026349500.db2.gz WKZZKEFJQFRYTH-JTQLQIEISA-N 0 3 308.809 3.852 20 10 DHCDHN Cc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808694401 1026350111 /nfs/dbraw/zinc/35/01/11/1026350111.db2.gz CKMGMCBJSWMGJI-ZDUSSCGKSA-N 0 3 304.821 3.951 20 10 DHCDHN Cc1nccn1CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808677860 1026355439 /nfs/dbraw/zinc/35/54/39/1026355439.db2.gz GADSKKBGVBXPGY-LBPRGKRZSA-N 0 3 307.825 3.600 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2ccccc2)c1[O-] ZINC000808696641 1026374283 /nfs/dbraw/zinc/37/42/83/1026374283.db2.gz RDVKVBIDRFTVKL-BLLLJJGKSA-N 0 3 305.805 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1[O-] ZINC000808701612 1026375788 /nfs/dbraw/zinc/37/57/88/1026375788.db2.gz CNTHUDWMHOERKM-GOPGUHFVSA-N 0 3 317.816 3.663 20 10 DHCDHN CCC[C@H](NCc1cc(C)cc(OC)c1O)c1ccccn1 ZINC000894235030 1026562146 /nfs/dbraw/zinc/56/21/46/1026562146.db2.gz PADDWJCJBNUOST-HNNXBMFYSA-N 0 3 300.402 3.735 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(C)cc1[O-] ZINC000280028790 1026575898 /nfs/dbraw/zinc/57/58/98/1026575898.db2.gz HZDTVLHWRJIUBW-CVEARBPZSA-N 0 3 302.418 3.637 20 10 DHCDHN Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809701568 1026589116 /nfs/dbraw/zinc/58/91/16/1026589116.db2.gz GVZJUTRCSQZNII-FZKQIMNGSA-N 0 3 319.832 3.874 20 10 DHCDHN CC[C@@H](NCc1cn2c(cccc2C)n1)c1ccc(C)cc1O ZINC000280149246 1026600868 /nfs/dbraw/zinc/60/08/68/1026600868.db2.gz QCJPWCUJEDAOMI-QGZVFWFLSA-N 0 3 309.413 3.898 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CCSC(C)C)c1[O-] ZINC000809722031 1026604373 /nfs/dbraw/zinc/60/43/73/1026604373.db2.gz KYHIFYIWAYPTNL-UHFFFAOYSA-N 0 3 318.280 3.694 20 10 DHCDHN CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(C)cc1[O-] ZINC000280189210 1026607106 /nfs/dbraw/zinc/60/71/06/1026607106.db2.gz SDQHSKPJUSVBPF-QGZVFWFLSA-N 0 3 318.461 3.534 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000280210514 1026611781 /nfs/dbraw/zinc/61/17/81/1026611781.db2.gz UDOAUZBAFUKRQE-INIZCTEOSA-N 0 3 315.413 3.959 20 10 DHCDHN CN(C)CC[N@H+](Cc1cccs1)Cc1cccc(Cl)c1[O-] ZINC000809745579 1026613117 /nfs/dbraw/zinc/61/31/17/1026613117.db2.gz CLVOWYRQTNHXBO-UHFFFAOYSA-N 0 3 324.877 3.671 20 10 DHCDHN CN(C)CC[N@@H+](Cc1cccs1)Cc1cccc(Cl)c1[O-] ZINC000809745579 1026613123 /nfs/dbraw/zinc/61/31/23/1026613123.db2.gz CLVOWYRQTNHXBO-UHFFFAOYSA-N 0 3 324.877 3.671 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000280227168 1026618464 /nfs/dbraw/zinc/61/84/64/1026618464.db2.gz VCFBZEDNEDUKQL-INIZCTEOSA-N 0 3 313.397 3.713 20 10 DHCDHN CCN(Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1cccnc1 ZINC000809765319 1026620041 /nfs/dbraw/zinc/62/00/41/1026620041.db2.gz MQIYIUUUNVYKIR-CQSZACIVSA-N 0 3 301.409 3.870 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000280302095 1026632155 /nfs/dbraw/zinc/63/21/55/1026632155.db2.gz ZYSKRRFFSZYABX-WMZOPIPTSA-N 0 3 303.377 3.614 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000810178988 1026699275 /nfs/dbraw/zinc/69/92/75/1026699275.db2.gz CDDMPBGFYUUTCV-HNNXBMFYSA-N 0 3 324.424 3.760 20 10 DHCDHN CCCN(CC)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000810263067 1026722191 /nfs/dbraw/zinc/72/21/91/1026722191.db2.gz KSCKOWYKBGVYQH-IPYPFGDCSA-N 0 3 308.441 3.790 20 10 DHCDHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)[C@H]1[C@H]1CCCO1 ZINC000811510690 1027026645 /nfs/dbraw/zinc/02/66/45/1027026645.db2.gz MZJJXZZXTYKHIM-MOPGFXCFSA-N 0 3 311.425 3.935 20 10 DHCDHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H]1[C@H]1CCCO1 ZINC000811510690 1027026651 /nfs/dbraw/zinc/02/66/51/1027026651.db2.gz MZJJXZZXTYKHIM-MOPGFXCFSA-N 0 3 311.425 3.935 20 10 DHCDHN C[C@@H]([NH2+]Cc1cnc(N(C)C)c2ccccc12)c1ccccc1[O-] ZINC000931555233 1027169671 /nfs/dbraw/zinc/16/96/71/1027169671.db2.gz VLISRCGFAXERIO-CQSZACIVSA-N 0 3 321.424 3.857 20 10 DHCDHN C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccccc1[O-] ZINC000157625362 1027331533 /nfs/dbraw/zinc/33/15/33/1027331533.db2.gz GIURBACPBZEOMH-GJYPPUQNSA-N 0 3 310.441 3.563 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2cnn(CC)c2)cc1 ZINC000295824453 1027445013 /nfs/dbraw/zinc/44/50/13/1027445013.db2.gz CAGCVDFBMLQBKH-CABCVRRESA-N 0 3 300.450 3.771 20 10 DHCDHN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296470222 1027648614 /nfs/dbraw/zinc/64/86/14/1027648614.db2.gz OJTHKPIRHNHWHB-LRDDRELGSA-N 0 3 313.445 3.990 20 10 DHCDHN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000296634738 1027691097 /nfs/dbraw/zinc/69/10/97/1027691097.db2.gz BOENPXLERXLWAT-ZIAGYGMSSA-N 0 3 322.449 3.736 20 10 DHCDHN Cc1ccc(N2CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000778985456 1027718522 /nfs/dbraw/zinc/71/85/22/1027718522.db2.gz USSONRYOTDVQPH-UHFFFAOYSA-N 0 3 314.404 3.552 20 10 DHCDHN Cc1ccc(N2CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000778985456 1027718537 /nfs/dbraw/zinc/71/85/37/1027718537.db2.gz USSONRYOTDVQPH-UHFFFAOYSA-N 0 3 314.404 3.552 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000813884341 1027749845 /nfs/dbraw/zinc/74/98/45/1027749845.db2.gz TVIQRGZAUZTPGH-GJZGRUSLSA-N 0 3 314.404 3.769 20 10 DHCDHN C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000779004615 1027757789 /nfs/dbraw/zinc/75/77/89/1027757789.db2.gz XODRXFHBEHOHSW-INIZCTEOSA-N 0 3 322.452 3.808 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000364621025 1027857039 /nfs/dbraw/zinc/85/70/39/1027857039.db2.gz GIDXNIKYJMJJQV-QAPCUYQASA-N 0 3 301.386 3.818 20 10 DHCDHN COc1ccc(C(C)(C)NCc2ccc3c(c2)CCO3)cc1F ZINC000527782091 1027882323 /nfs/dbraw/zinc/88/23/23/1027882323.db2.gz SNRCCXYSWMITNC-UHFFFAOYSA-N 0 3 315.388 3.794 20 10 DHCDHN Cc1ccoc1CNCc1cc(Br)cc(C)c1O ZINC000814173445 1027909083 /nfs/dbraw/zinc/90/90/83/1027909083.db2.gz PVMPWYNPWYUXQE-UHFFFAOYSA-N 0 3 310.191 3.654 20 10 DHCDHN CCOc1ccc(O)c(CN2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000814177525 1027913575 /nfs/dbraw/zinc/91/35/75/1027913575.db2.gz FUHQKAHEQNOEKB-AWEZNQCLSA-N 0 3 313.397 3.574 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(C)cc1[O-] ZINC000527999217 1028025840 /nfs/dbraw/zinc/02/58/40/1028025840.db2.gz FSOHQKXENUXRFA-AEFFLSMTSA-N 0 3 302.462 3.758 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C2CC2)cn1 ZINC000528042617 1028058165 /nfs/dbraw/zinc/05/81/65/1028058165.db2.gz FZWGTXWHTIPCED-BBATYDOGSA-N 0 3 316.376 3.737 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1ccc(C)cc1[O-] ZINC000366472211 1028084094 /nfs/dbraw/zinc/08/40/94/1028084094.db2.gz KZNDOIRGBFMRCL-MDASCCDHSA-N 0 3 311.425 3.962 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000367574735 1028206648 /nfs/dbraw/zinc/20/66/48/1028206648.db2.gz IVSJGZZWEMSXLH-CSJMPQKXSA-N 0 3 317.360 3.713 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368040186 1028288463 /nfs/dbraw/zinc/28/84/63/1028288463.db2.gz HZRVSMUOBIMSNO-ZFWWWQNUSA-N 0 3 313.401 3.593 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368040186 1028288482 /nfs/dbraw/zinc/28/84/82/1028288482.db2.gz HZRVSMUOBIMSNO-ZFWWWQNUSA-N 0 3 313.401 3.593 20 10 DHCDHN Cc1cc(CN2CC(c3nc4ccccc4[nH]3)C2)ccc1N(C)C ZINC000815073325 1028351076 /nfs/dbraw/zinc/35/10/76/1028351076.db2.gz JQGSWXTZAAEAGN-UHFFFAOYSA-N 0 3 320.440 3.537 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CCCC1 ZINC000815554077 1028539385 /nfs/dbraw/zinc/53/93/85/1028539385.db2.gz RAQUAJZQSGWYDV-FQEVSTJZSA-N 0 3 324.468 3.752 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369878254 1028540893 /nfs/dbraw/zinc/54/08/93/1028540893.db2.gz OWVHLWKADCBOTI-MJGOQNOKSA-N 0 3 315.388 3.576 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369878254 1028540899 /nfs/dbraw/zinc/54/08/99/1028540899.db2.gz OWVHLWKADCBOTI-MJGOQNOKSA-N 0 3 315.388 3.576 20 10 DHCDHN C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N(C)C ZINC000815575988 1028552721 /nfs/dbraw/zinc/55/27/21/1028552721.db2.gz GOROEXUHQOCWJT-LPHOPBHVSA-N 0 3 312.457 3.606 20 10 DHCDHN C[C@H](O)C[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815614824 1028569519 /nfs/dbraw/zinc/56/95/19/1028569519.db2.gz BRYYLGOHWJLTQA-BXWFABGCSA-N 0 3 313.441 3.815 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c([O-])c1 ZINC000815623481 1028575302 /nfs/dbraw/zinc/57/53/02/1028575302.db2.gz YTHLVSRNLXDYSY-AEFFLSMTSA-N 0 3 313.441 3.653 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648076 1028592930 /nfs/dbraw/zinc/59/29/30/1028592930.db2.gz DCEHXJZEGNQZCS-RDJZCZTQSA-N 0 3 305.462 3.848 20 10 DHCDHN CCN(CC)c1ccc(CN2CCC[C@@](CC)(CO)C2)cc1F ZINC000779218228 1028727060 /nfs/dbraw/zinc/72/70/60/1028727060.db2.gz WKHGGZOIWHTJDY-LJQANCHMSA-N 0 3 322.468 3.656 20 10 DHCDHN COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000371869298 1028771152 /nfs/dbraw/zinc/77/11/52/1028771152.db2.gz GCHYDGJDBBQCNR-BDJLRTHQSA-N 0 3 317.360 3.714 20 10 DHCDHN [O-]c1c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)ccc2ccccc21 ZINC000816494482 1028900265 /nfs/dbraw/zinc/90/02/65/1028900265.db2.gz NFIFDHBPFFAOBZ-LJQANCHMSA-N 0 3 324.468 3.996 20 10 DHCDHN [O-]c1c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)ccc2ccccc21 ZINC000816494482 1028900276 /nfs/dbraw/zinc/90/02/76/1028900276.db2.gz NFIFDHBPFFAOBZ-LJQANCHMSA-N 0 3 324.468 3.996 20 10 DHCDHN C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548369 1028928887 /nfs/dbraw/zinc/92/88/87/1028928887.db2.gz FMFNZQYMAMSZLJ-IYBDPMFKSA-N 0 3 312.457 3.898 20 10 DHCDHN CCOc1ncccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816561948 1028945320 /nfs/dbraw/zinc/94/53/20/1028945320.db2.gz RQPBXVJJBQKJHX-UHFFFAOYSA-N 0 3 308.381 3.629 20 10 DHCDHN COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000389798769 1029065936 /nfs/dbraw/zinc/06/59/36/1029065936.db2.gz YSCYTJAJLVCTCD-ZDUSSCGKSA-N 0 3 303.377 3.603 20 10 DHCDHN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000389798769 1029065954 /nfs/dbraw/zinc/06/59/54/1029065954.db2.gz YSCYTJAJLVCTCD-ZDUSSCGKSA-N 0 3 303.377 3.603 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000155358970 1029226093 /nfs/dbraw/zinc/22/60/93/1029226093.db2.gz JTFHZOYWKOPTQD-LSDHHAIUSA-N 0 3 300.402 3.528 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972376 1029309554 /nfs/dbraw/zinc/30/95/54/1029309554.db2.gz WKRHKOLAPGQWOT-CHIMOYNISA-N 0 3 317.260 3.880 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(C(F)(F)F)cc1[O-] ZINC000818616363 1029420772 /nfs/dbraw/zinc/42/07/72/1029420772.db2.gz VJVQYNLXYAVOSH-HZSPNIEDSA-N 0 3 316.367 3.722 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000374710125 1029442299 /nfs/dbraw/zinc/44/22/99/1029442299.db2.gz BUYCRSQPANTYCH-BOFPYLFWSA-N 0 3 314.404 3.627 20 10 DHCDHN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000530215875 1029784984 /nfs/dbraw/zinc/78/49/84/1029784984.db2.gz JVPFICWXZCAEPV-LKFCYVNXSA-N 0 3 315.244 3.634 20 10 DHCDHN CCC(CC)(C[NH2+]Cc1c([O-])cccc1OC)C(F)(F)F ZINC000865757447 1030006317 /nfs/dbraw/zinc/00/63/17/1030006317.db2.gz RYGFZNVYTIEZFK-UHFFFAOYSA-N 0 3 305.340 3.859 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccnn1CC1CCC1 ZINC000924573262 1030126699 /nfs/dbraw/zinc/12/66/99/1030126699.db2.gz GWHYKWPEDSRGND-HNNXBMFYSA-N 0 3 312.461 3.600 20 10 DHCDHN C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866409552 1030286500 /nfs/dbraw/zinc/28/65/00/1030286500.db2.gz NHXSTRPTXJXZQA-BZNIZROVSA-N 0 3 323.795 3.959 20 10 DHCDHN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866449092 1030300518 /nfs/dbraw/zinc/30/05/18/1030300518.db2.gz RAUOZLUWJHQQNG-JLJPHGGASA-N 0 3 324.415 3.594 20 10 DHCDHN C[C@@H]([NH2+]CCSCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000866543133 1030362014 /nfs/dbraw/zinc/36/20/14/1030362014.db2.gz MEIUBYNKAQDDMY-SECBINFHSA-N 0 3 311.344 3.868 20 10 DHCDHN C[C@H]([NH2+]CCSCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000866543135 1030363167 /nfs/dbraw/zinc/36/31/67/1030363167.db2.gz MEIUBYNKAQDDMY-VIFPVBQESA-N 0 3 311.344 3.868 20 10 DHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000866612972 1030402504 /nfs/dbraw/zinc/40/25/04/1030402504.db2.gz QAZNJUPKUNANDY-HOTGVXAUSA-N 0 3 312.461 3.822 20 10 DHCDHN CN(C)c1ccc(CN(C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824691126 1030613829 /nfs/dbraw/zinc/61/38/29/1030613829.db2.gz UJYHJNPSSLXWBZ-GOSISDBHSA-N 0 3 318.848 3.571 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1[O-] ZINC000824772771 1030630940 /nfs/dbraw/zinc/63/09/40/1030630940.db2.gz HVLXPGQZHYFVMM-LBPRGKRZSA-N 0 3 324.635 3.728 20 10 DHCDHN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824888544 1030667651 /nfs/dbraw/zinc/66/76/51/1030667651.db2.gz FZEIQLCRRJANHG-CQSZACIVSA-N 0 3 310.869 3.518 20 10 DHCDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824888544 1030667662 /nfs/dbraw/zinc/66/76/62/1030667662.db2.gz FZEIQLCRRJANHG-CQSZACIVSA-N 0 3 310.869 3.518 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C2CCC(OC(F)F)CC2)c1[O-] ZINC000825143590 1030735968 /nfs/dbraw/zinc/73/59/68/1030735968.db2.gz GWVZBYSQEVWQTD-UHFFFAOYSA-N 0 3 319.779 3.994 20 10 DHCDHN COc1cc(Cl)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000292222396 1030888529 /nfs/dbraw/zinc/88/85/29/1030888529.db2.gz AGXJXIXCVXCCOE-OCCSQVGLSA-N 0 3 317.763 3.531 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000926906730 1030982424 /nfs/dbraw/zinc/98/24/24/1030982424.db2.gz YTRAPBCUSSERNX-SLEUVZQESA-N 0 3 317.351 3.851 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1nc3c(s1)CCCC3)CC2 ZINC000926914582 1030985616 /nfs/dbraw/zinc/98/56/16/1030985616.db2.gz AULUDPCUYZNFBZ-ZDUSSCGKSA-N 0 3 300.427 3.505 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000926960345 1031020020 /nfs/dbraw/zinc/02/00/20/1031020020.db2.gz FMCMECFMADWRJM-UKRRQHHQSA-N 0 3 318.383 3.624 20 10 DHCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)n1 ZINC000927054407 1031053554 /nfs/dbraw/zinc/05/35/54/1031053554.db2.gz XZCOJIIRTGRTQH-MJBXVCDLSA-N 0 3 315.417 3.633 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(c3ccccc3)CCCO1)CC2 ZINC000927118747 1031103058 /nfs/dbraw/zinc/10/30/58/1031103058.db2.gz HGPPFASNSKXYHO-YLJYHZDGSA-N 0 3 309.409 3.675 20 10 DHCDHN CCc1onc(C)c1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000927137657 1031112327 /nfs/dbraw/zinc/11/23/27/1031112327.db2.gz AGOWSQAXMXQABZ-NOZJJQNGSA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1onc(C)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000927137657 1031112335 /nfs/dbraw/zinc/11/23/35/1031112335.db2.gz AGOWSQAXMXQABZ-NOZJJQNGSA-N 0 3 304.365 3.728 20 10 DHCDHN CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000845928204 1031779852 /nfs/dbraw/zinc/77/98/52/1031779852.db2.gz AKTUVTFOBRMJFD-AWEZNQCLSA-N 0 3 307.434 3.630 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000845992506 1031795496 /nfs/dbraw/zinc/79/54/96/1031795496.db2.gz NABHPLQNDMQDIP-OAHLLOKOSA-N 0 3 300.358 3.850 20 10 DHCDHN CCOc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c([O-])c1 ZINC000846031847 1031820127 /nfs/dbraw/zinc/82/01/27/1031820127.db2.gz CPIMRHZMQPXTJY-HUUCEWRRSA-N 0 3 301.789 3.585 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H]2COc3c2ccc(C)c3C)c1O ZINC000846150354 1031885886 /nfs/dbraw/zinc/88/58/86/1031885886.db2.gz ZMRAAGQKLMVDBK-CJNGLKHVSA-N 0 3 313.397 3.802 20 10 DHCDHN C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142527474 1031910134 /nfs/dbraw/zinc/91/01/34/1031910134.db2.gz WAHDDBYPNQXKQI-LSDHHAIUSA-N 0 3 324.415 3.509 20 10 DHCDHN C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142527474 1031910147 /nfs/dbraw/zinc/91/01/47/1031910147.db2.gz WAHDDBYPNQXKQI-LSDHHAIUSA-N 0 3 324.415 3.509 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146919 1031910391 /nfs/dbraw/zinc/91/03/91/1031910391.db2.gz SWOKXANHXLCXMC-QWHCGFSZSA-N 0 3 303.406 3.590 20 10 DHCDHN Cc1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1 ZINC000877570641 1033363284 /nfs/dbraw/zinc/36/32/84/1033363284.db2.gz LNXJKLIHLKKBKR-CYBMUJFWSA-N 0 3 307.315 3.895 20 10 DHCDHN Cc1ccc(CNCc2cccc(OC3CC3)c2F)c(O)c1 ZINC000877626986 1033388359 /nfs/dbraw/zinc/38/83/59/1033388359.db2.gz FKCYGJQDYHRKBR-UHFFFAOYSA-N 0 3 301.361 3.671 20 10 DHCDHN Cc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccco2)c(O)c1 ZINC000877634463 1033390996 /nfs/dbraw/zinc/39/09/96/1033390996.db2.gz QAFHQMJOILXROK-SFHVURJKSA-N 0 3 313.397 3.647 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(-c2ccnn2C)c1 ZINC000877758366 1033434464 /nfs/dbraw/zinc/43/44/64/1033434464.db2.gz WIZVHYKNIKNLII-HNNXBMFYSA-N 0 3 321.424 3.952 20 10 DHCDHN C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccccc1O ZINC000877756502 1033434974 /nfs/dbraw/zinc/43/49/74/1033434974.db2.gz NJCUOCXIOITVIK-ABAIWWIYSA-N 0 3 304.415 3.551 20 10 DHCDHN C[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccccc1[O-] ZINC000877756502 1033434977 /nfs/dbraw/zinc/43/49/77/1033434977.db2.gz NJCUOCXIOITVIK-ABAIWWIYSA-N 0 3 304.415 3.551 20 10 DHCDHN CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000877834952 1033482463 /nfs/dbraw/zinc/48/24/63/1033482463.db2.gz BSBCWGLWIAGFJD-GOSISDBHSA-N 0 3 311.425 3.652 20 10 DHCDHN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000877834952 1033482472 /nfs/dbraw/zinc/48/24/72/1033482472.db2.gz BSBCWGLWIAGFJD-GOSISDBHSA-N 0 3 311.425 3.652 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2ncsc2c1 ZINC000777222396 1033728179 /nfs/dbraw/zinc/72/81/79/1033728179.db2.gz MUEUIVIYEXSYEL-JTQLQIEISA-N 0 3 302.374 3.992 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2ncsc2c1 ZINC000777222397 1033729217 /nfs/dbraw/zinc/72/92/17/1033729217.db2.gz MUEUIVIYEXSYEL-SNVBAGLBSA-N 0 3 302.374 3.992 20 10 DHCDHN Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649707 1034069553 /nfs/dbraw/zinc/06/95/53/1034069553.db2.gz SUVOHPCWUWBKIG-CABCVRRESA-N 0 3 312.413 3.687 20 10 DHCDHN CC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863547995 1034126605 /nfs/dbraw/zinc/12/66/05/1034126605.db2.gz SZDVOEKJWHVARL-BREBYQMCSA-N 0 3 317.260 3.880 20 10 DHCDHN CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183423674 1034386233 /nfs/dbraw/zinc/38/62/33/1034386233.db2.gz SZVMOYQYUUAGFW-AWEZNQCLSA-N 0 3 312.413 3.982 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000183445279 1034388425 /nfs/dbraw/zinc/38/84/25/1034388425.db2.gz YEUPDFNRLHTWFF-HUUCEWRRSA-N 0 3 314.404 3.708 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1[O-] ZINC000183539078 1034397501 /nfs/dbraw/zinc/39/75/01/1034397501.db2.gz KKRWVVRQJJPFCJ-CQSZACIVSA-N 0 3 321.424 3.857 20 10 DHCDHN C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1[O-] ZINC000183538029 1034397563 /nfs/dbraw/zinc/39/75/63/1034397563.db2.gz DLSQXDHLYWWZHB-SECBINFHSA-N 0 3 316.348 3.761 20 10 DHCDHN COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183534880 1034397738 /nfs/dbraw/zinc/39/77/38/1034397738.db2.gz BVEUTFKGSPPDKY-ZIAGYGMSSA-N 0 3 301.386 3.519 20 10 DHCDHN COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183534845 1034397751 /nfs/dbraw/zinc/39/77/51/1034397751.db2.gz BVEUTFKGSPPDKY-KBPBESRZSA-N 0 3 301.386 3.519 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000183632500 1034408707 /nfs/dbraw/zinc/40/87/07/1034408707.db2.gz NZDBIKWUVQLIGW-QFYYESIMSA-N 0 3 309.768 3.569 20 10 DHCDHN CCCOc1ccc(CN(C)[C@H](C)c2cccnc2)c(O)c1 ZINC000183730548 1034417922 /nfs/dbraw/zinc/41/79/22/1034417922.db2.gz VQBICVSPAUUKCP-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)c([O-])c1 ZINC000183730548 1034417934 /nfs/dbraw/zinc/41/79/34/1034417934.db2.gz VQBICVSPAUUKCP-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)c([O-])c1 ZINC000183730548 1034417940 /nfs/dbraw/zinc/41/79/40/1034417940.db2.gz VQBICVSPAUUKCP-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccc(C)cc1[O-] ZINC000794802160 1034473492 /nfs/dbraw/zinc/47/34/92/1034473492.db2.gz MXGSKONPZPDBOK-GOSISDBHSA-N 0 3 323.440 3.940 20 10 DHCDHN CC[C@@H]([NH2+][C@H](COC)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794805565 1034491097 /nfs/dbraw/zinc/49/10/97/1034491097.db2.gz XGCDWAOABFEBAE-PKOBYXMFSA-N 0 3 313.441 3.999 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794805552 1034491499 /nfs/dbraw/zinc/49/14/99/1034491499.db2.gz XEUYIGMGNXGYHW-ACJLOTCBSA-N 0 3 315.461 3.723 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000184918516 1034512393 /nfs/dbraw/zinc/51/23/93/1034512393.db2.gz HYVRLZVELMXIKO-HWPZZCPQSA-N 0 3 309.768 3.569 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1ccc(C)cc1[O-] ZINC000794813104 1034520537 /nfs/dbraw/zinc/52/05/37/1034520537.db2.gz BXTNLSJNXKDJTC-HUUCEWRRSA-N 0 3 305.443 3.845 20 10 DHCDHN CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794816431 1034525573 /nfs/dbraw/zinc/52/55/73/1034525573.db2.gz KQZGYQPITYILET-SFHVURJKSA-N 0 3 315.461 3.724 20 10 DHCDHN CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(C)cc1[O-] ZINC000794817219 1034534178 /nfs/dbraw/zinc/53/41/78/1034534178.db2.gz NWTAAQXMSIIXAQ-WBVHZDCISA-N 0 3 305.462 3.930 20 10 DHCDHN Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000794830129 1034550425 /nfs/dbraw/zinc/55/04/25/1034550425.db2.gz ZEDQOERTFIGBGO-IAQYHMDHSA-N 0 3 300.377 3.615 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185783055 1034574670 /nfs/dbraw/zinc/57/46/70/1034574670.db2.gz QAKQTDVNKUEEQA-UONOGXRCSA-N 0 3 303.446 3.737 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1[O-] ZINC000186094130 1034597869 /nfs/dbraw/zinc/59/78/69/1034597869.db2.gz WEZYQRWXQWRGLY-IBGZPJMESA-N 0 3 321.424 3.878 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000186159509 1034605113 /nfs/dbraw/zinc/60/51/13/1034605113.db2.gz MHKIUXPEUIEZAD-DNVCBOLYSA-N 0 3 311.425 3.865 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000186159522 1034605197 /nfs/dbraw/zinc/60/51/97/1034605197.db2.gz MHKIUXPEUIEZAD-HNAYVOBHSA-N 0 3 311.425 3.865 20 10 DHCDHN CCN(C)c1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000773813736 1035479390 /nfs/dbraw/zinc/47/93/90/1035479390.db2.gz VZSVRAHOFFUCTA-GOSISDBHSA-N 0 3 314.477 3.753 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001180052867 1035576512 /nfs/dbraw/zinc/57/65/12/1035576512.db2.gz WEIGVBXWAGLEDE-DOTOQJQBSA-N 0 3 307.459 3.569 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001180052867 1035576521 /nfs/dbraw/zinc/57/65/21/1035576521.db2.gz WEIGVBXWAGLEDE-DOTOQJQBSA-N 0 3 307.459 3.569 20 10 DHCDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCC2 ZINC000774160085 1036205988 /nfs/dbraw/zinc/20/59/88/1036205988.db2.gz CJSASBIKFCVZMY-SFHVURJKSA-N 0 3 324.380 3.697 20 10 DHCDHN CCN(Cc1cccc(C)c1O)Cc1ccc(OC)cc1OC ZINC000775654311 1036243820 /nfs/dbraw/zinc/24/38/20/1036243820.db2.gz XXIZHJUAAQSCNP-UHFFFAOYSA-N 0 3 315.413 3.740 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC001182423428 1036274191 /nfs/dbraw/zinc/27/41/91/1036274191.db2.gz DWWUEBPKOXWKDJ-CQSZACIVSA-N 0 3 316.420 3.627 20 10 DHCDHN COc1cc(C)c(C[NH+]2CCC3(CCSCC3)CC2)c([O-])c1 ZINC001183196684 1036541071 /nfs/dbraw/zinc/54/10/71/1036541071.db2.gz GGDUMHDBYYJYBT-UHFFFAOYSA-N 0 3 321.486 3.818 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000774658563 1036640840 /nfs/dbraw/zinc/64/08/40/1036640840.db2.gz NSBCJRLIPIMDBA-UHFFFAOYSA-N 0 3 311.425 3.938 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000774658563 1036640854 /nfs/dbraw/zinc/64/08/54/1036640854.db2.gz NSBCJRLIPIMDBA-UHFFFAOYSA-N 0 3 311.425 3.938 20 10 DHCDHN CN(C)c1ccc(/C=C/CNCc2ccc(Cl)nc2)cc1 ZINC001199412083 1037260367 /nfs/dbraw/zinc/26/03/67/1037260367.db2.gz FWMNALJVJLOBIM-ONEGZZNKSA-N 0 3 301.821 3.604 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014805 1037297043 /nfs/dbraw/zinc/29/70/43/1037297043.db2.gz QNZSIFISLYBBKV-LJQANCHMSA-N 0 3 313.372 3.553 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014805 1037297057 /nfs/dbraw/zinc/29/70/57/1037297057.db2.gz QNZSIFISLYBBKV-LJQANCHMSA-N 0 3 313.372 3.553 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000776011841 1037310070 /nfs/dbraw/zinc/31/00/70/1037310070.db2.gz BQKUTLYUACEXBR-SMDDNHRTSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000776011841 1037310088 /nfs/dbraw/zinc/31/00/88/1037310088.db2.gz BQKUTLYUACEXBR-SMDDNHRTSA-N 0 3 317.351 3.954 20 10 DHCDHN C[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000775360235 1038273102 /nfs/dbraw/zinc/27/31/02/1038273102.db2.gz BDHSLIXBCPJANO-AWEZNQCLSA-N 0 3 321.424 3.857 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccccc1OC)c1ccccc1[O-] ZINC000775416754 1038397034 /nfs/dbraw/zinc/39/70/34/1038397034.db2.gz YZHJHYPWKYBHGX-OAHLLOKOSA-N 0 3 301.386 3.521 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(Br)cc1 ZINC000226586723 1039727078 /nfs/dbraw/zinc/72/70/78/1039727078.db2.gz BBXHZXCDJYZUKP-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN CC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])NC(=O)OC(C)(C)C ZINC000227713135 1040367120 /nfs/dbraw/zinc/36/71/20/1040367120.db2.gz BVXKRQHVKPKFAD-KGLIPLIRSA-N 0 3 322.449 3.655 20 10 DHCDHN COc1cc(Cl)cc(CN[C@H]2CSc3ccccc32)c1O ZINC000761207610 1040591395 /nfs/dbraw/zinc/59/13/95/1040591395.db2.gz QVTHGDBGENPDHS-ZDUSSCGKSA-N 0 3 321.829 3.991 20 10 DHCDHN CCCN(Cc1cn2cc(C)ccc2n1)Cc1ccccc1O ZINC000174373941 1040623996 /nfs/dbraw/zinc/62/39/96/1040623996.db2.gz HXIPQUXEMCPNDC-UHFFFAOYSA-N 0 3 309.413 3.761 20 10 DHCDHN CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000761216817 1040683949 /nfs/dbraw/zinc/68/39/49/1040683949.db2.gz YDAJAFUSWSXSNP-APPDUMDISA-N 0 3 307.340 3.536 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccccc2F)c1[O-] ZINC000228668787 1041046533 /nfs/dbraw/zinc/04/65/33/1041046533.db2.gz DPNHEFOJQKYGMO-UHFFFAOYSA-N 0 3 309.768 3.526 20 10 DHCDHN CCOc1cccc(CN(C)[C@H](C)c2cccc(O)c2)c1O ZINC000093315652 193230435 /nfs/dbraw/zinc/23/04/35/193230435.db2.gz TYYZUKYYSNVFAJ-CYBMUJFWSA-N 0 3 301.386 3.690 20 10 DHCDHN CCCOc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)c(O)c1 ZINC000093438335 193251805 /nfs/dbraw/zinc/25/18/05/193251805.db2.gz LWIBWNCJEOFFAB-QGZVFWFLSA-N 0 3 315.417 3.631 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c([O-])c1 ZINC000019233400 182111121 /nfs/dbraw/zinc/11/11/21/182111121.db2.gz REJNGCUASUNVPM-UKRRQHHQSA-N 0 3 304.459 3.716 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000272881234 130071097 /nfs/dbraw/zinc/07/10/97/130071097.db2.gz QNYWVCHVPKHJEL-GYOIFBIXSA-N 0 3 321.367 3.833 20 10 DHCDHN Cc1ccc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496124 130129603 /nfs/dbraw/zinc/12/96/03/130129603.db2.gz PCWKBLWRJSAQSN-GUYCJALGSA-N 0 3 303.377 3.532 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000273530960 130133796 /nfs/dbraw/zinc/13/37/96/130133796.db2.gz WJMDWYWDHDXSDF-GUYCJALGSA-N 0 3 313.397 3.802 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000273530959 130134060 /nfs/dbraw/zinc/13/40/60/130134060.db2.gz WJMDWYWDHDXSDF-DYVFJYSZSA-N 0 3 313.397 3.802 20 10 DHCDHN Cc1ccc([C@H](C)NCc2cn3c(cccc3C)n2)c(O)c1C ZINC000273567990 130138665 /nfs/dbraw/zinc/13/86/65/130138665.db2.gz KBGQGEGBFCIWHA-HNNXBMFYSA-N 0 3 309.413 3.816 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1[O-] ZINC000274787302 130262708 /nfs/dbraw/zinc/26/27/08/130262708.db2.gz QPJAMTBZEWWTSL-YOKWENHESA-N 0 3 317.454 3.932 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1[O-] ZINC000274941677 130276244 /nfs/dbraw/zinc/27/62/44/130276244.db2.gz SZQLSQMNOLJBOP-GUYCJALGSA-N 0 3 324.424 3.713 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c([O-])c1 ZINC000284299160 131067785 /nfs/dbraw/zinc/06/77/85/131067785.db2.gz YMDTZEOXXMHDKS-SUMWQHHRSA-N 0 3 305.443 3.629 20 10 DHCDHN COc1cccc(CNCc2c(F)cccc2SC)c1O ZINC000285603614 131185544 /nfs/dbraw/zinc/18/55/44/131185544.db2.gz PSSVAWJALBQNRJ-UHFFFAOYSA-N 0 3 307.390 3.552 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000289423303 131385630 /nfs/dbraw/zinc/38/56/30/131385630.db2.gz BTDDVTMOEZIVQY-FQEVSTJZSA-N 0 3 323.436 3.884 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000291666298 131590598 /nfs/dbraw/zinc/59/05/98/131590598.db2.gz FUIOSJMZKGGJHX-SJCJKPOMSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1cccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c1OC ZINC000293700073 131760461 /nfs/dbraw/zinc/76/04/61/131760461.db2.gz LHEBZQKUGDXDHC-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000297229035 132005424 /nfs/dbraw/zinc/00/54/24/132005424.db2.gz HSTRIKOUSBVDPZ-VXGBXAGGSA-N 0 3 305.340 3.709 20 10 DHCDHN CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000176981942 332966558 /nfs/dbraw/zinc/96/65/58/332966558.db2.gz QTCNMUARIWDPHM-NWDGAFQWSA-N 0 3 316.376 3.902 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2cn(C)nc2C)cc1 ZINC000178716330 333142730 /nfs/dbraw/zinc/14/27/30/333142730.db2.gz XOZJUJQUSNEMHT-KGLIPLIRSA-N 0 3 300.450 3.596 20 10 DHCDHN CC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719119 333142993 /nfs/dbraw/zinc/14/29/93/333142993.db2.gz ARKYVSVACXWMGV-SCLBCKFNSA-N 0 3 300.450 3.596 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(F)ccc1[O-] ZINC000185262396 333206423 /nfs/dbraw/zinc/20/64/23/333206423.db2.gz LPXLCTSABLXJGK-GFCCVEGCSA-N 0 3 316.376 3.566 20 10 DHCDHN C[C@H](CCCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294817346 335127937 /nfs/dbraw/zinc/12/79/37/335127937.db2.gz QEMFVTIPXANOOU-VQIMIIECSA-N 0 3 313.441 3.817 20 10 DHCDHN CCOc1cccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000294986468 335129610 /nfs/dbraw/zinc/12/96/10/335129610.db2.gz KFFGXSSTJZIFCK-AAEUAGOBSA-N 0 3 317.351 3.954 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000119700979 333256902 /nfs/dbraw/zinc/25/69/02/333256902.db2.gz DNHRTZVSIAWRCI-RYUDHWBXSA-N 0 3 316.357 3.721 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)CC2 ZINC000297255788 335152193 /nfs/dbraw/zinc/15/21/93/335152193.db2.gz JRDGOKLSCPKTPP-HOTGVXAUSA-N 0 3 317.816 3.746 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464523 334047595 /nfs/dbraw/zinc/04/75/95/334047595.db2.gz IEUWGZNNKYQRIC-WMZOPIPTSA-N 0 3 301.361 3.541 20 10 DHCDHN C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(F)ccc1[O-] ZINC000289802821 334167886 /nfs/dbraw/zinc/16/78/86/334167886.db2.gz OBICEHQREPUDFK-GTNSWQLSSA-N 0 3 321.417 3.732 20 10 DHCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])c2ccccc21 ZINC000370374500 336883718 /nfs/dbraw/zinc/88/37/18/336883718.db2.gz ODFABDUWNNKRBK-KBXCAEBGSA-N 0 3 324.424 3.849 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000391359414 336957455 /nfs/dbraw/zinc/95/74/55/336957455.db2.gz WIRGXMUINZBCAY-RYUDHWBXSA-N 0 3 319.376 3.960 20 10 DHCDHN CN(C)c1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000374496023 336990522 /nfs/dbraw/zinc/99/05/22/336990522.db2.gz KPGFYZWKIDENPQ-UYAOXDASSA-N 0 3 310.441 3.620 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000377398067 337051920 /nfs/dbraw/zinc/05/19/20/337051920.db2.gz LLDPSXSRFFMCJA-VOJFVSQTSA-N 0 3 317.360 3.542 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000377695794 337058742 /nfs/dbraw/zinc/05/87/42/337058742.db2.gz IJNLBZSDBITIPL-KBAYOESNSA-N 0 3 315.388 3.790 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000377695794 337058743 /nfs/dbraw/zinc/05/87/43/337058743.db2.gz IJNLBZSDBITIPL-KBAYOESNSA-N 0 3 315.388 3.790 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000378439665 337072743 /nfs/dbraw/zinc/07/27/43/337072743.db2.gz STQDMIKJAFAPLH-ZDUSSCGKSA-N 0 3 317.820 3.524 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000378439665 337072744 /nfs/dbraw/zinc/07/27/44/337072744.db2.gz STQDMIKJAFAPLH-ZDUSSCGKSA-N 0 3 317.820 3.524 20 10 DHCDHN COc1cccc(C[NH2+]C[C@@H]2C[C@]2(C)c2cccs2)c1[O-] ZINC000360091364 337085235 /nfs/dbraw/zinc/08/52/35/337085235.db2.gz CHRGRESGAMAIFT-GUYCJALGSA-N 0 3 303.427 3.530 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000179564998 337170327 /nfs/dbraw/zinc/17/03/27/337170327.db2.gz QECAKIBKHWFQKS-UHFFFAOYSA-N 0 3 301.361 3.575 20 10 DHCDHN COc1ccc(O)c(CN2CCC(c3nc(C)cs3)CC2)c1 ZINC000179962055 337172774 /nfs/dbraw/zinc/17/27/74/337172774.db2.gz RCASTRHNKZBIFO-UHFFFAOYSA-N 0 3 318.442 3.545 20 10 DHCDHN COc1ccc([O-])c(C[NH+]2CCC(c3nc(C)cs3)CC2)c1 ZINC000179962055 337172775 /nfs/dbraw/zinc/17/27/75/337172775.db2.gz RCASTRHNKZBIFO-UHFFFAOYSA-N 0 3 318.442 3.545 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(F)ccc1[O-] ZINC000185125659 337203254 /nfs/dbraw/zinc/20/32/54/337203254.db2.gz DSBURKFSBQRAAM-ZDUSSCGKSA-N 0 3 311.360 3.568 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000186176088 337254173 /nfs/dbraw/zinc/25/41/73/337254173.db2.gz PCJAHJLJCNAIQF-AHIWAGSCSA-N 0 3 313.397 3.616 20 10 DHCDHN CCOc1ccc2c(c1)[C@H](NCc1cccc(C)c1O)CCO2 ZINC000187589130 337267144 /nfs/dbraw/zinc/26/71/44/337267144.db2.gz BYTSTBCWWKZGKH-QGZVFWFLSA-N 0 3 313.397 3.713 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H]2CCOc3c(C)cccc32)c1 ZINC000188950141 337276865 /nfs/dbraw/zinc/27/68/65/337276865.db2.gz OSCAIXWGBIQEDS-KRWDZBQOSA-N 0 3 313.397 3.713 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1[O-] ZINC000248541659 337564410 /nfs/dbraw/zinc/56/44/10/337564410.db2.gz CBDRYYUHWUMERX-CYGHRXIMSA-N 0 3 301.430 3.781 20 10 DHCDHN COC(=O)c1ccc(CNCc2c(C)c3ccccc3n2C)cc1 ZINC000475197341 339441148 /nfs/dbraw/zinc/44/11/48/339441148.db2.gz MHGNDXVJIQYWDS-UHFFFAOYSA-N 0 3 322.408 3.563 20 10 DHCDHN Cc1nc2ccccn2c1CNCc1c(C)c2ccccc2n1C ZINC000475200339 339441222 /nfs/dbraw/zinc/44/12/22/339441222.db2.gz YXNHQXATWYLWQE-UHFFFAOYSA-N 0 3 318.424 3.733 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2cc(C)ccc2O)c(OC)c1 ZINC000273398514 341635518 /nfs/dbraw/zinc/63/55/18/341635518.db2.gz MQNHHOZFHQVCEV-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1ccc(CN[C@H](C)c2cc(C)ccc2O)c(OC)c1 ZINC000273398512 341635550 /nfs/dbraw/zinc/63/55/50/341635550.db2.gz MQNHHOZFHQVCEV-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000364405345 520910724 /nfs/dbraw/zinc/91/07/24/520910724.db2.gz WZWRUDGXJVIGPJ-LAUBAEHRSA-N 0 3 324.468 3.843 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156231318 522612344 /nfs/dbraw/zinc/61/23/44/522612344.db2.gz VUESBMJBWKSLIM-BBRMVZONSA-N 0 3 310.397 3.559 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000127081308 522613559 /nfs/dbraw/zinc/61/35/59/522613559.db2.gz HLUOVHOPCGSMTM-DOTOQJQBSA-N 0 3 323.795 3.959 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156443785 522839820 /nfs/dbraw/zinc/83/98/20/522839820.db2.gz UXJLCVFAAKDOBX-GDBMZVCRSA-N 0 3 310.397 3.559 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000183331130 522863340 /nfs/dbraw/zinc/86/33/40/522863340.db2.gz PXRNJFJTXHYEOH-WBVHZDCISA-N 0 3 305.805 3.820 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C2CCOCC2)CC1 ZINC000368797993 523104347 /nfs/dbraw/zinc/10/43/47/523104347.db2.gz PTSNOYYFYPPBEI-SFHVURJKSA-N 0 3 303.446 3.982 20 10 DHCDHN COc1ccc(O)c(CN(C)[C@@H]2CCCc3nc(C)sc32)c1 ZINC000180231772 524734662 /nfs/dbraw/zinc/73/46/62/524734662.db2.gz DFTLZOJLEMKZNL-OAHLLOKOSA-N 0 3 318.442 3.675 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCOc3c(F)cccc32)c1 ZINC000188060557 524766633 /nfs/dbraw/zinc/76/66/33/524766633.db2.gz NCQTZFJVCGEZAF-BZNIZROVSA-N 0 3 317.360 3.714 20 10 DHCDHN Cc1cc(O)c(CNCc2ccc(OC(C)(C)C)nc2)cc1C ZINC000180881078 525323244 /nfs/dbraw/zinc/32/32/44/525323244.db2.gz YIFSZEJWCPUIKC-UHFFFAOYSA-N 0 3 314.429 3.871 20 10 DHCDHN Cc1ccc(O)c(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000179879849 525340089 /nfs/dbraw/zinc/34/00/89/525340089.db2.gz JAWTUTNFSRJLLR-UHFFFAOYSA-N 0 3 309.409 3.796 20 10 DHCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000179879849 525340097 /nfs/dbraw/zinc/34/00/97/525340097.db2.gz JAWTUTNFSRJLLR-UHFFFAOYSA-N 0 3 309.409 3.796 20 10 DHCDHN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccccc1[O-] ZINC000157591894 525488918 /nfs/dbraw/zinc/48/89/18/525488918.db2.gz ZMUDOIZLLBGOSK-SJKOYZFVSA-N 0 3 305.805 3.604 20 10 DHCDHN C[C@@H](NCc1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178024324 525548158 /nfs/dbraw/zinc/54/81/58/525548158.db2.gz DUOURBBHPYGVJD-CYBMUJFWSA-N 0 3 320.433 3.575 20 10 DHCDHN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000163822899 525622772 /nfs/dbraw/zinc/62/27/72/525622772.db2.gz JGNUWIKAZLLLIN-CVEARBPZSA-N 0 3 312.461 3.822 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000157746743 525645795 /nfs/dbraw/zinc/64/57/95/525645795.db2.gz ZPUQMEWBMFHFMB-DUXSXAKTSA-N 0 3 315.457 3.879 20 10 DHCDHN O=C(c1cccs1)C1CCN(Cc2ccccc2O)CC1 ZINC000371465147 526835515 /nfs/dbraw/zinc/83/55/15/526835515.db2.gz AERIWCJXMPQBAJ-UHFFFAOYSA-N 0 3 301.411 3.549 20 10 DHCDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000160531262 527585046 /nfs/dbraw/zinc/58/50/46/527585046.db2.gz RSHDFBNYYPVVEM-CQSZACIVSA-N 0 3 314.477 3.863 20 10 DHCDHN CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753851 534946207 /nfs/dbraw/zinc/94/62/07/534946207.db2.gz QMGBDPASPOCDSI-BBRMVZONSA-N 0 3 310.869 3.818 20 10 DHCDHN CCOC1CC2(C1)CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000285172113 535397077 /nfs/dbraw/zinc/39/70/77/535397077.db2.gz QJVOTHUZUAORKZ-UHFFFAOYSA-N 0 3 311.425 3.936 20 10 DHCDHN CCOC1CC2(C1)CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000285172113 535397081 /nfs/dbraw/zinc/39/70/81/535397081.db2.gz QJVOTHUZUAORKZ-UHFFFAOYSA-N 0 3 311.425 3.936 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H](CCOC)c2ccc(C)o2)c1 ZINC000272355854 535751496 /nfs/dbraw/zinc/75/14/96/535751496.db2.gz VOMILTRCPIDSQX-INIZCTEOSA-N 0 3 319.401 3.560 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000289359474 535805476 /nfs/dbraw/zinc/80/54/76/535805476.db2.gz KDYPYEDCOUPXNV-OAHLLOKOSA-N 0 3 319.376 3.789 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286346348 535895107 /nfs/dbraw/zinc/89/51/07/535895107.db2.gz YOSGXFJVRLYLMN-INIZCTEOSA-N 0 3 308.441 3.835 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287232940 535931206 /nfs/dbraw/zinc/93/12/06/535931206.db2.gz YIEAZXCPILFGFY-ROUUACIJSA-N 0 3 316.420 3.875 20 10 DHCDHN COCCOc1ccccc1CN[C@@H](C)c1cc(C)ccc1O ZINC000273367189 536732181 /nfs/dbraw/zinc/73/21/81/536732181.db2.gz FFMXASKPDGBQAK-HNNXBMFYSA-N 0 3 315.413 3.577 20 10 DHCDHN COc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1Cl ZINC000297101078 536898280 /nfs/dbraw/zinc/89/82/80/536898280.db2.gz XRWYFAUGJMNVSO-CQSZACIVSA-N 0 3 303.789 3.831 20 10 DHCDHN COc1ccc(C[NH2+]Cc2ccccc2OCC(C)C)c([O-])c1 ZINC000237248012 1014924204 /nfs/dbraw/zinc/92/42/04/1014924204.db2.gz CUBKAQAIRRXDHW-UHFFFAOYSA-N 0 3 315.413 3.725 20 10 DHCDHN COc1ccc(CNCc2ccccc2OCC(C)C)c(O)c1 ZINC000237248012 1014924213 /nfs/dbraw/zinc/92/42/13/1014924213.db2.gz CUBKAQAIRRXDHW-UHFFFAOYSA-N 0 3 315.413 3.725 20 10 DHCDHN C[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccccc1[O-] ZINC000783519761 1015103117 /nfs/dbraw/zinc/10/31/17/1015103117.db2.gz XTGLNUVAAKTYCY-CRAIPNDOSA-N 0 3 321.424 3.760 20 10 DHCDHN COc1ccc(C[N@H+](C)C[C@@H](C)c2ccccc2)c([O-])c1OC ZINC000891916753 1015755866 /nfs/dbraw/zinc/75/58/66/1015755866.db2.gz OLNMNULLHSUMME-CQSZACIVSA-N 0 3 315.413 3.645 20 10 DHCDHN COc1ccc(C[N@@H+](C)C[C@@H](C)c2ccccc2)c([O-])c1OC ZINC000891916753 1015755870 /nfs/dbraw/zinc/75/58/70/1015755870.db2.gz OLNMNULLHSUMME-CQSZACIVSA-N 0 3 315.413 3.645 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c([O-])c1 ZINC000184835116 1016390152 /nfs/dbraw/zinc/39/01/52/1016390152.db2.gz IWAHDZNWYUXVQV-KBXCAEBGSA-N 0 3 316.420 3.793 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(F)ccc1[O-] ZINC000185323570 1016860985 /nfs/dbraw/zinc/86/09/85/1016860985.db2.gz VTRMPCXXWJBQHA-GFCCVEGCSA-N 0 3 317.360 3.543 20 10 DHCDHN COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1F ZINC000185333314 1016863780 /nfs/dbraw/zinc/86/37/80/1016863780.db2.gz BINSNCLKEQTIJE-ZDUSSCGKSA-N 0 3 303.377 3.742 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c([O-])c1 ZINC000192846870 1017094884 /nfs/dbraw/zinc/09/48/84/1017094884.db2.gz KPFKGNCQIBQHBG-CHWSQXEVSA-N 0 3 313.401 3.603 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000840880207 1017301534 /nfs/dbraw/zinc/30/15/34/1017301534.db2.gz JHSHYCBEAAWSFE-MAUKXSAKSA-N 0 3 317.404 3.657 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1[O-] ZINC001171345633 1032507120 /nfs/dbraw/zinc/50/71/20/1032507120.db2.gz LSOMURQLJQKYOT-RISCZKNCSA-N 0 3 303.352 3.879 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382777 1032558269 /nfs/dbraw/zinc/55/82/69/1032558269.db2.gz DYMSXDUEMIYBQN-HNNXBMFYSA-N 0 3 303.352 3.660 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382777 1032558276 /nfs/dbraw/zinc/55/82/76/1032558276.db2.gz DYMSXDUEMIYBQN-HNNXBMFYSA-N 0 3 303.352 3.660 20 10 DHCDHN COc1cc(C)cc(CNCc2cc(F)ccc2SC)c1O ZINC000894307308 1012511938 /nfs/dbraw/zinc/51/19/38/1012511938.db2.gz FMHWHPSPGAQGLA-UHFFFAOYSA-N 0 3 321.417 3.860 20 10 DHCDHN CCOc1cc(C)ccc1CNCc1cc(C)cc(OC)c1O ZINC000894332756 1012838967 /nfs/dbraw/zinc/83/89/67/1012838967.db2.gz QTXKOMCDTZDGOC-UHFFFAOYSA-N 0 3 315.413 3.706 20 10 DHCDHN Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000783603676 1017518492 /nfs/dbraw/zinc/51/84/92/1017518492.db2.gz VRMUWAYANCFBAU-UHFFFAOYSA-N 0 3 319.832 3.657 20 10 DHCDHN Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000783603676 1017518498 /nfs/dbraw/zinc/51/84/98/1017518498.db2.gz VRMUWAYANCFBAU-UHFFFAOYSA-N 0 3 319.832 3.657 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOCC1CCC1 ZINC000764975888 1018438512 /nfs/dbraw/zinc/43/85/12/1018438512.db2.gz BJPWWQMZAZQAHF-UHFFFAOYSA-N 0 3 311.425 3.966 20 10 DHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000765328374 1018757450 /nfs/dbraw/zinc/75/74/50/1018757450.db2.gz FHHDVVPJPOMHMF-HUUCEWRRSA-N 0 3 316.470 3.997 20 10 DHCDHN CN(Cc1cc(F)cc(F)c1)Cc1cc2c(cc1O)CCC2 ZINC001116781053 1018857591 /nfs/dbraw/zinc/85/75/91/1018857591.db2.gz PUXZCILHWPNOGQ-UHFFFAOYSA-N 0 3 303.352 3.791 20 10 DHCDHN CN(C)c1cc(F)c(CNC[C@@]2(C)CC2(Cl)Cl)cc1F ZINC000858173009 1032790606 /nfs/dbraw/zinc/79/06/06/1032790606.db2.gz NTVZLOHDAWMQMJ-CYBMUJFWSA-N 0 3 323.214 3.704 20 10 DHCDHN C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc2ccccc2c1[O-] ZINC000020826550 1032791745 /nfs/dbraw/zinc/79/17/45/1032791745.db2.gz WCOLALTXFMJPKI-AWEZNQCLSA-N 0 3 300.446 3.784 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282529642 1018913210 /nfs/dbraw/zinc/91/32/10/1018913210.db2.gz VFCREGWGSMDHEY-KDOFPFPSSA-N 0 3 312.461 3.604 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1[O-] ZINC000843431850 1019040304 /nfs/dbraw/zinc/04/03/04/1019040304.db2.gz KKRWMGZNHRBCRV-ZDUSSCGKSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1[O-] ZINC000843431850 1019040316 /nfs/dbraw/zinc/04/03/16/1019040316.db2.gz KKRWMGZNHRBCRV-ZDUSSCGKSA-N 0 3 309.837 3.745 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc(OC)c(F)c1)c1ccccc1[O-] ZINC000186168898 1019224659 /nfs/dbraw/zinc/22/46/59/1019224659.db2.gz PBVWNLLMAWLIFY-MRXNPFEDSA-N 0 3 303.377 3.823 20 10 DHCDHN Cc1c(CNCc2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000922049052 1019363632 /nfs/dbraw/zinc/36/36/32/1019363632.db2.gz SUMGZLMYYATFGE-UHFFFAOYSA-N 0 3 312.369 3.518 20 10 DHCDHN C[C@@H](NCc1c(Cl)cccc1N(C)C)c1ccccc1O ZINC001119284239 1019764800 /nfs/dbraw/zinc/76/48/00/1019764800.db2.gz CZRIEZKSXBBQSG-GFCCVEGCSA-N 0 3 304.821 3.962 20 10 DHCDHN CC(C)(C)c1ccncc1CNCc1ccc2c(c1)CCCO2 ZINC000922183283 1019788659 /nfs/dbraw/zinc/78/86/59/1019788659.db2.gz QIWGMHURFVQURB-UHFFFAOYSA-N 0 3 310.441 3.994 20 10 DHCDHN CCC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1[O-] ZINC000727830785 1019817742 /nfs/dbraw/zinc/81/77/42/1019817742.db2.gz OFMGOALGRPLJIC-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN CCC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1[O-] ZINC000727830785 1019817759 /nfs/dbraw/zinc/81/77/59/1019817759.db2.gz OFMGOALGRPLJIC-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccccc1[O-] ZINC000309647221 1019923782 /nfs/dbraw/zinc/92/37/82/1019923782.db2.gz DDHQLKZRCXHFQF-FCEWJHQRSA-N 0 3 310.441 3.706 20 10 DHCDHN CCOc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c([O-])c1 ZINC000922422823 1020066084 /nfs/dbraw/zinc/06/60/84/1020066084.db2.gz WPRLIFNJCLHITL-SFESLNEESA-N 0 3 307.459 3.555 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000922541633 1020121678 /nfs/dbraw/zinc/12/16/78/1020121678.db2.gz RAXHYTPVXJGBRQ-CYBMUJFWSA-N 0 3 312.369 3.771 20 10 DHCDHN CCCC[N@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000731661013 1020131265 /nfs/dbraw/zinc/13/12/65/1020131265.db2.gz RXUHMHWSMJEKSY-UHFFFAOYSA-N 0 3 317.429 3.803 20 10 DHCDHN CCCC[N@@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000731661013 1020131274 /nfs/dbraw/zinc/13/12/74/1020131274.db2.gz RXUHMHWSMJEKSY-UHFFFAOYSA-N 0 3 317.429 3.803 20 10 DHCDHN c1ccc([C@H](NCc2ccc(N3CCCC3)cc2)C2CC2)nc1 ZINC000922586876 1020147820 /nfs/dbraw/zinc/14/78/20/1020147820.db2.gz SNKVXUWNRCXZHI-HXUWFJFHSA-N 0 3 307.441 3.923 20 10 DHCDHN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820560 1020288012 /nfs/dbraw/zinc/28/80/12/1020288012.db2.gz LJRZEAZNKBOJCX-FOIQADDNSA-N 0 3 313.441 3.946 20 10 DHCDHN CN(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CCCCC1 ZINC000733324411 1020371579 /nfs/dbraw/zinc/37/15/79/1020371579.db2.gz ACMNQMIWHBHYRS-INIZCTEOSA-N 0 3 310.869 3.646 20 10 DHCDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000766043577 1020564742 /nfs/dbraw/zinc/56/47/42/1020564742.db2.gz MURBXFJYSAGMAF-UGSOOPFHSA-N 0 3 310.445 3.579 20 10 DHCDHN COc1ccc(C2(NCc3ccc4c(c3)CCCO4)CC2)cc1 ZINC000921721675 1020568185 /nfs/dbraw/zinc/56/81/85/1020568185.db2.gz HFNMWFHMWPRETO-UHFFFAOYSA-N 0 3 309.409 3.799 20 10 DHCDHN Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])nc1 ZINC000858488120 1032918103 /nfs/dbraw/zinc/91/81/03/1032918103.db2.gz NWNNGHTYOKAIDE-CYBMUJFWSA-N 0 3 302.393 3.863 20 10 DHCDHN CC(C)(CO)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742372449 1021114362 /nfs/dbraw/zinc/11/43/62/1021114362.db2.gz MLPRYLYKKRDXJL-UHFFFAOYSA-N 0 3 313.441 3.948 20 10 DHCDHN COc1cc(CNCc2ccc(C)nc2)c(O)c(C(C)(C)C)c1 ZINC000850032853 1021399038 /nfs/dbraw/zinc/39/90/38/1021399038.db2.gz FXYQRDWTBLNIKS-UHFFFAOYSA-N 0 3 314.429 3.692 20 10 DHCDHN Cc1cccc2[nH]c(CNCc3ccc(N(C)C)c(F)c3)cc21 ZINC000850099709 1021421035 /nfs/dbraw/zinc/42/10/35/1021421035.db2.gz UWXHVPPYQMIQDK-UHFFFAOYSA-N 0 3 311.404 3.971 20 10 DHCDHN COc1ccc(N2CC[C@H](NCc3ccsc3Cl)C2)cc1 ZINC000850346470 1021481478 /nfs/dbraw/zinc/48/14/78/1021481478.db2.gz GISOXKHQBKCZBS-ZDUSSCGKSA-N 0 3 322.861 3.779 20 10 DHCDHN O[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369763 1021491967 /nfs/dbraw/zinc/49/19/67/1021491967.db2.gz LGBYUULQVOPFPI-LEWJYISDSA-N 0 3 322.452 3.945 20 10 DHCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c([O-])c1 ZINC000850389395 1021504227 /nfs/dbraw/zinc/50/42/27/1021504227.db2.gz WHJYNDWEMJGJRS-IAGOWNOFSA-N 0 3 319.445 3.617 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850419127 1021522866 /nfs/dbraw/zinc/52/28/66/1021522866.db2.gz BQVLALABTVFZKH-UZLBHIALSA-N 0 3 312.457 3.745 20 10 DHCDHN Cc1ccncc1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850504875 1021566294 /nfs/dbraw/zinc/56/62/94/1021566294.db2.gz HCMMLIORISHQFZ-ZDUSSCGKSA-N 0 3 304.821 3.951 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000394483117 1021613819 /nfs/dbraw/zinc/61/38/19/1021613819.db2.gz FRERIENKJZATHA-MCIONIFRSA-N 0 3 322.449 3.653 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cscn1 ZINC000840893979 1021638236 /nfs/dbraw/zinc/63/82/36/1021638236.db2.gz OLFUVUZELGDHTE-KBPBESRZSA-N 0 3 303.475 3.799 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1(CO)CCCCC1 ZINC000776499367 1021684001 /nfs/dbraw/zinc/68/40/01/1021684001.db2.gz UYTKJZGJEXYLEX-UHFFFAOYSA-N 0 3 311.425 3.844 20 10 DHCDHN COc1ccc(O)c(CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000182676383 1021764378 /nfs/dbraw/zinc/76/43/78/1021764378.db2.gz NCLOFYTXFGRQPL-UHFFFAOYSA-N 0 3 319.351 3.848 20 10 DHCDHN CC(C)N(Cc1cc2c(cc1O)OCO2)Cc1ccccc1F ZINC000746032691 1021832605 /nfs/dbraw/zinc/83/26/05/1021832605.db2.gz GISJQOPPYSFPFV-UHFFFAOYSA-N 0 3 317.360 3.671 20 10 DHCDHN CCC[N@H+](Cc1ccc(C(=O)OC)cc1)Cc1ccccc1[O-] ZINC000110076253 1021945145 /nfs/dbraw/zinc/94/51/45/1021945145.db2.gz LZVSFGKWDFPABC-UHFFFAOYSA-N 0 3 313.397 3.591 20 10 DHCDHN CCC[N@@H+](Cc1ccc(C(=O)OC)cc1)Cc1ccccc1[O-] ZINC000110076253 1021945149 /nfs/dbraw/zinc/94/51/49/1021945149.db2.gz LZVSFGKWDFPABC-UHFFFAOYSA-N 0 3 313.397 3.591 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(OC)c2Cl)c1 ZINC000851900546 1022034495 /nfs/dbraw/zinc/03/44/95/1022034495.db2.gz VGZQXULRQNCART-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000766457332 1022117135 /nfs/dbraw/zinc/11/71/35/1022117135.db2.gz JRBUMXMMFQFDAE-UHFFFAOYSA-N 0 3 320.392 3.753 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000183556709 1022190175 /nfs/dbraw/zinc/19/01/75/1022190175.db2.gz VNHAMSFLYVFHOV-WBMJQRKESA-N 0 3 313.422 3.991 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239125 1022239621 /nfs/dbraw/zinc/23/96/21/1022239621.db2.gz AKDOHSUEZDQAOY-UKRRQHHQSA-N 0 3 322.880 3.818 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccncc1 ZINC000763454674 1022295924 /nfs/dbraw/zinc/29/59/24/1022295924.db2.gz HPPCAMUSSGGAMS-UHFFFAOYSA-N 0 3 304.393 3.787 20 10 DHCDHN C[C@@H]([NH2+]CCCOc1ccccc1F)c1cc(F)ccc1[O-] ZINC000756412474 1022312311 /nfs/dbraw/zinc/31/23/11/1022312311.db2.gz UCNHLXIMJLYWSB-GFCCVEGCSA-N 0 3 307.340 3.790 20 10 DHCDHN NCc1ccc2c(n1)N(c1cccc(-c3cccnc3)c1)CCC2 ZINC001169591497 1022459257 /nfs/dbraw/zinc/45/92/57/1022459257.db2.gz YLZSIFZECOXUHV-UHFFFAOYSA-N 0 3 316.408 3.687 20 10 DHCDHN COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185744696 1022520156 /nfs/dbraw/zinc/52/01/56/1022520156.db2.gz KCQPWDWWRKSJIO-ZBEGNZNMSA-N 0 3 301.361 3.878 20 10 DHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001169753950 1022530575 /nfs/dbraw/zinc/53/05/75/1022530575.db2.gz DZEPVAMZFZZSPS-AYBZRNKSSA-N 0 3 303.446 3.952 20 10 DHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001169753950 1022530581 /nfs/dbraw/zinc/53/05/81/1022530581.db2.gz DZEPVAMZFZZSPS-AYBZRNKSSA-N 0 3 303.446 3.952 20 10 DHCDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000180505184 1022747944 /nfs/dbraw/zinc/74/79/44/1022747944.db2.gz ZNZLSXZZLZRQPS-OAHLLOKOSA-N 0 3 312.461 3.805 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(CCO)CCC1 ZINC000767927174 1022843592 /nfs/dbraw/zinc/84/35/92/1022843592.db2.gz RDPMOCZPIOXGDL-UHFFFAOYSA-N 0 3 311.425 3.702 20 10 DHCDHN Cc1ccc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000768145092 1022895081 /nfs/dbraw/zinc/89/50/81/1022895081.db2.gz XCUBLJAWBONBKT-VMPITWQZSA-N 0 3 322.452 3.532 20 10 DHCDHN Nc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)s1 ZINC000768134891 1022902118 /nfs/dbraw/zinc/90/21/18/1022902118.db2.gz XBBUBJHMLSNKFE-UHFFFAOYSA-N 0 3 317.458 3.766 20 10 DHCDHN Nc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)s1 ZINC000768134891 1022902129 /nfs/dbraw/zinc/90/21/29/1022902129.db2.gz XBBUBJHMLSNKFE-UHFFFAOYSA-N 0 3 317.458 3.766 20 10 DHCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(OCC)cc2[O-])cc1 ZINC000768163879 1022907101 /nfs/dbraw/zinc/90/71/01/1022907101.db2.gz SQAPSRHOAAVJFL-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(OCC)cc2[O-])cc1 ZINC000768163879 1022907110 /nfs/dbraw/zinc/90/71/10/1022907110.db2.gz SQAPSRHOAAVJFL-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCOc1ccc(CN2CCc3sccc3[C@@H]2C)c(O)c1 ZINC000768211441 1022924621 /nfs/dbraw/zinc/92/46/21/1022924621.db2.gz YFZZYNPZHBDLRX-LBPRGKRZSA-N 0 3 303.427 3.972 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)c([O-])c1 ZINC000768211441 1022924625 /nfs/dbraw/zinc/92/46/25/1022924625.db2.gz YFZZYNPZHBDLRX-LBPRGKRZSA-N 0 3 303.427 3.972 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCc3sccc3[C@@H]2C)c([O-])c1 ZINC000768211441 1022924633 /nfs/dbraw/zinc/92/46/33/1022924633.db2.gz YFZZYNPZHBDLRX-LBPRGKRZSA-N 0 3 303.427 3.972 20 10 DHCDHN COc1cc(CN(C)Cc2cccc(Cl)c2)c(O)cc1C ZINC000768437829 1022965272 /nfs/dbraw/zinc/96/52/72/1022965272.db2.gz JZKYKXSXOTVVFA-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(CN2CCc3sccc3[C@H]2C)c(O)cc1C ZINC000768441459 1022967932 /nfs/dbraw/zinc/96/79/32/1022967932.db2.gz IZSUPZPFLJBGCS-GFCCVEGCSA-N 0 3 303.427 3.890 20 10 DHCDHN COCCN(Cc1c(O)cccc1OC)[C@@H](C)c1ccccc1 ZINC000768595947 1022997370 /nfs/dbraw/zinc/99/73/70/1022997370.db2.gz JNLWDRBHKUQPAT-HNNXBMFYSA-N 0 3 315.413 3.610 20 10 DHCDHN COCC[N@H+](Cc1c([O-])cccc1OC)[C@@H](C)c1ccccc1 ZINC000768595947 1022997380 /nfs/dbraw/zinc/99/73/80/1022997380.db2.gz JNLWDRBHKUQPAT-HNNXBMFYSA-N 0 3 315.413 3.610 20 10 DHCDHN COCC[N@@H+](Cc1c([O-])cccc1OC)[C@@H](C)c1ccccc1 ZINC000768595947 1022997390 /nfs/dbraw/zinc/99/73/90/1022997390.db2.gz JNLWDRBHKUQPAT-HNNXBMFYSA-N 0 3 315.413 3.610 20 10 DHCDHN CN(Cc1cnc(-c2ccncc2)s1)Cc1ccccc1O ZINC000768872952 1023045594 /nfs/dbraw/zinc/04/55/94/1023045594.db2.gz MPKQDMGRFZTRKG-UHFFFAOYSA-N 0 3 311.410 3.543 20 10 DHCDHN CCOc1cccc(CN2CCOc3ccccc3[C@H]2C)c1O ZINC000768929703 1023060103 /nfs/dbraw/zinc/06/01/03/1023060103.db2.gz JYGDGMWTCWPDOE-CQSZACIVSA-N 0 3 313.397 3.747 20 10 DHCDHN CN(C)c1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1F ZINC000769106721 1023084865 /nfs/dbraw/zinc/08/48/65/1023084865.db2.gz WOTQPJILHBKRTH-GOSISDBHSA-N 0 3 314.404 3.934 20 10 DHCDHN COc1cccc(O)c1CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000769403923 1023140767 /nfs/dbraw/zinc/14/07/67/1023140767.db2.gz KBWWJGICMXVNCG-CQSZACIVSA-N 0 3 318.442 3.675 20 10 DHCDHN CCOc1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000769491838 1023164663 /nfs/dbraw/zinc/16/46/63/1023164663.db2.gz FRWVSYKDKWGPGA-GOSISDBHSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000769491838 1023164671 /nfs/dbraw/zinc/16/46/71/1023164671.db2.gz FRWVSYKDKWGPGA-GOSISDBHSA-N 0 3 319.445 3.715 20 10 DHCDHN Cc1ccc(O)c(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769476202 1023165226 /nfs/dbraw/zinc/16/52/26/1023165226.db2.gz XGPFVDWQJAFVCE-OXJNMPFZSA-N 0 3 311.425 3.971 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769513563 1023172276 /nfs/dbraw/zinc/17/22/76/1023172276.db2.gz BQWFNCJLJWPRGI-OALUTQOASA-N 0 3 323.436 3.918 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769513563 1023172280 /nfs/dbraw/zinc/17/22/80/1023172280.db2.gz BQWFNCJLJWPRGI-OALUTQOASA-N 0 3 323.436 3.918 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CCCOc1cccc(C)c1C ZINC000785576041 1023596206 /nfs/dbraw/zinc/59/62/06/1023596206.db2.gz IVBWYWPQMNHHTQ-UHFFFAOYSA-N 0 3 315.413 3.576 20 10 DHCDHN COC(C)(C)CC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000787260160 1023777300 /nfs/dbraw/zinc/77/73/00/1023777300.db2.gz NJSDUCREDPQGHV-UHFFFAOYSA-N 0 3 303.402 3.803 20 10 DHCDHN COC(C)(C)CC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000787260160 1023777304 /nfs/dbraw/zinc/77/73/04/1023777304.db2.gz NJSDUCREDPQGHV-UHFFFAOYSA-N 0 3 303.402 3.803 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788260194 1023867386 /nfs/dbraw/zinc/86/73/86/1023867386.db2.gz VQXCLLMQLNXBRJ-HOCLYGCPSA-N 0 3 301.434 3.525 20 10 DHCDHN CCOc1ncccc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000788519952 1023900575 /nfs/dbraw/zinc/90/05/75/1023900575.db2.gz OYCHYJUARVETNK-AWEZNQCLSA-N 0 3 300.402 3.654 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000876995798 1033201229 /nfs/dbraw/zinc/20/12/29/1033201229.db2.gz INEBUDSZZBJINK-UYAOXDASSA-N 0 3 322.452 3.850 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000105491800 1024387878 /nfs/dbraw/zinc/38/78/78/1024387878.db2.gz JSHJIIOOUKMOFJ-HNNXBMFYSA-N 0 3 318.214 3.932 20 10 DHCDHN C[NH+](C)C1(CNCc2c([O-])ccc(Cl)c2F)CCCCC1 ZINC000790946592 1024402925 /nfs/dbraw/zinc/40/29/25/1024402925.db2.gz DMLJPWRREIHSKZ-UHFFFAOYSA-N 0 3 314.832 3.539 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000270648016 1024412539 /nfs/dbraw/zinc/41/25/39/1024412539.db2.gz LCOOTJZQIVRAPV-CRAIPNDOSA-N 0 3 321.461 3.864 20 10 DHCDHN CCn1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000271447417 1024509527 /nfs/dbraw/zinc/50/95/27/1024509527.db2.gz FEFJZGNXNMXRPR-INIZCTEOSA-N 0 3 312.461 3.744 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC000271545142 1024537236 /nfs/dbraw/zinc/53/72/36/1024537236.db2.gz ZBFKENDSPDFYGU-AUUYWEPGSA-N 0 3 316.420 3.666 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000271672529 1024560303 /nfs/dbraw/zinc/56/03/03/1024560303.db2.gz GTKZFKYEZWKTFY-INIZCTEOSA-N 0 3 301.386 3.650 20 10 DHCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877133337 1033249043 /nfs/dbraw/zinc/24/90/43/1033249043.db2.gz FJYMVZKNLHZJMK-AUUYWEPGSA-N 0 3 315.413 3.575 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCCc2ccccc2F)c1[O-] ZINC000793347701 1025019058 /nfs/dbraw/zinc/01/90/58/1025019058.db2.gz QDCUKGWGPUEEJO-UHFFFAOYSA-N 0 3 323.795 3.916 20 10 DHCDHN CCc1cccc(Cl)c1CNCc1ccc(OC)cc1O ZINC000793388601 1025031158 /nfs/dbraw/zinc/03/11/58/1025031158.db2.gz QDOVZRHIYQZXFS-UHFFFAOYSA-N 0 3 305.805 3.906 20 10 DHCDHN CCc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793388601 1025031170 /nfs/dbraw/zinc/03/11/70/1025031170.db2.gz QDOVZRHIYQZXFS-UHFFFAOYSA-N 0 3 305.805 3.906 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(C)cc1[O-] ZINC000793573371 1025126139 /nfs/dbraw/zinc/12/61/39/1025126139.db2.gz QDESTUCDAQSFJO-QGZVFWFLSA-N 0 3 309.413 3.860 20 10 DHCDHN CCOc1ccc(O)c(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000793619543 1025135787 /nfs/dbraw/zinc/13/57/87/1025135787.db2.gz GYTAYXFWDROQOC-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN Cc1ccc2nc(CN3CCc4cccc(O)c4C3)ccc2c1 ZINC001137217403 1025280484 /nfs/dbraw/zinc/28/04/84/1025280484.db2.gz WDBYFDNBAYOHKF-UHFFFAOYSA-N 0 3 304.393 3.807 20 10 DHCDHN Cc1ccc2nc(C[N@@H+]3CCc4cccc([O-])c4C3)ccc2c1 ZINC001137217403 1025280495 /nfs/dbraw/zinc/28/04/95/1025280495.db2.gz WDBYFDNBAYOHKF-UHFFFAOYSA-N 0 3 304.393 3.807 20 10 DHCDHN Cc1ccc2nc(C[N@H+]3CCc4cccc([O-])c4C3)ccc2c1 ZINC001137217403 1025280501 /nfs/dbraw/zinc/28/05/01/1025280501.db2.gz WDBYFDNBAYOHKF-UHFFFAOYSA-N 0 3 304.393 3.807 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464659 1025368818 /nfs/dbraw/zinc/36/88/18/1025368818.db2.gz NTDOIBKRGFCFMG-ZDUSSCGKSA-N 0 3 300.358 3.502 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)c([O-])c1 ZINC000886362744 1025603448 /nfs/dbraw/zinc/60/34/48/1025603448.db2.gz KZXWTRPCBVCLDB-KRWDZBQOSA-N 0 3 301.361 3.707 20 10 DHCDHN CC(C)[C@@H](NCc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC000886502733 1025658007 /nfs/dbraw/zinc/65/80/07/1025658007.db2.gz LUXBMBQVUOPBRM-LJQANCHMSA-N 0 3 312.461 3.507 20 10 DHCDHN Brc1csc(CNCc2ccc3c(c2)CCO3)c1 ZINC000070213196 1025686612 /nfs/dbraw/zinc/68/66/12/1025686612.db2.gz JAJYLRKOALGBJN-UHFFFAOYSA-N 0 3 324.243 3.735 20 10 DHCDHN C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1c([O-])cccc1F ZINC000886584184 1025719642 /nfs/dbraw/zinc/71/96/42/1025719642.db2.gz KCYDRFZRKZROQY-ZDUSSCGKSA-N 0 3 318.392 3.645 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806128288 1025791914 /nfs/dbraw/zinc/79/19/14/1025791914.db2.gz QLQBOYUQQKDEDK-HNNXBMFYSA-N 0 3 301.821 3.578 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806128289 1025793101 /nfs/dbraw/zinc/79/31/01/1025793101.db2.gz QLQBOYUQQKDEDK-OAHLLOKOSA-N 0 3 301.821 3.578 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(Cl)c2OC)c1 ZINC000897481336 1025802916 /nfs/dbraw/zinc/80/29/16/1025802916.db2.gz CUZCBIWZSCIPOJ-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC000289914950 1026231303 /nfs/dbraw/zinc/23/13/03/1026231303.db2.gz VGDPVULMWOTHLK-SFHVURJKSA-N 0 3 312.413 3.913 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC000289914950 1026231310 /nfs/dbraw/zinc/23/13/10/1026231310.db2.gz VGDPVULMWOTHLK-SFHVURJKSA-N 0 3 312.413 3.913 20 10 DHCDHN COc1cc(C)cc(CNCc2ccc([C@H]3C[C@H]3C)o2)c1O ZINC000894193525 1026338324 /nfs/dbraw/zinc/33/83/24/1026338324.db2.gz RORLBRDRQJGKMR-DOMZBBRYSA-N 0 3 301.386 3.715 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(CO)c2)c1[O-] ZINC000808691944 1026349561 /nfs/dbraw/zinc/34/95/61/1026349561.db2.gz LCMZUKKINHJJBV-LBPRGKRZSA-N 0 3 305.805 3.697 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808691753 1026350537 /nfs/dbraw/zinc/35/05/37/1026350537.db2.gz NOMVWYGIKQZCIT-DGCLKSJQSA-N 0 3 321.852 3.846 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000808672831 1026353546 /nfs/dbraw/zinc/35/35/46/1026353546.db2.gz SDHDRLGEYFQMLZ-DOMZBBRYSA-N 0 3 322.836 3.901 20 10 DHCDHN COc1ncccc1CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808675821 1026353643 /nfs/dbraw/zinc/35/36/43/1026353643.db2.gz UFLNUGLAHGXQSG-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000808677013 1026355596 /nfs/dbraw/zinc/35/55/96/1026355596.db2.gz OJTQJXRNPUXSGM-APHBMKBZSA-N 0 3 308.853 3.631 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1[O-] ZINC000808679628 1026355706 /nfs/dbraw/zinc/35/57/06/1026355706.db2.gz VIVNNEMNDHHYNA-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1[O-] ZINC000808727756 1026358264 /nfs/dbraw/zinc/35/82/64/1026358264.db2.gz JMMRHXFOJDIUEH-RDJZCZTQSA-N 0 3 315.388 3.884 20 10 DHCDHN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])[nH]n1 ZINC000808706209 1026358502 /nfs/dbraw/zinc/35/85/02/1026358502.db2.gz FFJYXIHSBIFWRA-ZYHUDNBSSA-N 0 3 307.825 3.667 20 10 DHCDHN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n[nH]1 ZINC000808706209 1026358514 /nfs/dbraw/zinc/35/85/14/1026358514.db2.gz FFJYXIHSBIFWRA-ZYHUDNBSSA-N 0 3 307.825 3.667 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)c1[O-] ZINC000808709491 1026359770 /nfs/dbraw/zinc/35/97/70/1026359770.db2.gz WUJJFLNDDDFZPX-LBPRGKRZSA-N 0 3 319.836 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)NCc2cccc(N(C)C)n2)c1O ZINC000808709491 1026359780 /nfs/dbraw/zinc/35/97/80/1026359780.db2.gz WUJJFLNDDDFZPX-LBPRGKRZSA-N 0 3 319.836 3.666 20 10 DHCDHN CN(C)c1ccc(CN(C)Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000178864426 1026433680 /nfs/dbraw/zinc/43/36/80/1026433680.db2.gz FRDDTRMKVCASDR-UHFFFAOYSA-N 0 3 320.440 3.775 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(C)cc1[O-] ZINC000280028796 1026575243 /nfs/dbraw/zinc/57/52/43/1026575243.db2.gz HZDTVLHWRJIUBW-HZPDHXFCSA-N 0 3 302.418 3.637 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000809701179 1026589054 /nfs/dbraw/zinc/58/90/54/1026589054.db2.gz VESDYJMAEZVSNW-CZUORRHYSA-N 0 3 311.853 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000809701179 1026589061 /nfs/dbraw/zinc/58/90/61/1026589061.db2.gz VESDYJMAEZVSNW-CZUORRHYSA-N 0 3 311.853 3.870 20 10 DHCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809689611 1026595248 /nfs/dbraw/zinc/59/52/48/1026595248.db2.gz RXTGGFHBMHRINS-KRWDZBQOSA-N 0 3 319.832 3.740 20 10 DHCDHN CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(C)cc1[O-] ZINC000280189203 1026607151 /nfs/dbraw/zinc/60/71/51/1026607151.db2.gz SDQHSKPJUSVBPF-KRWDZBQOSA-N 0 3 318.461 3.534 20 10 DHCDHN COc1cccc(CNCc2cnc(C3CCCC3)s2)c1O ZINC000809739881 1026611437 /nfs/dbraw/zinc/61/14/37/1026611437.db2.gz FTUNJVCAIAWHBB-UHFFFAOYSA-N 0 3 318.442 3.805 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000811518438 1027019540 /nfs/dbraw/zinc/01/95/40/1027019540.db2.gz KMHUVLYLQLKKHI-NVXWUHKLSA-N 0 3 321.848 3.888 20 10 DHCDHN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870330 1027471206 /nfs/dbraw/zinc/47/12/06/1027471206.db2.gz GDYNSSQCOMASIB-RDTXWAMCSA-N 0 3 300.450 3.771 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CCC(C)(F)F)c1[O-] ZINC000296047816 1027525107 /nfs/dbraw/zinc/52/51/07/1027525107.db2.gz OIZZQTCEWBTNOZ-UHFFFAOYSA-N 0 3 308.166 3.598 20 10 DHCDHN CCOc1ccc(CN[C@@H](CCOC)c2ccc(C)o2)c(O)c1 ZINC000778120402 1027607307 /nfs/dbraw/zinc/60/73/07/1027607307.db2.gz FVKYEFYSPIQWCF-INIZCTEOSA-N 0 3 319.401 3.560 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)c([O-])c1 ZINC000778120402 1027607314 /nfs/dbraw/zinc/60/73/14/1027607314.db2.gz FVKYEFYSPIQWCF-INIZCTEOSA-N 0 3 319.401 3.560 20 10 DHCDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296470229 1027647731 /nfs/dbraw/zinc/64/77/31/1027647731.db2.gz OJTHKPIRHNHWHB-MLGOLLRUSA-N 0 3 313.445 3.990 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000779002754 1027750843 /nfs/dbraw/zinc/75/08/43/1027750843.db2.gz NUQBYWDSJGHHKI-PKOBYXMFSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000779002754 1027750858 /nfs/dbraw/zinc/75/08/58/1027750858.db2.gz NUQBYWDSJGHHKI-PKOBYXMFSA-N 0 3 315.388 3.619 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc(F)ccc1[O-] ZINC000527954163 1027987579 /nfs/dbraw/zinc/98/75/79/1027987579.db2.gz YTXMMVUKYLYADC-XJKSGUPXSA-N 0 3 306.425 3.589 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365623111 1027987950 /nfs/dbraw/zinc/98/79/50/1027987950.db2.gz PQZXSOBAFFXADT-NXHRZFHOSA-N 0 3 301.430 3.877 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365623111 1027987969 /nfs/dbraw/zinc/98/79/69/1027987969.db2.gz PQZXSOBAFFXADT-NXHRZFHOSA-N 0 3 301.430 3.877 20 10 DHCDHN COCCC1CC[NH+]([C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000527933802 1027993601 /nfs/dbraw/zinc/99/36/01/1027993601.db2.gz IGNJQVSQWYVTDS-DOMZBBRYSA-N 0 3 307.409 3.828 20 10 DHCDHN Cc1nc2c(s1)CCC[C@H]2C[NH2+][C@H](C)c1ccccc1[O-] ZINC000366496682 1028088566 /nfs/dbraw/zinc/08/85/66/1028088566.db2.gz YJPZUEMBVCZQNE-YPMHNXCESA-N 0 3 302.443 3.928 20 10 DHCDHN CN(C)c1ccc(CN(C)Cc2cccc(OC(F)F)c2)cc1 ZINC000747966253 1028142900 /nfs/dbraw/zinc/14/29/00/1028142900.db2.gz VZENTCLAJNGDPJ-UHFFFAOYSA-N 0 3 320.383 3.986 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000779087371 1028222284 /nfs/dbraw/zinc/22/22/84/1028222284.db2.gz LBDVSUILGPMSOF-FTLABTOESA-N 0 3 301.361 3.574 20 10 DHCDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779107278 1028286426 /nfs/dbraw/zinc/28/64/26/1028286426.db2.gz XNBJZEHYTSCIKB-DIFFPNOSSA-N 0 3 307.340 3.536 20 10 DHCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c([O-])c1 ZINC000368523632 1028366102 /nfs/dbraw/zinc/36/61/02/1028366102.db2.gz VNCFYXSMJJGQGT-WMLDXEAASA-N 0 3 312.413 3.612 20 10 DHCDHN CCc1nc(C)c([C@H](C)NCc2ccc3c(c2)CCN3C)s1 ZINC000368740874 1028400882 /nfs/dbraw/zinc/40/08/82/1028400882.db2.gz PTSVMCYPTNLOIL-LBPRGKRZSA-N 0 3 315.486 3.857 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369878252 1028542416 /nfs/dbraw/zinc/54/24/16/1028542416.db2.gz OWVHLWKADCBOTI-HKUYNNGSSA-N 0 3 315.388 3.576 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369878252 1028542423 /nfs/dbraw/zinc/54/24/23/1028542423.db2.gz OWVHLWKADCBOTI-HKUYNNGSSA-N 0 3 315.388 3.576 20 10 DHCDHN C[C@H](C[C@H](C)O)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815614826 1028570427 /nfs/dbraw/zinc/57/04/27/1028570427.db2.gz BRYYLGOHWJLTQA-JTDSTZFVSA-N 0 3 313.441 3.815 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c([O-])c1 ZINC000815622027 1028573916 /nfs/dbraw/zinc/57/39/16/1028573916.db2.gz JSZKJBNLLHXYJW-OAHLLOKOSA-N 0 3 303.446 3.602 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000815648523 1028591630 /nfs/dbraw/zinc/59/16/30/1028591630.db2.gz PLNXUDDVRPFVCK-IVMMDQJWSA-N 0 3 321.436 3.858 20 10 DHCDHN CCCN1CCC([N@H+](C)Cc2ccc3ccccc3c2[O-])CC1 ZINC000816493741 1028897925 /nfs/dbraw/zinc/89/79/25/1028897925.db2.gz LYPLCHJVOMOCIF-UHFFFAOYSA-N 0 3 312.457 3.852 20 10 DHCDHN CCCN1CCC([N@@H+](C)Cc2ccc3ccccc3c2[O-])CC1 ZINC000816493741 1028897939 /nfs/dbraw/zinc/89/79/39/1028897939.db2.gz LYPLCHJVOMOCIF-UHFFFAOYSA-N 0 3 312.457 3.852 20 10 DHCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000816515136 1028919307 /nfs/dbraw/zinc/91/93/07/1028919307.db2.gz QIXJSPKRWRHLHQ-QAPCUYQASA-N 0 3 312.457 3.850 20 10 DHCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000816515136 1028919318 /nfs/dbraw/zinc/91/93/18/1028919318.db2.gz QIXJSPKRWRHLHQ-QAPCUYQASA-N 0 3 312.457 3.850 20 10 DHCDHN C[C@@H]1CCCCN1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530049 1028922818 /nfs/dbraw/zinc/92/28/18/1028922818.db2.gz RFGRXCMMWSNBEC-GFCCVEGCSA-N 0 3 314.832 3.539 20 10 DHCDHN COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cn1 ZINC000816568826 1028949335 /nfs/dbraw/zinc/94/93/35/1028949335.db2.gz RCCZGWFTYUMORG-UHFFFAOYSA-N 0 3 308.381 3.581 20 10 DHCDHN COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cn1 ZINC000816568826 1028949344 /nfs/dbraw/zinc/94/93/44/1028949344.db2.gz RCCZGWFTYUMORG-UHFFFAOYSA-N 0 3 308.381 3.581 20 10 DHCDHN CN(C)CC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCC1 ZINC000816569194 1028950405 /nfs/dbraw/zinc/95/04/05/1028950405.db2.gz BVHROUMUQGUQFR-UHFFFAOYSA-N 0 3 312.457 3.757 20 10 DHCDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1[O-])CC3 ZINC000778640452 1029056825 /nfs/dbraw/zinc/05/68/25/1029056825.db2.gz LQEQIHVLNVFUMG-HNNXBMFYSA-N 0 3 306.409 3.829 20 10 DHCDHN CC[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000373522983 1029068401 /nfs/dbraw/zinc/06/84/01/1029068401.db2.gz OGQJXFGRMMDNQK-WDSOQIARSA-N 0 3 303.446 3.947 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000817412162 1029152548 /nfs/dbraw/zinc/15/25/48/1029152548.db2.gz FBFDHWSHHVPUCO-LBPRGKRZSA-N 0 3 317.351 3.955 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000817412162 1029152556 /nfs/dbraw/zinc/15/25/56/1029152556.db2.gz FBFDHWSHHVPUCO-LBPRGKRZSA-N 0 3 317.351 3.955 20 10 DHCDHN CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000817952273 1029294320 /nfs/dbraw/zinc/29/43/20/1029294320.db2.gz DGVBHLFYZITFNF-MSOLQXFVSA-N 0 3 310.441 3.793 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971528 1029310471 /nfs/dbraw/zinc/31/04/71/1029310471.db2.gz NQKHHXNIHMFRLG-NRUUGDAUSA-N 0 3 317.260 3.880 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(F)ccc1[O-] ZINC000817976207 1029314847 /nfs/dbraw/zinc/31/48/47/1029314847.db2.gz VWYLRWPACGGPHR-GFCCVEGCSA-N 0 3 300.377 3.740 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000818361293 1029384838 /nfs/dbraw/zinc/38/48/38/1029384838.db2.gz WFRPVBODVBEBIW-HNCHTBHHSA-N 0 3 310.235 3.912 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000865650919 1029959350 /nfs/dbraw/zinc/95/93/50/1029959350.db2.gz LKEDQXQDLOJVSR-WBVHZDCISA-N 0 3 321.779 3.805 20 10 DHCDHN CC(C)[C@H](NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000866248908 1030178119 /nfs/dbraw/zinc/17/81/19/1030178119.db2.gz UKVRWRXRMHZQTE-FQEVSTJZSA-N 0 3 309.457 3.951 20 10 DHCDHN C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866409551 1030285775 /nfs/dbraw/zinc/28/57/75/1030285775.db2.gz NHXSTRPTXJXZQA-BDJLRTHQSA-N 0 3 323.795 3.959 20 10 DHCDHN CC[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(C)cc1[O-] ZINC000866573806 1030385104 /nfs/dbraw/zinc/38/51/04/1030385104.db2.gz NXZITWREBKXKBE-SFHVURJKSA-N 0 3 323.440 3.871 20 10 DHCDHN C[C@@H](NCc1cc(N)ccn1)c1ccc(N2CCCCCC2)cc1 ZINC000925770041 1030486476 /nfs/dbraw/zinc/48/64/76/1030486476.db2.gz FFNZQUWTLURBDZ-MRXNPFEDSA-N 0 3 324.472 3.895 20 10 DHCDHN COc1cccc(O)c1CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000824468121 1030567652 /nfs/dbraw/zinc/56/76/52/1030567652.db2.gz CGFWPFKJCKCUDB-MRXNPFEDSA-N 0 3 319.351 3.846 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000824468121 1030567662 /nfs/dbraw/zinc/56/76/62/1030567662.db2.gz CGFWPFKJCKCUDB-MRXNPFEDSA-N 0 3 319.351 3.846 20 10 DHCDHN Cc1cc([O-])c(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000824850294 1030655161 /nfs/dbraw/zinc/65/51/61/1030655161.db2.gz KUSLTZOYYRJXLQ-INIZCTEOSA-N 0 3 322.880 3.804 20 10 DHCDHN CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824870867 1030668751 /nfs/dbraw/zinc/66/87/51/1030668751.db2.gz YGBLHAZGSNDESV-AWEZNQCLSA-N 0 3 310.869 3.518 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000825311845 1030785379 /nfs/dbraw/zinc/78/53/79/1030785379.db2.gz OQVPBIWBRUUXQJ-MRXNPFEDSA-N 0 3 321.417 3.586 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000122793825 1030871095 /nfs/dbraw/zinc/87/10/95/1030871095.db2.gz PHKCSGCJFBOFER-OAHLLOKOSA-N 0 3 300.450 3.689 20 10 DHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccsc1)OCO2 ZINC000054513362 1030982097 /nfs/dbraw/zinc/98/20/97/1030982097.db2.gz IINHQHRJWYQSLP-CYBMUJFWSA-N 0 3 303.383 3.520 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2cc(C3CC3)nn2C)cc1 ZINC000927098378 1031083346 /nfs/dbraw/zinc/08/33/46/1031083346.db2.gz HQDUZFGXPBVHNI-CQSZACIVSA-N 0 3 312.461 3.604 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1OCCc3ccccc31)CC2 ZINC000927113237 1031098079 /nfs/dbraw/zinc/09/80/79/1031098079.db2.gz XUUKSHQOTBCGCZ-MJGOQNOKSA-N 0 3 309.409 3.673 20 10 DHCDHN CCc1onc(C)c1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000927137659 1031111545 /nfs/dbraw/zinc/11/15/45/1031111545.db2.gz AGOWSQAXMXQABZ-TVQRCGJNSA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1onc(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000927137659 1031111556 /nfs/dbraw/zinc/11/15/56/1031111556.db2.gz AGOWSQAXMXQABZ-TVQRCGJNSA-N 0 3 304.365 3.728 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([O-])c1 ZINC000292742496 1031152984 /nfs/dbraw/zinc/15/29/84/1031152984.db2.gz HOFDIAJNFVPZSL-CVEARBPZSA-N 0 3 311.372 3.658 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([O-])c1 ZINC000292742496 1031152994 /nfs/dbraw/zinc/15/29/94/1031152994.db2.gz HOFDIAJNFVPZSL-CVEARBPZSA-N 0 3 311.372 3.658 20 10 DHCDHN Cc1nc([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000360262654 1031354516 /nfs/dbraw/zinc/35/45/16/1031354516.db2.gz UXTLNCAHEUPXKT-HNNXBMFYSA-N 0 3 323.396 3.616 20 10 DHCDHN Cc1nc([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000360262654 1031354526 /nfs/dbraw/zinc/35/45/26/1031354526.db2.gz UXTLNCAHEUPXKT-HNNXBMFYSA-N 0 3 323.396 3.616 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000844920641 1031400644 /nfs/dbraw/zinc/40/06/44/1031400644.db2.gz NKEGAGRHFXRDOF-KFNAQCHYSA-N 0 3 312.388 3.706 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000872133933 1031527139 /nfs/dbraw/zinc/52/71/39/1031527139.db2.gz UABYBURQDJKRAB-ULFGMLNVSA-N 0 3 303.377 3.694 20 10 DHCDHN C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C)c1ccccc1[O-] ZINC000360709352 1031532097 /nfs/dbraw/zinc/53/20/97/1031532097.db2.gz CJEWONZNIJAEOX-BOUXLOLZSA-N 0 3 310.441 3.661 20 10 DHCDHN CCC[N@H+](Cc1cccc(OCC)n1)Cc1ccccc1[O-] ZINC000124040148 1031578168 /nfs/dbraw/zinc/57/81/68/1031578168.db2.gz VXTZXCHWRTULSL-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN CCC[N@@H+](Cc1cccc(OCC)n1)Cc1ccccc1[O-] ZINC000124040148 1031578177 /nfs/dbraw/zinc/57/81/77/1031578177.db2.gz VXTZXCHWRTULSL-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000293748318 1031599049 /nfs/dbraw/zinc/59/90/49/1031599049.db2.gz NZHZUOFTHMQDTN-PKOBYXMFSA-N 0 3 311.425 3.692 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000293779544 1031619101 /nfs/dbraw/zinc/61/91/01/1031619101.db2.gz QAZCAPLFCFTFKU-HKUYNNGSSA-N 0 3 311.425 3.835 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000293779545 1031619605 /nfs/dbraw/zinc/61/96/05/1031619605.db2.gz QAZCAPLFCFTFKU-IEBWSBKVSA-N 0 3 311.425 3.835 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)c([O-])c1 ZINC000873164527 1031734110 /nfs/dbraw/zinc/73/41/10/1031734110.db2.gz ITOSMJPTRDVEQC-UHFFFAOYSA-N 0 3 315.413 3.868 20 10 DHCDHN Cc1cc(O)c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000873183596 1031744395 /nfs/dbraw/zinc/74/43/95/1031744395.db2.gz VTHKOSDFJZXEHE-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cnc(C3CCC3)s2)c1 ZINC000845973445 1031789740 /nfs/dbraw/zinc/78/97/40/1031789740.db2.gz ZRVVBGUOONTGNM-NSHDSACASA-N 0 3 318.442 3.976 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1[O-] ZINC000846059986 1031817412 /nfs/dbraw/zinc/81/74/12/1031817412.db2.gz QLMSNDNWIZJVEH-SUMDDJOVSA-N 0 3 312.413 3.748 20 10 DHCDHN Oc1cc2c(cc1O)CN(Cc1cccc3cc[nH]c31)CCC2 ZINC001144718622 1031869879 /nfs/dbraw/zinc/86/98/79/1031869879.db2.gz UCWZPIHNAYRTLF-UHFFFAOYSA-N 0 3 308.381 3.528 20 10 DHCDHN CCOc1cc(C)ccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846150918 1031882193 /nfs/dbraw/zinc/88/21/93/1031882193.db2.gz TTYYIJUWXZVXIN-AWEZNQCLSA-N 0 3 315.413 3.959 20 10 DHCDHN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)c(O)c1C ZINC000846183482 1031916627 /nfs/dbraw/zinc/91/66/27/1031916627.db2.gz OTZXEBRGIZBYFR-DEYYWGMASA-N 0 3 317.404 3.921 20 10 DHCDHN Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000877519671 1033333464 /nfs/dbraw/zinc/33/34/64/1033333464.db2.gz ZEHHAKMEENOLML-HSALFYBXSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000877519671 1033333470 /nfs/dbraw/zinc/33/34/70/1033333470.db2.gz ZEHHAKMEENOLML-HSALFYBXSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000877576937 1033367741 /nfs/dbraw/zinc/36/77/41/1033367741.db2.gz RTVVNURTBGPTDP-UHFFFAOYSA-N 0 3 323.436 3.765 20 10 DHCDHN CCOP(=O)(CCC[NH2+][C@@H](C)c1ccccc1[O-])OCC ZINC000877758227 1033434100 /nfs/dbraw/zinc/43/41/00/1033434100.db2.gz OCIAELDXUKZIBJ-ZDUSSCGKSA-N 0 3 315.350 3.699 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(F)c(F)c1N(C)C)c1ccccc1[O-] ZINC000877758034 1033434771 /nfs/dbraw/zinc/43/47/71/1033434771.db2.gz FRENRLUGPYLYCX-NSHDSACASA-N 0 3 306.356 3.587 20 10 DHCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1O ZINC000877758340 1033434833 /nfs/dbraw/zinc/43/48/33/1033434833.db2.gz UCQPBAINTAALEE-NSHDSACASA-N 0 3 306.356 3.587 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1[O-] ZINC000877758340 1033434838 /nfs/dbraw/zinc/43/48/38/1033434838.db2.gz UCQPBAINTAALEE-NSHDSACASA-N 0 3 306.356 3.587 20 10 DHCDHN COc1cc2c(c(C[NH2+][C@@H](C)c3ccccc3[O-])c1)O[C@H](C)C2 ZINC000877757400 1033435349 /nfs/dbraw/zinc/43/53/49/1033435349.db2.gz XQNVZKOGZHYDSU-OLZOCXBDSA-N 0 3 313.397 3.575 20 10 DHCDHN COc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1OC(F)F ZINC000877756509 1033435558 /nfs/dbraw/zinc/43/55/58/1033435558.db2.gz OFAKGUCHGFQZTA-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN COc1cccc(CN[C@H](C)c2ccccc2O)c1OC(F)F ZINC000877756509 1033435563 /nfs/dbraw/zinc/43/55/63/1033435563.db2.gz OFAKGUCHGFQZTA-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN COc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000877757192 1033435829 /nfs/dbraw/zinc/43/58/29/1033435829.db2.gz MVSYSQUQUNHQDN-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]C2(C)CC(F)(F)C2)c1[O-] ZINC000877833927 1033479487 /nfs/dbraw/zinc/47/94/87/1033479487.db2.gz MVKHITKGBWEAIB-UHFFFAOYSA-N 0 3 320.177 3.741 20 10 DHCDHN CCc1ccc2c(C[NH2+][C@H](C)c3ccccc3[O-])cc(=O)oc2c1 ZINC000879648227 1034071041 /nfs/dbraw/zinc/07/10/41/1034071041.db2.gz FTASYDGDBVYMTN-CYBMUJFWSA-N 0 3 323.392 3.912 20 10 DHCDHN Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651952 1034074486 /nfs/dbraw/zinc/07/44/86/1034074486.db2.gz QRTVMMGPJWWXRT-STQMWFEESA-N 0 3 316.376 3.518 20 10 DHCDHN Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651790 1034075123 /nfs/dbraw/zinc/07/51/23/1034075123.db2.gz KTGGKXBQVIAUDF-GJZGRUSLSA-N 0 3 312.413 3.687 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)nc1 ZINC000179116384 1034285537 /nfs/dbraw/zinc/28/55/37/1034285537.db2.gz SFTQMBTZNHEKPY-ZDUSSCGKSA-N 0 3 315.848 3.968 20 10 DHCDHN Cc1cc(O)c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C(C)C ZINC000794647380 1034311565 /nfs/dbraw/zinc/31/15/65/1034311565.db2.gz OYXFFVMKRZQSAW-LIRRHRJNSA-N 0 3 303.446 3.823 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000183439903 1034385872 /nfs/dbraw/zinc/38/58/72/1034385872.db2.gz XQJBBTIHEBQUTL-CZUORRHYSA-N 0 3 313.397 3.965 20 10 DHCDHN CCCCOc1ncccc1CN[C@H](C)c1ccccc1O ZINC000183448722 1034389148 /nfs/dbraw/zinc/38/91/48/1034389148.db2.gz PWNUROAUNBZBFZ-CQSZACIVSA-N 0 3 300.402 3.817 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(C)cc1[O-] ZINC000794795120 1034466343 /nfs/dbraw/zinc/46/63/43/1034466343.db2.gz OHXULSNDYUQLCY-MRXNPFEDSA-N 0 3 303.377 3.959 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794797378 1034467708 /nfs/dbraw/zinc/46/77/08/1034467708.db2.gz YGXZQETVVBNAKC-MRXNPFEDSA-N 0 3 315.413 3.829 20 10 DHCDHN CC[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794800631 1034472226 /nfs/dbraw/zinc/47/22/26/1034472226.db2.gz DOHYWUNHPZEZFA-LJQANCHMSA-N 0 3 312.457 3.873 20 10 DHCDHN CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccc(C)cc1[O-] ZINC000794802167 1034473261 /nfs/dbraw/zinc/47/32/61/1034473261.db2.gz MXGSKONPZPDBOK-SFHVURJKSA-N 0 3 323.440 3.940 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794805553 1034490493 /nfs/dbraw/zinc/49/04/93/1034490493.db2.gz XEUYIGMGNXGYHW-FZKQIMNGSA-N 0 3 315.461 3.723 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000184885126 1034510571 /nfs/dbraw/zinc/51/05/71/1034510571.db2.gz XDAJMMAFDVGKTA-HUUCEWRRSA-N 0 3 322.412 3.693 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794809231 1034517310 /nfs/dbraw/zinc/51/73/10/1034517310.db2.gz DNRFCVPVPGHATI-ZWKOTPCHSA-N 0 3 324.424 3.547 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794816793 1034536924 /nfs/dbraw/zinc/53/69/24/1034536924.db2.gz KQKZIYHCLKEZSX-MJGOQNOKSA-N 0 3 313.441 3.735 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c([O-])c1 ZINC000185738374 1034571570 /nfs/dbraw/zinc/57/15/70/1034571570.db2.gz RBVUXWGGPDDXAR-JFIYKMOQSA-N 0 3 313.441 3.906 20 10 DHCDHN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000186131078 1034601562 /nfs/dbraw/zinc/60/15/62/1034601562.db2.gz WNNJUJFPCCLOJP-JSGCOSHPSA-N 0 3 309.413 3.859 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(F)ccc1[O-] ZINC000186610203 1034648810 /nfs/dbraw/zinc/64/88/10/1034648810.db2.gz SDHDAZSXMRAHSR-LBPRGKRZSA-N 0 3 303.377 3.610 20 10 DHCDHN COCCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187012469 1034679381 /nfs/dbraw/zinc/67/93/81/1034679381.db2.gz LRVZIDURTUXIOT-NSHDSACASA-N 0 3 316.239 3.540 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000191854524 1034766839 /nfs/dbraw/zinc/76/68/39/1034766839.db2.gz SFTOWVSIRIKKLS-WTANOLMUSA-N 0 3 315.388 3.960 20 10 DHCDHN Cc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc(C)n1 ZINC001176054625 1035198018 /nfs/dbraw/zinc/19/80/18/1035198018.db2.gz JLQFPEQGGQGYMU-SBQQNHAOSA-N 0 3 318.384 3.966 20 10 DHCDHN CSCC[C@H](C)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC001180017609 1035568384 /nfs/dbraw/zinc/56/83/84/1035568384.db2.gz HXVUIBJRIVQYLE-NSHDSACASA-N 0 3 302.434 3.604 20 10 DHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)CO1 ZINC001193838305 1035737599 /nfs/dbraw/zinc/73/75/99/1035737599.db2.gz ITSCSCQECXMJBM-QGZVFWFLSA-N 0 3 303.446 3.954 20 10 DHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)CO1 ZINC001193838305 1035737612 /nfs/dbraw/zinc/73/76/12/1035737612.db2.gz ITSCSCQECXMJBM-QGZVFWFLSA-N 0 3 303.446 3.954 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001204279539 1035765702 /nfs/dbraw/zinc/76/57/02/1035765702.db2.gz ANFMNUBOGBFEBK-UHFFFAOYSA-N 0 3 312.413 3.828 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001204279539 1035765714 /nfs/dbraw/zinc/76/57/14/1035765714.db2.gz ANFMNUBOGBFEBK-UHFFFAOYSA-N 0 3 312.413 3.828 20 10 DHCDHN CCN(CC)c1ccc(CN(C)Cc2cccc3nccn32)cc1 ZINC000775646251 1036175462 /nfs/dbraw/zinc/17/54/62/1036175462.db2.gz GDYDTRHHZDISBU-UHFFFAOYSA-N 0 3 322.456 3.813 20 10 DHCDHN Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000774486039 1036357398 /nfs/dbraw/zinc/35/73/98/1036357398.db2.gz UPIGDTBFCDCQPR-PVUWLOKVSA-N 0 3 315.388 3.711 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC3(CCC3)C2)c1[O-] ZINC000775701228 1036473405 /nfs/dbraw/zinc/47/34/05/1036473405.db2.gz PEVKVCVRPCLUTR-UHFFFAOYSA-N 0 3 310.235 3.839 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CCC3(CCC3)C2)c1[O-] ZINC000775701228 1036473414 /nfs/dbraw/zinc/47/34/14/1036473414.db2.gz PEVKVCVRPCLUTR-UHFFFAOYSA-N 0 3 310.235 3.839 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001183354422 1036571694 /nfs/dbraw/zinc/57/16/94/1036571694.db2.gz BHAUARWSBKUKRM-YQVWRLOYSA-N 0 3 324.468 3.953 20 10 DHCDHN Oc1ccc(CN(Cc2ccccn2)C2CCCCC2)cc1O ZINC001203878449 1036782628 /nfs/dbraw/zinc/78/26/28/1036782628.db2.gz ABFQWWKBLDXZDK-UHFFFAOYSA-N 0 3 312.413 3.828 20 10 DHCDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000774832207 1037046761 /nfs/dbraw/zinc/04/67/61/1037046761.db2.gz LASAEJNJAWVJLE-YLJYHZDGSA-N 0 3 311.425 3.964 20 10 DHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)nc1 ZINC000775972696 1037277166 /nfs/dbraw/zinc/27/71/66/1037277166.db2.gz PCRUZNGTJOVULF-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)nc1 ZINC000775972696 1037277183 /nfs/dbraw/zinc/27/71/83/1037277183.db2.gz PCRUZNGTJOVULF-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000776005990 1037301579 /nfs/dbraw/zinc/30/15/79/1037301579.db2.gz FRULDVLEYJOUQS-ZIAGYGMSSA-N 0 3 310.869 3.503 20 10 DHCDHN COc1ccc2c(c1)c1c(n2C)CCN(C[C@H]2CC=CCC2)C1 ZINC001201418938 1037658352 /nfs/dbraw/zinc/65/83/52/1037658352.db2.gz TWWFNNXCBAOGKJ-HNNXBMFYSA-N 0 3 310.441 3.901 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccccc1[O-] ZINC000156349107 1038048080 /nfs/dbraw/zinc/04/80/80/1038048080.db2.gz GITHLZMTBPBJGQ-AYBZRNKSSA-N 0 3 313.441 3.988 20 10 DHCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1=CCCCC1 ZINC000775318035 1038210590 /nfs/dbraw/zinc/21/05/90/1038210590.db2.gz DKJPWJLOXNAQNK-UHFFFAOYSA-N 0 3 303.402 3.737 20 10 DHCDHN Cc1ccc2ncc(CN[C@@H](C)c3ccc(N(C)C)cc3)n2c1 ZINC000775361198 1038273324 /nfs/dbraw/zinc/27/33/24/1038273324.db2.gz BEWJHVHMEVXQKY-HNNXBMFYSA-N 0 3 308.429 3.560 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000775485344 1038552317 /nfs/dbraw/zinc/55/23/17/1038552317.db2.gz RCTXCRFXIQBGNX-MRXNPFEDSA-N 0 3 308.853 3.713 20 10 DHCDHN CC[C@H]([NH2+]CCCN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775485404 1038552478 /nfs/dbraw/zinc/55/24/78/1038552478.db2.gz TZVYPCJTPJQOIZ-INIZCTEOSA-N 0 3 310.869 3.962 20 10 DHCDHN CC[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000775488326 1038562607 /nfs/dbraw/zinc/56/26/07/1038562607.db2.gz REXALGBPOLGNKB-HXUWFJFHSA-N 0 3 324.468 3.881 20 10 DHCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@@H]1CCCO1 ZINC000057100951 1038565085 /nfs/dbraw/zinc/56/50/85/1038565085.db2.gz UQUCDTDACFESTC-INIZCTEOSA-N 0 3 315.413 3.555 20 10 DHCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@@H]1CCCO1 ZINC000057100951 1038565093 /nfs/dbraw/zinc/56/50/93/1038565093.db2.gz UQUCDTDACFESTC-INIZCTEOSA-N 0 3 315.413 3.555 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1cc(Cl)ccc1[O-] ZINC000775500193 1038582956 /nfs/dbraw/zinc/58/29/56/1038582956.db2.gz ZMCIRNJMDFMMMX-LRDDRELGSA-N 0 3 321.852 3.928 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1cc(Cl)ccc1[O-] ZINC000775500194 1038582493 /nfs/dbraw/zinc/58/24/93/1038582493.db2.gz ZMCIRNJMDFMMMX-MLGOLLRUSA-N 0 3 321.852 3.928 20 10 DHCDHN CCOc1cccc(CN[C@@H](C)c2ccc(F)cc2F)c1O ZINC000236955650 202091394 /nfs/dbraw/zinc/09/13/94/202091394.db2.gz GTGAMXBECHIOEU-NSHDSACASA-N 0 3 307.340 3.920 20 10 DHCDHN CN(C)c1ccc(CNCc2cnc(C(C)(C)C)s2)cc1 ZINC000059180854 184135463 /nfs/dbraw/zinc/13/54/63/184135463.db2.gz HHFLUQOOTJJIQC-UHFFFAOYSA-N 0 3 303.475 3.796 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1[O-] ZINC000272859720 130069598 /nfs/dbraw/zinc/06/95/98/130069598.db2.gz MKEMBTNUNALLJM-OSRJUQGESA-N 0 3 303.427 3.541 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1[O-] ZINC000272875610 130070941 /nfs/dbraw/zinc/07/09/41/130070941.db2.gz POUVPNGPSABCFO-OAHLLOKOSA-N 0 3 311.429 3.628 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000273452853 130124077 /nfs/dbraw/zinc/12/40/77/130124077.db2.gz GKHYSHRBVMPBCK-DZKIICNBSA-N 0 3 307.434 3.645 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273449316 130124322 /nfs/dbraw/zinc/12/43/22/130124322.db2.gz FSTCXVMMTOIDIG-NJSLBKSFSA-N 0 3 317.404 3.921 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000273452856 130124435 /nfs/dbraw/zinc/12/44/35/130124435.db2.gz GKHYSHRBVMPBCK-SQWLQELKSA-N 0 3 307.434 3.645 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500977 130129001 /nfs/dbraw/zinc/12/90/01/130129001.db2.gz QDFBMKMUESISND-CABCVRRESA-N 0 3 321.486 3.796 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273563045 130137154 /nfs/dbraw/zinc/13/71/54/130137154.db2.gz ISEUGNVRSCYXPA-WFASDCNBSA-N 0 3 301.434 3.501 20 10 DHCDHN COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CCO2 ZINC000274330746 130226925 /nfs/dbraw/zinc/22/69/25/130226925.db2.gz ATFJGSJLOARJHC-BZNIZROVSA-N 0 3 317.360 3.714 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1[O-] ZINC000274787301 130262813 /nfs/dbraw/zinc/26/28/13/130262813.db2.gz QPJAMTBZEWWTSL-SRMJIJMDSA-N 0 3 317.454 3.932 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccccc1[O-] ZINC000284327075 131070323 /nfs/dbraw/zinc/07/03/23/131070323.db2.gz KLCPNUFYTDOOPP-ZDUSSCGKSA-N 0 3 308.328 3.630 20 10 DHCDHN C[C@@H](NCC1=CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287173085 131267862 /nfs/dbraw/zinc/26/78/62/131267862.db2.gz USZFKUXQPKCIKE-OAHLLOKOSA-N 0 3 318.436 3.813 20 10 DHCDHN CCCCN(Cc1cnc([C@@H](C)O)s1)Cc1ccccc1O ZINC000289546008 131394481 /nfs/dbraw/zinc/39/44/81/131394481.db2.gz FWYSHFDSEMPOKV-CYBMUJFWSA-N 0 3 320.458 3.704 20 10 DHCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000297386598 132013551 /nfs/dbraw/zinc/01/35/51/132013551.db2.gz RKXNCHIWIZFMHW-KOLCDFICSA-N 0 3 309.303 3.539 20 10 DHCDHN c1ncn2cc(CNCc3ccc(N4CCCCC4)cc3)ccc12 ZINC000297383759 132013692 /nfs/dbraw/zinc/01/36/92/132013692.db2.gz ATTUYUPYAHZHDW-UHFFFAOYSA-N 0 3 320.440 3.614 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCCOCc1ccccc1)CC2 ZINC000297654452 132027430 /nfs/dbraw/zinc/02/74/30/132027430.db2.gz KICMVALNJHTTFQ-SFHVURJKSA-N 0 3 311.425 3.966 20 10 DHCDHN Cc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1[O-] ZINC000294090026 335120182 /nfs/dbraw/zinc/12/01/82/335120182.db2.gz ZMMMILUZLNYRRJ-LJQANCHMSA-N 0 3 311.425 3.694 20 10 DHCDHN C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297129010 335150715 /nfs/dbraw/zinc/15/07/15/335150715.db2.gz YVOIFTFPXHYNKB-OSAQELSMSA-N 0 3 303.427 3.543 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1[O-] ZINC000281210498 334124092 /nfs/dbraw/zinc/12/40/92/334124092.db2.gz UEBMMPDZQRSTIK-VIFPVBQESA-N 0 3 305.752 3.579 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000192936146 336285234 /nfs/dbraw/zinc/28/52/34/336285234.db2.gz JTGFMKWWZZCXOP-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC(F)F)cc2)c1 ZINC000192936146 336285235 /nfs/dbraw/zinc/28/52/35/336285235.db2.gz JTGFMKWWZZCXOP-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000368795963 336852907 /nfs/dbraw/zinc/85/29/07/336852907.db2.gz HYLZKQHSVNZTTA-AEFFLSMTSA-N 0 3 319.445 3.503 20 10 DHCDHN Cc1csc(NC2CC[NH+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000373489092 336962127 /nfs/dbraw/zinc/96/21/27/336962127.db2.gz ILZPZFDYQXAGRR-UHFFFAOYSA-N 0 3 317.458 3.542 20 10 DHCDHN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000373522985 336963654 /nfs/dbraw/zinc/96/36/54/336963654.db2.gz OGQJXFGRMMDNQK-YTQUADARSA-N 0 3 303.446 3.947 20 10 DHCDHN Cc1n[nH]cc1C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000375265989 337006741 /nfs/dbraw/zinc/00/67/41/337006741.db2.gz KBZFZCWBTLWYKE-UHFFFAOYSA-N 0 3 319.836 3.765 20 10 DHCDHN COc1ccc(C[NH2+]C2CC(c3ccccc3F)C2)c([O-])c1 ZINC000376739733 337040274 /nfs/dbraw/zinc/04/02/74/337040274.db2.gz LLUBZHDDOZMMCC-UHFFFAOYSA-N 0 3 301.361 3.576 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000377696816 337058975 /nfs/dbraw/zinc/05/89/75/337058975.db2.gz NPQSZUCXRLMYQA-HHXXYDBFSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000377696816 337058976 /nfs/dbraw/zinc/05/89/76/337058976.db2.gz NPQSZUCXRLMYQA-HHXXYDBFSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377839306 337062346 /nfs/dbraw/zinc/06/23/46/337062346.db2.gz IBQFGJZGQNMGAB-HNNXBMFYSA-N 0 3 311.381 3.717 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377839306 337062347 /nfs/dbraw/zinc/06/23/47/337062347.db2.gz IBQFGJZGQNMGAB-HNNXBMFYSA-N 0 3 311.381 3.717 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1[O-] ZINC000180641061 337176900 /nfs/dbraw/zinc/17/69/00/337176900.db2.gz YQRWOTWFMUHYOW-HNNXBMFYSA-N 0 3 319.836 3.597 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1[O-] ZINC000180641061 337176901 /nfs/dbraw/zinc/17/69/01/337176901.db2.gz YQRWOTWFMUHYOW-HNNXBMFYSA-N 0 3 319.836 3.597 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183551545 337192131 /nfs/dbraw/zinc/19/21/31/337192131.db2.gz VQIMMWMPGJTSBG-OLZOCXBDSA-N 0 3 318.367 3.600 20 10 DHCDHN CCOc1ccc2c(c1)[C@@H](NCc1cccc(C)c1O)CCO2 ZINC000187589152 337267014 /nfs/dbraw/zinc/26/70/14/337267014.db2.gz BYTSTBCWWKZGKH-KRWDZBQOSA-N 0 3 313.397 3.713 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1[O-] ZINC000248541658 337564434 /nfs/dbraw/zinc/56/44/34/337564434.db2.gz CBDRYYUHWUMERX-CWLKWCNXSA-N 0 3 301.430 3.781 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000527771796 337762582 /nfs/dbraw/zinc/76/25/82/337762582.db2.gz JTYKOBSEPLMMSW-LJQANCHMSA-N 0 3 312.413 3.817 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C2CC2)cn1 ZINC000528041983 337785515 /nfs/dbraw/zinc/78/55/15/337785515.db2.gz BVIOEQJWISORRD-HNAYVOBHSA-N 0 3 310.397 3.524 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(OC)c1 ZINC000315375091 341657950 /nfs/dbraw/zinc/65/79/50/341657950.db2.gz CXZIJNXNZWFZOB-OLZOCXBDSA-N 0 3 301.386 3.821 20 10 DHCDHN CCCOc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])c(C)c1 ZINC000188791966 520369635 /nfs/dbraw/zinc/36/96/35/520369635.db2.gz MVMLOKWNPKHQRZ-UHFFFAOYSA-N 0 3 315.413 3.788 20 10 DHCDHN CCCOc1ccc(CNCc2cccc(OC)c2O)c(C)c1 ZINC000188791966 520369642 /nfs/dbraw/zinc/36/96/42/520369642.db2.gz MVMLOKWNPKHQRZ-UHFFFAOYSA-N 0 3 315.413 3.788 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H]2CCOc3c(F)cccc32)c1 ZINC000364629200 521155651 /nfs/dbraw/zinc/15/56/51/521155651.db2.gz GVNGSZGSRHOQHG-MRXNPFEDSA-N 0 3 317.360 3.543 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916480 522612220 /nfs/dbraw/zinc/61/22/20/522612220.db2.gz MPIHYGWXOUNNGR-IRXDYDNUSA-N 0 3 314.429 3.863 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156231702 522863475 /nfs/dbraw/zinc/86/34/75/522863475.db2.gz VUESBMJBWKSLIM-CZUORRHYSA-N 0 3 310.397 3.559 20 10 DHCDHN CN1CCCc2cc(CNCc3cccc4cc[nH]c43)ccc21 ZINC000237188784 523862615 /nfs/dbraw/zinc/86/26/15/523862615.db2.gz IZIAHYNAUFAZGH-UHFFFAOYSA-N 0 3 305.425 3.840 20 10 DHCDHN Cc1cccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000180471772 524408596 /nfs/dbraw/zinc/40/85/96/524408596.db2.gz ULZZCGOPXCBEHB-SFHVURJKSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000180471772 524408599 /nfs/dbraw/zinc/40/85/99/524408599.db2.gz ULZZCGOPXCBEHB-SFHVURJKSA-N 0 3 311.425 3.739 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000178241973 525526047 /nfs/dbraw/zinc/52/60/47/525526047.db2.gz HZPDSWGWQCPZSL-CYBMUJFWSA-N 0 3 320.433 3.575 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccccc1[O-] ZINC000183397613 525535487 /nfs/dbraw/zinc/53/54/87/525535487.db2.gz BKJSKCDINUEGGA-CQSZACIVSA-N 0 3 324.424 3.982 20 10 DHCDHN C[C@H](N[C@H]1c2cccc(F)c2O[C@H]1C)c1cc(F)ccc1O ZINC000368484742 525639599 /nfs/dbraw/zinc/63/95/99/525639599.db2.gz ZEQKYLJKMPDMHV-XQJJYNOISA-N 0 3 305.324 3.843 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c([O-])c1 ZINC000365154450 525948163 /nfs/dbraw/zinc/94/81/63/525948163.db2.gz GPCFVITWYPCATD-YYFZDKIDSA-N 0 3 311.425 3.647 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C)[C@H](F)C3)c2c1 ZINC000777965697 1032058970 /nfs/dbraw/zinc/05/89/70/1032058970.db2.gz FGCASYDLSNBMMI-SJKOYZFVSA-N 0 3 303.377 3.734 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C)[C@H](F)C3)c2c1 ZINC000777965697 1032058989 /nfs/dbraw/zinc/05/89/89/1032058989.db2.gz FGCASYDLSNBMMI-SJKOYZFVSA-N 0 3 303.377 3.734 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1[O-] ZINC000154916018 1013083072 /nfs/dbraw/zinc/08/30/72/1013083072.db2.gz ZIMLTHLOCFBOOX-KBXCAEBGSA-N 0 3 322.412 3.775 20 10 DHCDHN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000120846397 1013529964 /nfs/dbraw/zinc/52/99/64/1013529964.db2.gz KBXIDLAORRMALS-SNVBAGLBSA-N 0 3 321.323 3.592 20 10 DHCDHN Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000069287043 1013765933 /nfs/dbraw/zinc/76/59/33/1013765933.db2.gz MFXOJYHCZMHOQM-HNNXBMFYSA-N 0 3 314.429 3.584 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896529186 1015613303 /nfs/dbraw/zinc/61/33/03/1015613303.db2.gz YTYSICRRQDLDNH-CQSZACIVSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896529185 1015612902 /nfs/dbraw/zinc/61/29/02/1015612902.db2.gz YTYSICRRQDLDNH-AWEZNQCLSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896529185 1015612905 /nfs/dbraw/zinc/61/29/05/1015612905.db2.gz YTYSICRRQDLDNH-AWEZNQCLSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896529186 1015613311 /nfs/dbraw/zinc/61/33/11/1015613311.db2.gz YTYSICRRQDLDNH-CQSZACIVSA-N 0 3 302.443 3.612 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)O[C@@H](C)[C@@H]3C)c2c1 ZINC000783542355 1015760175 /nfs/dbraw/zinc/76/01/75/1015760175.db2.gz JYVIWGIVEHZARK-IHRRRGAJSA-N 0 3 315.413 3.552 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)O[C@@H](C)[C@@H]3C)c2c1 ZINC000783542355 1015760181 /nfs/dbraw/zinc/76/01/81/1015760181.db2.gz JYVIWGIVEHZARK-IHRRRGAJSA-N 0 3 315.413 3.552 20 10 DHCDHN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000277234224 1016091686 /nfs/dbraw/zinc/09/16/86/1016091686.db2.gz MPBFERVZEQOQAA-AVGNSLFASA-N 0 3 302.422 3.744 20 10 DHCDHN Cc1cccc(CN2CCN([C@@H](C)c3ccsc3)CC2)c1O ZINC000184971444 1016468617 /nfs/dbraw/zinc/46/86/17/1016468617.db2.gz FHJLIYZLRQJFTL-HNNXBMFYSA-N 0 3 316.470 3.641 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000185342180 1016859029 /nfs/dbraw/zinc/85/90/29/1016859029.db2.gz ZNIJQSFRRWMPQL-AWEZNQCLSA-N 0 3 322.449 3.608 20 10 DHCDHN COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185574765 1017024385 /nfs/dbraw/zinc/02/43/85/1017024385.db2.gz BAZMTISYEHKMMK-OLZOCXBDSA-N 0 3 319.376 3.658 20 10 DHCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185580417 1017030445 /nfs/dbraw/zinc/03/04/45/1017030445.db2.gz WMVXXNQKYTXGLQ-STQMWFEESA-N 0 3 319.376 3.658 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000192783942 1017058255 /nfs/dbraw/zinc/05/82/55/1017058255.db2.gz VYKGTFFLEAIIFZ-KBPBESRZSA-N 0 3 313.397 3.884 20 10 DHCDHN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000192838580 1017073271 /nfs/dbraw/zinc/07/32/71/1017073271.db2.gz KBUDCEKRKWWKIM-AWEZNQCLSA-N 0 3 310.441 3.823 20 10 DHCDHN Cc1cc([C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n[nH]1 ZINC000282815864 1032496757 /nfs/dbraw/zinc/49/67/57/1032496757.db2.gz AGTABWASJAXBCM-MRXNPFEDSA-N 0 3 321.424 3.957 20 10 DHCDHN Cc1cc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n[nH]1 ZINC000282815864 1032496771 /nfs/dbraw/zinc/49/67/71/1032496771.db2.gz AGTABWASJAXBCM-MRXNPFEDSA-N 0 3 321.424 3.957 20 10 DHCDHN CCN(CC)c1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1F ZINC000799736362 1012494829 /nfs/dbraw/zinc/49/48/29/1012494829.db2.gz OZELKHKMNBIDPZ-ZBFHGGJFSA-N 0 3 308.441 3.671 20 10 DHCDHN C[C@@H](CN(C)Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001208895173 1012769400 /nfs/dbraw/zinc/76/94/00/1012769400.db2.gz ZQMZTPHPWKEOEI-ZDUSSCGKSA-N 0 3 300.368 3.917 20 10 DHCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921501616 1017251398 /nfs/dbraw/zinc/25/13/98/1017251398.db2.gz LQADOUCNLMBVOM-CQSZACIVSA-N 0 3 324.424 3.821 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccccc1[O-] ZINC000716287104 1032690986 /nfs/dbraw/zinc/69/09/86/1032690986.db2.gz CTVDQSJOAMZWDR-HKUYNNGSSA-N 0 3 310.441 3.707 20 10 DHCDHN COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000840889154 1017404627 /nfs/dbraw/zinc/40/46/27/1017404627.db2.gz PBLPSWUMBZTFNU-RYQLBKOJSA-N 0 3 309.409 3.781 20 10 DHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)C(C)(C)C)c1[O-] ZINC000112375948 1017502684 /nfs/dbraw/zinc/50/26/84/1017502684.db2.gz ATXCLTORBASBHQ-SECBINFHSA-N 0 3 316.239 3.688 20 10 DHCDHN COc1cccc(CNCc2cccc(Cl)c2Cl)c1O ZINC000693677668 1017958275 /nfs/dbraw/zinc/95/82/75/1017958275.db2.gz YJFDOZMUJUWQME-UHFFFAOYSA-N 0 3 312.196 3.997 20 10 DHCDHN COc1ccc2oc(CNCc3ccc(N(C)C)cc3)cc2c1 ZINC000122983026 1018035491 /nfs/dbraw/zinc/03/54/91/1018035491.db2.gz YYMQQGUUIUHIRE-UHFFFAOYSA-N 0 3 310.397 3.797 20 10 DHCDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000765098832 1018475081 /nfs/dbraw/zinc/47/50/81/1018475081.db2.gz DBUHCDCIKDFXCO-AWEZNQCLSA-N 0 3 314.429 3.621 20 10 DHCDHN CCOCc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921520702 1018811990 /nfs/dbraw/zinc/81/19/90/1018811990.db2.gz JLKJEWDCJATOKL-UHFFFAOYSA-N 0 3 311.425 3.838 20 10 DHCDHN CCCOc1ccc(CNCc2cc(C)cc(Cl)n2)c(O)c1 ZINC000282152158 1018816720 /nfs/dbraw/zinc/81/67/20/1018816720.db2.gz WZQNRFHGCXVDCS-UHFFFAOYSA-N 0 3 320.820 3.828 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282529641 1018914007 /nfs/dbraw/zinc/91/40/07/1018914007.db2.gz VFCREGWGSMDHEY-KBXCAEBGSA-N 0 3 312.461 3.604 20 10 DHCDHN CCc1nc2c(s1)[C@H](NCc1ccc3c(c1)CCO3)CCC2 ZINC000765610670 1019001432 /nfs/dbraw/zinc/00/14/32/1019001432.db2.gz WWPIOACWKZFKNF-CQSZACIVSA-N 0 3 314.454 3.808 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000921553393 1019049560 /nfs/dbraw/zinc/04/95/60/1019049560.db2.gz UCTPJHGEGAYYCJ-CYBMUJFWSA-N 0 3 312.369 3.771 20 10 DHCDHN CCOc1ccc(C[NH2+]CC(C)(C)C(F)(F)CC)c([O-])c1 ZINC000858270479 1032825305 /nfs/dbraw/zinc/82/53/05/1032825305.db2.gz CEGIZKVFLSENMH-UHFFFAOYSA-N 0 3 301.377 3.952 20 10 DHCDHN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(cc1O)CCC2 ZINC000727429370 1019712282 /nfs/dbraw/zinc/71/22/82/1019712282.db2.gz JRSRSKVXTWJAGM-VFNWGFHPSA-N 0 3 323.436 3.843 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1OC ZINC000727831003 1019818386 /nfs/dbraw/zinc/81/83/86/1019818386.db2.gz BGUGLYFPPDUYLY-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1OC ZINC000727831003 1019818391 /nfs/dbraw/zinc/81/83/91/1019818391.db2.gz BGUGLYFPPDUYLY-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000765992298 1020127326 /nfs/dbraw/zinc/12/73/26/1020127326.db2.gz IFWTXOQZYACQMP-IAGOWNOFSA-N 0 3 322.880 3.788 20 10 DHCDHN CC[C@H](NCc1cccc(OC)c1O)c1cc(F)ccc1OC ZINC000922620920 1020167415 /nfs/dbraw/zinc/16/74/15/1020167415.db2.gz GAVUSVJOEGBEAY-HNNXBMFYSA-N 0 3 319.376 3.789 20 10 DHCDHN COc1cc(C)cc(CN2CCc3sccc3[C@@H]2C)c1O ZINC000732526605 1020249618 /nfs/dbraw/zinc/24/96/18/1020249618.db2.gz MTUSUEALYLKKMT-LBPRGKRZSA-N 0 3 303.427 3.890 20 10 DHCDHN Cc1ncsc1CN(C)Cc1cc2c(cc1O)CCCC2 ZINC000179443918 1020349579 /nfs/dbraw/zinc/34/95/79/1020349579.db2.gz CKWXJXVADBYBIX-UHFFFAOYSA-N 0 3 302.443 3.668 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000765819667 1020393107 /nfs/dbraw/zinc/39/31/07/1020393107.db2.gz VOHQHAMSAMMTMB-UUFMSHNVSA-N 0 3 305.393 3.627 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044225 1020581640 /nfs/dbraw/zinc/58/16/40/1020581640.db2.gz OAVZHBLECBDQRM-KUHUBIRLSA-N 0 3 324.472 3.969 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1cnc2ccccc2c1 ZINC000734510754 1020617751 /nfs/dbraw/zinc/61/77/51/1020617751.db2.gz ZCTLAXIZHNSMHV-UHFFFAOYSA-N 0 3 305.425 3.899 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000725845758 1020683802 /nfs/dbraw/zinc/68/38/02/1020683802.db2.gz HSTODZBSBXHNMF-PMACEKPBSA-N 0 3 322.452 3.776 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCCOC(C)C)c2c1 ZINC000740860164 1020955362 /nfs/dbraw/zinc/95/53/62/1020955362.db2.gz YQHQZQXHJRKIOZ-UHFFFAOYSA-N 0 3 317.429 3.801 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCCOC(C)C)c2c1 ZINC000740860164 1020955372 /nfs/dbraw/zinc/95/53/72/1020955372.db2.gz YQHQZQXHJRKIOZ-UHFFFAOYSA-N 0 3 317.429 3.801 20 10 DHCDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]2CCO[C@@H]21 ZINC000741255131 1020994754 /nfs/dbraw/zinc/99/47/54/1020994754.db2.gz GCCDRMGVOVAKLE-SXLOBPIMSA-N 0 3 323.436 3.962 20 10 DHCDHN Cc1cc(O)c(CN2CCC[C@H](OCC(F)(F)F)C2)cc1C ZINC000742367056 1021107282 /nfs/dbraw/zinc/10/72/82/1021107282.db2.gz HOUYYOAKYXTNJL-AWEZNQCLSA-N 0 3 317.351 3.552 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(F)ccc1[O-] ZINC000176986273 1021192522 /nfs/dbraw/zinc/19/25/22/1021192522.db2.gz XJYJMOXLKJNEFD-ZDUSSCGKSA-N 0 3 311.360 3.568 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC(C)(C)C2)c1[O-] ZINC000743391445 1021281757 /nfs/dbraw/zinc/28/17/57/1021281757.db2.gz UZYQNLKYYNCVBR-UHFFFAOYSA-N 0 3 313.397 3.564 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC(C)(C)C2)c1[O-] ZINC000743391445 1021281762 /nfs/dbraw/zinc/28/17/62/1021281762.db2.gz UZYQNLKYYNCVBR-UHFFFAOYSA-N 0 3 313.397 3.564 20 10 DHCDHN CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000743400154 1021285320 /nfs/dbraw/zinc/28/53/20/1021285320.db2.gz JDLJPJHOWFHULN-AWEZNQCLSA-N 0 3 309.475 3.723 20 10 DHCDHN COc1ccc(N2CC[C@@H](NCc3ccsc3Cl)C2)cc1 ZINC000850346469 1021481579 /nfs/dbraw/zinc/48/15/79/1021481579.db2.gz GISOXKHQBKCZBS-CYBMUJFWSA-N 0 3 322.861 3.779 20 10 DHCDHN COc1ccc(N2CC[C@@H](NCc3sccc3Cl)C2)cc1 ZINC000850347799 1021481625 /nfs/dbraw/zinc/48/16/25/1021481625.db2.gz XVJIOMHDUYSWAF-GFCCVEGCSA-N 0 3 322.861 3.779 20 10 DHCDHN CC(C)[C@@H](O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395202 1021508236 /nfs/dbraw/zinc/50/82/36/1021508236.db2.gz OEYIQBABMSSASK-VQTJNVASSA-N 0 3 312.457 3.600 20 10 DHCDHN COc1cccc(OC)c1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000850504849 1021566971 /nfs/dbraw/zinc/56/69/71/1021566971.db2.gz GLLPEKXGHQVYEU-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000850515300 1021572667 /nfs/dbraw/zinc/57/26/67/1021572667.db2.gz VYFVWGNZPLIQFB-ZWKOTPCHSA-N 0 3 315.413 3.829 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850530068 1021581547 /nfs/dbraw/zinc/58/15/47/1021581547.db2.gz WUMQNMIZDBDWHE-KPOBHBOGSA-N 0 3 310.441 3.972 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccccc1[O-] ZINC000850537846 1021593697 /nfs/dbraw/zinc/59/36/97/1021593697.db2.gz AHIINZNXBPAPJM-MAUKXSAKSA-N 0 3 302.462 3.840 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000850572787 1021614734 /nfs/dbraw/zinc/61/47/34/1021614734.db2.gz GMBYUSXZCHVELQ-ZAAXVRCTSA-N 0 3 313.441 3.906 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000752264868 1022047266 /nfs/dbraw/zinc/04/72/66/1022047266.db2.gz GDIXZZOXJPQQBU-RYUDHWBXSA-N 0 3 317.351 3.859 20 10 DHCDHN CC[C@H](N[C@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401443 1022095295 /nfs/dbraw/zinc/09/52/95/1022095295.db2.gz QRSVQWJBKHQJEZ-VQTJNVASSA-N 0 3 312.457 3.835 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000183513998 1022162895 /nfs/dbraw/zinc/16/28/95/1022162895.db2.gz OYOBNHCKXFHXME-WMZOPIPTSA-N 0 3 310.441 3.707 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000183514060 1022167717 /nfs/dbraw/zinc/16/77/17/1022167717.db2.gz OYOBNHCKXFHXME-SJLPKXTDSA-N 0 3 310.441 3.707 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccccc1[O-] ZINC000183514571 1022169600 /nfs/dbraw/zinc/16/96/00/1022169600.db2.gz XDQJTURKJWKINN-BLLLJJGKSA-N 0 3 320.383 3.624 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000797602694 1022264426 /nfs/dbraw/zinc/26/44/26/1022264426.db2.gz VNGQEKJZMWFAJT-CYBMUJFWSA-N 0 3 303.837 3.960 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccnc(Cl)c1 ZINC000122939774 1022310550 /nfs/dbraw/zinc/31/05/50/1022310550.db2.gz KISJYEKCRIJCHO-ZDUSSCGKSA-N 0 3 315.848 3.968 20 10 DHCDHN COc1ccc(N2CCN(Cc3sccc3C)CC2)c(C)c1 ZINC001204023556 1022330185 /nfs/dbraw/zinc/33/01/85/1022330185.db2.gz HXFAFJSLCMHJJW-UHFFFAOYSA-N 0 3 316.470 3.696 20 10 DHCDHN Cc1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1O ZINC000179694946 1022511583 /nfs/dbraw/zinc/51/15/83/1022511583.db2.gz BIFIANFNFXOGIC-UHFFFAOYSA-N 0 3 312.369 3.773 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc2ccccc2c1[O-] ZINC000273303143 1022534570 /nfs/dbraw/zinc/53/45/70/1022534570.db2.gz CDBBVWRHUOEGFW-KYNGSXCRSA-N 0 3 310.441 3.823 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CCCCC23CC3)cc1Br ZINC001237682896 1022551784 /nfs/dbraw/zinc/55/17/84/1022551784.db2.gz ULJOLRHHYSDHEP-UHFFFAOYSA-N 0 3 310.235 3.982 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CCCCC23CC3)cc1Br ZINC001237682896 1022551792 /nfs/dbraw/zinc/55/17/92/1022551792.db2.gz ULJOLRHHYSDHEP-UHFFFAOYSA-N 0 3 310.235 3.982 20 10 DHCDHN COc1ccc(C[N@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000179889685 1022566194 /nfs/dbraw/zinc/56/61/94/1022566194.db2.gz MPSGTDRFRLLXMO-UHFFFAOYSA-N 0 3 301.361 3.705 20 10 DHCDHN COc1ccc(C[N@@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000179889685 1022566200 /nfs/dbraw/zinc/56/62/00/1022566200.db2.gz MPSGTDRFRLLXMO-UHFFFAOYSA-N 0 3 301.361 3.705 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccccc1[O-] ZINC000179887579 1022572835 /nfs/dbraw/zinc/57/28/35/1022572835.db2.gz DEUIVSZLLFOGME-VBKZILBWSA-N 0 3 307.393 3.930 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000876557525 1033091191 /nfs/dbraw/zinc/09/11/91/1033091191.db2.gz AWMAIACKJCFEDB-UHFFFAOYSA-N 0 3 319.408 3.866 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000876557525 1033091203 /nfs/dbraw/zinc/09/12/03/1033091203.db2.gz AWMAIACKJCFEDB-UHFFFAOYSA-N 0 3 319.408 3.866 20 10 DHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000768230175 1022929585 /nfs/dbraw/zinc/92/95/85/1022929585.db2.gz RZZFVUITTGRKJN-GOSISDBHSA-N 0 3 311.425 3.998 20 10 DHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000768230175 1022929594 /nfs/dbraw/zinc/92/95/94/1022929594.db2.gz RZZFVUITTGRKJN-GOSISDBHSA-N 0 3 311.425 3.998 20 10 DHCDHN CC(C)N(Cc1cnn2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000768350328 1022950734 /nfs/dbraw/zinc/95/07/34/1022950734.db2.gz DBVUMAVUNMBOQM-UHFFFAOYSA-N 0 3 322.456 3.811 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc2c(c1)OCCO2 ZINC000296048613 1023001843 /nfs/dbraw/zinc/00/18/43/1023001843.db2.gz RATVLKSJZNIMBU-SWLSCSKDSA-N 0 3 311.381 3.502 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1ccsc1Br)CC2 ZINC000296621298 1023010739 /nfs/dbraw/zinc/01/07/39/1023010739.db2.gz ZDYCPMICLHKZDN-NSHDSACASA-N 0 3 324.243 3.993 20 10 DHCDHN OCC[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000768946263 1023053633 /nfs/dbraw/zinc/05/36/33/1023053633.db2.gz LSHVPZFJQLLLOK-GOSISDBHSA-N 0 3 323.392 3.866 20 10 DHCDHN CCOc1cccc(CN2CCOc3ccccc3[C@@H]2C)c1O ZINC000768929699 1023060681 /nfs/dbraw/zinc/06/06/81/1023060681.db2.gz JYGDGMWTCWPDOE-AWEZNQCLSA-N 0 3 313.397 3.747 20 10 DHCDHN CC[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769005243 1023077613 /nfs/dbraw/zinc/07/76/13/1023077613.db2.gz ARXXVZVRKKWYHO-LBPRGKRZSA-N 0 3 314.223 3.538 20 10 DHCDHN CC[C@H]1CCC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769005243 1023077622 /nfs/dbraw/zinc/07/76/22/1023077622.db2.gz ARXXVZVRKKWYHO-LBPRGKRZSA-N 0 3 314.223 3.538 20 10 DHCDHN CCC[N@H+](Cc1cc(OC)cc(OC)c1)Cc1ccccc1[O-] ZINC000769201620 1023101073 /nfs/dbraw/zinc/10/10/73/1023101073.db2.gz YBXQIPSCIVPNJR-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCC[N@@H+](Cc1cc(OC)cc(OC)c1)Cc1ccccc1[O-] ZINC000769201620 1023101075 /nfs/dbraw/zinc/10/10/75/1023101075.db2.gz YBXQIPSCIVPNJR-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000769327025 1023122890 /nfs/dbraw/zinc/12/28/90/1023122890.db2.gz SXJAKZUEUAXTRR-FQEVSTJZSA-N 0 3 322.452 3.728 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000769327025 1023122895 /nfs/dbraw/zinc/12/28/95/1023122895.db2.gz SXJAKZUEUAXTRR-FQEVSTJZSA-N 0 3 322.452 3.728 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000769426841 1023147648 /nfs/dbraw/zinc/14/76/48/1023147648.db2.gz IRIDDLBLPBBZOC-SFHVURJKSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000769426841 1023147650 /nfs/dbraw/zinc/14/76/50/1023147650.db2.gz IRIDDLBLPBBZOC-SFHVURJKSA-N 0 3 315.438 3.691 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000769396513 1023149708 /nfs/dbraw/zinc/14/97/08/1023149708.db2.gz LYAHWVOWJFLRKO-HNNXBMFYSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000769396513 1023149712 /nfs/dbraw/zinc/14/97/12/1023149712.db2.gz LYAHWVOWJFLRKO-HNNXBMFYSA-N 0 3 315.388 3.920 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000769464782 1023159170 /nfs/dbraw/zinc/15/91/70/1023159170.db2.gz ANVMVIRFNUYCII-DZGCQCFKSA-N 0 3 315.388 3.918 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000769464782 1023159181 /nfs/dbraw/zinc/15/91/81/1023159181.db2.gz ANVMVIRFNUYCII-DZGCQCFKSA-N 0 3 315.388 3.918 20 10 DHCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Oc1cccc(F)c1 ZINC000756606001 1023165963 /nfs/dbraw/zinc/16/59/63/1023165963.db2.gz AANHNGMHDCJQLZ-RYUDHWBXSA-N 0 3 307.340 3.789 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000769497792 1023166875 /nfs/dbraw/zinc/16/68/75/1023166875.db2.gz BHULPBXEVHQXMB-DOTOQJQBSA-N 0 3 311.425 3.854 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000769497792 1023166881 /nfs/dbraw/zinc/16/68/81/1023166881.db2.gz BHULPBXEVHQXMB-DOTOQJQBSA-N 0 3 311.425 3.854 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)c([O-])c1 ZINC000769551079 1023177622 /nfs/dbraw/zinc/17/76/22/1023177622.db2.gz UZESNOCXNZRITD-GOEBONIOSA-N 0 3 309.475 3.897 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)c([O-])c1 ZINC000769551079 1023177625 /nfs/dbraw/zinc/17/76/25/1023177625.db2.gz UZESNOCXNZRITD-GOEBONIOSA-N 0 3 309.475 3.897 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCC[C@H]1O ZINC000770292654 1023292286 /nfs/dbraw/zinc/29/22/86/1023292286.db2.gz NVHYPTDUOVHNIF-PKOBYXMFSA-N 0 3 311.425 3.652 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCC[C@H]1O ZINC000770292654 1023292293 /nfs/dbraw/zinc/29/22/93/1023292293.db2.gz NVHYPTDUOVHNIF-PKOBYXMFSA-N 0 3 311.425 3.652 20 10 DHCDHN COc1cccc(O)c1CN(CCC(F)(F)F)CC1CC1 ZINC000770301755 1023294043 /nfs/dbraw/zinc/29/40/43/1023294043.db2.gz BPUZZRHKOVPZJM-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000770301755 1023294051 /nfs/dbraw/zinc/29/40/51/1023294051.db2.gz BPUZZRHKOVPZJM-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000770301755 1023294058 /nfs/dbraw/zinc/29/40/58/1023294058.db2.gz BPUZZRHKOVPZJM-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000771384008 1023428635 /nfs/dbraw/zinc/42/86/35/1023428635.db2.gz NFXQSZGPTDGVDX-CYBMUJFWSA-N 0 3 301.409 3.754 20 10 DHCDHN COc1ncccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000785692733 1023606088 /nfs/dbraw/zinc/60/60/88/1023606088.db2.gz IDLIPIWNAABWLL-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN COc1ncccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000785692733 1023606090 /nfs/dbraw/zinc/60/60/90/1023606090.db2.gz IDLIPIWNAABWLL-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cccc(C#N)c2)cc1F ZINC000066906389 1023738510 /nfs/dbraw/zinc/73/85/10/1023738510.db2.gz DIUAEKOVFIFXOT-UHFFFAOYSA-N 0 3 311.404 3.833 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc(F)ccc1[O-] ZINC000756779545 1023796050 /nfs/dbraw/zinc/79/60/50/1023796050.db2.gz SDHBDIPYYXJXDY-FFFUXKDYSA-N 0 3 313.463 3.562 20 10 DHCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000268875950 1024184456 /nfs/dbraw/zinc/18/44/56/1024184456.db2.gz DUJLGOLAOKOOKE-MRXNPFEDSA-N 0 3 312.461 3.744 20 10 DHCDHN CCn1ccc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000790450251 1024304146 /nfs/dbraw/zinc/30/41/46/1024304146.db2.gz IBFTXXKCBLZPBW-UHFFFAOYSA-N 0 3 316.445 3.849 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388073 1024423255 /nfs/dbraw/zinc/42/32/55/1024423255.db2.gz LRJRXAUCWFUSHE-QZTJIDSGSA-N 0 3 319.408 3.607 20 10 DHCDHN COc1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1C ZINC000883398467 1024428113 /nfs/dbraw/zinc/42/81/13/1024428113.db2.gz NJQIKFLXXWFJPA-IBGZPJMESA-N 0 3 321.424 3.731 20 10 DHCDHN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271339544 1024491635 /nfs/dbraw/zinc/49/16/35/1024491635.db2.gz GMBABBKRRNGSRF-CVEARBPZSA-N 0 3 311.425 3.964 20 10 DHCDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000792190187 1024645758 /nfs/dbraw/zinc/64/57/58/1024645758.db2.gz QXGALOLFIVNXTO-CYBMUJFWSA-N 0 3 305.315 3.942 20 10 DHCDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000792190187 1024645764 /nfs/dbraw/zinc/64/57/64/1024645764.db2.gz QXGALOLFIVNXTO-CYBMUJFWSA-N 0 3 305.315 3.942 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c([O-])c1 ZINC000897419304 1024790625 /nfs/dbraw/zinc/79/06/25/1024790625.db2.gz DCZUCIJTGHNSLD-CYBMUJFWSA-N 0 3 313.397 3.577 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000877119217 1033243680 /nfs/dbraw/zinc/24/36/80/1033243680.db2.gz VBXOUUHXRNQAQP-VQIMIIECSA-N 0 3 311.425 3.958 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000877123323 1033247311 /nfs/dbraw/zinc/24/73/11/1033247311.db2.gz TXOLTYQVYATUOL-AWEZNQCLSA-N 0 3 323.396 3.644 20 10 DHCDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877133340 1033249064 /nfs/dbraw/zinc/24/90/64/1033249064.db2.gz FJYMVZKNLHZJMK-LIRRHRJNSA-N 0 3 315.413 3.575 20 10 DHCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877133338 1033249474 /nfs/dbraw/zinc/24/94/74/1033249474.db2.gz FJYMVZKNLHZJMK-IFXJQAMLSA-N 0 3 315.413 3.575 20 10 DHCDHN CCOc1ccc(C[NH2+]CCCc2ccccc2F)c([O-])c1 ZINC000793347880 1025018218 /nfs/dbraw/zinc/01/82/18/1025018218.db2.gz TYFNXJJRRFDYGF-UHFFFAOYSA-N 0 3 303.377 3.652 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000279485270 1025045364 /nfs/dbraw/zinc/04/53/64/1025045364.db2.gz LDFGAWSCHKPRSL-APPDUMDISA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000279485283 1025046268 /nfs/dbraw/zinc/04/62/68/1025046268.db2.gz LDFGAWSCHKPRSL-PIGZYNQJSA-N 0 3 323.795 3.877 20 10 DHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1F ZINC000066236809 1025061276 /nfs/dbraw/zinc/06/12/76/1025061276.db2.gz CJKYVYSTNFTZHB-CYBMUJFWSA-N 0 3 302.393 3.751 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000124389312 1025424294 /nfs/dbraw/zinc/42/42/94/1025424294.db2.gz XLVOTRNBTPBICI-QGZVFWFLSA-N 0 3 320.392 3.594 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000124389312 1025424303 /nfs/dbraw/zinc/42/43/03/1025424303.db2.gz XLVOTRNBTPBICI-QGZVFWFLSA-N 0 3 320.392 3.594 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000289890222 1026220569 /nfs/dbraw/zinc/22/05/69/1026220569.db2.gz SOMQAIQZHGYWDW-IBGZPJMESA-N 0 3 309.409 3.576 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCC(F)(F)F)c1[O-] ZINC000808682866 1026348233 /nfs/dbraw/zinc/34/82/33/1026348233.db2.gz XNRMISAHWDQZNL-VIFPVBQESA-N 0 3 311.731 3.584 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000808672832 1026352869 /nfs/dbraw/zinc/35/28/69/1026352869.db2.gz SDHDRLGEYFQMLZ-IUODEOHRSA-N 0 3 322.836 3.901 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808674486 1026353425 /nfs/dbraw/zinc/35/34/25/1026353425.db2.gz TWKMGXBVWGBQBL-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808674487 1026354501 /nfs/dbraw/zinc/35/45/01/1026354501.db2.gz TWKMGXBVWGBQBL-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1[O-] ZINC000808679625 1026355834 /nfs/dbraw/zinc/35/58/34/1026355834.db2.gz VIVNNEMNDHHYNA-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1nccn1CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808677859 1026356008 /nfs/dbraw/zinc/35/60/08/1026356008.db2.gz GADSKKBGVBXPGY-GFCCVEGCSA-N 0 3 307.825 3.600 20 10 DHCDHN Cc1cccc(NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808706953 1026357226 /nfs/dbraw/zinc/35/72/26/1026357226.db2.gz XWXGHTJTMYYATM-CYBMUJFWSA-N 0 3 319.836 3.820 20 10 DHCDHN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])[nH]n1 ZINC000808706206 1026357883 /nfs/dbraw/zinc/35/78/83/1026357883.db2.gz FFJYXIHSBIFWRA-CMPLNLGQSA-N 0 3 307.825 3.667 20 10 DHCDHN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n[nH]1 ZINC000808706206 1026357892 /nfs/dbraw/zinc/35/78/92/1026357892.db2.gz FFJYXIHSBIFWRA-CMPLNLGQSA-N 0 3 307.825 3.667 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)c1[O-] ZINC000808707009 1026358842 /nfs/dbraw/zinc/35/88/42/1026358842.db2.gz YQNIZRDWSAKZQA-WBMJQRKESA-N 0 3 311.853 3.946 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)c1[O-] ZINC000808709724 1026360015 /nfs/dbraw/zinc/36/00/15/1026360015.db2.gz HOVXOITYJAIELD-CYBMUJFWSA-N 0 3 319.832 3.740 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c1[O-] ZINC000808710615 1026360701 /nfs/dbraw/zinc/36/07/01/1026360701.db2.gz SJCGKVCWRVBNSD-MLGOLLRUSA-N 0 3 311.853 3.802 20 10 DHCDHN CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808709438 1026361281 /nfs/dbraw/zinc/36/12/81/1026361281.db2.gz BDSJCDCJYVHRRH-KCJUWKMLSA-N 0 3 311.731 3.582 20 10 DHCDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280009082 1026569322 /nfs/dbraw/zinc/56/93/22/1026569322.db2.gz GNOFMDIFNSCOCI-INIZCTEOSA-N 0 3 315.461 3.800 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(C)cc1[O-] ZINC000280032521 1026574972 /nfs/dbraw/zinc/57/49/72/1026574972.db2.gz IEZDRTQSXLEAJQ-HNNXBMFYSA-N 0 3 301.386 3.656 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CCC2(F)CCC2)c1[O-] ZINC000809770388 1026606497 /nfs/dbraw/zinc/60/64/97/1026606497.db2.gz XROKYWAZKIXFTG-UHFFFAOYSA-N 0 3 316.214 3.835 20 10 DHCDHN C[C@H](C[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000809773844 1026607460 /nfs/dbraw/zinc/60/74/60/1026607460.db2.gz ALXABLJTSXLPCX-CABCVRRESA-N 0 3 317.404 3.518 20 10 DHCDHN C[C@H](C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)CO)c1ccccc1 ZINC000809773844 1026607462 /nfs/dbraw/zinc/60/74/62/1026607462.db2.gz ALXABLJTSXLPCX-CABCVRRESA-N 0 3 317.404 3.518 20 10 DHCDHN Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809755758 1026618836 /nfs/dbraw/zinc/61/88/36/1026618836.db2.gz BVZFXCURXCSMAP-INIZCTEOSA-N 0 3 317.408 3.989 20 10 DHCDHN Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809755758 1026618845 /nfs/dbraw/zinc/61/88/45/1026618845.db2.gz BVZFXCURXCSMAP-INIZCTEOSA-N 0 3 317.408 3.989 20 10 DHCDHN CC[C@@H]([NH2+]CC1(SC)CCOCC1)c1ccc(C)cc1[O-] ZINC000280265647 1026622898 /nfs/dbraw/zinc/62/28/98/1026622898.db2.gz XMURRTSNLXXSEQ-OAHLLOKOSA-N 0 3 309.475 3.654 20 10 DHCDHN CCC[C@]1(CO)CCN(Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000809790991 1026629602 /nfs/dbraw/zinc/62/96/02/1026629602.db2.gz RMMPHAYFKCJFFZ-IBGZPJMESA-N 0 3 322.468 3.656 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)c([O-])c1 ZINC000280388908 1026642807 /nfs/dbraw/zinc/64/28/07/1026642807.db2.gz WRUJCSPEUFZLSN-SFHVURJKSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCC[C@](C)(OC)CC2)c([O-])c1 ZINC000280388908 1026642814 /nfs/dbraw/zinc/64/28/14/1026642814.db2.gz WRUJCSPEUFZLSN-SFHVURJKSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000810263071 1026722596 /nfs/dbraw/zinc/72/25/96/1026722596.db2.gz KSCKOWYKBGVYQH-VNHYZAJKSA-N 0 3 308.441 3.790 20 10 DHCDHN CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000271956356 1027185893 /nfs/dbraw/zinc/18/58/93/1027185893.db2.gz FAKWKESDBILQLS-UHFFFAOYSA-N 0 3 313.397 3.637 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CC2 ZINC000296054390 1027529421 /nfs/dbraw/zinc/52/94/21/1027529421.db2.gz RFTBVBXXVKULNY-KRWDZBQOSA-N 0 3 324.424 3.886 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CC2 ZINC000296054393 1027529823 /nfs/dbraw/zinc/52/98/23/1027529823.db2.gz RFTBVBXXVKULNY-QGZVFWFLSA-N 0 3 324.424 3.886 20 10 DHCDHN CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296567203 1027671143 /nfs/dbraw/zinc/67/11/43/1027671143.db2.gz UWEJKALJGWQURT-BQFCYCMXSA-N 0 3 303.446 3.953 20 10 DHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC000778985395 1027718898 /nfs/dbraw/zinc/71/88/98/1027718898.db2.gz SCIUICVIWINTCE-QGZVFWFLSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC000778985395 1027718917 /nfs/dbraw/zinc/71/89/17/1027718917.db2.gz SCIUICVIWINTCE-QGZVFWFLSA-N 0 3 301.361 3.877 20 10 DHCDHN C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])CN(C)C ZINC000813877310 1027747063 /nfs/dbraw/zinc/74/70/63/1027747063.db2.gz RNHBWUDSOFSEFW-NXEZZACHSA-N 0 3 305.249 3.547 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000813883493 1027751423 /nfs/dbraw/zinc/75/14/23/1027751423.db2.gz NRKMDCHWOMYVFA-RHSMWYFYSA-N 0 3 314.404 3.851 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000813884337 1027751644 /nfs/dbraw/zinc/75/16/44/1027751644.db2.gz TVIQRGZAUZTPGH-CABCVRRESA-N 0 3 314.404 3.769 20 10 DHCDHN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779009027 1027771926 /nfs/dbraw/zinc/77/19/26/1027771926.db2.gz HZAJEWXRPGWDIO-INIZCTEOSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779009027 1027771934 /nfs/dbraw/zinc/77/19/34/1027771934.db2.gz HZAJEWXRPGWDIO-INIZCTEOSA-N 0 3 301.361 3.877 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000364405346 1027821700 /nfs/dbraw/zinc/82/17/00/1027821700.db2.gz WZWRUDGXJVIGPJ-UTKZUKDTSA-N 0 3 324.468 3.843 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527735104 1027850446 /nfs/dbraw/zinc/85/04/46/1027850446.db2.gz BNYJXZAEQDTACK-MRXNPFEDSA-N 0 3 311.425 3.966 20 10 DHCDHN CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779018903 1027851026 /nfs/dbraw/zinc/85/10/26/1027851026.db2.gz IZARIUYGGXOAFC-GOSISDBHSA-N 0 3 317.404 3.550 20 10 DHCDHN CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779018903 1027851039 /nfs/dbraw/zinc/85/10/39/1027851039.db2.gz IZARIUYGGXOAFC-GOSISDBHSA-N 0 3 317.404 3.550 20 10 DHCDHN CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000364622943 1027855578 /nfs/dbraw/zinc/85/55/78/1027855578.db2.gz MLHLWJXPJVYNJZ-WBVHZDCISA-N 0 3 313.445 3.939 20 10 DHCDHN CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000364622943 1027855598 /nfs/dbraw/zinc/85/55/98/1027855598.db2.gz MLHLWJXPJVYNJZ-WBVHZDCISA-N 0 3 313.445 3.939 20 10 DHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000365001409 1027896822 /nfs/dbraw/zinc/89/68/22/1027896822.db2.gz MZFVLFULSBVBON-INIZCTEOSA-N 0 3 300.377 3.826 20 10 DHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000365001409 1027896844 /nfs/dbraw/zinc/89/68/44/1027896844.db2.gz MZFVLFULSBVBON-INIZCTEOSA-N 0 3 300.377 3.826 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000814178132 1027913996 /nfs/dbraw/zinc/91/39/96/1027913996.db2.gz CYYVFPUTATXPFF-HNNXBMFYSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000814178132 1027914012 /nfs/dbraw/zinc/91/40/12/1027914012.db2.gz CYYVFPUTATXPFF-HNNXBMFYSA-N 0 3 309.837 3.603 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(C)cc1[O-] ZINC000527999223 1028024302 /nfs/dbraw/zinc/02/43/02/1028024302.db2.gz FSOHQKXENUXRFA-SJLPKXTDSA-N 0 3 302.462 3.758 20 10 DHCDHN CC[C@@H]1c2ccsc2CCN1Cc1cc2c(cc1O)OCO2 ZINC000008186364 1028048541 /nfs/dbraw/zinc/04/85/41/1028048541.db2.gz MDVFXMFDOASGIT-CYBMUJFWSA-N 0 3 317.410 3.692 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)c1ccc(C)cc1[O-] ZINC000366452986 1028081459 /nfs/dbraw/zinc/08/14/59/1028081459.db2.gz SESDQJHOQLTSHM-RDJZCZTQSA-N 0 3 313.445 3.824 20 10 DHCDHN CC[C@H]([NH2+][C@]1(CO)CCCc2ccccc21)c1ccccc1[O-] ZINC000367328569 1028167665 /nfs/dbraw/zinc/16/76/65/1028167665.db2.gz ZVIKCAYMMRMRTC-ICSRJNTNSA-N 0 3 311.425 3.657 20 10 DHCDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779107277 1028284490 /nfs/dbraw/zinc/28/44/90/1028284490.db2.gz XNBJZEHYTSCIKB-APPDUMDISA-N 0 3 307.340 3.536 20 10 DHCDHN COC1(CC[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCC1 ZINC000815070471 1028350231 /nfs/dbraw/zinc/35/02/31/1028350231.db2.gz QVFQWSJUHRCMCN-UHFFFAOYSA-N 0 3 315.413 3.947 20 10 DHCDHN COC1(CC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCC1 ZINC000815070471 1028350245 /nfs/dbraw/zinc/35/02/45/1028350245.db2.gz QVFQWSJUHRCMCN-UHFFFAOYSA-N 0 3 315.413 3.947 20 10 DHCDHN Cc1cc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)ccc1N(C)C ZINC000815084718 1028356671 /nfs/dbraw/zinc/35/66/71/1028356671.db2.gz AJPDYPJNPVDMKD-SFHVURJKSA-N 0 3 314.477 3.672 20 10 DHCDHN Cc1sccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000815115939 1028362173 /nfs/dbraw/zinc/36/21/73/1028362173.db2.gz RWKXWFLWCVKXLG-UHFFFAOYSA-N 0 3 318.511 3.900 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCN2C)c1ccc(Cl)nc1 ZINC000368730194 1028401043 /nfs/dbraw/zinc/40/10/43/1028401043.db2.gz OXKILIWROCVUEO-GFCCVEGCSA-N 0 3 301.821 3.578 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C2CCOCC2)CC1 ZINC000368797992 1028412200 /nfs/dbraw/zinc/41/22/00/1028412200.db2.gz PTSNOYYFYPPBEI-GOSISDBHSA-N 0 3 303.446 3.982 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c([O-])c1 ZINC000815622026 1028574992 /nfs/dbraw/zinc/57/49/92/1028574992.db2.gz JSZKJBNLLHXYJW-HNNXBMFYSA-N 0 3 303.446 3.602 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000815648465 1028592027 /nfs/dbraw/zinc/59/20/27/1028592027.db2.gz NFHSHISBRRNEIG-SJLPKXTDSA-N 0 3 305.462 3.930 20 10 DHCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000816515420 1028914871 /nfs/dbraw/zinc/91/48/71/1028914871.db2.gz ZAVMQGIETWDRLE-BEFAXECRSA-N 0 3 312.457 3.708 20 10 DHCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000816515420 1028914882 /nfs/dbraw/zinc/91/48/82/1028914882.db2.gz ZAVMQGIETWDRLE-BEFAXECRSA-N 0 3 312.457 3.708 20 10 DHCDHN CCCN(Cc1c(F)ccc([O-])c1F)c1ccc(C[NH3+])cc1 ZINC000816592552 1028938002 /nfs/dbraw/zinc/93/80/02/1028938002.db2.gz NEWSEVRLFMBRPX-UHFFFAOYSA-N 0 3 306.356 3.546 20 10 DHCDHN CC(C)[C@@H]1N(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000816624718 1028951522 /nfs/dbraw/zinc/95/15/22/1028951522.db2.gz FLVUOPLHJXCWGB-SFHVURJKSA-N 0 3 320.452 3.529 20 10 DHCDHN COc1cc(CC[NH2+]Cc2cc(F)ccc2[O-])ccc1Cl ZINC000816664546 1028984138 /nfs/dbraw/zinc/98/41/38/1028984138.db2.gz TWGPWHPUVQAZDX-UHFFFAOYSA-N 0 3 309.768 3.526 20 10 DHCDHN C[C@H](NCCc1ccc(N)cc1)c1ncc(-c2ccccc2)n1C ZINC000817957093 1029297097 /nfs/dbraw/zinc/29/70/97/1029297097.db2.gz IVLRUSVCXDHSPP-HNNXBMFYSA-N 0 3 320.440 3.563 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)c1[O-] ZINC000817955150 1029298607 /nfs/dbraw/zinc/29/86/07/1029298607.db2.gz REAOZFJYMDSBKX-WBMJQRKESA-N 0 3 304.821 3.705 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1[O-] ZINC000817967212 1029306484 /nfs/dbraw/zinc/30/64/84/1029306484.db2.gz FQAUKAVIWUORKA-DIFFPNOSSA-N 0 3 300.377 3.842 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969272 1029308611 /nfs/dbraw/zinc/30/86/11/1029308611.db2.gz AREHRDQWZUGILQ-HERUPUMHSA-N 0 3 317.260 3.738 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972379 1029311895 /nfs/dbraw/zinc/31/18/95/1029311895.db2.gz WKRHKOLAPGQWOT-UDZFHETQSA-N 0 3 317.260 3.880 20 10 DHCDHN CCCN(CCC)c1ccc(CN[C@H](C)c2ccnn2C)cc1 ZINC000865839925 1030055087 /nfs/dbraw/zinc/05/50/87/1030055087.db2.gz YCKCJIYNKCWWBH-MRXNPFEDSA-N 0 3 314.477 3.897 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000865871879 1030070436 /nfs/dbraw/zinc/07/04/36/1030070436.db2.gz MPMHWXPMYDMLKQ-GOSISDBHSA-N 0 3 319.408 3.880 20 10 DHCDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000866248042 1030178753 /nfs/dbraw/zinc/17/87/53/1030178753.db2.gz JYDBVZALAXDQJG-GOSISDBHSA-N 0 3 314.404 3.677 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccnn1C1CCC1 ZINC000924869616 1030211816 /nfs/dbraw/zinc/21/18/16/1030211816.db2.gz HZWHLWDCNQUXRB-HNNXBMFYSA-N 0 3 324.472 3.841 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485260 1030321989 /nfs/dbraw/zinc/32/19/89/1030321989.db2.gz HSLVNMAOPMAACQ-IINYFYTJSA-N 0 3 310.353 3.577 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291157357 1030369346 /nfs/dbraw/zinc/36/93/46/1030369346.db2.gz CACLYOMXLGRDMD-LJQANCHMSA-N 0 3 319.408 3.703 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291157357 1030369361 /nfs/dbraw/zinc/36/93/61/1030369361.db2.gz CACLYOMXLGRDMD-LJQANCHMSA-N 0 3 319.408 3.703 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)Cc2coc3ccccc23)c([O-])c1 ZINC000824320739 1030523026 /nfs/dbraw/zinc/52/30/26/1030523026.db2.gz JYILGAHPPJWRLM-ZDUSSCGKSA-N 0 3 311.381 3.868 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)Cc2coc3ccccc23)c([O-])c1 ZINC000824320736 1030524451 /nfs/dbraw/zinc/52/44/51/1030524451.db2.gz JYILGAHPPJWRLM-CYBMUJFWSA-N 0 3 311.381 3.868 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915714 1030989729 /nfs/dbraw/zinc/98/97/29/1030989729.db2.gz LVEIJDHLYBQQKQ-MISXGVKJSA-N 0 3 303.324 3.543 20 10 DHCDHN C[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000927115161 1031101436 /nfs/dbraw/zinc/10/14/36/1031101436.db2.gz JEBLBGNYGXPXCQ-BFUOFWGJSA-N 0 3 315.388 3.886 20 10 DHCDHN CCOc1ccc(C[NH2+]CCc2ccc(SC)cc2)c([O-])c1 ZINC000797879836 1031220395 /nfs/dbraw/zinc/22/03/95/1031220395.db2.gz OTBDNQIFFJTWLN-UHFFFAOYSA-N 0 3 317.454 3.845 20 10 DHCDHN Cc1cc(C)c([C@H](C)NCc2cn3ccsc3n2)c(O)c1 ZINC000293248264 1031398839 /nfs/dbraw/zinc/39/88/39/1031398839.db2.gz BKHKSNZFZBTOPR-LBPRGKRZSA-N 0 3 301.415 3.569 20 10 DHCDHN C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1[O-] ZINC000293644203 1031551270 /nfs/dbraw/zinc/55/12/70/1031551270.db2.gz HHFSWWWTTKNGDX-LLVKDONJSA-N 0 3 310.319 3.699 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000293779546 1031620282 /nfs/dbraw/zinc/62/02/82/1031620282.db2.gz QAZCAPLFCFTFKU-MJGOQNOKSA-N 0 3 311.425 3.835 20 10 DHCDHN CCOc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873183921 1031745178 /nfs/dbraw/zinc/74/51/78/1031745178.db2.gz QQTJABBPMVREEI-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN CCOc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000873184298 1031746287 /nfs/dbraw/zinc/74/62/87/1031746287.db2.gz KNPUJIPGDMULMH-GFCCVEGCSA-N 0 3 316.357 3.550 20 10 DHCDHN C[C@H](NCc1cccc2c1OC(F)(F)O2)c1ccccc1O ZINC000845990270 1031792400 /nfs/dbraw/zinc/79/24/00/1031792400.db2.gz NBCCCLDRNLYLJT-JTQLQIEISA-N 0 3 307.296 3.565 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1ccccc1[O-] ZINC000845990270 1031792411 /nfs/dbraw/zinc/79/24/11/1031792411.db2.gz NBCCCLDRNLYLJT-JTQLQIEISA-N 0 3 307.296 3.565 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000294104608 1031802173 /nfs/dbraw/zinc/80/21/73/1031802173.db2.gz JQNIWGABRKADET-IBGZPJMESA-N 0 3 321.424 3.622 20 10 DHCDHN CN(C)c1ccc(/C=C\CN2CCC3(CC3(F)F)CC2)cc1 ZINC000846054199 1031849451 /nfs/dbraw/zinc/84/94/51/1031849451.db2.gz GRIZRSMVTRKXAV-ARJAWSKDSA-N 0 3 306.400 3.887 20 10 DHCDHN COc1cccc([C@@H](C)NC2(c3cccc(F)c3)CC2)c1O ZINC000846161077 1031891198 /nfs/dbraw/zinc/89/11/98/1031891198.db2.gz BMLRENFUPJNGEZ-GFCCVEGCSA-N 0 3 301.361 3.880 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H](C)c2ccccc2OC)c1O ZINC000846135587 1031901054 /nfs/dbraw/zinc/90/10/54/1031901054.db2.gz DQAUNVCQCFMOFZ-CHWSQXEVSA-N 0 3 301.386 3.821 20 10 DHCDHN Cc1ccc(O)c([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846184486 1031916275 /nfs/dbraw/zinc/91/62/75/1031916275.db2.gz SENSKZWEOKGZMQ-LXIYXOSZSA-N 0 3 303.377 3.612 20 10 DHCDHN CC(C)(C)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294336136 1031942484 /nfs/dbraw/zinc/94/24/84/1031942484.db2.gz RVLQSCDKUHVVGG-UHFFFAOYSA-N 0 3 314.832 3.537 20 10 DHCDHN Cc1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1 ZINC000877570642 1033362625 /nfs/dbraw/zinc/36/26/25/1033362625.db2.gz LNXJKLIHLKKBKR-ZDUSSCGKSA-N 0 3 307.315 3.895 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c([O-])c1 ZINC000877572455 1033363094 /nfs/dbraw/zinc/36/30/94/1033363094.db2.gz HDOIANYGXMMXFG-GDBMZVCRSA-N 0 3 303.427 3.772 20 10 DHCDHN COc1cc2c(c(C[NH2+][C@H](C)c3ccccc3[O-])c1)O[C@H](C)C2 ZINC000877756609 1033435028 /nfs/dbraw/zinc/43/50/28/1033435028.db2.gz XQNVZKOGZHYDSU-CHWSQXEVSA-N 0 3 313.397 3.575 20 10 DHCDHN CCN(CC)c1ncc(C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000877756494 1033435070 /nfs/dbraw/zinc/43/50/70/1033435070.db2.gz MJTIQKQREBRFIM-GFCCVEGCSA-N 0 3 305.447 3.546 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000153231705 1033567917 /nfs/dbraw/zinc/56/79/17/1033567917.db2.gz ZFFLWWKLGNLXSY-HNNXBMFYSA-N 0 3 303.427 3.635 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000153231705 1033567929 /nfs/dbraw/zinc/56/79/29/1033567929.db2.gz ZFFLWWKLGNLXSY-HNNXBMFYSA-N 0 3 303.427 3.635 20 10 DHCDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001173234475 1033609334 /nfs/dbraw/zinc/60/93/34/1033609334.db2.gz OYXZHTIFEKZVAQ-STQMWFEESA-N 0 3 300.358 3.582 20 10 DHCDHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@H](C2CC2)C1 ZINC000777221946 1033719380 /nfs/dbraw/zinc/71/93/80/1033719380.db2.gz OKTMAFNNTNZINM-FQEVSTJZSA-N 0 3 309.409 3.670 20 10 DHCDHN C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234129 1033790131 /nfs/dbraw/zinc/79/01/31/1033790131.db2.gz HOMYHNISYGJMRO-AWEZNQCLSA-N 0 3 324.424 3.821 20 10 DHCDHN Cc1cc(CCNCc2cnc(C)o2)c(C)n1-c1ccccc1 ZINC000862262562 1033803926 /nfs/dbraw/zinc/80/39/26/1033803926.db2.gz AMDMDAROQJQWOE-UHFFFAOYSA-N 0 3 309.413 3.723 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000879648713 1034070005 /nfs/dbraw/zinc/07/00/05/1034070005.db2.gz AHQGHHZCHLWZFQ-HUUCEWRRSA-N 0 3 312.413 3.687 20 10 DHCDHN CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647824 1034071398 /nfs/dbraw/zinc/07/13/98/1034071398.db2.gz MNOYSSSDRCQHSB-ZIAGYGMSSA-N 0 3 312.413 3.632 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1F ZINC000879651981 1034075096 /nfs/dbraw/zinc/07/50/96/1034075096.db2.gz RTQKCVVDSJJASA-QWHCGFSZSA-N 0 3 316.376 3.518 20 10 DHCDHN C[C@H](c1ccccc1)N(Cc1cnn(C)c1)Cc1ccccc1O ZINC000176680696 1034102626 /nfs/dbraw/zinc/10/26/26/1034102626.db2.gz ADRYJHODJZMJSK-MRXNPFEDSA-N 0 3 321.424 3.889 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cncc(F)c2)cc1 ZINC000178228991 1034221214 /nfs/dbraw/zinc/22/12/14/1034221214.db2.gz AGUSOLNBCFSTLW-CQSZACIVSA-N 0 3 301.409 3.918 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000179564658 1034314172 /nfs/dbraw/zinc/31/41/72/1034314172.db2.gz PVRHEJZZVWTRSQ-UHFFFAOYSA-N 0 3 319.351 3.714 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@](C)(OC)C3)c2c1 ZINC000794656495 1034332349 /nfs/dbraw/zinc/33/23/49/1034332349.db2.gz MNLQFRXASGMKEZ-LJQANCHMSA-N 0 3 315.413 3.555 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@](C)(OC)C3)c2c1 ZINC000794656495 1034332363 /nfs/dbraw/zinc/33/23/63/1034332363.db2.gz MNLQFRXASGMKEZ-LJQANCHMSA-N 0 3 315.413 3.555 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccccc1[O-] ZINC000183596006 1034402412 /nfs/dbraw/zinc/40/24/12/1034402412.db2.gz WXMGDOPYGAUTQA-GFCCVEGCSA-N 0 3 307.340 3.887 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000183625152 1034403780 /nfs/dbraw/zinc/40/37/80/1034403780.db2.gz FHFQPYNXWPZCRA-CRAIPNDOSA-N 0 3 313.441 3.845 20 10 DHCDHN COC[C@@H](N[C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644634 1034407334 /nfs/dbraw/zinc/40/73/34/1034407334.db2.gz YVVTZHDULPZLMR-MEDUHNTESA-N 0 3 307.340 3.709 20 10 DHCDHN CCOc1ncccc1CN[C@H](CC)c1ccc(C)cc1O ZINC000794798217 1034470409 /nfs/dbraw/zinc/47/04/09/1034470409.db2.gz UJOMGVKMJDSYIP-MRXNPFEDSA-N 0 3 300.402 3.735 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000794801755 1034472378 /nfs/dbraw/zinc/47/23/78/1034472378.db2.gz KYRCLDCETOJECI-ATLSCFEFSA-N 0 3 303.446 3.945 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(C)cc1[O-] ZINC000794806271 1034503272 /nfs/dbraw/zinc/50/32/72/1034503272.db2.gz GUBOAFPSAAYCBA-GOSISDBHSA-N 0 3 311.425 3.919 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794805795 1034505875 /nfs/dbraw/zinc/50/58/75/1034505875.db2.gz YLRHAEFJPZXFCP-QGZVFWFLSA-N 0 3 303.377 3.959 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000184885094 1034507973 /nfs/dbraw/zinc/50/79/73/1034507973.db2.gz XDAJMMAFDVGKTA-LSDHHAIUSA-N 0 3 322.412 3.693 20 10 DHCDHN CC[C@@H]([NH2+]CC(CC)(CC)C(=O)OC)c1ccc(C)cc1[O-] ZINC000794813776 1034521025 /nfs/dbraw/zinc/52/10/25/1034521025.db2.gz JRFAQQPUAIOEMF-OAHLLOKOSA-N 0 3 307.434 3.721 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(C)cc1[O-] ZINC000794814772 1034525063 /nfs/dbraw/zinc/52/50/63/1034525063.db2.gz ITZCZPNRAHJMLC-OAHLLOKOSA-N 0 3 320.820 3.869 20 10 DHCDHN CCCOc1ncccc1CN[C@H](C)c1ccc(C)cc1O ZINC000185143356 1034530667 /nfs/dbraw/zinc/53/06/67/1034530667.db2.gz WYSWXUSXGFCPHK-CQSZACIVSA-N 0 3 300.402 3.735 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794824629 1034534558 /nfs/dbraw/zinc/53/45/58/1034534558.db2.gz KSKWEBYEFCFUIE-UKRRQHHQSA-N 0 3 322.449 3.655 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(C)cc1[O-] ZINC000794819197 1034537907 /nfs/dbraw/zinc/53/79/07/1034537907.db2.gz YKIBMYDRMWZOOR-DOTOQJQBSA-N 0 3 319.445 3.817 20 10 DHCDHN CC[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(C)cc1[O-] ZINC000794829683 1034551504 /nfs/dbraw/zinc/55/15/04/1034551504.db2.gz VWSMQLKXPAYRIE-INIZCTEOSA-N 0 3 303.446 3.684 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000185468772 1034552631 /nfs/dbraw/zinc/55/26/31/1034552631.db2.gz HLSWHSGVORLDGQ-JCGVRSQUSA-N 0 3 303.377 3.612 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)C1CCOCC1 ZINC000185783076 1034572961 /nfs/dbraw/zinc/57/29/61/1034572961.db2.gz QAKQTDVNKUEEQA-KGLIPLIRSA-N 0 3 303.446 3.737 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185783035 1034574198 /nfs/dbraw/zinc/57/41/98/1034574198.db2.gz QAKQTDVNKUEEQA-KBPBESRZSA-N 0 3 303.446 3.737 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185783097 1034575024 /nfs/dbraw/zinc/57/50/24/1034575024.db2.gz QAKQTDVNKUEEQA-ZIAGYGMSSA-N 0 3 303.446 3.737 20 10 DHCDHN C[C@@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185834827 1034576676 /nfs/dbraw/zinc/57/66/76/1034576676.db2.gz NNIZGKJCDQRVSZ-ZJNRKIDTSA-N 0 3 303.377 3.694 20 10 DHCDHN COCCC1(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000186134358 1034602294 /nfs/dbraw/zinc/60/22/94/1034602294.db2.gz JSFCBUWNRAUFFA-AWEZNQCLSA-N 0 3 303.446 3.738 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2cccnc2OCC(F)F)c1 ZINC000186199119 1034610759 /nfs/dbraw/zinc/61/07/59/1034610759.db2.gz QRESQSDNKGCHEC-GFCCVEGCSA-N 0 3 322.355 3.590 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccc(Cl)c1 ZINC001175419215 1034975121 /nfs/dbraw/zinc/97/51/21/1034975121.db2.gz TYKRBLFPYCIJHK-RYUDHWBXSA-N 0 3 318.804 3.723 20 10 DHCDHN C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1ccccc1[O-] ZINC001175427820 1034978630 /nfs/dbraw/zinc/97/86/30/1034978630.db2.gz TVLIBNNYNLOHFF-NSHDSACASA-N 0 3 309.768 3.914 20 10 DHCDHN CCN(C)c1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000773813741 1035479393 /nfs/dbraw/zinc/47/93/93/1035479393.db2.gz VZSVRAHOFFUCTA-SFHVURJKSA-N 0 3 314.477 3.753 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1ccccc1[O-] ZINC001179489497 1035480314 /nfs/dbraw/zinc/48/03/14/1035480314.db2.gz QDPFQKSAIBHELS-LBPRGKRZSA-N 0 3 313.426 3.705 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000775678262 1036408933 /nfs/dbraw/zinc/40/89/33/1036408933.db2.gz YPYGGUYWSYNCIQ-AWEZNQCLSA-N 0 3 310.235 3.838 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000775678262 1036408939 /nfs/dbraw/zinc/40/89/39/1036408939.db2.gz YPYGGUYWSYNCIQ-AWEZNQCLSA-N 0 3 310.235 3.838 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000775738357 1036597575 /nfs/dbraw/zinc/59/75/75/1036597575.db2.gz BDRDKCLYSLYCJU-ZIAGYGMSSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000775738357 1036597586 /nfs/dbraw/zinc/59/75/86/1036597586.db2.gz BDRDKCLYSLYCJU-ZIAGYGMSSA-N 0 3 309.837 3.603 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)c1ccccc1[O-] ZINC001197004785 1036667437 /nfs/dbraw/zinc/66/74/37/1036667437.db2.gz VVIUEDKRCKKHNP-BEFAXECRSA-N 0 3 321.420 3.800 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1[O-] ZINC001184250601 1036785903 /nfs/dbraw/zinc/78/59/03/1036785903.db2.gz GBVVHLLGQPDWDF-LEWSCRJBSA-N 0 3 310.235 3.741 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@@H]2COCc2ccccc2)cc1 ZINC001203934141 1037250761 /nfs/dbraw/zinc/25/07/61/1037250761.db2.gz OBXULMPVRBOJRA-HXUWFJFHSA-N 0 3 310.441 3.544 20 10 DHCDHN COc1ccc(C[NH+]2CCC(c3cccs3)CC2)c([O-])c1 ZINC001203627938 1037252153 /nfs/dbraw/zinc/25/21/53/1037252153.db2.gz SKLVAPULSZDPOO-UHFFFAOYSA-N 0 3 303.427 3.842 20 10 DHCDHN CN(C)c1ccc(C2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000776013835 1037300821 /nfs/dbraw/zinc/30/08/21/1037300821.db2.gz JCNLOUDBMODXSJ-UHFFFAOYSA-N 0 3 310.441 3.838 20 10 DHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC000776010150 1037305046 /nfs/dbraw/zinc/30/50/46/1037305046.db2.gz MMBIMOVNXVGLFD-MRXNPFEDSA-N 0 3 311.425 3.992 20 10 DHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC000776010150 1037305061 /nfs/dbraw/zinc/30/50/61/1037305061.db2.gz MMBIMOVNXVGLFD-MRXNPFEDSA-N 0 3 311.425 3.992 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC(C)(C)[C@H]3C)c2c1 ZINC000763213907 1037488853 /nfs/dbraw/zinc/48/88/53/1037488853.db2.gz VVXPKRQZEOBABP-CYBMUJFWSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC(C)(C)[C@H]3C)c2c1 ZINC000763213907 1037488863 /nfs/dbraw/zinc/48/88/63/1037488863.db2.gz VVXPKRQZEOBABP-CYBMUJFWSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc(CN[C@@H]2CCCc3cnn(C(C)C)c32)cc1C ZINC001201887956 1037921929 /nfs/dbraw/zinc/92/19/29/1037921929.db2.gz DTGHYVDGNIBHRQ-QGZVFWFLSA-N 0 3 313.445 3.948 20 10 DHCDHN CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000775203038 1038001391 /nfs/dbraw/zinc/00/13/91/1038001391.db2.gz JANIWIJMVTWKHK-GOSISDBHSA-N 0 3 307.434 3.572 20 10 DHCDHN CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000775203038 1038001413 /nfs/dbraw/zinc/00/14/13/1038001413.db2.gz JANIWIJMVTWKHK-GOSISDBHSA-N 0 3 307.434 3.572 20 10 DHCDHN CN(C)c1ccc(CN(C[C@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000917074007 1038161714 /nfs/dbraw/zinc/16/17/14/1038161714.db2.gz MTKRPPAYAPFTHE-CYBMUJFWSA-N 0 3 313.272 3.911 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000775365819 1038279075 /nfs/dbraw/zinc/27/90/75/1038279075.db2.gz XUWOCJXGCANCIG-ZDUSSCGKSA-N 0 3 303.837 3.960 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1[O-] ZINC000157040213 1038488285 /nfs/dbraw/zinc/48/82/85/1038488285.db2.gz OCVYBWOVVBYDIR-HOCLYGCPSA-N 0 3 305.418 3.509 20 10 DHCDHN CC[C@@H]([NH2+]CCCOc1ccccc1OC)c1ccccc1[O-] ZINC000775497753 1038581804 /nfs/dbraw/zinc/58/18/04/1038581804.db2.gz DSYSLBDWKKFHBV-MRXNPFEDSA-N 0 3 315.413 3.911 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1cc(Cl)ccc1[O-] ZINC000775500192 1038583609 /nfs/dbraw/zinc/58/36/09/1038583609.db2.gz ZMCIRNJMDFMMMX-BLLLJJGKSA-N 0 3 321.852 3.928 20 10 DHCDHN CC[C@@H]([NH2+]CCCOc1cccc(OC)c1)c1ccccc1[O-] ZINC000775526849 1038645982 /nfs/dbraw/zinc/64/59/82/1038645982.db2.gz MECQRXVFYCOPTB-GOSISDBHSA-N 0 3 315.413 3.911 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCc1cccnc1)Cc1ccco1 ZINC000172164030 1039759235 /nfs/dbraw/zinc/75/92/35/1039759235.db2.gz ABWZCPBJDDJKJC-UHFFFAOYSA-N 0 3 308.381 3.625 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCc1cccnc1)Cc1ccco1 ZINC000172164030 1039759255 /nfs/dbraw/zinc/75/92/55/1039759255.db2.gz ABWZCPBJDDJKJC-UHFFFAOYSA-N 0 3 308.381 3.625 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000227711824 1040366489 /nfs/dbraw/zinc/36/64/89/1040366489.db2.gz MFRUPLURYUZHMO-DZGCQCFKSA-N 0 3 322.449 3.736 20 10 DHCDHN CN(C)c1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000092758497 185338775 /nfs/dbraw/zinc/33/87/75/185338775.db2.gz JUGPEPWEDKQGJN-UHFFFAOYSA-N 0 3 302.462 3.676 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCSC1 ZINC000273227477 130099024 /nfs/dbraw/zinc/09/90/24/130099024.db2.gz WIIPKHRUQNKXDL-INIZCTEOSA-N 0 3 315.438 3.566 20 10 DHCDHN C[C@@H]([NH2+]CC1(C)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273453852 130123635 /nfs/dbraw/zinc/12/36/35/130123635.db2.gz GPARVZVITHOOMM-CQSZACIVSA-N 0 3 303.446 3.738 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000273503412 130129781 /nfs/dbraw/zinc/12/97/81/130129781.db2.gz QNLIKTHCIUQVJF-AHIWAGSCSA-N 0 3 307.434 3.645 20 10 DHCDHN Cc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273517081 130130187 /nfs/dbraw/zinc/13/01/87/130130187.db2.gz RZIHQJKAVYOKJR-MSOLQXFVSA-N 0 3 315.388 3.850 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1[O-] ZINC000273515537 130130412 /nfs/dbraw/zinc/13/04/12/130130412.db2.gz SNAOSQWFAQVIJL-YVEFUNNKSA-N 0 3 307.397 3.997 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273563039 130137606 /nfs/dbraw/zinc/13/76/06/130137606.db2.gz ISEUGNVRSCYXPA-DOMZBBRYSA-N 0 3 301.434 3.501 20 10 DHCDHN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273595103 130141586 /nfs/dbraw/zinc/14/15/86/130141586.db2.gz QHKCAWDUFDOWLM-WCQYABFASA-N 0 3 302.418 3.896 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c([O-])c1 ZINC000284297341 131067418 /nfs/dbraw/zinc/06/74/18/131067418.db2.gz YMDTZEOXXMHDKS-GUYCJALGSA-N 0 3 305.443 3.629 20 10 DHCDHN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000285651078 131190010 /nfs/dbraw/zinc/19/00/10/131190010.db2.gz YLWSJGHCVTUNBK-MAUKXSAKSA-N 0 3 311.425 3.821 20 10 DHCDHN Cc1cccc2oc(CC[NH2+][C@@H]3CCc4cccc([O-])c43)nc21 ZINC000297725639 132030733 /nfs/dbraw/zinc/03/07/33/132030733.db2.gz NKCPYNSKUGIOQG-CQSZACIVSA-N 0 3 308.381 3.661 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCCCO ZINC000294118443 335120270 /nfs/dbraw/zinc/12/02/70/335120270.db2.gz KOMZOUJSMXNIKS-LJQANCHMSA-N 0 3 313.441 3.818 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185398148 333208132 /nfs/dbraw/zinc/20/81/32/333208132.db2.gz ZDWFCVXHRVSQOT-LBPRGKRZSA-N 0 3 304.365 3.566 20 10 DHCDHN COCc1cc(CN[C@H](C)c2cc(OC)ccc2O)ccc1F ZINC000185495609 333209282 /nfs/dbraw/zinc/20/92/82/333209282.db2.gz QNTAWFNXMLBYRI-GFCCVEGCSA-N 0 3 319.376 3.537 20 10 DHCDHN COCc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])ccc1F ZINC000185495609 333209283 /nfs/dbraw/zinc/20/92/83/333209283.db2.gz QNTAWFNXMLBYRI-GFCCVEGCSA-N 0 3 319.376 3.537 20 10 DHCDHN Cc1cc([O-])c(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1C ZINC000295137152 335132347 /nfs/dbraw/zinc/13/23/47/335132347.db2.gz PJZDKCPQZZFWHV-UHFFFAOYSA-N 0 3 303.446 3.526 20 10 DHCDHN COc1ccc(O)c(CN[C@H](C)c2ccccc2SC)c1 ZINC000194924637 333317771 /nfs/dbraw/zinc/31/77/71/333317771.db2.gz UAMLZHWBTMZZNE-GFCCVEGCSA-N 0 3 303.427 3.974 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295973589 335138953 /nfs/dbraw/zinc/13/89/53/335138953.db2.gz JLUSHRHMTHNTDU-QGZVFWFLSA-N 0 3 319.470 3.920 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c([O-])c1 ZINC000320209614 333453317 /nfs/dbraw/zinc/45/33/17/333453317.db2.gz JBQXDNYEUAHKRI-CQSZACIVSA-N 0 3 307.397 3.942 20 10 DHCDHN C[C@H](O)C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297131654 335148654 /nfs/dbraw/zinc/14/86/54/335148654.db2.gz YZZVZAIBDZTFDP-BMGDILEWSA-N 0 3 311.425 3.524 20 10 DHCDHN Cc1cnc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)s1 ZINC000277404875 334088217 /nfs/dbraw/zinc/08/82/17/334088217.db2.gz IAGYCBVTCYYYME-UHFFFAOYSA-N 0 3 306.406 3.676 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000285414410 334147721 /nfs/dbraw/zinc/14/77/21/334147721.db2.gz XXVSVYRJUNGNMJ-CXAGYDPISA-N 0 3 303.377 3.532 20 10 DHCDHN COc1ccc(O)c(CN[C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000295925055 334228584 /nfs/dbraw/zinc/22/85/84/334228584.db2.gz FGIANTKVXDEOKF-QGZVFWFLSA-N 0 3 319.351 3.846 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1cnn(C(C)(C)C)c1 ZINC000355110318 336495070 /nfs/dbraw/zinc/49/50/70/336495070.db2.gz GGYSEAAWFABCHA-UHFFFAOYSA-N 0 3 310.445 3.728 20 10 DHCDHN CCOc1cccc(CN[C@H]2c3cccc(F)c3O[C@H]2C)c1O ZINC000360348247 336709380 /nfs/dbraw/zinc/70/93/80/336709380.db2.gz XBHGASWCSXQEKR-MEDUHNTESA-N 0 3 317.360 3.542 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000368483846 336845816 /nfs/dbraw/zinc/84/58/16/336845816.db2.gz VEJXRUOABFLJHG-DINDLPBHSA-N 0 3 317.360 3.713 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000372927010 336943210 /nfs/dbraw/zinc/94/32/10/336943210.db2.gz KHZKTXAZLZXQEW-UONOGXRCSA-N 0 3 323.396 3.724 20 10 DHCDHN Cc1cc(C)nc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000375700201 337017016 /nfs/dbraw/zinc/01/70/16/337017016.db2.gz DKWBEFOMLIZEPA-UHFFFAOYSA-N 0 3 324.472 3.539 20 10 DHCDHN Cc1cnc([C@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)s1 ZINC000378352642 337070875 /nfs/dbraw/zinc/07/08/75/337070875.db2.gz YVVRJXABIIABNT-AWEZNQCLSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1cnc([C@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)s1 ZINC000378352642 337070876 /nfs/dbraw/zinc/07/08/76/337070876.db2.gz YVVRJXABIIABNT-AWEZNQCLSA-N 0 3 302.443 3.845 20 10 DHCDHN COc1ccc([O-])c(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000180581076 337176485 /nfs/dbraw/zinc/17/64/85/337176485.db2.gz RBYUVJNMQKMOPY-UHFFFAOYSA-N 0 3 319.445 3.572 20 10 DHCDHN Cc1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1[O-] ZINC000180581029 337176575 /nfs/dbraw/zinc/17/65/75/337176575.db2.gz RJQUIGDXPADDOD-UHFFFAOYSA-N 0 3 303.446 3.872 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1-n1cccn1 ZINC000183559686 337192261 /nfs/dbraw/zinc/19/22/61/337192261.db2.gz BOFTZZAABMILBJ-CABCVRRESA-N 0 3 307.397 3.990 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1cc(F)ccc1[O-] ZINC000185693195 337250245 /nfs/dbraw/zinc/25/02/45/337250245.db2.gz VTYMRMQFMMMUJF-GFCCVEGCSA-N 0 3 320.433 3.912 20 10 DHCDHN CCOc1cccc(CN[C@H]2CCOc3c(C)cccc32)c1O ZINC000188951544 337276893 /nfs/dbraw/zinc/27/68/93/337276893.db2.gz WGWVRUZGGULIKR-INIZCTEOSA-N 0 3 313.397 3.713 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000527772443 337762641 /nfs/dbraw/zinc/76/26/41/337762641.db2.gz MQPWSGQFXMFSKA-IBGZPJMESA-N 0 3 312.413 3.817 20 10 DHCDHN COc1ccc(O)c(CN[C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527872988 337770801 /nfs/dbraw/zinc/77/08/01/337770801.db2.gz ZOMPDIMOWXVMTC-INIZCTEOSA-N 0 3 321.779 3.970 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c([O-])c1 ZINC000527952699 337774141 /nfs/dbraw/zinc/77/41/41/337774141.db2.gz VFMYTIWHYIDBFC-DOTOQJQBSA-N 0 3 302.462 3.758 20 10 DHCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2[O-])OC)c1 ZINC000527923406 337775240 /nfs/dbraw/zinc/77/52/40/337775240.db2.gz CYKIBGHXPVKWTO-IFXJQAMLSA-N 0 3 315.413 3.748 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(C)cc1[O-] ZINC000527960566 337780116 /nfs/dbraw/zinc/78/01/16/337780116.db2.gz CDYUSKSLBSVUSO-KRWDZBQOSA-N 0 3 309.413 3.828 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194415539 338526106 /nfs/dbraw/zinc/52/61/06/338526106.db2.gz JJEMEDMKUZEBHW-ZDUSSCGKSA-N 0 3 300.358 3.502 20 10 DHCDHN COc1cc(C)c(CNCc2c(C)c3ccccc3n2C)c(C)n1 ZINC000475192645 339440832 /nfs/dbraw/zinc/44/08/32/339440832.db2.gz RWHJNHWYJANCLT-UHFFFAOYSA-N 0 3 323.440 3.797 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C2CC2)cn1 ZINC000528041982 518160999 /nfs/dbraw/zinc/16/09/99/518160999.db2.gz BVIOEQJWISORRD-DNVCBOLYSA-N 0 3 310.397 3.524 20 10 DHCDHN CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000236808504 518857983 /nfs/dbraw/zinc/85/79/83/518857983.db2.gz JZWHLMBGRRYNIK-UHFFFAOYSA-N 0 3 313.397 3.637 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000155865415 522735920 /nfs/dbraw/zinc/73/59/20/522735920.db2.gz FQUJIFFMWYXOOK-PUECVXPYSA-N 0 3 303.377 3.694 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000366418500 522864453 /nfs/dbraw/zinc/86/44/53/522864453.db2.gz NAZSBQYDJGJFIG-RHSMWYFYSA-N 0 3 324.424 3.867 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000186009468 524765605 /nfs/dbraw/zinc/76/56/05/524765605.db2.gz DJCJOLDBFWMPHX-BDJLRTHQSA-N 0 3 317.360 3.714 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000184918036 525360367 /nfs/dbraw/zinc/36/03/67/525360367.db2.gz FIHJVRVJCHBOJA-SJKOYZFVSA-N 0 3 305.805 3.738 20 10 DHCDHN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185122402 525592764 /nfs/dbraw/zinc/59/27/64/525592764.db2.gz LCCIKBYBRYGDGU-SKOKVVANSA-N 0 3 323.436 3.580 20 10 DHCDHN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000185122402 525592770 /nfs/dbraw/zinc/59/27/70/525592770.db2.gz LCCIKBYBRYGDGU-SKOKVVANSA-N 0 3 323.436 3.580 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000180257699 526348598 /nfs/dbraw/zinc/34/85/98/526348598.db2.gz SAVNRMAIKCAMNX-GOEBONIOSA-N 0 3 321.417 3.681 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000180257699 526348604 /nfs/dbraw/zinc/34/86/04/526348604.db2.gz SAVNRMAIKCAMNX-GOEBONIOSA-N 0 3 321.417 3.681 20 10 DHCDHN c1ccc2c(c1)nccc2NCc1ccc(N2CCOCC2)cc1 ZINC000264714344 526515499 /nfs/dbraw/zinc/51/54/99/526515499.db2.gz UDXWBOCBYBNLNS-UHFFFAOYSA-N 0 3 319.408 3.684 20 10 DHCDHN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(F)ccc1[O-])CCC2 ZINC000180148832 527106536 /nfs/dbraw/zinc/10/65/36/527106536.db2.gz ZGJYFEOGNHDJKO-AWEZNQCLSA-N 0 3 306.406 3.806 20 10 DHCDHN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(F)ccc1[O-])CCC2 ZINC000180148832 527106541 /nfs/dbraw/zinc/10/65/41/527106541.db2.gz ZGJYFEOGNHDJKO-AWEZNQCLSA-N 0 3 306.406 3.806 20 10 DHCDHN COCC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421316 536809461 /nfs/dbraw/zinc/80/94/61/536809461.db2.gz JIWYFCCHXKOVAE-CZUORRHYSA-N 0 3 319.401 3.731 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(O)cc(Cl)c2)c1 ZINC000894502406 1013399178 /nfs/dbraw/zinc/39/91/78/1013399178.db2.gz RGNJSPVAUKFGNP-SNVBAGLBSA-N 0 3 307.777 3.611 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cnc2ccccn12)C1CCCC1 ZINC000160330783 1013855043 /nfs/dbraw/zinc/85/50/43/1013855043.db2.gz CENDEFLFVYRMKG-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2ccccn12)C1CCCC1 ZINC000160330783 1013855048 /nfs/dbraw/zinc/85/50/48/1013855048.db2.gz CENDEFLFVYRMKG-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000320701247 1014468858 /nfs/dbraw/zinc/46/88/58/1014468858.db2.gz IKGCGYAYSZLHHH-ZDUSSCGKSA-N 0 3 318.392 3.645 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOc2ccccc2C1 ZINC000322387446 1032093519 /nfs/dbraw/zinc/09/35/19/1032093519.db2.gz PTQCDJFAHZHKKQ-UHFFFAOYSA-N 0 3 305.377 3.940 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOc2ccccc2C1 ZINC000322387446 1032093526 /nfs/dbraw/zinc/09/35/26/1032093526.db2.gz PTQCDJFAHZHKKQ-UHFFFAOYSA-N 0 3 305.377 3.940 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000296031297 1014666443 /nfs/dbraw/zinc/66/64/43/1014666443.db2.gz QDIVGKCGGAALBC-LBPRGKRZSA-N 0 3 324.243 3.993 20 10 DHCDHN COc1ccc(CN2CCC[C@@H]2c2ccsc2)c(O)c1OC ZINC000891618106 1015448633 /nfs/dbraw/zinc/44/86/33/1015448633.db2.gz NJUIDWHAQTUQQJ-CQSZACIVSA-N 0 3 319.426 3.808 20 10 DHCDHN COc1ccc(C[N@H+](C2CC2)C2CCCCC2)c([O-])c1OC ZINC000891625678 1015464935 /nfs/dbraw/zinc/46/49/35/1015464935.db2.gz PQVKZLXLIMUYCP-UHFFFAOYSA-N 0 3 305.418 3.707 20 10 DHCDHN COc1ccc(C[N@@H+](C2CC2)C2CCCCC2)c([O-])c1OC ZINC000891625678 1015464938 /nfs/dbraw/zinc/46/49/38/1015464938.db2.gz PQVKZLXLIMUYCP-UHFFFAOYSA-N 0 3 305.418 3.707 20 10 DHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC000896527859 1015612817 /nfs/dbraw/zinc/61/28/17/1015612817.db2.gz IILPRKZYXXPYDQ-CQSZACIVSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC000896527859 1015612820 /nfs/dbraw/zinc/61/28/20/1015612820.db2.gz IILPRKZYXXPYDQ-CQSZACIVSA-N 0 3 302.443 3.612 20 10 DHCDHN COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c([O-])c1OC ZINC000891781565 1015614508 /nfs/dbraw/zinc/61/45/08/1015614508.db2.gz JFEODKXRHMXNEN-OAHLLOKOSA-N 0 3 305.418 3.564 20 10 DHCDHN COc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c([O-])c1OC ZINC000891781565 1015614516 /nfs/dbraw/zinc/61/45/16/1015614516.db2.gz JFEODKXRHMXNEN-OAHLLOKOSA-N 0 3 305.418 3.564 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1[O-] ZINC000281662829 1016653168 /nfs/dbraw/zinc/65/31/68/1016653168.db2.gz QHNFNUZIBCNPSX-HNNXBMFYSA-N 0 3 317.458 3.558 20 10 DHCDHN COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185574514 1017024899 /nfs/dbraw/zinc/02/48/99/1017024899.db2.gz BRVVUOCVTYMBIN-CABCVRRESA-N 0 3 315.413 3.827 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000192783931 1017058417 /nfs/dbraw/zinc/05/84/17/1017058417.db2.gz VYKGTFFLEAIIFZ-UONOGXRCSA-N 0 3 313.397 3.884 20 10 DHCDHN CCCn1nc(C)c(CNCc2c(C)c3ccccc3n2C)c1C ZINC000475193763 1017066609 /nfs/dbraw/zinc/06/66/09/1017066609.db2.gz UGWLOQWNZZLFPO-UHFFFAOYSA-N 0 3 324.472 4.000 20 10 DHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1cccc(F)c1)OCO2 ZINC000054569570 1032415189 /nfs/dbraw/zinc/41/51/89/1032415189.db2.gz NFMUXZQDBCFVLH-HNNXBMFYSA-N 0 3 315.344 3.597 20 10 DHCDHN Oc1ccccc1CN(Cc1ccsc1)C[C@H]1CCCO1 ZINC000160204888 1012019192 /nfs/dbraw/zinc/01/91/92/1012019192.db2.gz APKQJPKOPYCWFL-MRXNPFEDSA-N 0 3 303.427 3.635 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000185980008 1017595390 /nfs/dbraw/zinc/59/53/90/1017595390.db2.gz BCWIWLYWTPISSR-KBPBESRZSA-N 0 3 322.449 3.655 20 10 DHCDHN COc1cccc(OCCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000186066563 1017680055 /nfs/dbraw/zinc/68/00/55/1017680055.db2.gz LLDBKAXZZJPRMT-CYBMUJFWSA-N 0 3 319.376 3.660 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171497821 1032736739 /nfs/dbraw/zinc/73/67/39/1032736739.db2.gz WTQYSAXOWLQJOY-HNNXBMFYSA-N 0 3 315.363 3.586 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171497821 1032736754 /nfs/dbraw/zinc/73/67/54/1032736754.db2.gz WTQYSAXOWLQJOY-HNNXBMFYSA-N 0 3 315.363 3.586 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cc(F)ccc1[O-] ZINC000926918930 1032763130 /nfs/dbraw/zinc/76/31/30/1032763130.db2.gz JVUWNQHPSKGCQO-VXGBXAGGSA-N 0 3 301.361 3.706 20 10 DHCDHN CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])s1 ZINC000858121017 1032773206 /nfs/dbraw/zinc/77/32/06/1032773206.db2.gz RTLQOGVPZQOWPU-UHFFFAOYSA-N 0 3 319.426 3.699 20 10 DHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000765328371 1018756989 /nfs/dbraw/zinc/75/69/89/1018756989.db2.gz FHHDVVPJPOMHMF-GJZGRUSLSA-N 0 3 316.470 3.997 20 10 DHCDHN CCSc1cc(CNCc2ccc3c(c2)CCCO3)ccn1 ZINC000922018565 1019311421 /nfs/dbraw/zinc/31/14/21/1019311421.db2.gz YRFFDYBLBMEQRE-UHFFFAOYSA-N 0 3 314.454 3.808 20 10 DHCDHN COc1ccc([C@H](NCc2ccc3c(c2)CCCO3)C2CC2)cn1 ZINC000922299029 1019980494 /nfs/dbraw/zinc/98/04/94/1019980494.db2.gz AQPHGWYOIPLFOC-HXUWFJFHSA-N 0 3 324.424 3.656 20 10 DHCDHN CCCOc1ccc(CNCc2cc(N(C)C)ccn2)cc1C ZINC000922477935 1020094010 /nfs/dbraw/zinc/09/40/10/1020094010.db2.gz MWZGACNSNCCVNC-UHFFFAOYSA-N 0 3 313.445 3.535 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000731848111 1020157863 /nfs/dbraw/zinc/15/78/63/1020157863.db2.gz SFCWCABBFWEXBS-UHFFFAOYSA-N 0 3 317.351 3.716 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000731848111 1020157867 /nfs/dbraw/zinc/15/78/67/1020157867.db2.gz SFCWCABBFWEXBS-UHFFFAOYSA-N 0 3 317.351 3.716 20 10 DHCDHN C[C@H](CC1CC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765993026 1020163515 /nfs/dbraw/zinc/16/35/15/1020163515.db2.gz KPEPFHANNYERKX-DYVFJYSZSA-N 0 3 322.880 3.788 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c([O-])c1 ZINC000922844997 1020308077 /nfs/dbraw/zinc/30/80/77/1020308077.db2.gz JMTQQKYAVFARAX-AWEZNQCLSA-N 0 3 307.459 3.699 20 10 DHCDHN C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccccc1[O-] ZINC000186410717 1020311308 /nfs/dbraw/zinc/31/13/08/1020311308.db2.gz ZBBMPPQXSFJTDA-CYBMUJFWSA-N 0 3 312.388 3.916 20 10 DHCDHN COc1cccc(CNCc2cc(C)ccc2O)c1OC(F)F ZINC000733326671 1020373649 /nfs/dbraw/zinc/37/36/49/1020373649.db2.gz STMIYTPKVFHCPL-UHFFFAOYSA-N 0 3 323.339 3.600 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463658 1020407265 /nfs/dbraw/zinc/40/72/65/1020407265.db2.gz FXSDEFBUEWSNAJ-RTBURBONSA-N 0 3 322.452 3.634 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000179553435 1020409229 /nfs/dbraw/zinc/40/92/29/1020409229.db2.gz OAEFNWLVUGDXBO-MRXNPFEDSA-N 0 3 311.381 3.501 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000179553435 1020409232 /nfs/dbraw/zinc/40/92/32/1020409232.db2.gz OAEFNWLVUGDXBO-MRXNPFEDSA-N 0 3 311.381 3.501 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000858490706 1032918283 /nfs/dbraw/zinc/91/82/83/1032918283.db2.gz MHSJNFYLBHJNGX-XJKSGUPXSA-N 0 3 310.869 3.818 20 10 DHCDHN C[C@@H]1[C@H](C)SCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000735668496 1020760870 /nfs/dbraw/zinc/76/08/70/1020760870.db2.gz JYLSQRJRDGTEAS-NEPJUHHUSA-N 0 3 309.475 3.721 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@H](C)[C@H]3C)c2c1 ZINC000735666154 1020761321 /nfs/dbraw/zinc/76/13/21/1020761321.db2.gz CKTTUUVPZARGPG-CHWSQXEVSA-N 0 3 317.454 3.880 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@H](C)[C@H]3C)c2c1 ZINC000735666154 1020761329 /nfs/dbraw/zinc/76/13/29/1020761329.db2.gz CKTTUUVPZARGPG-CHWSQXEVSA-N 0 3 317.454 3.880 20 10 DHCDHN CCOc1ccc(CNC2(c3ccccc3F)CC2)c(O)c1 ZINC000736361762 1020811011 /nfs/dbraw/zinc/81/10/11/1020811011.db2.gz VDHMEUJTMGMLQB-UHFFFAOYSA-N 0 3 301.361 3.709 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000738098966 1020860463 /nfs/dbraw/zinc/86/04/63/1020860463.db2.gz MMOOKSJMHFIEDJ-GOSISDBHSA-N 0 3 324.468 3.996 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000738098966 1020860467 /nfs/dbraw/zinc/86/04/67/1020860467.db2.gz MMOOKSJMHFIEDJ-GOSISDBHSA-N 0 3 324.468 3.996 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171930002 1032941292 /nfs/dbraw/zinc/94/12/92/1032941292.db2.gz NBOOYBHWMGFNCN-UHFFFAOYSA-N 0 3 319.445 3.725 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171930002 1032941304 /nfs/dbraw/zinc/94/13/04/1032941304.db2.gz NBOOYBHWMGFNCN-UHFFFAOYSA-N 0 3 319.445 3.725 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1cnn(C)c1 ZINC000742371954 1021112895 /nfs/dbraw/zinc/11/28/95/1021112895.db2.gz DPRQJOWJXNUIPW-CQSZACIVSA-N 0 3 307.397 3.644 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1cnn(C)c1 ZINC000742371953 1021113081 /nfs/dbraw/zinc/11/30/81/1021113081.db2.gz DPRQJOWJXNUIPW-AWEZNQCLSA-N 0 3 307.397 3.644 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000742372244 1021113188 /nfs/dbraw/zinc/11/31/88/1021113188.db2.gz KIMSLRCOCQCYHS-KXBFYZLASA-N 0 3 311.425 3.700 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000176985699 1021191255 /nfs/dbraw/zinc/19/12/55/1021191255.db2.gz MYMMWQISRJXXOH-QWRGUYRKSA-N 0 3 304.321 3.851 20 10 DHCDHN COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000176983586 1021192066 /nfs/dbraw/zinc/19/20/66/1021192066.db2.gz MYCAJWVNMCDFSX-NEPJUHHUSA-N 0 3 319.376 3.960 20 10 DHCDHN CCc1cccc2cc(CNCc3cc(OC)ccc3O)oc21 ZINC000850137995 1021426010 /nfs/dbraw/zinc/42/60/10/1021426010.db2.gz ZXTRJLUFGNZYMY-UHFFFAOYSA-N 0 3 311.381 3.999 20 10 DHCDHN CN(C)c1ccc(/C=C/CNCc2c(C3CCC3)cnn2C)cc1 ZINC000850394351 1021507017 /nfs/dbraw/zinc/50/70/17/1021507017.db2.gz WPTHESOAXMJTTR-AATRIKPKSA-N 0 3 324.472 3.557 20 10 DHCDHN C[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccn1 ZINC000850483376 1021559001 /nfs/dbraw/zinc/55/90/01/1021559001.db2.gz WQQCQBRJCDAQRK-YWPYICTPSA-N 0 3 300.377 3.868 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000850495275 1021563523 /nfs/dbraw/zinc/56/35/23/1021563523.db2.gz ZHXVIFLDOQIZOM-YRGRVCCFSA-N 0 3 306.425 3.542 20 10 DHCDHN COc1cccc(OC)c1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000850505216 1021566487 /nfs/dbraw/zinc/56/64/87/1021566487.db2.gz PJKGYRVXMCZVRU-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccnc3ccccc13)CC2 ZINC000850506095 1021566546 /nfs/dbraw/zinc/56/65/46/1021566546.db2.gz FKUAVTDTFVECEU-GOSISDBHSA-N 0 3 304.393 3.760 20 10 DHCDHN C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000850523084 1021575013 /nfs/dbraw/zinc/57/50/13/1021575013.db2.gz YBJHUVJQVIIQKB-IAQYHMDHSA-N 0 3 319.351 3.715 20 10 DHCDHN C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538911 1021593985 /nfs/dbraw/zinc/59/39/85/1021593985.db2.gz ODTRKGKTKIDVHE-TZMCWYRMSA-N 0 3 324.415 3.728 20 10 DHCDHN C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538911 1021593990 /nfs/dbraw/zinc/59/39/90/1021593990.db2.gz ODTRKGKTKIDVHE-TZMCWYRMSA-N 0 3 324.415 3.728 20 10 DHCDHN C[C@@H](NCc1c(C2CCC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850548967 1021597878 /nfs/dbraw/zinc/59/78/78/1021597878.db2.gz CEQZPLIOTGTRDA-CQSZACIVSA-N 0 3 312.461 3.604 20 10 DHCDHN CC[C@@H]([NH2+]CC1(CC(=O)NC)CCCCC1)c1ccccc1[O-] ZINC000850554121 1021600682 /nfs/dbraw/zinc/60/06/82/1021600682.db2.gz BVUFNLSDPKESQA-MRXNPFEDSA-N 0 3 318.461 3.520 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2nc3ccccc3nc2C)c1 ZINC000182406057 1021639311 /nfs/dbraw/zinc/63/93/11/1021639311.db2.gz KVRPCLFFQOGDCO-GFCCVEGCSA-N 0 3 323.396 3.503 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2nc3ccccc3nc2C)c1 ZINC000182406035 1021640656 /nfs/dbraw/zinc/64/06/56/1021640656.db2.gz KVRPCLFFQOGDCO-LBPRGKRZSA-N 0 3 323.396 3.503 20 10 DHCDHN CCOC(=O)N[C@H](C[NH2+][C@@H](CC)c1ccccc1[O-])CC(C)C ZINC000155021815 1021819326 /nfs/dbraw/zinc/81/93/26/1021819326.db2.gz OEDCIXGOROQAOA-HOCLYGCPSA-N 0 3 322.449 3.594 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000756337967 1021944449 /nfs/dbraw/zinc/94/44/49/1021944449.db2.gz ZXUDYQVVJPVNJE-SFHVURJKSA-N 0 3 303.446 3.954 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000756337967 1021944456 /nfs/dbraw/zinc/94/44/56/1021944456.db2.gz ZXUDYQVVJPVNJE-SFHVURJKSA-N 0 3 303.446 3.954 20 10 DHCDHN CCCCN(Cc1cc(OC)ns1)Cc1ccccc1O ZINC000852017629 1022060880 /nfs/dbraw/zinc/06/08/80/1022060880.db2.gz FDRKYQBGHCQOIE-UHFFFAOYSA-N 0 3 306.431 3.660 20 10 DHCDHN COc1cc(O)c(CN2CCc3ccccc3[C@H]2C)cc1OC ZINC000180076123 1022107907 /nfs/dbraw/zinc/10/79/07/1022107907.db2.gz RLQYEIUWUMYMDQ-CYBMUJFWSA-N 0 3 313.397 3.529 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CCc1c(C)oc2ccccc21 ZINC000766477652 1022129649 /nfs/dbraw/zinc/12/96/49/1022129649.db2.gz DNXFWOPPDFVFNY-UHFFFAOYSA-N 0 3 311.381 3.788 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000183451567 1022147375 /nfs/dbraw/zinc/14/73/75/1022147375.db2.gz CBZWRGQPCPIKPL-GJZGRUSLSA-N 0 3 324.424 3.931 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccccc1[O-] ZINC000183514534 1022169786 /nfs/dbraw/zinc/16/97/86/1022169786.db2.gz XDQJTURKJWKINN-LRDDRELGSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(-n2cccn2)c1 ZINC000183539265 1022180356 /nfs/dbraw/zinc/18/03/56/1022180356.db2.gz WEAZPRMKYMHTBO-CABCVRRESA-N 0 3 307.397 3.990 20 10 DHCDHN C[C@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853241386 1022242501 /nfs/dbraw/zinc/24/25/01/1022242501.db2.gz LSTVMINRQYRXDJ-WMLDXEAASA-N 0 3 319.408 3.916 20 10 DHCDHN CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185046496 1022454406 /nfs/dbraw/zinc/45/44/06/1022454406.db2.gz RCXZWUKEXSLHAM-GFCCVEGCSA-N 0 3 304.365 3.564 20 10 DHCDHN COc1ccc(OCCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185127221 1022460218 /nfs/dbraw/zinc/46/02/18/1022460218.db2.gz PLFMEKKCVBSQLJ-ZDUSSCGKSA-N 0 3 319.376 3.660 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000238099951 1022685357 /nfs/dbraw/zinc/68/53/57/1022685357.db2.gz VAGZDBWDUHZCCD-UHFFFAOYSA-N 0 3 311.303 3.580 20 10 DHCDHN CN1CCC[C@@H]1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000767396347 1022711044 /nfs/dbraw/zinc/71/10/44/1022711044.db2.gz DKQXMMBWSNZKMS-QGZVFWFLSA-N 0 3 302.462 3.621 20 10 DHCDHN CN1CCC[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000767396347 1022711059 /nfs/dbraw/zinc/71/10/59/1022711059.db2.gz DKQXMMBWSNZKMS-QGZVFWFLSA-N 0 3 302.462 3.621 20 10 DHCDHN CCCN(CC(=O)Nc1ccc(C)cc1)Cc1ccccc1O ZINC000069009960 1022860133 /nfs/dbraw/zinc/86/01/33/1022860133.db2.gz YCNTVODLKKCSEG-UHFFFAOYSA-N 0 3 312.413 3.551 20 10 DHCDHN COc1ccc(CN(Cc2c(O)cccc2OC)C2CC2)cc1 ZINC000768199198 1022913964 /nfs/dbraw/zinc/91/39/64/1022913964.db2.gz FVKONVZHLJHCBF-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN CCOc1ccc(CN(C)Cc2ccc(OC)c(F)c2)c(O)c1 ZINC000768201517 1022914243 /nfs/dbraw/zinc/91/42/43/1022914243.db2.gz YHHKRSJQSJSEOZ-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(F)c2)c([O-])c1 ZINC000768201517 1022914251 /nfs/dbraw/zinc/91/42/51/1022914251.db2.gz YHHKRSJQSJSEOZ-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(F)c2)c([O-])c1 ZINC000768201517 1022914260 /nfs/dbraw/zinc/91/42/60/1022914260.db2.gz YHHKRSJQSJSEOZ-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000768214926 1022928786 /nfs/dbraw/zinc/92/87/86/1022928786.db2.gz HMGIFQOXIXWUGJ-UHFFFAOYSA-N 0 3 313.372 3.829 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000768214926 1022928793 /nfs/dbraw/zinc/92/87/93/1022928793.db2.gz HMGIFQOXIXWUGJ-UHFFFAOYSA-N 0 3 313.372 3.829 20 10 DHCDHN COc1cccc(O)c1CN1CCSC[C@H]1c1ccccc1 ZINC000768248988 1022932983 /nfs/dbraw/zinc/93/29/83/1022932983.db2.gz NBNDFLNTKVYVQI-INIZCTEOSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000768330062 1022945078 /nfs/dbraw/zinc/94/50/78/1022945078.db2.gz NCVFMFXKZZWNGN-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000768330062 1022945089 /nfs/dbraw/zinc/94/50/89/1022945089.db2.gz NCVFMFXKZZWNGN-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)c1[O-] ZINC000768534557 1022983721 /nfs/dbraw/zinc/98/37/21/1022983721.db2.gz FPIBOSMAODDMMH-HXUWFJFHSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)c1[O-] ZINC000768534557 1022983726 /nfs/dbraw/zinc/98/37/26/1022983726.db2.gz FPIBOSMAODDMMH-HXUWFJFHSA-N 0 3 311.425 3.998 20 10 DHCDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768912636 1023054973 /nfs/dbraw/zinc/05/49/73/1023054973.db2.gz ATNOTDBFHWAYCJ-CKEIUWERSA-N 0 3 322.880 3.883 20 10 DHCDHN CC(C)N(Cc1ccc(N(C)C)c(F)c1)Cc1ccccn1 ZINC000768927556 1023057352 /nfs/dbraw/zinc/05/73/52/1023057352.db2.gz YHDZTAFYVVSSAA-UHFFFAOYSA-N 0 3 301.409 3.697 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000769497795 1023167011 /nfs/dbraw/zinc/16/70/11/1023167011.db2.gz BHULPBXEVHQXMB-WBVHZDCISA-N 0 3 311.425 3.854 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000769497795 1023167015 /nfs/dbraw/zinc/16/70/15/1023167015.db2.gz BHULPBXEVHQXMB-WBVHZDCISA-N 0 3 311.425 3.854 20 10 DHCDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])Oc1ccc(F)cc1 ZINC000756607634 1023168963 /nfs/dbraw/zinc/16/89/63/1023168963.db2.gz GNIRXEINZNPBAE-VXGBXAGGSA-N 0 3 307.340 3.789 20 10 DHCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000876804189 1033146580 /nfs/dbraw/zinc/14/65/80/1033146580.db2.gz NJHKSAXROSNMEX-RDJZCZTQSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000876804189 1033146589 /nfs/dbraw/zinc/14/65/89/1033146589.db2.gz NJHKSAXROSNMEX-RDJZCZTQSA-N 0 3 317.454 3.850 20 10 DHCDHN CSc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000772469021 1023558229 /nfs/dbraw/zinc/55/82/29/1023558229.db2.gz GDHAHPZMOKWEPE-CYBMUJFWSA-N 0 3 301.459 3.720 20 10 DHCDHN Cc1cccc(O)c1CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000876778919 1033140970 /nfs/dbraw/zinc/14/09/70/1033140970.db2.gz RZBNAXDDRIIHML-GUYCJALGSA-N 0 3 303.427 3.724 20 10 DHCDHN Cc1c([C@H](C)NCc2ccc(N(C)C)cc2C)cnn1C(C)C ZINC000786909904 1023736692 /nfs/dbraw/zinc/73/66/92/1023736692.db2.gz CFFUWCHHARKZPJ-HNNXBMFYSA-N 0 3 314.477 3.998 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccccc1[O-] ZINC000788260243 1023866920 /nfs/dbraw/zinc/86/69/20/1023866920.db2.gz XFJWBJQIRQSMQF-HOTGVXAUSA-N 0 3 301.434 3.606 20 10 DHCDHN CCN(CC)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788497854 1023895378 /nfs/dbraw/zinc/89/53/78/1023895378.db2.gz KMAYMHKMLABWQH-LBPRGKRZSA-N 0 3 318.383 3.794 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000788600386 1023911332 /nfs/dbraw/zinc/91/13/32/1023911332.db2.gz CKOVLRCEBYMJEH-AEFFLSMTSA-N 0 3 313.441 3.826 20 10 DHCDHN Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c([O-])c1 ZINC000876964054 1033192833 /nfs/dbraw/zinc/19/28/33/1033192833.db2.gz QKYNUTUAJLAITL-UHFFFAOYSA-N 0 3 324.424 3.507 20 10 DHCDHN CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443303 1024508271 /nfs/dbraw/zinc/50/82/71/1024508271.db2.gz GVDLWOUNTKXBLE-OALUTQOASA-N 0 3 316.420 3.666 20 10 DHCDHN COc1ccccc1[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000317699527 1024614855 /nfs/dbraw/zinc/61/48/55/1024614855.db2.gz DBWCEIGHIUZPSM-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000317699527 1024614858 /nfs/dbraw/zinc/61/48/58/1024614858.db2.gz DBWCEIGHIUZPSM-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN COc1cccc(CNC2(c3nc(C)cs3)CCCC2)c1O ZINC000112711092 1024783257 /nfs/dbraw/zinc/78/32/57/1024783257.db2.gz SPWLTISDHBELEQ-UHFFFAOYSA-N 0 3 318.442 3.725 20 10 DHCDHN CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccccc1[O-] ZINC000121086965 1025070766 /nfs/dbraw/zinc/07/07/66/1025070766.db2.gz IKRXRQBVDSLZST-GOSISDBHSA-N 0 3 315.413 3.658 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)c([O-])c1 ZINC000793619111 1025131957 /nfs/dbraw/zinc/13/19/57/1025131957.db2.gz FDBZJTSKYOGUFI-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN c1ccc(N2CCCCC2)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000236669465 1025419164 /nfs/dbraw/zinc/41/91/64/1025419164.db2.gz VVAUNBLSMHOHHW-UHFFFAOYSA-N 0 3 322.452 3.902 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c([O-])c1 ZINC000886344371 1025597484 /nfs/dbraw/zinc/59/74/84/1025597484.db2.gz CURMZZSGGPXJCC-SFHVURJKSA-N 0 3 319.445 3.620 20 10 DHCDHN CC(C)[C@H](NCc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC000886502732 1025657280 /nfs/dbraw/zinc/65/72/80/1025657280.db2.gz LUXBMBQVUOPBRM-IBGZPJMESA-N 0 3 312.461 3.507 20 10 DHCDHN COc1cc(C)cc(CNCc2cccc(Cl)c2OC)c1O ZINC000897479829 1025740845 /nfs/dbraw/zinc/74/08/45/1025740845.db2.gz JTCUUCRZNSQYPH-UHFFFAOYSA-N 0 3 321.804 3.661 20 10 DHCDHN CCc1cccc(CNCc2cccc(Cl)c2OC)c1O ZINC000897480026 1025750539 /nfs/dbraw/zinc/75/05/39/1025750539.db2.gz ORBXNABGXUKVQG-UHFFFAOYSA-N 0 3 305.805 3.906 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141069 1025801041 /nfs/dbraw/zinc/80/10/41/1025801041.db2.gz FOZIFMJCQJCUJV-IOASZLSFSA-N 0 3 310.869 3.959 20 10 DHCDHN C[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOC2(CCC2)C1 ZINC000886777015 1025896141 /nfs/dbraw/zinc/89/61/41/1025896141.db2.gz VXYVXQGKHLPAJI-MAUKXSAKSA-N 0 3 301.430 3.709 20 10 DHCDHN C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289860121 1026202733 /nfs/dbraw/zinc/20/27/33/1026202733.db2.gz QXQWQNJWUQWFNK-SJCJKPOMSA-N 0 3 303.427 3.592 20 10 DHCDHN COc1cc(Cl)cc(CN[C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000290010032 1026280784 /nfs/dbraw/zinc/28/07/84/1026280784.db2.gz DPLQRGOGJVHRCB-QFYYESIMSA-N 0 3 319.788 3.666 20 10 DHCDHN CC[C@H](NCc1cn2cc(C)ccc2n1)c1ccc(C)cc1O ZINC000279966068 1026285536 /nfs/dbraw/zinc/28/55/36/1026285536.db2.gz CPHXHBCBYBVJEF-KRWDZBQOSA-N 0 3 309.413 3.898 20 10 DHCDHN COc1cc(C)cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1O ZINC000894193528 1026338730 /nfs/dbraw/zinc/33/87/30/1026338730.db2.gz RORLBRDRQJGKMR-IUODEOHRSA-N 0 3 301.386 3.715 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccccc2CO)c1[O-] ZINC000808680164 1026347437 /nfs/dbraw/zinc/34/74/37/1026347437.db2.gz ITLVRVXFGBMTJO-LBPRGKRZSA-N 0 3 305.805 3.697 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000808691187 1026349842 /nfs/dbraw/zinc/34/98/42/1026349842.db2.gz GBHLOBINCSAYDE-CZUORRHYSA-N 0 3 319.832 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2OCO3)c1[O-] ZINC000808679156 1026356301 /nfs/dbraw/zinc/35/63/01/1026356301.db2.gz FKCMWKQUBQWZLB-NSHDSACASA-N 0 3 319.788 3.934 20 10 DHCDHN CCOC(CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])OCC ZINC000808714806 1026361992 /nfs/dbraw/zinc/36/19/92/1026361992.db2.gz CGBBFFLLDCEQSB-LBPRGKRZSA-N 0 3 315.841 3.794 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccccc1[O-] ZINC000808728142 1026371726 /nfs/dbraw/zinc/37/17/26/1026371726.db2.gz CQKUONFIWOILON-GDBMZVCRSA-N 0 3 301.361 3.576 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)c1[O-] ZINC000808697675 1026373421 /nfs/dbraw/zinc/37/34/21/1026373421.db2.gz QWTHPIDUCKEFKI-IINYFYTJSA-N 0 3 311.834 3.800 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(C)cc1[O-] ZINC000280117682 1026591142 /nfs/dbraw/zinc/59/11/42/1026591142.db2.gz OCAFPMSYLIFEPB-QGZVFWFLSA-N 0 3 303.377 3.573 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CC2(c3ccccn3)CCC2)c1[O-] ZINC000809710883 1026602262 /nfs/dbraw/zinc/60/22/62/1026602262.db2.gz BQGFWFVRCZRXME-UHFFFAOYSA-N 0 3 316.832 3.961 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CC[C@@H](O)c2ccccc2)c1[O-] ZINC000809747242 1026614757 /nfs/dbraw/zinc/61/47/57/1026614757.db2.gz MCXWMCWGCGKHJD-MRXNPFEDSA-N 0 3 305.805 3.567 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000280227174 1026618168 /nfs/dbraw/zinc/61/81/68/1026618168.db2.gz VCFBZEDNEDUKQL-MRXNPFEDSA-N 0 3 313.397 3.713 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(C)cc1[O-] ZINC000280249570 1026624626 /nfs/dbraw/zinc/62/46/26/1026624626.db2.gz WNNKDOVTWFRQNV-ATLSCFEFSA-N 0 3 301.430 3.699 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000280302093 1026632649 /nfs/dbraw/zinc/63/26/49/1026632649.db2.gz ZYSKRRFFSZYABX-SJLPKXTDSA-N 0 3 303.377 3.614 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214301 1026707600 /nfs/dbraw/zinc/70/76/00/1026707600.db2.gz UXSDZBLWOXMJOT-BXUZGUMPSA-N 0 3 318.383 3.792 20 10 DHCDHN CCCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000810263069 1026722035 /nfs/dbraw/zinc/72/20/35/1026722035.db2.gz KSCKOWYKBGVYQH-KCQAQPDRSA-N 0 3 308.441 3.790 20 10 DHCDHN CCCN(CC)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000810263072 1026722862 /nfs/dbraw/zinc/72/28/62/1026722862.db2.gz KSCKOWYKBGVYQH-YDHLFZDLSA-N 0 3 308.441 3.790 20 10 DHCDHN CC[C@]1(C[NH2+][C@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000810243646 1026727395 /nfs/dbraw/zinc/72/73/95/1026727395.db2.gz SJGGIGVFEKWYCK-FOIQADDNSA-N 0 3 311.425 3.921 20 10 DHCDHN CC[C@@]1(C[NH2+][C@@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000810243749 1026727692 /nfs/dbraw/zinc/72/76/92/1026727692.db2.gz SJGGIGVFEKWYCK-YWZLYKJASA-N 0 3 311.425 3.921 20 10 DHCDHN CC[C@]1(C[NH2+][C@@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000810243647 1026728082 /nfs/dbraw/zinc/72/80/82/1026728082.db2.gz SJGGIGVFEKWYCK-MGPUTAFESA-N 0 3 311.425 3.921 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3O)c1[O-] ZINC000271866969 1027167810 /nfs/dbraw/zinc/16/78/10/1027167810.db2.gz LRBFERUUJBSKRC-OAHLLOKOSA-N 0 3 303.789 3.837 20 10 DHCDHN C[C@H]([NH2+]Cc1cnc(N(C)C)c2ccccc12)c1ccccc1[O-] ZINC000931558618 1027168931 /nfs/dbraw/zinc/16/89/31/1027168931.db2.gz VLISRCGFAXERIO-AWEZNQCLSA-N 0 3 321.424 3.857 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCCCC3)nc1)CC2 ZINC000295917587 1027490381 /nfs/dbraw/zinc/49/03/81/1027490381.db2.gz JPLRRMZKJHTJPV-KRWDZBQOSA-N 0 3 323.440 3.555 20 10 DHCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000296238715 1027583102 /nfs/dbraw/zinc/58/31/02/1027583102.db2.gz ASQBCTCDADRXHO-RYUDHWBXSA-N 0 3 305.340 3.709 20 10 DHCDHN CC(C)c1nc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cs1 ZINC000296237817 1027584423 /nfs/dbraw/zinc/58/44/23/1027584423.db2.gz ARLXRHNDHZRTEB-AWEZNQCLSA-N 0 3 302.443 3.792 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)c(F)c(F)c2)c1 ZINC000813331769 1027609028 /nfs/dbraw/zinc/60/90/28/1027609028.db2.gz UMQQHLSEQZDVPB-SECBINFHSA-N 0 3 311.303 3.669 20 10 DHCDHN Cc1cnn(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c1 ZINC000363400998 1027620676 /nfs/dbraw/zinc/62/06/76/1027620676.db2.gz QNTHKZSMEODWQG-UHFFFAOYSA-N 0 3 321.424 3.887 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2cccc(C(F)(F)F)n2)c1 ZINC000296437131 1027636687 /nfs/dbraw/zinc/63/66/87/1027636687.db2.gz MDKXZFITTHTRTM-LLVKDONJSA-N 0 3 310.319 3.965 20 10 DHCDHN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296470216 1027647846 /nfs/dbraw/zinc/64/78/46/1027647846.db2.gz OJTHKPIRHNHWHB-BLLLJJGKSA-N 0 3 313.445 3.990 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000296525458 1027660745 /nfs/dbraw/zinc/66/07/45/1027660745.db2.gz RIFHVFJXAODJBY-LMMKCTJWSA-N 0 3 309.409 3.889 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1[O-] ZINC000364380887 1027817403 /nfs/dbraw/zinc/81/74/03/1027817403.db2.gz SLLXFDDIRKBGDH-NVXWUHKLSA-N 0 3 313.445 3.768 20 10 DHCDHN CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000364622941 1027856554 /nfs/dbraw/zinc/85/65/54/1027856554.db2.gz MLHLWJXPJVYNJZ-NVXWUHKLSA-N 0 3 313.445 3.939 20 10 DHCDHN CCc1nccn1[C@@H]1CCC[N@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000364622941 1027856575 /nfs/dbraw/zinc/85/65/75/1027856575.db2.gz MLHLWJXPJVYNJZ-NVXWUHKLSA-N 0 3 313.445 3.939 20 10 DHCDHN COc1ccc([C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C2CC2)cn1 ZINC000528042619 1028057322 /nfs/dbraw/zinc/05/73/22/1028057322.db2.gz FZWGTXWHTIPCED-ZMZPIMSZSA-N 0 3 316.376 3.737 20 10 DHCDHN Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000366496681 1028088009 /nfs/dbraw/zinc/08/80/09/1028088009.db2.gz YJPZUEMBVCZQNE-WCQYABFASA-N 0 3 302.443 3.928 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000779058379 1028104255 /nfs/dbraw/zinc/10/42/55/1028104255.db2.gz RLGBEKMAKZIQRE-OAHLLOKOSA-N 0 3 305.324 3.674 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000779064947 1028138626 /nfs/dbraw/zinc/13/86/26/1028138626.db2.gz LOYRGYCSLKFZNW-UHFFFAOYSA-N 0 3 318.779 3.998 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc2ccccc21 ZINC000815070034 1028348468 /nfs/dbraw/zinc/34/84/68/1028348468.db2.gz JMVOHJJZPIIAKA-FQEVSTJZSA-N 0 3 307.393 3.711 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cccc2ccccc21 ZINC000815070034 1028348476 /nfs/dbraw/zinc/34/84/76/1028348476.db2.gz JMVOHJJZPIIAKA-FQEVSTJZSA-N 0 3 307.393 3.711 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC000815564241 1028545756 /nfs/dbraw/zinc/54/57/56/1028545756.db2.gz CPACFJIPYWKJIY-AEFFLSMTSA-N 0 3 313.441 3.511 20 10 DHCDHN COC[C@@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815566380 1028546165 /nfs/dbraw/zinc/54/61/65/1028546165.db2.gz RPXPWDSQUGKGJC-QFBILLFUSA-N 0 3 313.441 3.938 20 10 DHCDHN COc1cc(CC[NH2+][C@@H](C)c2ccccc2[O-])ccc1Cl ZINC000815658118 1028583548 /nfs/dbraw/zinc/58/35/48/1028583548.db2.gz TWPFFHXTNUDBIT-LBPRGKRZSA-N 0 3 305.805 3.948 20 10 DHCDHN COc1cc(CC[NH2+][C@H](C)c2ccccc2[O-])ccc1Cl ZINC000815658117 1028585193 /nfs/dbraw/zinc/58/51/93/1028585193.db2.gz TWPFFHXTNUDBIT-GFCCVEGCSA-N 0 3 305.805 3.948 20 10 DHCDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779165601 1028585605 /nfs/dbraw/zinc/58/56/05/1028585605.db2.gz JRDFTPJMDYHKIT-IBGZPJMESA-N 0 3 311.425 3.795 20 10 DHCDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779165601 1028585616 /nfs/dbraw/zinc/58/56/16/1028585616.db2.gz JRDFTPJMDYHKIT-IBGZPJMESA-N 0 3 311.425 3.795 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000815642953 1028589112 /nfs/dbraw/zinc/58/91/12/1028589112.db2.gz PHKUPWLRMKQOGL-GHMZBOCLSA-N 0 3 306.793 3.866 20 10 DHCDHN CC(C)(O)C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000779192229 1028672447 /nfs/dbraw/zinc/67/24/47/1028672447.db2.gz MGVZMOQKHMFVMZ-UHFFFAOYSA-N 0 3 311.425 3.795 20 10 DHCDHN CC(C)(O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000779192229 1028672453 /nfs/dbraw/zinc/67/24/53/1028672453.db2.gz MGVZMOQKHMFVMZ-UHFFFAOYSA-N 0 3 311.425 3.795 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000371410876 1028704063 /nfs/dbraw/zinc/70/40/63/1028704063.db2.gz IAMFXYCKSCJMHR-INIZCTEOSA-N 0 3 319.408 3.715 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000371410876 1028704082 /nfs/dbraw/zinc/70/40/82/1028704082.db2.gz IAMFXYCKSCJMHR-INIZCTEOSA-N 0 3 319.408 3.715 20 10 DHCDHN [O-]c1c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)ccc2ccccc21 ZINC000816494481 1028899039 /nfs/dbraw/zinc/89/90/39/1028899039.db2.gz NFIFDHBPFFAOBZ-IBGZPJMESA-N 0 3 324.468 3.996 20 10 DHCDHN [O-]c1c(C[N@H+]2CCC[C@H]2CN2CCCCC2)ccc2ccccc21 ZINC000816494481 1028899057 /nfs/dbraw/zinc/89/90/57/1028899057.db2.gz NFIFDHBPFFAOBZ-IBGZPJMESA-N 0 3 324.468 3.996 20 10 DHCDHN [O-]c1c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)ccc2ccccc21 ZINC000816503544 1028908485 /nfs/dbraw/zinc/90/84/85/1028908485.db2.gz CAHFEZUCNZWDSR-GOSISDBHSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1c(C[N@H+]2CC[C@@H](N3CCCCC3)C2)ccc2ccccc21 ZINC000816503544 1028908491 /nfs/dbraw/zinc/90/84/91/1028908491.db2.gz CAHFEZUCNZWDSR-GOSISDBHSA-N 0 3 310.441 3.606 20 10 DHCDHN CCCN(Cc1ccccc1O)Cc1cc(OC)ccc1F ZINC000816499699 1028909176 /nfs/dbraw/zinc/90/91/76/1028909176.db2.gz YFGAIDBFMSSBKH-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN CC(C)[NH+](CCCNCc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816555936 1028942207 /nfs/dbraw/zinc/94/22/07/1028942207.db2.gz URGFTYFIMXFOJA-UHFFFAOYSA-N 0 3 316.848 3.783 20 10 DHCDHN CC[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(C)cc1[O-] ZINC000373564697 1029079720 /nfs/dbraw/zinc/07/97/20/1029079720.db2.gz UXZIFVWPLGCNFV-KRWDZBQOSA-N 0 3 313.445 3.517 20 10 DHCDHN CC[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccccc1[O-] ZINC000155247660 1029210058 /nfs/dbraw/zinc/21/00/58/1029210058.db2.gz CMQVRHRSOMHHCM-MJGOQNOKSA-N 0 3 312.457 3.606 20 10 DHCDHN CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000155375937 1029229611 /nfs/dbraw/zinc/22/96/11/1029229611.db2.gz LPRCBLRCVDIXJY-KRWDZBQOSA-N 0 3 315.413 3.693 20 10 DHCDHN Cc1cc(N)cc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000817980799 1029316214 /nfs/dbraw/zinc/31/62/14/1029316214.db2.gz NUAMKLSWFWQDEU-ABAIWWIYSA-N 0 3 300.377 3.760 20 10 DHCDHN Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000817980804 1029317755 /nfs/dbraw/zinc/31/77/55/1029317755.db2.gz NUAMKLSWFWQDEU-IAQYHMDHSA-N 0 3 300.377 3.760 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cncn2C(C)C)cc1 ZINC000818179618 1029348200 /nfs/dbraw/zinc/34/82/00/1029348200.db2.gz CYZFBFUUDPYJOA-UHFFFAOYSA-N 0 3 300.450 3.600 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccccc1[O-] ZINC000156065704 1029368355 /nfs/dbraw/zinc/36/83/55/1029368355.db2.gz OIRAXDCWECLESV-KBXCAEBGSA-N 0 3 315.413 3.909 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccccc1[O-] ZINC000156065591 1029370655 /nfs/dbraw/zinc/37/06/55/1029370655.db2.gz OIRAXDCWECLESV-KSSFIOAISA-N 0 3 315.413 3.909 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1[O-] ZINC000374675620 1029430483 /nfs/dbraw/zinc/43/04/83/1029430483.db2.gz FGEJFVDCCAFJEG-CQSZACIVSA-N 0 3 316.470 3.769 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1)c1ccccc1[O-] ZINC000374711565 1029442078 /nfs/dbraw/zinc/44/20/78/1029442078.db2.gz RKMNOXSFHVTKSP-SUNYJGFJSA-N 0 3 316.470 3.797 20 10 DHCDHN COC[C@@H](NCc1cc(OC)ccc1O)c1cccc(Cl)c1 ZINC000290206242 1029947059 /nfs/dbraw/zinc/94/70/59/1029947059.db2.gz QBNCHAXKHQWFSN-MRXNPFEDSA-N 0 3 321.804 3.532 20 10 DHCDHN Cc1ncc([C@H](C)NC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000865703104 1029982952 /nfs/dbraw/zinc/98/29/52/1029982952.db2.gz ULQXJRHXOJCESN-GFUIURDCSA-N 0 3 301.459 3.882 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccnn1C1CCC1 ZINC000924869620 1030212714 /nfs/dbraw/zinc/21/27/14/1030212714.db2.gz HZWHLWDCNQUXRB-OAHLLOKOSA-N 0 3 324.472 3.841 20 10 DHCDHN Cc1cnccc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000823836264 1030408816 /nfs/dbraw/zinc/40/88/16/1030408816.db2.gz CDOBECSKYNCCNU-UHFFFAOYSA-N 0 3 309.457 3.916 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000780780659 1030453281 /nfs/dbraw/zinc/45/32/81/1030453281.db2.gz YGYMHVAAOCQXOP-UHFFFAOYSA-N 0 3 309.409 3.999 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000780780659 1030453290 /nfs/dbraw/zinc/45/32/90/1030453290.db2.gz YGYMHVAAOCQXOP-UHFFFAOYSA-N 0 3 309.409 3.999 20 10 DHCDHN CCOc1ccc(O)c(CNC(C)(C)c2ccccc2F)c1 ZINC000291690873 1030600182 /nfs/dbraw/zinc/60/01/82/1030600182.db2.gz JAPZFTXXFPYKTR-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1[O-] ZINC000824942077 1030677420 /nfs/dbraw/zinc/67/74/20/1030677420.db2.gz VROLLFJJLLXLGW-HOCLYGCPSA-N 0 3 307.821 3.675 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1[O-] ZINC000824942077 1030677426 /nfs/dbraw/zinc/67/74/26/1030677426.db2.gz VROLLFJJLLXLGW-HOCLYGCPSA-N 0 3 307.821 3.675 20 10 DHCDHN COc1cc(CNCc2ccc3c(c2)CCO3)ccc1Cl ZINC000825145138 1030733467 /nfs/dbraw/zinc/73/34/67/1030733467.db2.gz WCBFXPVWRLOPON-UHFFFAOYSA-N 0 3 303.789 3.573 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cnc3ccccc3c1)CC2 ZINC000926922719 1030996903 /nfs/dbraw/zinc/99/69/03/1030996903.db2.gz KKUPJZPMGNITIG-GOSISDBHSA-N 0 3 304.393 3.760 20 10 DHCDHN CC[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccccc1[O-] ZINC000926932077 1031002127 /nfs/dbraw/zinc/00/21/27/1031002127.db2.gz SXGTYBJIMWKTAO-CYBMUJFWSA-N 0 3 302.443 3.621 20 10 DHCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)n1 ZINC000927054404 1031052699 /nfs/dbraw/zinc/05/26/99/1031052699.db2.gz XZCOJIIRTGRTQH-BFHYXJOUSA-N 0 3 315.417 3.633 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(C)c1OC ZINC000927123813 1031105044 /nfs/dbraw/zinc/10/50/44/1031105044.db2.gz BTFQWEUPIFHIMG-LBPRGKRZSA-N 0 3 319.376 3.708 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171135792 1031226235 /nfs/dbraw/zinc/22/62/35/1031226235.db2.gz OYFPHKNXWSOJKL-QGZVFWFLSA-N 0 3 313.828 3.961 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171135792 1031226244 /nfs/dbraw/zinc/22/62/44/1031226244.db2.gz OYFPHKNXWSOJKL-QGZVFWFLSA-N 0 3 313.828 3.961 20 10 DHCDHN Cc1cc(C)c([C@@H](C)NCc2cn3ccsc3n2)c(O)c1 ZINC000293248259 1031398144 /nfs/dbraw/zinc/39/81/44/1031398144.db2.gz BKHKSNZFZBTOPR-GFCCVEGCSA-N 0 3 301.415 3.569 20 10 DHCDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000873009361 1031690914 /nfs/dbraw/zinc/69/09/14/1031690914.db2.gz KDSGTVNAFYDMHQ-UHFFFAOYSA-N 0 3 313.401 3.567 20 10 DHCDHN CCCOc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1C ZINC000873012677 1031693699 /nfs/dbraw/zinc/69/36/99/1031693699.db2.gz MWSNYLLDKHALAZ-KRWDZBQOSA-N 0 3 313.445 3.685 20 10 DHCDHN C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cc(F)ccc1[O-] ZINC000873238403 1031770577 /nfs/dbraw/zinc/77/05/77/1031770577.db2.gz ZNSQXANGFRYNDM-OLZOCXBDSA-N 0 3 300.377 3.781 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1[O-] ZINC000846035902 1031827577 /nfs/dbraw/zinc/82/75/77/1031827577.db2.gz VDUFFSVDUMINET-UONOGXRCSA-N 0 3 322.207 3.849 20 10 DHCDHN COc1cc(Cl)cc(CN2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846104839 1031874750 /nfs/dbraw/zinc/87/47/50/1031874750.db2.gz MRBKFNMVPGQJGS-AWEZNQCLSA-N 0 3 317.763 3.675 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccc([C@H]3C[C@H]3C)o2)c1O ZINC000846141743 1031899626 /nfs/dbraw/zinc/89/96/26/1031899626.db2.gz RZTHQVMUXOIAJL-XUJVJEKNSA-N 0 3 301.386 3.968 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H]2CSc3ccccc32)c1O ZINC000846142754 1031903467 /nfs/dbraw/zinc/90/34/67/1031903467.db2.gz CHGHAKXRQMXECN-RISCZKNCSA-N 0 3 301.411 3.898 20 10 DHCDHN Cc1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c([O-])c1 ZINC000877538980 1033342635 /nfs/dbraw/zinc/34/26/35/1033342635.db2.gz HVTSTLZQSVLAKE-FQEVSTJZSA-N 0 3 323.436 3.884 20 10 DHCDHN Cc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000877546266 1033350135 /nfs/dbraw/zinc/35/01/35/1033350135.db2.gz PZSIHPKZFNSVBA-UHFFFAOYSA-N 0 3 300.358 3.634 20 10 DHCDHN CCOCc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000877757367 1033434645 /nfs/dbraw/zinc/43/46/45/1033434645.db2.gz UCXYTKZMZRBPGP-AWEZNQCLSA-N 0 3 315.413 3.788 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(-c2cnn(C)c2)c1 ZINC000877758247 1033434794 /nfs/dbraw/zinc/43/47/94/1033434794.db2.gz PDBWRXRZDOADLY-HNNXBMFYSA-N 0 3 321.424 3.952 20 10 DHCDHN COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1O ZINC000877758208 1033434959 /nfs/dbraw/zinc/43/49/59/1033434959.db2.gz NBEVRPCMBJNFAY-KBPBESRZSA-N 0 3 315.413 3.778 20 10 DHCDHN C[C@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccccc1[O-] ZINC000877758396 1033438134 /nfs/dbraw/zinc/43/81/34/1033438134.db2.gz YBMFCAUAYDHIQQ-INIZCTEOSA-N 0 3 321.424 3.682 20 10 DHCDHN C[C@@]1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCS1 ZINC000862212086 1033781669 /nfs/dbraw/zinc/78/16/69/1033781669.db2.gz GMNYWQMXVDUDSV-AEFFLSMTSA-N 0 3 321.486 3.659 20 10 DHCDHN C[C@@]1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCS1 ZINC000862212086 1033781683 /nfs/dbraw/zinc/78/16/83/1033781683.db2.gz GMNYWQMXVDUDSV-AEFFLSMTSA-N 0 3 321.486 3.659 20 10 DHCDHN COc1cc(Cl)cc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862442027 1033856970 /nfs/dbraw/zinc/85/69/70/1033856970.db2.gz GDIJTWZYQFOJLC-AOOOYVTPSA-N 0 3 319.779 3.777 20 10 DHCDHN Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccccc3[O-])c2cc1C ZINC000879651185 1034075242 /nfs/dbraw/zinc/07/52/42/1034075242.db2.gz LPZMTLCKJMVVKV-AWEZNQCLSA-N 0 3 323.392 3.966 20 10 DHCDHN CCc1onc(C)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000927140594 1034159338 /nfs/dbraw/zinc/15/93/38/1034159338.db2.gz QZUSKDLCHBYHFZ-LBPRGKRZSA-N 0 3 314.429 3.981 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OC)c(O)c2)cc1 ZINC000178408352 1034234848 /nfs/dbraw/zinc/23/48/48/1034234848.db2.gz ZTRDTVZAJCKNEY-CQSZACIVSA-N 0 3 314.429 3.708 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000183371985 1034380148 /nfs/dbraw/zinc/38/01/48/1034380148.db2.gz YZTKQWFAZJZKGB-ZBFHGGJFSA-N 0 3 316.470 3.941 20 10 DHCDHN CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183394470 1034382395 /nfs/dbraw/zinc/38/23/95/1034382395.db2.gz VQLBYAAVNJXYAO-CQSZACIVSA-N 0 3 312.413 3.838 20 10 DHCDHN COc1ccc(COCCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183485995 1034389704 /nfs/dbraw/zinc/38/97/04/1034389704.db2.gz LULHSBMXSCJOSM-OAHLLOKOSA-N 0 3 315.413 3.658 20 10 DHCDHN COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183551634 1034400122 /nfs/dbraw/zinc/40/01/22/1034400122.db2.gz DRVMHTKGBQBYRY-HNNXBMFYSA-N 0 3 315.413 3.577 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccccc1F)c1ccc(C)cc1[O-] ZINC000794795117 1034465850 /nfs/dbraw/zinc/46/58/50/1034465850.db2.gz OHXULSNDYUQLCY-INIZCTEOSA-N 0 3 303.377 3.959 20 10 DHCDHN CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794800331 1034469760 /nfs/dbraw/zinc/46/97/60/1034469760.db2.gz CPYNWMFWGMVXDN-HNNXBMFYSA-N 0 3 307.434 3.863 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794797963 1034470660 /nfs/dbraw/zinc/47/06/60/1034470660.db2.gz RMYMIAJTEJIMFV-QZTJIDSGSA-N 0 3 304.478 3.862 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794794326 1034474096 /nfs/dbraw/zinc/47/40/96/1034474096.db2.gz LWUSTEPWQNWBHI-GOEBONIOSA-N 0 3 313.397 3.581 20 10 DHCDHN CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccc(C)cc1[O-] ZINC000794805087 1034479231 /nfs/dbraw/zinc/47/92/31/1034479231.db2.gz OZCUMSXLEZSWBH-HNNXBMFYSA-N 0 3 317.433 3.881 20 10 DHCDHN CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(C)cc1[O-] ZINC000794804868 1034480381 /nfs/dbraw/zinc/48/03/81/1034480381.db2.gz VSSKWQKEWCCWNC-GOSISDBHSA-N 0 3 321.461 3.575 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794809230 1034518368 /nfs/dbraw/zinc/51/83/68/1034518368.db2.gz DNRFCVPVPGHATI-ROUUACIJSA-N 0 3 324.424 3.547 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1[O-] ZINC000794811677 1034520267 /nfs/dbraw/zinc/52/02/67/1034520267.db2.gz XQPXESOGGSXIBL-QGZVFWFLSA-N 0 3 314.385 3.892 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1[O-] ZINC000794811676 1034520996 /nfs/dbraw/zinc/52/09/96/1034520996.db2.gz XQPXESOGGSXIBL-KRWDZBQOSA-N 0 3 314.385 3.892 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000185152026 1034532971 /nfs/dbraw/zinc/53/29/71/1034532971.db2.gz VINJAVLYIYDRFB-CQSZACIVSA-N 0 3 309.413 3.860 20 10 DHCDHN CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817142 1034534000 /nfs/dbraw/zinc/53/40/00/1034534000.db2.gz PKLNUVMHKGSZBY-MJGOQNOKSA-N 0 3 317.404 3.788 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794824627 1034535023 /nfs/dbraw/zinc/53/50/23/1034535023.db2.gz KSKWEBYEFCFUIE-DZGCQCFKSA-N 0 3 322.449 3.655 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccccc1[O-] ZINC000185210345 1034536470 /nfs/dbraw/zinc/53/64/70/1034536470.db2.gz NVYWVBSXNCBOFY-SFHVURJKSA-N 0 3 312.413 3.634 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccccc1[O-] ZINC000185211848 1034536561 /nfs/dbraw/zinc/53/65/61/1034536561.db2.gz SZEFGENZYVKPCU-QGZVFWFLSA-N 0 3 303.377 3.919 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccc(C)cc1[O-] ZINC000794817608 1034538997 /nfs/dbraw/zinc/53/89/97/1034538997.db2.gz UJCGWNJVZIMIOS-IRXDYDNUSA-N 0 3 315.461 3.915 20 10 DHCDHN CCC[NH+](CCC)CCCNCc1c([O-])cc(C)cc1Cl ZINC001177060991 1035346192 /nfs/dbraw/zinc/34/61/92/1035346192.db2.gz GIFBEBMPKQBEIK-UHFFFAOYSA-N 0 3 312.885 3.956 20 10 DHCDHN CCN(C)c1ccc(CNC2(c3cccc(OC)c3)CC2)cc1 ZINC000773811434 1035472735 /nfs/dbraw/zinc/47/27/35/1035472735.db2.gz MMBZCTPAHZLGGY-UHFFFAOYSA-N 0 3 310.441 3.930 20 10 DHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](c1cnn(C)c1)C(C)C ZINC001179712749 1035494091 /nfs/dbraw/zinc/49/40/91/1035494091.db2.gz JMEKVFUUXKJDJK-LJQANCHMSA-N 0 3 310.445 3.707 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001181085938 1035823749 /nfs/dbraw/zinc/82/37/49/1035823749.db2.gz HZRSXKXDCWTJHU-SJLPKXTDSA-N 0 3 301.361 3.541 20 10 DHCDHN COc1ccccc1CN(C)Cc1cc(Cl)cc(C)c1O ZINC000775643452 1036163835 /nfs/dbraw/zinc/16/38/35/1036163835.db2.gz YGFLHWXUDDCINF-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(CN2Cc3ccccc3C3(CC3)C2)c(O)cc1C ZINC000774670839 1036658039 /nfs/dbraw/zinc/65/80/39/1036658039.db2.gz MQVWWHIGAYIDIZ-UHFFFAOYSA-N 0 3 309.409 3.757 20 10 DHCDHN C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccccc1[O-] ZINC001197005132 1036666939 /nfs/dbraw/zinc/66/69/39/1036666939.db2.gz YWEAJBXPKGTIST-LLVKDONJSA-N 0 3 309.768 3.914 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccccc1[O-] ZINC000155755837 1036848187 /nfs/dbraw/zinc/84/81/87/1036848187.db2.gz HPQXFFQGPCHVDF-QUCCMNQESA-N 0 3 311.425 3.657 20 10 DHCDHN Cc1nc2ccccn2c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834677 1036992409 /nfs/dbraw/zinc/99/24/09/1036992409.db2.gz CFSFNCFHHHSFKR-AWEZNQCLSA-N 0 3 308.429 3.560 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccc(O)c(F)c2)cc1F ZINC000152294003 1037028538 /nfs/dbraw/zinc/02/85/38/1037028538.db2.gz SFXYAIIWDIRBON-UHFFFAOYSA-N 0 3 320.383 3.806 20 10 DHCDHN COc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)ccn1 ZINC000762916849 1037064892 /nfs/dbraw/zinc/06/48/92/1037064892.db2.gz IWZJRVKRXXNYLA-UHFFFAOYSA-N 0 3 313.445 3.567 20 10 DHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000776001807 1037294489 /nfs/dbraw/zinc/29/44/89/1037294489.db2.gz BOJIDLZYHNUEFP-SJORKVTESA-N 0 3 311.425 3.992 20 10 DHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000776001807 1037294501 /nfs/dbraw/zinc/29/45/01/1037294501.db2.gz BOJIDLZYHNUEFP-SJORKVTESA-N 0 3 311.425 3.992 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1F ZINC000775134723 1037682330 /nfs/dbraw/zinc/68/23/30/1037682330.db2.gz DSIRYHLRYITJOI-GFCCVEGCSA-N 0 3 304.331 3.666 20 10 DHCDHN Cc1cccc2ncc(CN[C@@H](C)c3ccc(N(C)C)cc3)n21 ZINC000775363890 1038275061 /nfs/dbraw/zinc/27/50/61/1038275061.db2.gz NGCILRUCKMEESS-HNNXBMFYSA-N 0 3 308.429 3.560 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000775487599 1038557594 /nfs/dbraw/zinc/55/75/94/1038557594.db2.gz LJWPFDPZYWEJJK-MSOLQXFVSA-N 0 3 304.478 3.943 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cc(Cl)ccc1[O-] ZINC000775488565 1038562570 /nfs/dbraw/zinc/56/25/70/1038562570.db2.gz OMVPRLYDSPXHIM-ARFHVFGLSA-N 0 3 308.853 3.713 20 10 DHCDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000228793404 1041178427 /nfs/dbraw/zinc/17/84/27/1041178427.db2.gz OBXKQSABUGMOLL-DZGCQCFKSA-N 0 3 322.449 3.592 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000035628903 182783217 /nfs/dbraw/zinc/78/32/17/182783217.db2.gz MBZQRRLAHMYZAD-UKRRQHHQSA-N 0 3 304.459 3.716 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC000042879392 183316057 /nfs/dbraw/zinc/31/60/57/183316057.db2.gz HZBYASXDJZWBFQ-SNVBAGLBSA-N 0 3 305.761 3.625 20 10 DHCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000042879392 183316059 /nfs/dbraw/zinc/31/60/59/183316059.db2.gz HZBYASXDJZWBFQ-SNVBAGLBSA-N 0 3 305.761 3.625 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000272843579 130068752 /nfs/dbraw/zinc/06/87/52/130068752.db2.gz JWUKIAOHLVSULU-MEBBXXQBSA-N 0 3 309.768 3.569 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1C ZINC000273345790 130109297 /nfs/dbraw/zinc/10/92/97/130109297.db2.gz AQZXLYQFBYIQNJ-RLFYNMQTSA-N 0 3 321.486 3.714 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c([O-])c1 ZINC000273365941 130112396 /nfs/dbraw/zinc/11/23/96/130112396.db2.gz FCBVAXDDTKPGDU-CZUORRHYSA-N 0 3 304.459 3.716 20 10 DHCDHN Cc1nccn1CCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273399778 130117363 /nfs/dbraw/zinc/11/73/63/130117363.db2.gz MUZWCTBDKWFZOB-AWEZNQCLSA-N 0 3 313.445 3.517 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000273503431 130129119 /nfs/dbraw/zinc/12/91/19/130129119.db2.gz QNLIKTHCIUQVJF-GDZNZVCISA-N 0 3 307.434 3.645 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000273508678 130130872 /nfs/dbraw/zinc/13/08/72/130130872.db2.gz RINKMYXMYQZVSQ-OKHZJLECSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000273537032 130133542 /nfs/dbraw/zinc/13/35/42/130133542.db2.gz XQHRVAJHUJVBQK-CABCVRRESA-N 0 3 321.486 3.796 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c([O-])c1C ZINC000273558541 130136517 /nfs/dbraw/zinc/13/65/17/130136517.db2.gz HMVFTOZYMAXFMQ-JQWIXIFHSA-N 0 3 305.340 3.627 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273606717 130143220 /nfs/dbraw/zinc/14/32/20/130143220.db2.gz UIDUZWWGFAHUNI-CKFHNAJUSA-N 0 3 317.404 3.921 20 10 DHCDHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273620011 130145664 /nfs/dbraw/zinc/14/56/64/130145664.db2.gz YTDNLUGIOWKLEY-NXLNFEJXSA-N 0 3 323.502 3.739 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000275344193 130308120 /nfs/dbraw/zinc/30/81/20/130308120.db2.gz PIDDKTUKXBDDDX-NSHDSACASA-N 0 3 323.234 3.652 20 10 DHCDHN CCCN(Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000284218092 131060574 /nfs/dbraw/zinc/06/05/74/131060574.db2.gz CQCANCISNIWBDI-UHFFFAOYSA-N 0 3 313.445 3.892 20 10 DHCDHN COC[C@@H](NCc1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000288653967 131333666 /nfs/dbraw/zinc/33/36/66/131333666.db2.gz VGIMTJCSDMPZIB-OAHLLOKOSA-N 0 3 321.804 3.532 20 10 DHCDHN COc1cccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1[O-] ZINC000289499320 131391595 /nfs/dbraw/zinc/39/15/95/131391595.db2.gz SQHIVODZIAZHHX-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN COc1cccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c1[O-] ZINC000289499320 131391596 /nfs/dbraw/zinc/39/15/96/131391596.db2.gz SQHIVODZIAZHHX-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN CCc1nc(C)c(CN[C@@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000292008399 131616649 /nfs/dbraw/zinc/61/66/49/131616649.db2.gz YKEKKGIVMAPJMX-LBPRGKRZSA-N 0 3 314.429 3.981 20 10 DHCDHN OCC1([C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)CCC1 ZINC000293846331 335115175 /nfs/dbraw/zinc/11/51/75/335115175.db2.gz HMFHEUOAIRJDIN-HXUWFJFHSA-N 0 3 323.436 3.615 20 10 DHCDHN Cc1cc(CN[C@@H](CO)c2ccc(Cl)cc2)ccc1N(C)C ZINC000294609136 335126493 /nfs/dbraw/zinc/12/64/93/335126493.db2.gz OBSKCFHHQYIAQB-KRWDZBQOSA-N 0 3 318.848 3.538 20 10 DHCDHN C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185634397 333210997 /nfs/dbraw/zinc/21/09/97/333210997.db2.gz BWZWCPMYGZEJKZ-AWEZNQCLSA-N 0 3 320.452 3.979 20 10 DHCDHN C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185634397 333210999 /nfs/dbraw/zinc/21/09/99/333210999.db2.gz BWZWCPMYGZEJKZ-AWEZNQCLSA-N 0 3 320.452 3.979 20 10 DHCDHN CN1CCCc2cc(CNCc3ccc(C(C)(C)O)cc3)ccc21 ZINC000295435545 335134920 /nfs/dbraw/zinc/13/49/20/335134920.db2.gz OKEVSHVVSYNAHS-UHFFFAOYSA-N 0 3 324.468 3.586 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c([O-])c1 ZINC000184999352 333368538 /nfs/dbraw/zinc/36/85/38/333368538.db2.gz WUOYNUYLJGLJRT-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN COc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295907224 335138355 /nfs/dbraw/zinc/13/83/55/335138355.db2.gz DBUYGDRDORNDMZ-KRWDZBQOSA-N 0 3 319.470 3.915 20 10 DHCDHN COc1cc([O-])c(C[NH2+]CC[C@@H](C)c2ccccc2)cc1OC ZINC000271913616 334028758 /nfs/dbraw/zinc/02/87/58/334028758.db2.gz YNCNGCBZBCTIDR-CQSZACIVSA-N 0 3 315.413 3.693 20 10 DHCDHN Cc1cccc2oc(CC[NH2+][C@@H](C)c3cc(F)ccc3[O-])nc21 ZINC000273466023 334047482 /nfs/dbraw/zinc/04/74/82/334047482.db2.gz DSBODTMCBUQDRK-LBPRGKRZSA-N 0 3 314.360 3.874 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000282296646 334132982 /nfs/dbraw/zinc/13/29/82/334132982.db2.gz MAOVJYJZANNERZ-CYBMUJFWSA-N 0 3 310.397 3.775 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000368795966 336852991 /nfs/dbraw/zinc/85/29/91/336852991.db2.gz HYLZKQHSVNZTTA-WMZOPIPTSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000372595977 336935299 /nfs/dbraw/zinc/93/52/99/336935299.db2.gz RJMKLJCHPCEQHX-OAHLLOKOSA-N 0 3 315.417 3.588 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000391359407 336957469 /nfs/dbraw/zinc/95/74/69/336957469.db2.gz WIRGXMUINZBCAY-NWDGAFQWSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 ZINC000373893234 336976499 /nfs/dbraw/zinc/97/64/99/336976499.db2.gz XBDJATZALKBALY-YGUOUDRMSA-N 0 3 319.351 3.715 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000377398068 337051824 /nfs/dbraw/zinc/05/18/24/337051824.db2.gz LLDPSXSRFFMCJA-ZMZPIMSZSA-N 0 3 317.360 3.542 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000377624213 337056726 /nfs/dbraw/zinc/05/67/26/337056726.db2.gz KLRJKGFPUHMXEH-DEYYWGMASA-N 0 3 312.413 3.940 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000377624213 337056727 /nfs/dbraw/zinc/05/67/27/337056727.db2.gz KLRJKGFPUHMXEH-DEYYWGMASA-N 0 3 312.413 3.940 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377693880 337058751 /nfs/dbraw/zinc/05/87/51/337058751.db2.gz DCTUSPRLCRQHQN-BHYGNILZSA-N 0 3 317.454 3.613 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377693880 337058752 /nfs/dbraw/zinc/05/87/52/337058752.db2.gz DCTUSPRLCRQHQN-BHYGNILZSA-N 0 3 317.454 3.613 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000179556279 337170256 /nfs/dbraw/zinc/17/02/56/337170256.db2.gz KBAMQOUQGQNLDH-HNNXBMFYSA-N 0 3 308.381 3.913 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000179556279 337170257 /nfs/dbraw/zinc/17/02/57/337170257.db2.gz KBAMQOUQGQNLDH-HNNXBMFYSA-N 0 3 308.381 3.913 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000181531376 337182940 /nfs/dbraw/zinc/18/29/40/337182940.db2.gz SONRIESIERCUQU-UHFFFAOYSA-N 0 3 315.388 3.713 20 10 DHCDHN C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1[O-] ZINC000183553308 337192167 /nfs/dbraw/zinc/19/21/67/337192167.db2.gz WWWOETPIIQMRLP-ZDUSSCGKSA-N 0 3 302.443 3.773 20 10 DHCDHN C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1cc(F)ccc1[O-] ZINC000185693179 337250251 /nfs/dbraw/zinc/25/02/51/337250251.db2.gz VTYMRMQFMMMUJF-LBPRGKRZSA-N 0 3 320.433 3.912 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccc(C)cc1[O-] ZINC000527960568 337780018 /nfs/dbraw/zinc/78/00/18/337780018.db2.gz CDYUSKSLBSVUSO-QGZVFWFLSA-N 0 3 309.413 3.828 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295923588 341715556 /nfs/dbraw/zinc/71/55/56/341715556.db2.gz JXKLWUGUKSRILG-MLGOLLRUSA-N 0 3 313.397 3.748 20 10 DHCDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000181921341 519733831 /nfs/dbraw/zinc/73/38/31/519733831.db2.gz HYGNCGDTWKYKLA-AWEZNQCLSA-N 0 3 311.429 3.562 20 10 DHCDHN CCOc1cccc(CNCc2ccnc(SCC)c2)c1O ZINC000189599697 521367225 /nfs/dbraw/zinc/36/72/25/521367225.db2.gz FNJXLSDRMKJNME-UHFFFAOYSA-N 0 3 318.442 3.588 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccccc1[O-] ZINC000155187385 522648205 /nfs/dbraw/zinc/64/82/05/522648205.db2.gz WEPMDKXNWWIALK-INIZCTEOSA-N 0 3 300.402 3.815 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000155865196 522694671 /nfs/dbraw/zinc/69/46/71/522694671.db2.gz FQUJIFFMWYXOOK-IWEFOYFVSA-N 0 3 303.377 3.694 20 10 DHCDHN CN(Cc1ccnc(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000157252141 523451898 /nfs/dbraw/zinc/45/18/98/523451898.db2.gz SZAMIVMDGGIJNG-UHFFFAOYSA-N 0 3 323.371 3.620 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1C ZINC000156543102 525315978 /nfs/dbraw/zinc/31/59/78/525315978.db2.gz QSBJNYJWPVMFPM-AWEZNQCLSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1C ZINC000156543102 525315987 /nfs/dbraw/zinc/31/59/87/525315987.db2.gz QSBJNYJWPVMFPM-AWEZNQCLSA-N 0 3 302.443 3.845 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000157747014 525685886 /nfs/dbraw/zinc/68/58/86/525685886.db2.gz ZPUQMEWBMFHFMB-VOWSPCBNSA-N 0 3 315.457 3.879 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183645313 525686352 /nfs/dbraw/zinc/68/63/52/525686352.db2.gz ZXMKSIFNKLWKRO-DPZKZMLUSA-N 0 3 319.351 3.851 20 10 DHCDHN C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000266159547 525751653 /nfs/dbraw/zinc/75/16/53/525751653.db2.gz NELKVUUVXVGMSN-OAHLLOKOSA-N 0 3 313.441 3.946 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000185468731 525935238 /nfs/dbraw/zinc/93/52/38/525935238.db2.gz HLSWHSGVORLDGQ-LXIYXOSZSA-N 0 3 303.377 3.612 20 10 DHCDHN COc1cccc(CNCc2cccc(CSC)c2)c1O ZINC000189480683 526025221 /nfs/dbraw/zinc/02/52/21/526025221.db2.gz MQWOBLWLSSGPLD-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1cccc(C[NH2+]Cc2cccc(CSC)c2)c1[O-] ZINC000189480683 526025232 /nfs/dbraw/zinc/02/52/32/526025232.db2.gz MQWOBLWLSSGPLD-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN Cc1nc(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)no1 ZINC000156528733 526782508 /nfs/dbraw/zinc/78/25/08/526782508.db2.gz XTWPFCVHRWPDHT-UHFFFAOYSA-N 0 3 323.396 3.616 20 10 DHCDHN Cc1nc(CN[C@@H](C)c2ccc(C)c(C)c2O)c2n1CCCC2 ZINC000364902934 526890990 /nfs/dbraw/zinc/89/09/90/526890990.db2.gz DSUBVBARXRUGQV-AWEZNQCLSA-N 0 3 313.445 3.701 20 10 DHCDHN COCCCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000287342714 536618920 /nfs/dbraw/zinc/61/89/20/536618920.db2.gz GLIRREZACROEBG-OAHLLOKOSA-N 0 3 315.413 3.658 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cc1O ZINC000283691600 536897121 /nfs/dbraw/zinc/89/71/21/536897121.db2.gz AHFUJRYMKGZCHB-ZDUSSCGKSA-N 0 3 301.386 3.574 20 10 DHCDHN CCCOc1ncccc1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000155314833 1013355109 /nfs/dbraw/zinc/35/51/09/1013355109.db2.gz YNLALQPGRBVTTL-INIZCTEOSA-N 0 3 300.402 3.817 20 10 DHCDHN CCCOc1ncccc1CN[C@@H](CC)c1ccccc1O ZINC000155314833 1013355118 /nfs/dbraw/zinc/35/51/18/1013355118.db2.gz YNLALQPGRBVTTL-INIZCTEOSA-N 0 3 300.402 3.817 20 10 DHCDHN CCSc1cc(CNCc2cc(C)cc(OC)c2O)ccn1 ZINC000894501205 1013397253 /nfs/dbraw/zinc/39/72/53/1013397253.db2.gz VAZQHEAETOCAPK-UHFFFAOYSA-N 0 3 318.442 3.506 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000155410609 1013462635 /nfs/dbraw/zinc/46/26/35/1013462635.db2.gz CWCJTJKIHGCTGN-PEBXRYMYSA-N 0 3 317.454 3.592 20 10 DHCDHN CC[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000796675374 1013935077 /nfs/dbraw/zinc/93/50/77/1013935077.db2.gz NSBONVLRJQIRBS-QGZVFWFLSA-N 0 3 308.441 3.694 20 10 DHCDHN Cn1cncc1CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000846803723 1032088006 /nfs/dbraw/zinc/08/80/06/1032088006.db2.gz GIDWNWXGEFRPOE-UHFFFAOYSA-N 0 3 313.445 3.503 20 10 DHCDHN Cn1cncc1CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000846803723 1032088019 /nfs/dbraw/zinc/08/80/19/1032088019.db2.gz GIDWNWXGEFRPOE-UHFFFAOYSA-N 0 3 313.445 3.503 20 10 DHCDHN C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1[O-] ZINC000895850954 1015333479 /nfs/dbraw/zinc/33/34/79/1015333479.db2.gz HDZXAAGKTUOPCB-VIFPVBQESA-N 0 3 316.348 3.804 20 10 DHCDHN COc1ccc(CN([C@@H](C)c2ccco2)C2CC2)c(O)c1OC ZINC000891802114 1015636472 /nfs/dbraw/zinc/63/64/72/1015636472.db2.gz NXOFKYLCHZSPIB-LBPRGKRZSA-N 0 3 317.385 3.728 20 10 DHCDHN COc1cc(F)cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090972282 1015704106 /nfs/dbraw/zinc/70/41/06/1015704106.db2.gz DAGJUFABGHLWBI-ZDUSSCGKSA-N 0 3 302.393 3.751 20 10 DHCDHN COc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)c(O)c1OC ZINC000892195326 1016397355 /nfs/dbraw/zinc/39/73/55/1016397355.db2.gz PQBLHSHROFIZLJ-DYVFJYSZSA-N 0 3 313.397 3.602 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000184968030 1016468576 /nfs/dbraw/zinc/46/85/76/1016468576.db2.gz CTMZPONAVIWFSS-INIZCTEOSA-N 0 3 321.424 3.780 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000184998707 1016490741 /nfs/dbraw/zinc/49/07/41/1016490741.db2.gz YRARBMVJBWRLHP-DLBZAZTESA-N 0 3 310.441 3.878 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c([O-])c1 ZINC000185080024 1016546902 /nfs/dbraw/zinc/54/69/02/1016546902.db2.gz CICFSMUKIDNVMH-RDTXWAMCSA-N 0 3 316.420 3.793 20 10 DHCDHN C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000840775493 1016955231 /nfs/dbraw/zinc/95/52/31/1016955231.db2.gz PWWPZTORNKUMPF-ZIAGYGMSSA-N 0 3 302.393 3.988 20 10 DHCDHN COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185574556 1017025021 /nfs/dbraw/zinc/02/50/21/1017025021.db2.gz BRVVUOCVTYMBIN-GJZGRUSLSA-N 0 3 315.413 3.827 20 10 DHCDHN COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185578895 1017028434 /nfs/dbraw/zinc/02/84/34/1017028434.db2.gz IVABUWGZUMLYNV-OLZOCXBDSA-N 0 3 319.376 3.658 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCCn2cnc3ccccc32)c([O-])c1 ZINC000192931233 1017228410 /nfs/dbraw/zinc/22/84/10/1017228410.db2.gz GAJZLKQJRTZZNJ-OAHLLOKOSA-N 0 3 309.413 3.791 20 10 DHCDHN CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1c(C)nn(C)c1C ZINC000772996892 1032480659 /nfs/dbraw/zinc/48/06/59/1032480659.db2.gz IFRXHZDOYNBNHI-QGZVFWFLSA-N 0 3 314.477 3.652 20 10 DHCDHN COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185744657 1017144354 /nfs/dbraw/zinc/14/43/54/1017144354.db2.gz KCQPWDWWRKSJIO-MEDUHNTESA-N 0 3 301.361 3.878 20 10 DHCDHN CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(F)cc1[O-] ZINC000840892404 1017415524 /nfs/dbraw/zinc/41/55/24/1017415524.db2.gz ZPTWUFNMWCJIOG-LBPRGKRZSA-N 0 3 307.394 3.501 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c([O-])c1 ZINC000186033830 1017650004 /nfs/dbraw/zinc/65/00/04/1017650004.db2.gz ZNMKVENZJFWLNH-CYBMUJFWSA-N 0 3 316.470 3.929 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926917248 1032749565 /nfs/dbraw/zinc/74/95/65/1032749565.db2.gz SZZGXJYQIVALIJ-DRCTWCGVSA-N 0 3 321.314 3.682 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)c1[O-] ZINC000842892301 1018832814 /nfs/dbraw/zinc/83/28/14/1018832814.db2.gz AYRKPRZSCRAXMX-GFCCVEGCSA-N 0 3 305.805 3.697 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000858299192 1032835730 /nfs/dbraw/zinc/83/57/30/1032835730.db2.gz QPWUWUJZTFFSER-UYAOXDASSA-N 0 3 309.409 3.716 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccccc1[O-] ZINC000309647216 1019922621 /nfs/dbraw/zinc/92/26/21/1019922621.db2.gz DDHQLKZRCXHFQF-BXWFABGCSA-N 0 3 310.441 3.706 20 10 DHCDHN CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203556501 1020093592 /nfs/dbraw/zinc/09/35/92/1020093592.db2.gz RAFJPMIHFPKOPB-UHFFFAOYSA-N 0 3 309.409 3.515 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccccc2Cl)c(O)c1OC ZINC000892430182 1020282217 /nfs/dbraw/zinc/28/22/17/1020282217.db2.gz ADQHFQNJQUCGAK-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000765819664 1020392610 /nfs/dbraw/zinc/39/26/10/1020392610.db2.gz VOHQHAMSAMMTMB-ILHHOCCXSA-N 0 3 305.393 3.627 20 10 DHCDHN COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000179554057 1020409131 /nfs/dbraw/zinc/40/91/31/1020409131.db2.gz YTTWYBZWEAYYKD-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000179554057 1020409137 /nfs/dbraw/zinc/40/91/37/1020409137.db2.gz YTTWYBZWEAYYKD-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000858490191 1032916248 /nfs/dbraw/zinc/91/62/48/1032916248.db2.gz CTVWVHZYGQTULU-CZUORRHYSA-N 0 3 310.869 3.818 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044227 1020581541 /nfs/dbraw/zinc/58/15/41/1020581541.db2.gz OAVZHBLECBDQRM-LIRRHRJNSA-N 0 3 324.472 3.969 20 10 DHCDHN CCOc1ccc(CN[C@H]2CSc3ccccc32)c(O)c1 ZINC000735509115 1020741630 /nfs/dbraw/zinc/74/16/30/1020741630.db2.gz UZZSKVKLWVKTRF-HNNXBMFYSA-N 0 3 301.411 3.728 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2CSc3ccccc32)c([O-])c1 ZINC000735509115 1020741633 /nfs/dbraw/zinc/74/16/33/1020741633.db2.gz UZZSKVKLWVKTRF-HNNXBMFYSA-N 0 3 301.411 3.728 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCN1CCCCC1)C1CCCC1 ZINC000736946983 1020837533 /nfs/dbraw/zinc/83/75/33/1020837533.db2.gz ZGCCAITXLKGVHU-UHFFFAOYSA-N 0 3 302.462 3.623 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCN1CCCCC1)C1CCCC1 ZINC000736946983 1020837541 /nfs/dbraw/zinc/83/75/41/1020837541.db2.gz ZGCCAITXLKGVHU-UHFFFAOYSA-N 0 3 302.462 3.623 20 10 DHCDHN Cc1cc(CN[C@H]2CCCc3n[nH]cc32)c(C)n1-c1ccccc1 ZINC000858543093 1032938780 /nfs/dbraw/zinc/93/87/80/1032938780.db2.gz QAUOGFZUNBWYPG-IBGZPJMESA-N 0 3 320.440 3.984 20 10 DHCDHN CCOc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c([O-])c1 ZINC000740017772 1020926994 /nfs/dbraw/zinc/92/69/94/1020926994.db2.gz AIFIARAMUXREKE-UHFFFAOYSA-N 0 3 301.361 3.709 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000740859202 1020953930 /nfs/dbraw/zinc/95/39/30/1020953930.db2.gz JHRQIDJWSYWAEU-CHWSQXEVSA-N 0 3 313.397 3.562 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000740859202 1020953939 /nfs/dbraw/zinc/95/39/39/1020953939.db2.gz JHRQIDJWSYWAEU-CHWSQXEVSA-N 0 3 313.397 3.562 20 10 DHCDHN C[C@@H](NCc1ccc[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000858562052 1032947180 /nfs/dbraw/zinc/94/71/80/1032947180.db2.gz BGIBLHSZTPKZKS-OAHLLOKOSA-N 0 3 311.429 3.628 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000742372970 1021113572 /nfs/dbraw/zinc/11/35/72/1021113572.db2.gz ABYSIKFBNQVKJI-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1C ZINC000742375629 1021114173 /nfs/dbraw/zinc/11/41/73/1021114173.db2.gz SRFYMWWKYLFNRA-DNVCBOLYSA-N 0 3 310.441 3.632 20 10 DHCDHN CCC[C@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742709227 1021148994 /nfs/dbraw/zinc/14/89/94/1021148994.db2.gz AFBHBHFZQQMMCI-MRXNPFEDSA-N 0 3 313.441 3.948 20 10 DHCDHN C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1cc(F)ccc1[O-] ZINC000176981508 1021188231 /nfs/dbraw/zinc/18/82/31/1021188231.db2.gz WDXKLWWAENMACA-CYBMUJFWSA-N 0 3 313.376 3.622 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1[O-] ZINC000176985731 1021190938 /nfs/dbraw/zinc/19/09/38/1021190938.db2.gz MYMMWQISRJXXOH-WDEREUQCSA-N 0 3 304.321 3.851 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000176983575 1021191904 /nfs/dbraw/zinc/19/19/04/1021191904.db2.gz MYCAJWVNMCDFSX-NWDGAFQWSA-N 0 3 319.376 3.960 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000176985715 1021192539 /nfs/dbraw/zinc/19/25/39/1021192539.db2.gz MYMMWQISRJXXOH-MNOVXSKESA-N 0 3 304.321 3.851 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000104151742 1021236156 /nfs/dbraw/zinc/23/61/56/1021236156.db2.gz WISDLXGLOIKAPJ-AWEZNQCLSA-N 0 3 314.429 3.621 20 10 DHCDHN COc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1C ZINC000850394743 1021507483 /nfs/dbraw/zinc/50/74/83/1021507483.db2.gz BQVLHJMBHZWGKK-PMACEKPBSA-N 0 3 313.441 3.851 20 10 DHCDHN C[C@@H](O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420617 1021522159 /nfs/dbraw/zinc/52/21/59/1021522159.db2.gz PXYMFRILTRHXQJ-DYESRHJHSA-N 0 3 324.468 3.889 20 10 DHCDHN CC1CCN(c2ccc(CN[C@@H]3CCCn4nccc43)cc2)CC1 ZINC000850432617 1021528352 /nfs/dbraw/zinc/52/83/52/1021528352.db2.gz CLYPSIRHBFPVMC-LJQANCHMSA-N 0 3 324.472 3.744 20 10 DHCDHN CCc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489993 1021561513 /nfs/dbraw/zinc/56/15/13/1021561513.db2.gz ZLGRDPYLSLAQPD-HUUCEWRRSA-N 0 3 314.429 3.780 20 10 DHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488932 1021561586 /nfs/dbraw/zinc/56/15/86/1021561586.db2.gz PPZYMHBTCMMNTQ-GJZGRUSLSA-N 0 3 300.402 3.526 20 10 DHCDHN C[C@H](N[C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511034 1021567944 /nfs/dbraw/zinc/56/79/44/1021567944.db2.gz YRHGHSCRCBNEHY-KBPBESRZSA-N 0 3 306.837 3.546 20 10 DHCDHN CC[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(C)cc1[O-] ZINC000850533379 1021587126 /nfs/dbraw/zinc/58/71/26/1021587126.db2.gz WWFYCIVYFZEIEO-IMJJTQAJSA-N 0 3 311.372 3.556 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2c(C3CC3)cnn2C)cc1 ZINC000850535300 1021590584 /nfs/dbraw/zinc/59/05/84/1021590584.db2.gz UPXRHJQDJHQDBY-CQSZACIVSA-N 0 3 312.461 3.604 20 10 DHCDHN CC[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(C)cc1[O-] ZINC000850565976 1021609038 /nfs/dbraw/zinc/60/90/38/1021609038.db2.gz ITMFOTRGUZKPCO-CQSZACIVSA-N 0 3 313.388 3.682 20 10 DHCDHN C[C@H](NCc1cc(F)ccc1OC(F)F)c1ccccc1O ZINC000850569989 1021613174 /nfs/dbraw/zinc/61/31/74/1021613174.db2.gz PGEQKLFSSJFPHC-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1[O-] ZINC000850569989 1021613176 /nfs/dbraw/zinc/61/31/76/1021613176.db2.gz PGEQKLFSSJFPHC-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCc1cccs1)C[C@H]1CCCO1 ZINC000109761871 1021744751 /nfs/dbraw/zinc/74/47/51/1021744751.db2.gz ZKGONFFMDRHMQU-MRXNPFEDSA-N 0 3 317.454 3.677 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCc1cccs1)C[C@H]1CCCO1 ZINC000109761871 1021744766 /nfs/dbraw/zinc/74/47/66/1021744766.db2.gz ZKGONFFMDRHMQU-MRXNPFEDSA-N 0 3 317.454 3.677 20 10 DHCDHN CO[C@@H](CN(Cc1ccco1)Cc1ccccc1O)C1CCC1 ZINC000851840373 1022020031 /nfs/dbraw/zinc/02/00/31/1022020031.db2.gz DYKMNPJQBRXTLU-IBGZPJMESA-N 0 3 315.413 3.803 20 10 DHCDHN CO[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCC1 ZINC000851840373 1022020043 /nfs/dbraw/zinc/02/00/43/1022020043.db2.gz DYKMNPJQBRXTLU-IBGZPJMESA-N 0 3 315.413 3.803 20 10 DHCDHN CO[C@@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCC1 ZINC000851840373 1022020055 /nfs/dbraw/zinc/02/00/55/1022020055.db2.gz DYKMNPJQBRXTLU-IBGZPJMESA-N 0 3 315.413 3.803 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H](CO)c2ccccc2C)cc1 ZINC000766399207 1022091289 /nfs/dbraw/zinc/09/12/89/1022091289.db2.gz JMDDZMGNSZRNKT-OXJNMPFZSA-N 0 3 312.457 3.835 20 10 DHCDHN Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000183619906 1022213987 /nfs/dbraw/zinc/21/39/87/1022213987.db2.gz ZTOLPGJFSKJOMC-HNNXBMFYSA-N 0 3 307.397 3.737 20 10 DHCDHN CCOc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)c([O-])c1 ZINC000853095981 1022219478 /nfs/dbraw/zinc/21/94/78/1022219478.db2.gz IDJLARQDQNLWST-UHFFFAOYSA-N 0 3 305.340 3.859 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241909 1022241722 /nfs/dbraw/zinc/24/17/22/1022241722.db2.gz YSFTWMVCEBYGTK-QAPCUYQASA-N 0 3 320.452 3.694 20 10 DHCDHN FC(F)Oc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921487261 1022263043 /nfs/dbraw/zinc/26/30/43/1022263043.db2.gz GKCMKSKZIAQLMT-UHFFFAOYSA-N 0 3 319.351 3.903 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000183671921 1022263345 /nfs/dbraw/zinc/26/33/45/1022263345.db2.gz APCCHODENFUAJY-CABCVRRESA-N 0 3 305.418 3.509 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC(F)F ZINC000183401386 1022343479 /nfs/dbraw/zinc/34/34/79/1022343479.db2.gz QGHCGJKKGFGCHO-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(OC)c(OC)c1 ZINC000268808659 1022379526 /nfs/dbraw/zinc/37/95/26/1022379526.db2.gz GLIZHXCYGLAKCJ-OAHLLOKOSA-N 0 3 301.386 3.650 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccccc2OC)c1 ZINC000273303805 1022534729 /nfs/dbraw/zinc/53/47/29/1022534729.db2.gz CEMSWKBNCDNJKD-CHWSQXEVSA-N 0 3 301.386 3.821 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccnc(F)c1)C1CCCC1 ZINC000859138097 1033078043 /nfs/dbraw/zinc/07/80/43/1033078043.db2.gz BWCJGROILJLDGA-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccnc(F)c1)C1CCCC1 ZINC000859138097 1033078055 /nfs/dbraw/zinc/07/80/55/1033078055.db2.gz BWCJGROILJLDGA-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN COc1nc(C)cc(C)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000756532815 1022807385 /nfs/dbraw/zinc/80/73/85/1022807385.db2.gz CTYUVSRFXJSSJB-OAHLLOKOSA-N 0 3 314.429 3.880 20 10 DHCDHN CCOC(C[N@H+](Cc1ccccc1[O-])C1CCCC1)OCC ZINC000767787458 1022811787 /nfs/dbraw/zinc/81/17/87/1022811787.db2.gz JTGSWCPAASFGBL-UHFFFAOYSA-N 0 3 307.434 3.536 20 10 DHCDHN CCOC(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)OCC ZINC000767787458 1022811801 /nfs/dbraw/zinc/81/18/01/1022811801.db2.gz JTGSWCPAASFGBL-UHFFFAOYSA-N 0 3 307.434 3.536 20 10 DHCDHN Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000876557646 1033091595 /nfs/dbraw/zinc/09/15/95/1033091595.db2.gz CIMVKAGIWSYTPZ-FQEVSTJZSA-N 0 3 311.425 3.646 20 10 DHCDHN CCN(C)c1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756552715 1022918799 /nfs/dbraw/zinc/91/87/99/1022918799.db2.gz GXMMSZVXEKYRIN-CYBMUJFWSA-N 0 3 302.393 3.838 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c2c1c(F)ccc2[O-] ZINC000768239275 1022923605 /nfs/dbraw/zinc/92/36/05/1022923605.db2.gz IKXATOWMMCLITE-LFNCVDJLSA-N 0 3 317.404 3.627 20 10 DHCDHN CC(C)N(Cc1ccco1)Cc1ccc(N2CCOCC2)cc1 ZINC000768249458 1022932883 /nfs/dbraw/zinc/93/28/83/1022932883.db2.gz GRIKNVQTSLGZDM-UHFFFAOYSA-N 0 3 314.429 3.527 20 10 DHCDHN CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464740 1022974421 /nfs/dbraw/zinc/97/44/21/1022974421.db2.gz TVBUPNFPPVOXCN-MAUKXSAKSA-N 0 3 319.445 3.609 20 10 DHCDHN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464740 1022974428 /nfs/dbraw/zinc/97/44/28/1022974428.db2.gz TVBUPNFPPVOXCN-MAUKXSAKSA-N 0 3 319.445 3.609 20 10 DHCDHN CCC[N@H+](CCc1cccs1)Cc1c([O-])cccc1OC ZINC000768523284 1022981020 /nfs/dbraw/zinc/98/10/20/1022981020.db2.gz FIOBQWYNDZEHKJ-UHFFFAOYSA-N 0 3 305.443 3.917 20 10 DHCDHN CCC[N@@H+](CCc1cccs1)Cc1c([O-])cccc1OC ZINC000768523284 1022981027 /nfs/dbraw/zinc/98/10/27/1022981027.db2.gz FIOBQWYNDZEHKJ-UHFFFAOYSA-N 0 3 305.443 3.917 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)c1[O-] ZINC000768534556 1022982775 /nfs/dbraw/zinc/98/27/75/1022982775.db2.gz FPIBOSMAODDMMH-FQEVSTJZSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)c1[O-] ZINC000768534556 1022982784 /nfs/dbraw/zinc/98/27/84/1022982784.db2.gz FPIBOSMAODDMMH-FQEVSTJZSA-N 0 3 311.425 3.998 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1ccccc1Br)CC2 ZINC000297712851 1023022500 /nfs/dbraw/zinc/02/25/00/1023022500.db2.gz MWMHWQJVDNJRSC-CQSZACIVSA-N 0 3 318.214 3.932 20 10 DHCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1[O-] ZINC000769229522 1023102903 /nfs/dbraw/zinc/10/29/03/1023102903.db2.gz MJGMWNKYOQYQPR-SFHVURJKSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c1[O-] ZINC000769229522 1023102906 /nfs/dbraw/zinc/10/29/06/1023102906.db2.gz MJGMWNKYOQYQPR-SFHVURJKSA-N 0 3 311.425 3.998 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000769338064 1023127101 /nfs/dbraw/zinc/12/71/01/1023127101.db2.gz KKUATQNHCXDJMH-OAHLLOKOSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000769338064 1023127105 /nfs/dbraw/zinc/12/71/05/1023127105.db2.gz KKUATQNHCXDJMH-OAHLLOKOSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000769383792 1023137711 /nfs/dbraw/zinc/13/77/11/1023137711.db2.gz JQBYNNSWCMMARI-CYBMUJFWSA-N 0 3 301.386 3.690 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000769383792 1023137714 /nfs/dbraw/zinc/13/77/14/1023137714.db2.gz JQBYNNSWCMMARI-CYBMUJFWSA-N 0 3 301.386 3.690 20 10 DHCDHN CCN(CC)c1ccc(CN2CCCOC(C)(C)C2)cc1F ZINC000769462584 1023159715 /nfs/dbraw/zinc/15/97/15/1023159715.db2.gz HSBUIQYBZJGSKZ-UHFFFAOYSA-N 0 3 308.441 3.673 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c([O-])c1 ZINC000756606832 1023163736 /nfs/dbraw/zinc/16/37/36/1023163736.db2.gz DQUYFNBDEORENZ-KGLIPLIRSA-N 0 3 303.377 3.958 20 10 DHCDHN C[N@H+](CCOCC1CC1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769523259 1023173620 /nfs/dbraw/zinc/17/36/20/1023173620.db2.gz DERZUCAUVBTNPT-UHFFFAOYSA-N 0 3 311.425 3.918 20 10 DHCDHN C[N@@H+](CCOCC1CC1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769523259 1023173625 /nfs/dbraw/zinc/17/36/25/1023173625.db2.gz DERZUCAUVBTNPT-UHFFFAOYSA-N 0 3 311.425 3.918 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cc(F)ccc1[O-] ZINC000756738124 1023648171 /nfs/dbraw/zinc/64/81/71/1023648171.db2.gz JJWKTCXVFBRESC-QFYYESIMSA-N 0 3 309.768 3.569 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccccc1[O-] ZINC000788260244 1023866784 /nfs/dbraw/zinc/86/67/84/1023866784.db2.gz XFJWBJQIRQSMQF-HZPDHXFCSA-N 0 3 301.434 3.606 20 10 DHCDHN CN1CCCc2cc(CN[C@H]3CCCc4c(O)cccc43)ccc21 ZINC000788582295 1023908986 /nfs/dbraw/zinc/90/89/86/1023908986.db2.gz GBTYZTHUVQFOCU-IBGZPJMESA-N 0 3 322.452 3.942 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000876885220 1033176139 /nfs/dbraw/zinc/17/61/39/1033176139.db2.gz NLKPETDHSMICQQ-MRXNPFEDSA-N 0 3 316.470 3.689 20 10 DHCDHN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000162653884 1024194220 /nfs/dbraw/zinc/19/42/20/1024194220.db2.gz CZGWGNHZHMMJHH-SFHVURJKSA-N 0 3 321.424 3.788 20 10 DHCDHN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000162653884 1024194226 /nfs/dbraw/zinc/19/42/26/1024194226.db2.gz CZGWGNHZHMMJHH-SFHVURJKSA-N 0 3 321.424 3.788 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000876967722 1033194376 /nfs/dbraw/zinc/19/43/76/1033194376.db2.gz KECJFSUQGAIGKI-FXAWDEMLSA-N 0 3 311.425 3.958 20 10 DHCDHN C[C@@H](NCc1cccc(Cl)c1N)c1ccc(N(C)C)cc1 ZINC000883092015 1024239415 /nfs/dbraw/zinc/23/94/15/1024239415.db2.gz CVVCFZDCQVCCEK-GFCCVEGCSA-N 0 3 303.837 3.839 20 10 DHCDHN COC(OC)c1ccc(F)c(CN[C@H](C)c2ccccc2O)c1 ZINC000883224912 1024300167 /nfs/dbraw/zinc/30/01/67/1024300167.db2.gz VPZNIWYHOQKDKY-GFCCVEGCSA-N 0 3 319.376 3.674 20 10 DHCDHN COC(OC)c1ccc(F)c(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000883224912 1024300185 /nfs/dbraw/zinc/30/01/85/1024300185.db2.gz VPZNIWYHOQKDKY-GFCCVEGCSA-N 0 3 319.376 3.674 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccc(OCC)c1O ZINC000092704996 1024316847 /nfs/dbraw/zinc/31/68/47/1024316847.db2.gz UGESMOQXINEIKG-UHFFFAOYSA-N 0 3 315.413 3.909 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccc(OCC)c1O ZINC000092704996 1024316859 /nfs/dbraw/zinc/31/68/59/1024316859.db2.gz UGESMOQXINEIKG-UHFFFAOYSA-N 0 3 315.413 3.909 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000270648024 1024412557 /nfs/dbraw/zinc/41/25/57/1024412557.db2.gz LCOOTJZQIVRAPV-YJBOKZPZSA-N 0 3 321.461 3.864 20 10 DHCDHN C[C@H](CCNCc1c([O-])ccc(Cl)c1F)[NH+]1CCCCC1 ZINC000790986567 1024425885 /nfs/dbraw/zinc/42/58/85/1024425885.db2.gz PVAWKYVQKQCOEQ-GFCCVEGCSA-N 0 3 314.832 3.539 20 10 DHCDHN CCC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271192968 1024469005 /nfs/dbraw/zinc/46/90/05/1024469005.db2.gz MPUQHISYLRBEMB-UHFFFAOYSA-N 0 3 311.425 3.796 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000132802374 1024505203 /nfs/dbraw/zinc/50/52/03/1024505203.db2.gz MUYCQLVRGSSQJJ-FUHWJXTLSA-N 0 3 310.441 3.707 20 10 DHCDHN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccccc1O ZINC000271444495 1024508428 /nfs/dbraw/zinc/50/84/28/1024508428.db2.gz SOQUMUBQGXZZIW-KRWDZBQOSA-N 0 3 307.397 3.616 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791475425 1024509022 /nfs/dbraw/zinc/50/90/22/1024509022.db2.gz OVDUKDOULMXKLD-FQEVSTJZSA-N 0 3 321.420 3.581 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791475425 1024509028 /nfs/dbraw/zinc/50/90/28/1024509028.db2.gz OVDUKDOULMXKLD-FQEVSTJZSA-N 0 3 321.420 3.581 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796696197 1024635708 /nfs/dbraw/zinc/63/57/08/1024635708.db2.gz RWZUYMYNNQYSBD-YOEHRIQHSA-N 0 3 308.441 3.694 20 10 DHCDHN C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000792276574 1024659347 /nfs/dbraw/zinc/65/93/47/1024659347.db2.gz LUXFZUZLWSAHMR-LLVKDONJSA-N 0 3 309.768 3.914 20 10 DHCDHN Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccc(C)cc2[O-])n1 ZINC000877086524 1033235648 /nfs/dbraw/zinc/23/56/48/1033235648.db2.gz ZCLHXJCIDBCNJY-UHFFFAOYSA-N 0 3 321.424 3.793 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000040906227 1024857055 /nfs/dbraw/zinc/85/70/55/1024857055.db2.gz IKGTYGRBFYRKNR-LBPRGKRZSA-N 0 3 305.805 3.775 20 10 DHCDHN Cc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877119061 1033244183 /nfs/dbraw/zinc/24/41/83/1033244183.db2.gz SUCGOIDEFKMBTN-UHFFFAOYSA-N 0 3 319.445 3.691 20 10 DHCDHN C[C@@H]([NH2+]CCc1cccc2cccnc21)c1cc(F)ccc1[O-] ZINC000321511099 1024937213 /nfs/dbraw/zinc/93/72/13/1024937213.db2.gz FQETYWSINUQQCY-CYBMUJFWSA-N 0 3 310.372 3.973 20 10 DHCDHN Oc1ccc(-c2ccccc2)cc1CNCc1cccnc1F ZINC000793289201 1024974490 /nfs/dbraw/zinc/97/44/90/1024974490.db2.gz LHZZMGZLTYMYAS-UHFFFAOYSA-N 0 3 308.356 3.883 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793353279 1024999440 /nfs/dbraw/zinc/99/94/40/1024999440.db2.gz QYVJAVHJKUKSCO-GOEBONIOSA-N 0 3 315.388 3.966 20 10 DHCDHN FC(F)(F)c1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000107828034 1025128779 /nfs/dbraw/zinc/12/87/79/1025128779.db2.gz ALVGOWAUQSMMOE-UHFFFAOYSA-N 0 3 307.315 3.930 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000123909138 1025310027 /nfs/dbraw/zinc/31/00/27/1025310027.db2.gz BLZUKWSYTGXBBN-CQSZACIVSA-N 0 3 314.429 3.621 20 10 DHCDHN CCN(C)c1ccc(CNCc2c(C)c3ccccc3n2C)cn1 ZINC000355140686 1025615928 /nfs/dbraw/zinc/61/59/28/1025615928.db2.gz YRVYLFONULUGMH-UHFFFAOYSA-N 0 3 322.456 3.628 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1c([O-])cccc1F ZINC000886528506 1025681390 /nfs/dbraw/zinc/68/13/90/1025681390.db2.gz NGAVZHVZKKZJFI-LBPRGKRZSA-N 0 3 320.383 3.583 20 10 DHCDHN C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1c([O-])cccc1F ZINC000886584183 1025719730 /nfs/dbraw/zinc/71/97/30/1025719730.db2.gz KCYDRFZRKZROQY-CYBMUJFWSA-N 0 3 318.392 3.645 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000806180965 1025834227 /nfs/dbraw/zinc/83/42/27/1025834227.db2.gz UNHISIHBSRWCCA-DZGCQCFKSA-N 0 3 319.832 3.781 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c([O-])c1 ZINC000290002534 1026276249 /nfs/dbraw/zinc/27/62/49/1026276249.db2.gz ZGTJZACMTGJANR-UGSOOPFHSA-N 0 3 317.454 3.901 20 10 DHCDHN C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000279970215 1026332475 /nfs/dbraw/zinc/33/24/75/1026332475.db2.gz CYYYLOWUZZAGEP-INIZCTEOSA-N 0 3 310.441 3.959 20 10 DHCDHN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808693106 1026348787 /nfs/dbraw/zinc/34/87/87/1026348787.db2.gz WCABVSIUFFWORL-QWRGUYRKSA-N 0 3 307.825 3.808 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)C2CCCC2)c1[O-] ZINC000808691516 1026349784 /nfs/dbraw/zinc/34/97/84/1026349784.db2.gz IRYYCFHKZKOLBU-CYBMUJFWSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808693104 1026350427 /nfs/dbraw/zinc/35/04/27/1026350427.db2.gz WCABVSIUFFWORL-GHMZBOCLSA-N 0 3 307.825 3.808 20 10 DHCDHN CC[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])N1CCCC1 ZINC000808675742 1026354071 /nfs/dbraw/zinc/35/40/71/1026354071.db2.gz QTCFFMUTUVQCPQ-UKRRQHHQSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808675034 1026354090 /nfs/dbraw/zinc/35/40/90/1026354090.db2.gz UTKNQRMXKTWAKF-GFCCVEGCSA-N 0 3 307.825 3.669 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1[O-] ZINC000808678044 1026355463 /nfs/dbraw/zinc/35/54/63/1026355463.db2.gz IXYZJYBYURRDAM-UONOGXRCSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1[O-] ZINC000808679626 1026355491 /nfs/dbraw/zinc/35/54/91/1026355491.db2.gz VIVNNEMNDHHYNA-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOc2ncccc2F)c1[O-] ZINC000808708333 1026358855 /nfs/dbraw/zinc/35/88/55/1026358855.db2.gz KJIXNSMCQWUTHE-NSHDSACASA-N 0 3 324.783 3.618 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C(C)(C)O)cc1 ZINC000924901687 1026489711 /nfs/dbraw/zinc/48/97/11/1026489711.db2.gz SXOPUPNGESZFCN-CQSZACIVSA-N 0 3 311.425 3.700 20 10 DHCDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000280001814 1026573484 /nfs/dbraw/zinc/57/34/84/1026573484.db2.gz GAPSGQDNBULCCL-LJQANCHMSA-N 0 3 324.472 3.578 20 10 DHCDHN CN(C)c1ccc(CN2CCC(c3ccncc3)CC2)cc1F ZINC000809730524 1026598046 /nfs/dbraw/zinc/59/80/46/1026598046.db2.gz QYQCXFHRPUYTHS-UHFFFAOYSA-N 0 3 313.420 3.666 20 10 DHCDHN CCOc1ccc(C[N@H+](CC)[C@@H](C)c2cccnc2)c([O-])c1 ZINC000809766090 1026619598 /nfs/dbraw/zinc/61/95/98/1026619598.db2.gz UQYQBFSJAHTOJA-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCOc1ccc(C[N@@H+](CC)[C@@H](C)c2cccnc2)c([O-])c1 ZINC000809766090 1026619603 /nfs/dbraw/zinc/61/96/03/1026619603.db2.gz UQYQBFSJAHTOJA-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H](CC)c2ccncc2)c([O-])c1 ZINC000809765537 1026620323 /nfs/dbraw/zinc/62/03/23/1026620323.db2.gz NZXNUEHUZIASQG-KRWDZBQOSA-N 0 3 300.402 3.769 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](CC)c2ccncc2)c([O-])c1 ZINC000809765537 1026620325 /nfs/dbraw/zinc/62/03/25/1026620325.db2.gz NZXNUEHUZIASQG-KRWDZBQOSA-N 0 3 300.402 3.769 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000809786844 1026626415 /nfs/dbraw/zinc/62/64/15/1026626415.db2.gz MPGQRFSGOKLBPQ-SJCJKPOMSA-N 0 3 305.805 3.566 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1cccc2c1NCCC2 ZINC000894255744 1026940138 /nfs/dbraw/zinc/94/01/38/1026940138.db2.gz ILAKWMZZIXZVLX-UHFFFAOYSA-N 0 3 309.457 3.709 20 10 DHCDHN CCOc1ccc2c(c1)[C@@H](NCc1cc(C)ccc1O)CCO2 ZINC000187546111 1027121727 /nfs/dbraw/zinc/12/17/27/1027121727.db2.gz UWKBYQBARALHEK-KRWDZBQOSA-N 0 3 313.397 3.713 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1OC ZINC000295773924 1027424717 /nfs/dbraw/zinc/42/47/17/1027424717.db2.gz AMFNPJODLAICPC-HNNXBMFYSA-N 0 3 313.397 3.577 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000295812204 1027440181 /nfs/dbraw/zinc/44/01/81/1027440181.db2.gz CUHMOPUSBYHZDD-SFHVURJKSA-N 0 3 308.425 3.638 20 10 DHCDHN CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295816759 1027442904 /nfs/dbraw/zinc/44/29/04/1027442904.db2.gz DBOATQYNVMPVCX-KRWDZBQOSA-N 0 3 324.424 3.908 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2cnn(CC)c2)cc1 ZINC000295824456 1027446522 /nfs/dbraw/zinc/44/65/22/1027446522.db2.gz CAGCVDFBMLQBKH-HUUCEWRRSA-N 0 3 300.450 3.771 20 10 DHCDHN CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295861729 1027463406 /nfs/dbraw/zinc/46/34/06/1027463406.db2.gz GPSUDLLMOTVMQS-KRWDZBQOSA-N 0 3 324.424 3.764 20 10 DHCDHN CCSc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccn1 ZINC000296568710 1027671381 /nfs/dbraw/zinc/67/13/81/1027671381.db2.gz UXCQBOZSFLVCJU-CQSZACIVSA-N 0 3 300.427 3.676 20 10 DHCDHN C[C@@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985419 1027718640 /nfs/dbraw/zinc/71/86/40/1027718640.db2.gz SYRAMOQQLSUAKX-HZPDHXFCSA-N 0 3 315.413 3.803 20 10 DHCDHN C[C@@H]1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985419 1027718652 /nfs/dbraw/zinc/71/86/52/1027718652.db2.gz SYRAMOQQLSUAKX-HZPDHXFCSA-N 0 3 315.413 3.803 20 10 DHCDHN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])CN(C)C ZINC000813877313 1027746423 /nfs/dbraw/zinc/74/64/23/1027746423.db2.gz RNHBWUDSOFSEFW-ZJUUUORDSA-N 0 3 305.249 3.547 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000779018567 1027835713 /nfs/dbraw/zinc/83/57/13/1027835713.db2.gz BBTZBCUBEQWOBU-KRWDZBQOSA-N 0 3 303.402 3.821 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000779018567 1027835734 /nfs/dbraw/zinc/83/57/34/1027835734.db2.gz BBTZBCUBEQWOBU-KRWDZBQOSA-N 0 3 303.402 3.821 20 10 DHCDHN C[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764368 1027885673 /nfs/dbraw/zinc/88/56/73/1027885673.db2.gz MHQKGSOPCAICCB-LIRRHRJNSA-N 0 3 307.397 3.566 20 10 DHCDHN COc1ccc([C@@H](NCc2ccc(OC)c(C)c2)C2CC2)cn1 ZINC000527840864 1027915938 /nfs/dbraw/zinc/91/59/38/1027915938.db2.gz KJISROOQMKHUMV-IBGZPJMESA-N 0 3 312.413 3.648 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1[O-] ZINC000527947011 1027978853 /nfs/dbraw/zinc/97/88/53/1027978853.db2.gz JMEXIWPABBEMSC-AEFFLSMTSA-N 0 3 302.462 3.840 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)c1[O-] ZINC000779038079 1027992809 /nfs/dbraw/zinc/99/28/09/1027992809.db2.gz INAIJICAYDKPGI-ZJUUUORDSA-N 0 3 324.222 3.598 20 10 DHCDHN CN(C)c1ccc(CN2CC=C(c3cncc(F)c3)CC2)cc1 ZINC000365855041 1028020673 /nfs/dbraw/zinc/02/06/73/1028020673.db2.gz TVUWTPIUIVYOKB-UHFFFAOYSA-N 0 3 311.404 3.576 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)c2c1c(F)ccc2[O-] ZINC000528004093 1028033071 /nfs/dbraw/zinc/03/30/71/1028033071.db2.gz VDEFZUAQBJEKND-XNRPHZJLSA-N 0 3 318.436 3.686 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000779085517 1028205636 /nfs/dbraw/zinc/20/56/36/1028205636.db2.gz AWCDORPZVKIXPZ-UHFFFAOYSA-N 0 3 318.779 3.998 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000779100208 1028257859 /nfs/dbraw/zinc/25/78/59/1028257859.db2.gz GGAFRANTNRAICW-UHFFFAOYSA-N 0 3 315.388 3.760 20 10 DHCDHN COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000368327883 1028336622 /nfs/dbraw/zinc/33/66/22/1028336622.db2.gz NFPXSAUQAXRWRP-XHDPSFHLSA-N 0 3 317.360 3.714 20 10 DHCDHN CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1[O-] ZINC000368414967 1028351581 /nfs/dbraw/zinc/35/15/81/1028351581.db2.gz XADOLWGOSBQYCV-ZBCRRDGASA-N 0 3 315.417 3.851 20 10 DHCDHN CCN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000815119412 1028366209 /nfs/dbraw/zinc/36/62/09/1028366209.db2.gz WYGAYCAXEHEWLK-MOPGFXCFSA-N 0 3 314.473 3.676 20 10 DHCDHN CCN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000815119413 1028367080 /nfs/dbraw/zinc/36/70/80/1028367080.db2.gz WYGAYCAXEHEWLK-OALUTQOASA-N 0 3 314.473 3.676 20 10 DHCDHN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815159146 1028386283 /nfs/dbraw/zinc/38/62/83/1028386283.db2.gz KAKNAYXOWQHAFU-YWZLYKJASA-N 0 3 311.425 3.700 20 10 DHCDHN C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccccc1[O-] ZINC000188625413 1028520424 /nfs/dbraw/zinc/52/04/24/1028520424.db2.gz PMBUIUIYTYTHAQ-HUBLWGQQSA-N 0 3 317.351 3.526 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c([O-])c1 ZINC000815564242 1028546306 /nfs/dbraw/zinc/54/63/06/1028546306.db2.gz CPACFJIPYWKJIY-FUHWJXTLSA-N 0 3 313.441 3.511 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@H](c2ccsc2)C1 ZINC000369928994 1028546970 /nfs/dbraw/zinc/54/69/70/1028546970.db2.gz GFCAPGQSFIOAQB-RDJZCZTQSA-N 0 3 303.427 3.978 20 10 DHCDHN CC(C)(CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815596711 1028562599 /nfs/dbraw/zinc/56/25/99/1028562599.db2.gz CAFXFWIOIUSEKZ-SFHVURJKSA-N 0 3 313.441 3.674 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000815642954 1028588591 /nfs/dbraw/zinc/58/85/91/1028588591.db2.gz PHKUPWLRMKQOGL-MNOVXSKESA-N 0 3 306.793 3.866 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000815642955 1028589917 /nfs/dbraw/zinc/58/99/17/1028589917.db2.gz PHKUPWLRMKQOGL-QWRGUYRKSA-N 0 3 306.793 3.866 20 10 DHCDHN C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000372927012 1028922665 /nfs/dbraw/zinc/92/26/65/1028922665.db2.gz KHZKTXAZLZXQEW-ZIAGYGMSSA-N 0 3 323.396 3.724 20 10 DHCDHN C[C@H](F)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816643880 1028972343 /nfs/dbraw/zinc/97/23/43/1028972343.db2.gz UFNYXPAJVNHYLE-AWEZNQCLSA-N 0 3 303.377 3.809 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC23CCSCC3)c1[O-] ZINC000817410300 1029149910 /nfs/dbraw/zinc/14/99/10/1029149910.db2.gz KWLSMQSAPSCRCK-ZDUSSCGKSA-N 0 3 311.878 3.977 20 10 DHCDHN CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccccc1[O-] ZINC000155590602 1029258555 /nfs/dbraw/zinc/25/85/55/1029258555.db2.gz WVMZOQPRFDBTPC-AWEZNQCLSA-N 0 3 303.406 3.572 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1[O-] ZINC000817955149 1029298381 /nfs/dbraw/zinc/29/83/81/1029298381.db2.gz REAOZFJYMDSBKX-MLGOLLRUSA-N 0 3 304.821 3.705 20 10 DHCDHN CCC(N)(CC)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817960562 1029299622 /nfs/dbraw/zinc/29/96/22/1029299622.db2.gz ODLFNBSYUAPYEM-JTQLQIEISA-N 0 3 304.356 3.579 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc(F)ccc1[O-] ZINC000817977285 1029313344 /nfs/dbraw/zinc/31/33/44/1029313344.db2.gz GNKPZCLMYRFZDP-LBPRGKRZSA-N 0 3 300.377 3.740 20 10 DHCDHN CC[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984372 1029319603 /nfs/dbraw/zinc/31/96/03/1029319603.db2.gz RKAVFDSGEQMVLF-GXFFZTMASA-N 0 3 317.260 3.882 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccccc1[O-] ZINC000156065470 1029368430 /nfs/dbraw/zinc/36/84/30/1029368430.db2.gz OIRAXDCWECLESV-RDTXWAMCSA-N 0 3 315.413 3.909 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccccc1[O-] ZINC000156083087 1029376390 /nfs/dbraw/zinc/37/63/90/1029376390.db2.gz CPBRISLMILGLRR-GDBMZVCRSA-N 0 3 315.413 3.909 20 10 DHCDHN COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1F ZINC000320829298 1029427549 /nfs/dbraw/zinc/42/75/49/1029427549.db2.gz FXGPLWVRCXEHAC-ABAIWWIYSA-N 0 3 301.361 3.878 20 10 DHCDHN C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1[O-] ZINC000374675618 1029430436 /nfs/dbraw/zinc/43/04/36/1029430436.db2.gz FGEJFVDCCAFJEG-AWEZNQCLSA-N 0 3 316.470 3.769 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2OC)c([O-])c1 ZINC000865821199 1030041415 /nfs/dbraw/zinc/04/14/15/1030041415.db2.gz AAMNTWSJJNZYPL-ZDUSSCGKSA-N 0 3 301.386 3.650 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1([C@@H]3CCCCO3)CCC1)CC2 ZINC000866480499 1030317664 /nfs/dbraw/zinc/31/76/64/1030317664.db2.gz FBOPZMSSDRFJLU-RDJZCZTQSA-N 0 3 301.430 3.709 20 10 DHCDHN CC[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000866511651 1030336990 /nfs/dbraw/zinc/33/69/90/1030336990.db2.gz DWZWHCUOXIMNKG-HHXXYDBFSA-N 0 3 303.446 3.947 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000291153361 1030366367 /nfs/dbraw/zinc/36/63/67/1030366367.db2.gz IMPJDBIOYDGLCJ-LSDHHAIUSA-N 0 3 314.404 3.708 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)c1[O-] ZINC000866634941 1030416090 /nfs/dbraw/zinc/41/60/90/1030416090.db2.gz VYJPJSWFLGFCIY-RISCZKNCSA-N 0 3 305.809 3.736 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CCCC(C)(F)F)c1[O-] ZINC000824477845 1030561324 /nfs/dbraw/zinc/56/13/24/1030561324.db2.gz ZATBWCUPZOGBMB-UHFFFAOYSA-N 0 3 322.193 3.988 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)c2ccccn2)c1[O-] ZINC000824583507 1030594963 /nfs/dbraw/zinc/59/49/63/1030594963.db2.gz NTIAJCXKHLNZAX-UHFFFAOYSA-N 0 3 304.821 3.816 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cnc(C)cc2C)cc1F ZINC000825221728 1030747626 /nfs/dbraw/zinc/74/76/26/1030747626.db2.gz WRSIGGHDYDXWOT-UHFFFAOYSA-N 0 3 315.436 3.974 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926904981 1030978658 /nfs/dbraw/zinc/97/86/58/1030978658.db2.gz KNULWSYKBVCNCD-DRCTWCGVSA-N 0 3 321.314 3.682 20 10 DHCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)n1 ZINC000927054406 1031054834 /nfs/dbraw/zinc/05/48/34/1031054834.db2.gz XZCOJIIRTGRTQH-MGPQQGTHSA-N 0 3 315.417 3.633 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1OCCc3ccccc31)CC2 ZINC000927113239 1031099419 /nfs/dbraw/zinc/09/94/19/1031099419.db2.gz XUUKSHQOTBCGCZ-PKOBYXMFSA-N 0 3 309.409 3.673 20 10 DHCDHN CCN(C)c1ccc(CN(Cc2cnn(CC)c2)C(C)C)cc1 ZINC000844422986 1031118989 /nfs/dbraw/zinc/11/89/89/1031118989.db2.gz JTMDDTPDNKWLAO-UHFFFAOYSA-N 0 3 314.477 3.770 20 10 DHCDHN CCn1cc(CN(Cc2ccc(N(C)C)c(C)c2)C(C)C)cn1 ZINC000844424011 1031122159 /nfs/dbraw/zinc/12/21/59/1031122159.db2.gz WERWUFURIHJZHR-UHFFFAOYSA-N 0 3 314.477 3.688 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000844920642 1031401324 /nfs/dbraw/zinc/40/13/24/1031401324.db2.gz NKEGAGRHFXRDOF-PVXIVEMSSA-N 0 3 312.388 3.706 20 10 DHCDHN CSc1ccc([C@@H](C[NH2+]Cc2ccccc2[O-])N(C)C)cc1 ZINC000293486313 1031489538 /nfs/dbraw/zinc/48/95/38/1031489538.db2.gz SIOPJRGCSYOQJH-QGZVFWFLSA-N 0 3 316.470 3.507 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1ccc(C)cc1[O-] ZINC000872123158 1031513198 /nfs/dbraw/zinc/51/31/98/1031513198.db2.gz RZAJZUIQKAOOTA-AWEZNQCLSA-N 0 3 312.369 3.788 20 10 DHCDHN Cc1ccc2nc(CN[C@@H](C)c3c(C)cc(C)cc3O)cn2c1 ZINC000293586011 1031526782 /nfs/dbraw/zinc/52/67/82/1031526782.db2.gz FETMQBYVWODIRY-HNNXBMFYSA-N 0 3 309.413 3.816 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293708845 1031580672 /nfs/dbraw/zinc/58/06/72/1031580672.db2.gz LVNCOFJNXFUGAE-UKRRQHHQSA-N 0 3 301.434 3.501 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293708846 1031581360 /nfs/dbraw/zinc/58/13/60/1031581360.db2.gz LVNCOFJNXFUGAE-ZFWWWQNUSA-N 0 3 301.434 3.501 20 10 DHCDHN Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC000872815973 1031666700 /nfs/dbraw/zinc/66/67/00/1031666700.db2.gz FFTSONKLSVZAAV-IUODEOHRSA-N 0 3 317.351 3.551 20 10 DHCDHN CCn1cc(C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C(C)C)cn1 ZINC000846055627 1031849556 /nfs/dbraw/zinc/84/95/56/1031849556.db2.gz NPQCQRIWLORUFF-UHFFFAOYSA-N 0 3 321.852 3.981 20 10 DHCDHN CCn1cc(C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C(C)C)cn1 ZINC000846055627 1031849566 /nfs/dbraw/zinc/84/95/66/1031849566.db2.gz NPQCQRIWLORUFF-UHFFFAOYSA-N 0 3 321.852 3.981 20 10 DHCDHN CCn1cc(CN(Cc2cc(Cl)cc(C)c2O)C(C)C)cn1 ZINC000846055627 1031849576 /nfs/dbraw/zinc/84/95/76/1031849576.db2.gz NPQCQRIWLORUFF-UHFFFAOYSA-N 0 3 321.852 3.981 20 10 DHCDHN CCOc1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC000846101393 1031873127 /nfs/dbraw/zinc/87/31/27/1031873127.db2.gz BTKHYRYRVSNZLN-LBPRGKRZSA-N 0 3 318.244 3.855 20 10 DHCDHN c1cc(CNCc2ccc(N3CCCCC3)cc2)cc2nonc12 ZINC000897993461 1031900894 /nfs/dbraw/zinc/90/08/94/1031900894.db2.gz DMUMKTVKNKBCDD-UHFFFAOYSA-N 0 3 322.412 3.503 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000877515757 1033331805 /nfs/dbraw/zinc/33/18/05/1033331805.db2.gz OGWMUJVUEZGBIF-MRXNPFEDSA-N 0 3 315.413 3.959 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000877516612 1033331940 /nfs/dbraw/zinc/33/19/40/1033331940.db2.gz GYAPVKDWLIOIKB-HSALFYBXSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000877516612 1033331943 /nfs/dbraw/zinc/33/19/43/1033331943.db2.gz GYAPVKDWLIOIKB-HSALFYBXSA-N 0 3 323.436 3.705 20 10 DHCDHN [O-]c1c(O)cccc1C[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172820319 1033384870 /nfs/dbraw/zinc/38/48/70/1033384870.db2.gz SWNJAVOXMSLHFH-UHFFFAOYSA-N 0 3 311.425 3.989 20 10 DHCDHN C[C@@H](NCc1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000151151997 1033422005 /nfs/dbraw/zinc/42/20/05/1033422005.db2.gz UQNUFGBEMGSOPN-MRXNPFEDSA-N 0 3 312.461 3.651 20 10 DHCDHN C[C@H](NCc1cccc(F)c1OC(F)F)c1ccccc1O ZINC000877758028 1033435496 /nfs/dbraw/zinc/43/54/96/1033435496.db2.gz DWVIQVOZLWGFDG-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1[O-] ZINC000877758028 1033435504 /nfs/dbraw/zinc/43/55/04/1033435504.db2.gz DWVIQVOZLWGFDG-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@@H](NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152947282 1033550930 /nfs/dbraw/zinc/55/09/30/1033550930.db2.gz LCAIVIYHNXDDRQ-OAHLLOKOSA-N 0 3 314.404 3.513 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnc(C2CC2)o1 ZINC000862394202 1033839223 /nfs/dbraw/zinc/83/92/23/1033839223.db2.gz DPEURNPGQVIUAX-AWEZNQCLSA-N 0 3 313.445 3.647 20 10 DHCDHN CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647823 1034071606 /nfs/dbraw/zinc/07/16/06/1034071606.db2.gz MNOYSSSDRCQHSB-KGLIPLIRSA-N 0 3 312.413 3.632 20 10 DHCDHN CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879653280 1034073251 /nfs/dbraw/zinc/07/32/51/1034073251.db2.gz MNOYSSSDRCQHSB-KBPBESRZSA-N 0 3 312.413 3.632 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000178529854 1034247004 /nfs/dbraw/zinc/24/70/04/1034247004.db2.gz UGBSCMAYQHWPCI-CYBMUJFWSA-N 0 3 302.393 3.751 20 10 DHCDHN Oc1ccccc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000179577785 1034319375 /nfs/dbraw/zinc/31/93/75/1034319375.db2.gz ZJNUSTFCZVIMCR-UHFFFAOYSA-N 0 3 313.241 3.709 20 10 DHCDHN COc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1[O-])O[C@@H](C)C2 ZINC000183406929 1034383574 /nfs/dbraw/zinc/38/35/74/1034383574.db2.gz BYPVVUVEMDBTGV-STQMWFEESA-N 0 3 313.397 3.575 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1[O-] ZINC000183440509 1034388167 /nfs/dbraw/zinc/38/81/67/1034388167.db2.gz XRHTUSVKMXIZHI-HNNXBMFYSA-N 0 3 324.424 3.760 20 10 DHCDHN COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183551649 1034400168 /nfs/dbraw/zinc/40/01/68/1034400168.db2.gz DRVMHTKGBQBYRY-OAHLLOKOSA-N 0 3 315.413 3.577 20 10 DHCDHN CC[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794801910 1034472686 /nfs/dbraw/zinc/47/26/86/1034472686.db2.gz BROQKXODKRHRDJ-HNNXBMFYSA-N 0 3 322.449 3.608 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794794327 1034475602 /nfs/dbraw/zinc/47/56/02/1034475602.db2.gz LWUSTEPWQNWBHI-HOCLYGCPSA-N 0 3 313.397 3.581 20 10 DHCDHN CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(C)cc1[O-] ZINC000794806702 1034497858 /nfs/dbraw/zinc/49/78/58/1034497858.db2.gz VIFQRDVEAITLPK-MRXNPFEDSA-N 0 3 309.413 3.791 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000184885142 1034510467 /nfs/dbraw/zinc/51/04/67/1034510467.db2.gz XDAJMMAFDVGKTA-CABCVRRESA-N 0 3 322.412 3.693 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1[O-] ZINC000794815873 1034526453 /nfs/dbraw/zinc/52/64/53/1034526453.db2.gz MAYVKFAFDCTONV-QGZVFWFLSA-N 0 3 314.385 3.892 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794817425 1034527610 /nfs/dbraw/zinc/52/76/10/1034527610.db2.gz NAYRLRQESZCHGJ-CRAIPNDOSA-N 0 3 317.429 3.982 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c([O-])c1 ZINC000185232537 1034535979 /nfs/dbraw/zinc/53/59/79/1034535979.db2.gz UJUMFSZKVBQSSB-CYBMUJFWSA-N 0 3 302.393 3.757 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794818506 1034537285 /nfs/dbraw/zinc/53/72/85/1034537285.db2.gz XFRXLJZKAOBEKE-IEBWSBKVSA-N 0 3 313.441 3.653 20 10 DHCDHN C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000185312721 1034541221 /nfs/dbraw/zinc/54/12/21/1034541221.db2.gz JFFIUNDREUQBKU-SJKOYZFVSA-N 0 3 305.805 3.604 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794819683 1034542992 /nfs/dbraw/zinc/54/29/92/1034542992.db2.gz XHKFVMIBIXSLMA-QUCCMNQESA-N 0 3 311.425 3.575 20 10 DHCDHN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185338266 1034543062 /nfs/dbraw/zinc/54/30/62/1034543062.db2.gz MFTZKYOKXDMGLU-CQSZACIVSA-N 0 3 312.413 3.552 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NC2(c3cccc(F)c3)CC2)c1 ZINC000186321619 1034618518 /nfs/dbraw/zinc/61/85/18/1034618518.db2.gz VKBFOTNOCLDCFH-GFCCVEGCSA-N 0 3 301.361 3.880 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([O-])c1 ZINC000186355104 1034623423 /nfs/dbraw/zinc/62/34/23/1034623423.db2.gz JORVAEMCUIDHKX-KCMWZYNZSA-N 0 3 301.430 3.699 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)NCc2ccco2)c1O ZINC000186913842 1034674874 /nfs/dbraw/zinc/67/48/74/1034674874.db2.gz NDKXYWAQVFZBSJ-JTQLQIEISA-N 0 3 310.191 3.907 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccncc2CC)c([O-])c1 ZINC000773425669 1034679135 /nfs/dbraw/zinc/67/91/35/1034679135.db2.gz ARNQAQBJCVDVNQ-CYBMUJFWSA-N 0 3 300.402 3.599 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccncc2CC)c([O-])c1 ZINC000773425670 1034679196 /nfs/dbraw/zinc/67/91/96/1034679196.db2.gz ARNQAQBJCVDVNQ-ZDUSSCGKSA-N 0 3 300.402 3.599 20 10 DHCDHN CCN(C)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000773811416 1035472840 /nfs/dbraw/zinc/47/28/40/1035472840.db2.gz MJBHWRSHZNNVGJ-AWEZNQCLSA-N 0 3 313.401 3.902 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001180524518 1035697518 /nfs/dbraw/zinc/69/75/18/1035697518.db2.gz YHFRYIXDJCMTEP-KRWDZBQOSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001180524518 1035697530 /nfs/dbraw/zinc/69/75/30/1035697530.db2.gz YHFRYIXDJCMTEP-KRWDZBQOSA-N 0 3 311.425 3.916 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000775738356 1036595678 /nfs/dbraw/zinc/59/56/78/1036595678.db2.gz BDRDKCLYSLYCJU-UONOGXRCSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000775738356 1036595703 /nfs/dbraw/zinc/59/57/03/1036595703.db2.gz BDRDKCLYSLYCJU-UONOGXRCSA-N 0 3 309.837 3.603 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)cc1 ZINC000774639911 1036605300 /nfs/dbraw/zinc/60/53/00/1036605300.db2.gz MVHAIQUASZYYNK-GOSISDBHSA-N 0 3 319.832 3.991 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)cc1 ZINC000774639911 1036605308 /nfs/dbraw/zinc/60/53/08/1036605308.db2.gz MVHAIQUASZYYNK-GOSISDBHSA-N 0 3 319.832 3.991 20 10 DHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C)(OC)CC3)c2c1 ZINC000774646144 1036619869 /nfs/dbraw/zinc/61/98/69/1036619869.db2.gz OHJREPJOHITQAM-UHFFFAOYSA-N 0 3 315.413 3.555 20 10 DHCDHN CC(C)[C@H]1CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775764963 1036722072 /nfs/dbraw/zinc/72/20/72/1036722072.db2.gz MHFSQBBFRWMFTB-MRXNPFEDSA-N 0 3 317.433 3.815 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000238096340 1037039462 /nfs/dbraw/zinc/03/94/62/1037039462.db2.gz MREYTZTYIVIFND-UHFFFAOYSA-N 0 3 302.462 3.671 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccco2)c1[O-] ZINC000775915561 1037152214 /nfs/dbraw/zinc/15/22/14/1037152214.db2.gz BTSCJZCSIYHRHU-NSHDSACASA-N 0 3 324.218 3.777 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@H]2COCc2ccccc2)cc1 ZINC001203934139 1037252970 /nfs/dbraw/zinc/25/29/70/1037252970.db2.gz OBXULMPVRBOJRA-FQEVSTJZSA-N 0 3 310.441 3.544 20 10 DHCDHN CN(C)c1ccc(/C=C\CNCc2ccc(Cl)nc2)cc1 ZINC001199412077 1037259785 /nfs/dbraw/zinc/25/97/85/1037259785.db2.gz FWMNALJVJLOBIM-ARJAWSKDSA-N 0 3 301.821 3.604 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccccc1[O-] ZINC000156075166 1037456100 /nfs/dbraw/zinc/45/61/00/1037456100.db2.gz RERXDGCSHWSCDT-RDTXWAMCSA-N 0 3 315.413 3.909 20 10 DHCDHN COc1ccc(-c2cc(CN[C@@H](C)c3ccccc3O)on2)cc1 ZINC000775130454 1037656199 /nfs/dbraw/zinc/65/61/99/1037656199.db2.gz LEIJZHQVANPEHF-ZDUSSCGKSA-N 0 3 324.380 3.907 20 10 DHCDHN Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000775130017 1037666882 /nfs/dbraw/zinc/66/68/82/1037666882.db2.gz KLZJTBPTCFSJOG-LBPRGKRZSA-N 0 3 318.804 3.643 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000776173715 1037678131 /nfs/dbraw/zinc/67/81/31/1037678131.db2.gz HFJUINDSEJSMFM-UHFFFAOYSA-N 0 3 320.776 3.595 20 10 DHCDHN C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccccc1O ZINC000775135061 1037685200 /nfs/dbraw/zinc/68/52/00/1037685200.db2.gz CUFLTZZDCDTTIY-CYBMUJFWSA-N 0 3 300.402 3.815 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccccc1[O-] ZINC000156348924 1038046075 /nfs/dbraw/zinc/04/60/75/1038046075.db2.gz GITHLZMTBPBJGQ-SUMDDJOVSA-N 0 3 313.441 3.988 20 10 DHCDHN C[C@@H](NCc1cnc(C2CC2)s1)c1ccc(N(C)C)cc1 ZINC000775363920 1038275254 /nfs/dbraw/zinc/27/52/54/1038275254.db2.gz NNEMCNXBDFOLAW-GFCCVEGCSA-N 0 3 301.459 3.937 20 10 DHCDHN Cc1cccc2ncc(CN[C@H](C)c3ccc(N(C)C)cc3)n21 ZINC000775363891 1038275890 /nfs/dbraw/zinc/27/58/90/1038275890.db2.gz NGCILRUCKMEESS-OAHLLOKOSA-N 0 3 308.429 3.560 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000775410914 1038381585 /nfs/dbraw/zinc/38/15/85/1038381585.db2.gz CHINDTWAHYUWTM-NVXWUHKLSA-N 0 3 305.805 3.820 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000775487602 1038556394 /nfs/dbraw/zinc/55/63/94/1038556394.db2.gz LJWPFDPZYWEJJK-ZWKOTPCHSA-N 0 3 304.478 3.943 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1[O-] ZINC000775526199 1038644406 /nfs/dbraw/zinc/64/44/06/1038644406.db2.gz OTMHKLFKBBPQGP-XRGAULLZSA-N 0 3 309.500 3.813 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000775539258 1038681293 /nfs/dbraw/zinc/68/12/93/1038681293.db2.gz DKTODSMWZCOUBK-HLCARVAJSA-N 0 3 319.445 3.755 20 10 DHCDHN CC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])NC(=O)OC(C)(C)C ZINC000227713130 1040368707 /nfs/dbraw/zinc/36/87/07/1040368707.db2.gz BVXKRQHVKPKFAD-UONOGXRCSA-N 0 3 322.449 3.655 20 10 DHCDHN CCC[N@H+](Cc1c(C)nn(CC)c1C)Cc1ccccc1[O-] ZINC000092704990 185334295 /nfs/dbraw/zinc/33/42/95/185334295.db2.gz MYOIJOLURXFFNV-UHFFFAOYSA-N 0 3 301.434 3.638 20 10 DHCDHN CCC[N@@H+](Cc1c(C)nn(CC)c1C)Cc1ccccc1[O-] ZINC000092704990 185334296 /nfs/dbraw/zinc/33/42/96/185334296.db2.gz MYOIJOLURXFFNV-UHFFFAOYSA-N 0 3 301.434 3.638 20 10 DHCDHN CCN(Cc1cccc(OC)c1O)[C@H](C)c1cccc(O)c1 ZINC000091975176 193135031 /nfs/dbraw/zinc/13/50/31/193135031.db2.gz YNJMLFRGEDNBFP-CYBMUJFWSA-N 0 3 301.386 3.690 20 10 DHCDHN CCCO[C@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])CC1 ZINC000093317108 193230278 /nfs/dbraw/zinc/23/02/78/193230278.db2.gz GJTXSHMVFQLNHP-INIZCTEOSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCO[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])CC1 ZINC000093317108 193230280 /nfs/dbraw/zinc/23/02/80/193230280.db2.gz GJTXSHMVFQLNHP-INIZCTEOSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000105461256 194104417 /nfs/dbraw/zinc/10/44/17/194104417.db2.gz DQLXBEUBDCQGFP-CYBMUJFWSA-N 0 3 301.386 3.737 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000273496212 130129233 /nfs/dbraw/zinc/12/92/33/130129233.db2.gz PFCAJDCJARFCSW-YEZLUTFDSA-N 0 3 321.417 3.681 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c([O-])c1C ZINC000273582525 130141109 /nfs/dbraw/zinc/14/11/09/130141109.db2.gz NAYYEFSENIJBTC-HNNXBMFYSA-N 0 3 302.462 3.677 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccccc1[O-] ZINC000274760433 130259682 /nfs/dbraw/zinc/25/96/82/130259682.db2.gz JXOMKQVGSHXOMZ-IRXDYDNUSA-N 0 3 313.397 3.965 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000274933713 130275187 /nfs/dbraw/zinc/27/51/87/130275187.db2.gz LLLOGIGXXXZUIE-NSHGMRRFSA-N 0 3 323.436 3.593 20 10 DHCDHN Cc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[O-] ZINC000284215487 131060379 /nfs/dbraw/zinc/06/03/79/131060379.db2.gz CMJOHGZAILRORR-OCCSQVGLSA-N 0 3 300.229 3.716 20 10 DHCDHN Cc1cccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[O-] ZINC000284215487 131060381 /nfs/dbraw/zinc/06/03/81/131060381.db2.gz CMJOHGZAILRORR-OCCSQVGLSA-N 0 3 300.229 3.716 20 10 DHCDHN Cc1noc([C@H]2CCCN2Cc2c(O)ccc3ccccc32)n1 ZINC000285206624 131147298 /nfs/dbraw/zinc/14/72/98/131147298.db2.gz SZDXLKGQHYWXIF-MRXNPFEDSA-N 0 3 309.369 3.574 20 10 DHCDHN C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289860128 131426511 /nfs/dbraw/zinc/42/65/11/131426511.db2.gz QXQWQNJWUQWFNK-YVEFUNNKSA-N 0 3 303.427 3.592 20 10 DHCDHN C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473597 132017700 /nfs/dbraw/zinc/01/77/00/132017700.db2.gz YSRMJSHMOTYEFG-RHSMWYFYSA-N 0 3 319.408 3.916 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000297962704 132042301 /nfs/dbraw/zinc/04/23/01/132042301.db2.gz ZIMWULSENYMMCU-QGZVFWFLSA-N 0 3 309.409 3.958 20 10 DHCDHN C[C@@H](NCc1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000128933696 332015821 /nfs/dbraw/zinc/01/58/21/332015821.db2.gz ICLBLODCFWGAMS-MRXNPFEDSA-N 0 3 320.440 3.789 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000176981182 332966725 /nfs/dbraw/zinc/96/67/25/332966725.db2.gz AFUDNAHMVWUAAY-XJKSGUPXSA-N 0 3 318.392 3.612 20 10 DHCDHN COc1cccc(CNCc2cc(C3CC3)ccc2F)c1O ZINC000295179738 335130635 /nfs/dbraw/zinc/13/06/35/335130635.db2.gz VMERFGBZQVRCSZ-UHFFFAOYSA-N 0 3 301.361 3.707 20 10 DHCDHN CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccccc1[O-] ZINC000120653067 333304739 /nfs/dbraw/zinc/30/47/39/333304739.db2.gz BDIMLQKTWYLHEC-MRXNPFEDSA-N 0 3 309.413 3.791 20 10 DHCDHN Cc1cccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1[O-] ZINC000295940032 335138778 /nfs/dbraw/zinc/13/87/78/335138778.db2.gz GQVKYRHQPRESPJ-INIZCTEOSA-N 0 3 305.443 3.612 20 10 DHCDHN CC[N@H+](CCc1cccs1)Cc1cc(OC)c(OC)cc1[O-] ZINC000271091851 334018523 /nfs/dbraw/zinc/01/85/23/334018523.db2.gz LIMUYQBHKVRXLL-UHFFFAOYSA-N 0 3 321.442 3.536 20 10 DHCDHN CC[N@@H+](CCc1cccs1)Cc1cc(OC)c(OC)cc1[O-] ZINC000271091851 334018525 /nfs/dbraw/zinc/01/85/25/334018525.db2.gz LIMUYQBHKVRXLL-UHFFFAOYSA-N 0 3 321.442 3.536 20 10 DHCDHN CN(C)c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000292804188 334192634 /nfs/dbraw/zinc/19/26/34/334192634.db2.gz RQHZKXRZDLZMDH-FQEVSTJZSA-N 0 3 324.468 3.746 20 10 DHCDHN COc1ccncc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000294402946 334209308 /nfs/dbraw/zinc/20/93/08/334209308.db2.gz SOVHTYGIQWRVIB-CYBMUJFWSA-N 0 3 312.413 3.525 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000370222026 336880001 /nfs/dbraw/zinc/88/00/01/336880001.db2.gz KDAYJMOXOUZXQT-GOEBONIOSA-N 0 3 319.445 3.600 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000370222023 336880025 /nfs/dbraw/zinc/88/00/25/336880025.db2.gz KDAYJMOXOUZXQT-GDBMZVCRSA-N 0 3 319.445 3.600 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1[O-] ZINC000360001967 337083583 /nfs/dbraw/zinc/08/35/83/337083583.db2.gz XCPHFAYWTZFIAX-CQSZACIVSA-N 0 3 307.397 3.644 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125220 337203153 /nfs/dbraw/zinc/20/31/53/337203153.db2.gz KRBIOMVZHDVCLR-OAHLLOKOSA-N 0 3 307.397 3.737 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000248948871 337568884 /nfs/dbraw/zinc/56/88/84/337568884.db2.gz ZPUQMEWBMFHFMB-WSXQUGQNSA-N 0 3 315.457 3.879 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c([O-])c1 ZINC000527952703 337774109 /nfs/dbraw/zinc/77/41/09/337774109.db2.gz VFMYTIWHYIDBFC-RDJZCZTQSA-N 0 3 302.462 3.758 20 10 DHCDHN COc1ccc(C(C)(C)[NH2+]Cc2cccc(C)c2[O-])cc1F ZINC000529654516 340766938 /nfs/dbraw/zinc/76/69/38/340766938.db2.gz WLXHYVJFGUZUJJ-UHFFFAOYSA-N 0 3 303.377 3.873 20 10 DHCDHN CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)c1cnn(C)c1 ZINC000158695228 522648322 /nfs/dbraw/zinc/64/83/22/522648322.db2.gz KVNXLSMEELWBRA-KRWDZBQOSA-N 0 3 318.440 3.646 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccccc1[O-] ZINC000364365930 522722764 /nfs/dbraw/zinc/72/27/64/522722764.db2.gz UBFLXWNUMFENHF-DLBZAZTESA-N 0 3 313.397 3.965 20 10 DHCDHN COc1cc(O)c(CN([C@H](C)c2ccco2)C2CC2)cc1OC ZINC000179849993 522772997 /nfs/dbraw/zinc/77/29/97/522772997.db2.gz LJGLAHKQHPSEBQ-GFCCVEGCSA-N 0 3 317.385 3.728 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)c1 ZINC000185661039 524772068 /nfs/dbraw/zinc/77/20/68/524772068.db2.gz BWOFTOUBBCHHRD-KBXCAEBGSA-N 0 3 314.429 3.886 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000192785165 525363526 /nfs/dbraw/zinc/36/35/26/525363526.db2.gz WJBJYXLXJNNDCU-UONOGXRCSA-N 0 3 313.397 3.884 20 10 DHCDHN COc1cccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1[O-] ZINC000237374161 526017206 /nfs/dbraw/zinc/01/72/06/526017206.db2.gz RCNWPEHKJLIRSK-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN CN(C)Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000299659958 535998524 /nfs/dbraw/zinc/99/85/24/535998524.db2.gz MYDKPBZQNDXHHP-UHFFFAOYSA-N 0 3 323.440 3.601 20 10 DHCDHN Oc1ccccc1CNCc1cc(Br)ccc1F ZINC000041069157 1013079265 /nfs/dbraw/zinc/07/92/65/1013079265.db2.gz XUHFGVNKJGRHTB-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1[O-] ZINC000154915922 1013084411 /nfs/dbraw/zinc/08/44/11/1013084411.db2.gz ZIMLTHLOCFBOOX-KSSFIOAISA-N 0 3 322.412 3.775 20 10 DHCDHN C[C@H](NCc1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000846860173 1032096229 /nfs/dbraw/zinc/09/62/29/1032096229.db2.gz HCVXHBQJJDYOIQ-NSHDSACASA-N 0 3 307.800 3.791 20 10 DHCDHN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276141525 1014715857 /nfs/dbraw/zinc/71/58/57/1014715857.db2.gz NMAAIOGYIREYSN-GARJFASQSA-N 0 3 316.239 3.537 20 10 DHCDHN CN(C)c1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1F ZINC000280969113 1015812565 /nfs/dbraw/zinc/81/25/65/1015812565.db2.gz VIKPSKMGYMMXSG-IBGZPJMESA-N 0 3 313.420 3.918 20 10 DHCDHN Cc1noc(C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])c2ccccc2)n1 ZINC000277178447 1016015060 /nfs/dbraw/zinc/01/50/60/1016015060.db2.gz SSJKXRBKIZNQTE-SUMWQHHRSA-N 0 3 323.396 3.718 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccc(Br)cn1)c1ccccc1O ZINC000281199217 1016396053 /nfs/dbraw/zinc/39/60/53/1016396053.db2.gz RVLQJULTVODPOW-MNOVXSKESA-N 0 3 321.218 3.962 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1[O-] ZINC000281199217 1016396057 /nfs/dbraw/zinc/39/60/57/1016396057.db2.gz RVLQJULTVODPOW-MNOVXSKESA-N 0 3 321.218 3.962 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000184998668 1016489962 /nfs/dbraw/zinc/48/99/62/1016489962.db2.gz YRARBMVJBWRLHP-IRXDYDNUSA-N 0 3 310.441 3.878 20 10 DHCDHN COc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1F ZINC000185333405 1016864385 /nfs/dbraw/zinc/86/43/85/1016864385.db2.gz NPAZEYWKCDYJJP-LLVKDONJSA-N 0 3 307.340 3.572 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCCSc2nccs2)c([O-])c1 ZINC000185490028 1016946092 /nfs/dbraw/zinc/94/60/92/1016946092.db2.gz WVMRPQZWMSTFTO-GFCCVEGCSA-N 0 3 308.472 3.990 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c([O-])c1 ZINC000185576373 1017019290 /nfs/dbraw/zinc/01/92/90/1017019290.db2.gz LEDFLZQZNJYCDH-KBPBESRZSA-N 0 3 303.377 3.958 20 10 DHCDHN COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185580471 1017027924 /nfs/dbraw/zinc/02/79/24/1017027924.db2.gz WMVXXNQKYTXGLQ-CHWSQXEVSA-N 0 3 319.376 3.658 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000192916799 1017229455 /nfs/dbraw/zinc/22/94/55/1017229455.db2.gz SMFBEPYVSHJOBD-NVXWUHKLSA-N 0 3 314.429 3.781 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000192916808 1017229798 /nfs/dbraw/zinc/22/97/98/1017229798.db2.gz SMFBEPYVSHJOBD-DOTOQJQBSA-N 0 3 314.429 3.781 20 10 DHCDHN COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccccc1[O-])CC2 ZINC001171295166 1032271077 /nfs/dbraw/zinc/27/10/77/1032271077.db2.gz UUFSIXVDJSOJFU-ZDUSSCGKSA-N 0 3 317.816 3.701 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)ccc1N(C)C ZINC000772996722 1032451025 /nfs/dbraw/zinc/45/10/25/1032451025.db2.gz GTBZXUUCTNBENM-HNNXBMFYSA-N 0 3 300.450 3.689 20 10 DHCDHN Cc1n[nH]cc1CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773011980 1032526133 /nfs/dbraw/zinc/52/61/33/1032526133.db2.gz BSMATPHUYLUWOV-OAHLLOKOSA-N 0 3 312.461 3.949 20 10 DHCDHN CN(C)Cc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171402819 1032588150 /nfs/dbraw/zinc/58/81/50/1032588150.db2.gz SMMGJRKFCRONDK-UHFFFAOYSA-N 0 3 307.397 3.614 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C)cc2OC)c1 ZINC000185714809 1017124730 /nfs/dbraw/zinc/12/47/30/1017124730.db2.gz MQUKOBUVYCKERX-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000716296091 1032693507 /nfs/dbraw/zinc/69/35/07/1032693507.db2.gz KBNUQDGOGDEDBG-IGEOTXOUSA-N 0 3 315.388 3.930 20 10 DHCDHN C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1cc(F)ccc1[O-] ZINC000186033943 1017649584 /nfs/dbraw/zinc/64/95/84/1017649584.db2.gz SMIXGAVMUSVHFI-NSHDSACASA-N 0 3 320.433 3.760 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000926915828 1032732834 /nfs/dbraw/zinc/73/28/34/1032732834.db2.gz MAWFGJDFIHPCEB-HUBLWGQQSA-N 0 3 317.351 3.851 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)[nH]n1 ZINC000766085977 1018221395 /nfs/dbraw/zinc/22/13/95/1018221395.db2.gz XIKDGHLHJWPSFL-MRXNPFEDSA-N 0 3 312.461 3.949 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)n[nH]1 ZINC000766085977 1018221405 /nfs/dbraw/zinc/22/14/05/1018221405.db2.gz XIKDGHLHJWPSFL-MRXNPFEDSA-N 0 3 312.461 3.949 20 10 DHCDHN CCOc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)c([O-])c1 ZINC000923024464 1018988138 /nfs/dbraw/zinc/98/81/38/1018988138.db2.gz GJMUKHRGJMHZOU-LJQANCHMSA-N 0 3 313.397 3.578 20 10 DHCDHN Cc1ccc([C@H](C)NCc2cccnc2OC(C)C)c(O)c1 ZINC000386989866 1019038739 /nfs/dbraw/zinc/03/87/39/1019038739.db2.gz FKHXQBAYLXZUJO-AWEZNQCLSA-N 0 3 300.402 3.734 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000318187607 1019093728 /nfs/dbraw/zinc/09/37/28/1019093728.db2.gz QRZAQYXXXXTKAI-CYBMUJFWSA-N 0 3 300.358 3.768 20 10 DHCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC2(CCCCC2)O1 ZINC001171636111 1032836590 /nfs/dbraw/zinc/83/65/90/1032836590.db2.gz LGBXUDMUEPHMHR-MRXNPFEDSA-N 0 3 302.462 3.676 20 10 DHCDHN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(cc1O)CCC2 ZINC000727429364 1019712598 /nfs/dbraw/zinc/71/25/98/1019712598.db2.gz JRSRSKVXTWJAGM-BTYIYWSLSA-N 0 3 323.436 3.843 20 10 DHCDHN CCC[N@H+](Cc1cccc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000727831004 1019817833 /nfs/dbraw/zinc/81/78/33/1019817833.db2.gz BLDCVTRHNKUYGP-UHFFFAOYSA-N 0 3 313.397 3.591 20 10 DHCDHN CCC[N@@H+](Cc1cccc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000727831004 1019817851 /nfs/dbraw/zinc/81/78/51/1019817851.db2.gz BLDCVTRHNKUYGP-UHFFFAOYSA-N 0 3 313.397 3.591 20 10 DHCDHN Cn1cncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294510108 1020039301 /nfs/dbraw/zinc/03/93/01/1020039301.db2.gz YRRXBSRIPPQEKW-LJQANCHMSA-N 0 3 321.424 3.589 20 10 DHCDHN CCOc1ccc(C[NH2+]CCc2ccc3ncccc3c2)c([O-])c1 ZINC000922474067 1020092616 /nfs/dbraw/zinc/09/26/16/1020092616.db2.gz WAOPCUWPFYVEKJ-UHFFFAOYSA-N 0 3 322.408 3.671 20 10 DHCDHN Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cnn1C ZINC001117503429 1020179311 /nfs/dbraw/zinc/17/93/11/1020179311.db2.gz GYRJRBBMDZXBPT-WDEREUQCSA-N 0 3 307.825 3.808 20 10 DHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000733334298 1020375557 /nfs/dbraw/zinc/37/55/57/1020375557.db2.gz FDEUDPINYRRISP-MRXNPFEDSA-N 0 3 308.853 3.542 20 10 DHCDHN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000858496872 1032924175 /nfs/dbraw/zinc/92/41/75/1032924175.db2.gz WAYWOLZWUFDRGU-CQSZACIVSA-N 0 3 312.413 3.534 20 10 DHCDHN CCOc1ccccc1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000917479130 1021270393 /nfs/dbraw/zinc/27/03/93/1021270393.db2.gz HEVZUUKBJMCRGG-UHFFFAOYSA-N 0 3 311.425 3.912 20 10 DHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCS1 ZINC000743400704 1021285506 /nfs/dbraw/zinc/28/55/06/1021285506.db2.gz QUWQPTCRPGFOHU-OAHLLOKOSA-N 0 3 317.454 3.881 20 10 DHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCS1 ZINC000743400704 1021285513 /nfs/dbraw/zinc/28/55/13/1021285513.db2.gz QUWQPTCRPGFOHU-OAHLLOKOSA-N 0 3 317.454 3.881 20 10 DHCDHN C[C@H](O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420622 1021522611 /nfs/dbraw/zinc/52/26/11/1021522611.db2.gz PXYMFRILTRHXQJ-UWJYYQICSA-N 0 3 324.468 3.889 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850481319 1021557674 /nfs/dbraw/zinc/55/76/74/1021557674.db2.gz JGBHHLWVVSAFFT-YRGRVCCFSA-N 0 3 306.425 3.542 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccccc1[O-] ZINC000850501692 1021564426 /nfs/dbraw/zinc/56/44/26/1021564426.db2.gz PRPQQESNJCGXHV-QGZVFWFLSA-N 0 3 311.429 3.628 20 10 DHCDHN C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000850523085 1021575527 /nfs/dbraw/zinc/57/55/27/1021575527.db2.gz YBJHUVJQVIIQKB-NHYWBVRUSA-N 0 3 319.351 3.715 20 10 DHCDHN CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000850553655 1021600242 /nfs/dbraw/zinc/60/02/42/1021600242.db2.gz AANYIQUINAAYER-MJXNMMHHSA-N 0 3 317.404 3.940 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000293954481 1021696737 /nfs/dbraw/zinc/69/67/37/1021696737.db2.gz ZMVUKVDUKGIVRI-VELGLUOQSA-N 0 3 323.436 3.976 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000183451619 1022147505 /nfs/dbraw/zinc/14/75/05/1022147505.db2.gz CBZWRGQPCPIKPL-HUUCEWRRSA-N 0 3 324.424 3.931 20 10 DHCDHN COc1cc([O-])c(C[N@H+](C(C)C)C2CCCCC2)cc1OC ZINC000183503858 1022156435 /nfs/dbraw/zinc/15/64/35/1022156435.db2.gz HFUMXRMAWOXFAK-UHFFFAOYSA-N 0 3 307.434 3.953 20 10 DHCDHN COc1cc([O-])c(C[N@@H+](C(C)C)C2CCCCC2)cc1OC ZINC000183503858 1022156444 /nfs/dbraw/zinc/15/64/44/1022156444.db2.gz HFUMXRMAWOXFAK-UHFFFAOYSA-N 0 3 307.434 3.953 20 10 DHCDHN C[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1[O-] ZINC000853240156 1022241621 /nfs/dbraw/zinc/24/16/21/1022241621.db2.gz GZRAWZCFXPWAGU-BBRMVZONSA-N 0 3 319.445 3.801 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccnc(Cl)c1 ZINC000122939935 1022312227 /nfs/dbraw/zinc/31/22/27/1022312227.db2.gz KISJYEKCRIJCHO-CYBMUJFWSA-N 0 3 315.848 3.968 20 10 DHCDHN CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000185228252 1022467733 /nfs/dbraw/zinc/46/77/33/1022467733.db2.gz XVMRLGLVQARBMC-BBRMVZONSA-N 0 3 320.408 3.858 20 10 DHCDHN O=C(C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000179586926 1022476031 /nfs/dbraw/zinc/47/60/31/1022476031.db2.gz CGPXUMMEOZWVED-KRWDZBQOSA-N 0 3 313.372 3.769 20 10 DHCDHN O=C(C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000179586926 1022476036 /nfs/dbraw/zinc/47/60/36/1022476036.db2.gz CGPXUMMEOZWVED-KRWDZBQOSA-N 0 3 313.372 3.769 20 10 DHCDHN Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179895722 1022568092 /nfs/dbraw/zinc/56/80/92/1022568092.db2.gz FZVHVSNFQJAJFL-YJBOKZPZSA-N 0 3 324.424 3.547 20 10 DHCDHN Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179895766 1022568745 /nfs/dbraw/zinc/56/87/45/1022568745.db2.gz FZVHVSNFQJAJFL-CRAIPNDOSA-N 0 3 324.424 3.547 20 10 DHCDHN CCC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1[O-] ZINC000103479485 1022594066 /nfs/dbraw/zinc/59/40/66/1022594066.db2.gz FJQXAKUWJIABHM-UHFFFAOYSA-N 0 3 312.413 3.633 20 10 DHCDHN CCC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1[O-] ZINC000103479485 1022594072 /nfs/dbraw/zinc/59/40/72/1022594072.db2.gz FJQXAKUWJIABHM-UHFFFAOYSA-N 0 3 312.413 3.633 20 10 DHCDHN COCCCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000179991128 1022605508 /nfs/dbraw/zinc/60/55/08/1022605508.db2.gz WONSYQPGHZCVFC-UHFFFAOYSA-N 0 3 317.404 3.960 20 10 DHCDHN COCCCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000179991128 1022605517 /nfs/dbraw/zinc/60/55/17/1022605517.db2.gz WONSYQPGHZCVFC-UHFFFAOYSA-N 0 3 317.404 3.960 20 10 DHCDHN Cc1ccc(O)c(CN2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000768145097 1022896914 /nfs/dbraw/zinc/89/69/14/1022896914.db2.gz XCUBLJAWBONBKT-YVMONPNESA-N 0 3 322.452 3.532 20 10 DHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc2c1OCO2 ZINC000768134268 1022902428 /nfs/dbraw/zinc/90/24/28/1022902428.db2.gz RAEGWDKVNRMVEY-UHFFFAOYSA-N 0 3 312.413 3.503 20 10 DHCDHN CCOc1cccc(CN(C)Cc2ccc(OC)c(F)c2)c1O ZINC000768199359 1022913500 /nfs/dbraw/zinc/91/35/00/1022913500.db2.gz HJKIQHSGQZQNIE-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c(OC)c1 ZINC000323909037 1022947212 /nfs/dbraw/zinc/94/72/12/1022947212.db2.gz RUTOXLPZKQJRRB-LRDDRELGSA-N 0 3 313.397 3.748 20 10 DHCDHN CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295999102 1023000133 /nfs/dbraw/zinc/00/01/33/1023000133.db2.gz ODMZARVBORXSDX-PXAZEXFGSA-N 0 3 310.397 3.689 20 10 DHCDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2ccccc2c1[O-] ZINC000296599683 1023012870 /nfs/dbraw/zinc/01/28/70/1023012870.db2.gz VMOAWEQRIDSMJR-HZTRTUMWSA-N 0 3 310.441 3.821 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])C[C@@H]1CCCCO1 ZINC000769339471 1023128958 /nfs/dbraw/zinc/12/89/58/1023128958.db2.gz PYJWEKFRVSUBMT-KRWDZBQOSA-N 0 3 307.434 3.572 20 10 DHCDHN CCC[N@H+](Cc1ccc(OCC)cc1[O-])C[C@@H]1CCCCO1 ZINC000769339471 1023128961 /nfs/dbraw/zinc/12/89/61/1023128961.db2.gz PYJWEKFRVSUBMT-KRWDZBQOSA-N 0 3 307.434 3.572 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(F)c2)c([O-])c1 ZINC000756606834 1023162916 /nfs/dbraw/zinc/16/29/16/1023162916.db2.gz DQUYFNBDEORENZ-UONOGXRCSA-N 0 3 303.377 3.958 20 10 DHCDHN CCC[N@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769471640 1023163376 /nfs/dbraw/zinc/16/33/76/1023163376.db2.gz WXBWJRMFSIDTEK-JQHSSLGASA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769471640 1023163381 /nfs/dbraw/zinc/16/33/81/1023163381.db2.gz WXBWJRMFSIDTEK-JQHSSLGASA-N 0 3 303.446 3.726 20 10 DHCDHN CN1CCc2cc(CNCc3cc(F)cc4cccnc43)ccc21 ZINC000364452948 1023189996 /nfs/dbraw/zinc/18/99/96/1023189996.db2.gz XYEMUVQCJQJAPF-UHFFFAOYSA-N 0 3 321.399 3.656 20 10 DHCDHN CCC[N@H+](Cc1ccc2nccnc2c1)Cc1ccccc1[O-] ZINC000876654469 1033115378 /nfs/dbraw/zinc/11/53/78/1033115378.db2.gz GUUCDYQXUPLWGU-UHFFFAOYSA-N 0 3 307.397 3.748 20 10 DHCDHN CCC[N@@H+](Cc1ccc2nccnc2c1)Cc1ccccc1[O-] ZINC000876654469 1033115384 /nfs/dbraw/zinc/11/53/84/1033115384.db2.gz GUUCDYQXUPLWGU-UHFFFAOYSA-N 0 3 307.397 3.748 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000770741043 1023347088 /nfs/dbraw/zinc/34/70/88/1023347088.db2.gz JHIYMIDBHOMACR-UHFFFAOYSA-N 0 3 315.388 3.652 20 10 DHCDHN Cc1ccc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876795596 1033142988 /nfs/dbraw/zinc/14/29/88/1033142988.db2.gz ROEFLMMHCZHDEU-JLCFBVMHSA-N 0 3 317.454 3.631 20 10 DHCDHN Cc1ccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876795595 1033143662 /nfs/dbraw/zinc/14/36/62/1033143662.db2.gz ROEFLMMHCZHDEU-FPTDNZKUSA-N 0 3 317.454 3.631 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c([O-])c1 ZINC000785988318 1023648519 /nfs/dbraw/zinc/64/85/19/1023648519.db2.gz KWCJHERXZZUZOQ-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c([O-])c1 ZINC000785988318 1023648523 /nfs/dbraw/zinc/64/85/23/1023648523.db2.gz KWCJHERXZZUZOQ-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]Cc2cccc3cc[nH]c32)c1[O-] ZINC000786579150 1023708940 /nfs/dbraw/zinc/70/89/40/1023708940.db2.gz ODUODIDSIURPRL-UHFFFAOYSA-N 0 3 316.788 3.825 20 10 DHCDHN CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000786949070 1023740136 /nfs/dbraw/zinc/74/01/36/1023740136.db2.gz IBRWXVIYNHEAJC-HLUHBDAQSA-N 0 3 321.314 3.637 20 10 DHCDHN CCN(CC)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788497852 1023894832 /nfs/dbraw/zinc/89/48/32/1023894832.db2.gz KMAYMHKMLABWQH-GFCCVEGCSA-N 0 3 318.383 3.794 20 10 DHCDHN COC[C@@H](NCc1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000194101445 1023987114 /nfs/dbraw/zinc/98/71/14/1023987114.db2.gz BCGNJUPLAQQYMV-MRXNPFEDSA-N 0 3 321.804 3.532 20 10 DHCDHN CCOCc1cc(CN[C@@H](C)c2cccc(O)c2)ccc1OC ZINC000195454293 1024033510 /nfs/dbraw/zinc/03/35/10/1024033510.db2.gz AOHGXGTYPRKVOJ-AWEZNQCLSA-N 0 3 315.413 3.788 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCc3c2cnn3C)cc1 ZINC000268844108 1024176391 /nfs/dbraw/zinc/17/63/91/1024176391.db2.gz VAAMNXXJLAZMBW-KDOFPFPSSA-N 0 3 312.461 3.604 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(Cl)c1N ZINC000877031207 1033212533 /nfs/dbraw/zinc/21/25/33/1033212533.db2.gz OUNXGNGNQMPFJV-UHFFFAOYSA-N 0 3 303.837 3.586 20 10 DHCDHN CCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000133227739 1024587135 /nfs/dbraw/zinc/58/71/35/1024587135.db2.gz JNYOUMHUKQMZNC-UHFFFAOYSA-N 0 3 314.223 3.538 20 10 DHCDHN CCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000133227739 1024587151 /nfs/dbraw/zinc/58/71/51/1024587151.db2.gz JNYOUMHUKQMZNC-UHFFFAOYSA-N 0 3 314.223 3.538 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000877063200 1033222744 /nfs/dbraw/zinc/22/27/44/1033222744.db2.gz GFTDFHPKPHWIBH-MAUKXSAKSA-N 0 3 321.367 3.581 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793745831 1025163494 /nfs/dbraw/zinc/16/34/94/1025163494.db2.gz TZRUDCMJCDJQBJ-QGZVFWFLSA-N 0 3 311.425 3.794 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793745831 1025163497 /nfs/dbraw/zinc/16/34/97/1025163497.db2.gz TZRUDCMJCDJQBJ-QGZVFWFLSA-N 0 3 311.425 3.794 20 10 DHCDHN Cc1cccc(O)c1CNCc1nc2ccccc2n1C1CC1 ZINC000877350016 1033286911 /nfs/dbraw/zinc/28/69/11/1033286911.db2.gz GLIPFRQAVKSMTH-UHFFFAOYSA-N 0 3 307.397 3.675 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(C)cc1[O-] ZINC000279933186 1025510936 /nfs/dbraw/zinc/51/09/36/1025510936.db2.gz AWHMHYXNNHQRIP-WMZOPIPTSA-N 0 3 303.377 3.614 20 10 DHCDHN COc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2[O-])c1OC ZINC000886186123 1025550567 /nfs/dbraw/zinc/55/05/67/1025550567.db2.gz QKZSUHDDCWLZOW-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN CCC[N@H+](Cc1ccc2oc(=O)oc2c1)Cc1ccccc1[O-] ZINC000893984428 1025642954 /nfs/dbraw/zinc/64/29/54/1025642954.db2.gz ONYDJYOVCDIMTH-UHFFFAOYSA-N 0 3 313.353 3.504 20 10 DHCDHN CCC[N@@H+](Cc1ccc2oc(=O)oc2c1)Cc1ccccc1[O-] ZINC000893984428 1025642960 /nfs/dbraw/zinc/64/29/60/1025642960.db2.gz ONYDJYOVCDIMTH-UHFFFAOYSA-N 0 3 313.353 3.504 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132734 1025777789 /nfs/dbraw/zinc/77/77/89/1025777789.db2.gz YYYXNOGWZJCEAN-XJKSGUPXSA-N 0 3 310.869 3.818 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513452 1026056449 /nfs/dbraw/zinc/05/64/49/1026056449.db2.gz JPAJVCKLBYYBIF-AWEZNQCLSA-N 0 3 313.401 3.902 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(O)cc2)c1[O-] ZINC000808682316 1026348394 /nfs/dbraw/zinc/34/83/94/1026348394.db2.gz OGNZKWNDAMLXGM-LBPRGKRZSA-N 0 3 305.805 3.953 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000808675366 1026353841 /nfs/dbraw/zinc/35/38/41/1026353841.db2.gz DQORIXCLMYVXIP-XHDPSFHLSA-N 0 3 319.836 3.816 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C)cc1[O-] ZINC000279972220 1026357390 /nfs/dbraw/zinc/35/73/90/1026357390.db2.gz DAWWECXGIWMCAO-KRWDZBQOSA-N 0 3 322.412 3.522 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1[O-] ZINC000808727755 1026358878 /nfs/dbraw/zinc/35/88/78/1026358878.db2.gz JMMRHXFOJDIUEH-NVXWUHKLSA-N 0 3 315.388 3.884 20 10 DHCDHN Cc1cccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808717356 1026365111 /nfs/dbraw/zinc/36/51/11/1026365111.db2.gz CQXNUCNIAMBAMH-ZDUSSCGKSA-N 0 3 304.821 3.951 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1[O-] ZINC000808699410 1026372409 /nfs/dbraw/zinc/37/24/09/1026372409.db2.gz YBYGKNHSXIJMFD-NSHDSACASA-N 0 3 313.825 3.736 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1[O-] ZINC000808699407 1026373324 /nfs/dbraw/zinc/37/33/24/1026373324.db2.gz YBYGKNHSXIJMFD-LLVKDONJSA-N 0 3 313.825 3.736 20 10 DHCDHN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])o1 ZINC000808699152 1026375252 /nfs/dbraw/zinc/37/52/52/1026375252.db2.gz UKSKLSBREDLSTA-RISCZKNCSA-N 0 3 309.793 3.640 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CSCCS2)c1[O-] ZINC000808702258 1026376061 /nfs/dbraw/zinc/37/60/61/1026376061.db2.gz URDAVAWXYLCULP-CMPLNLGQSA-N 0 3 317.907 3.853 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C(C)(C)O)cc1 ZINC000924901685 1026489480 /nfs/dbraw/zinc/48/94/80/1026489480.db2.gz SXOPUPNGESZFCN-AWEZNQCLSA-N 0 3 311.425 3.700 20 10 DHCDHN Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809701569 1026590007 /nfs/dbraw/zinc/59/00/07/1026590007.db2.gz GVZJUTRCSQZNII-SCLBCKFNSA-N 0 3 319.832 3.874 20 10 DHCDHN COc1ccc(O)c(CN2Cc3ccccc3OC(C)(C)C2)c1 ZINC000809789817 1026627481 /nfs/dbraw/zinc/62/74/81/1026627481.db2.gz ICHIDKZXZPQINK-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000810245324 1026730123 /nfs/dbraw/zinc/73/01/23/1026730123.db2.gz YXUIZZPSDBOWNU-UMVBOHGHSA-N 0 3 308.441 3.790 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(C)cc1[O-] ZINC000812738734 1027381518 /nfs/dbraw/zinc/38/15/18/1027381518.db2.gz ZVSJIEWQAHKHHZ-KRWDZBQOSA-N 0 3 309.413 3.828 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811479 1027439338 /nfs/dbraw/zinc/43/93/38/1027439338.db2.gz ACKAQQLBMTZZEJ-CVEARBPZSA-N 0 3 301.430 3.851 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000296525463 1027661073 /nfs/dbraw/zinc/66/10/73/1027661073.db2.gz RIFHVFJXAODJBY-SCTDSRPQSA-N 0 3 309.409 3.889 20 10 DHCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(F)ccc1[O-] ZINC000778995335 1027733980 /nfs/dbraw/zinc/73/39/80/1027733980.db2.gz VEPRHCUSSACJRE-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(F)ccc1[O-] ZINC000778995335 1027733998 /nfs/dbraw/zinc/73/39/98/1027733998.db2.gz VEPRHCUSSACJRE-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000813883495 1027749716 /nfs/dbraw/zinc/74/97/16/1027749716.db2.gz NRKMDCHWOMYVFA-YOEHRIQHSA-N 0 3 314.404 3.851 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000779001283 1027752031 /nfs/dbraw/zinc/75/20/31/1027752031.db2.gz DZVRXESVPUHIBI-AZUAARDMSA-N 0 3 311.425 3.992 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000779001283 1027752042 /nfs/dbraw/zinc/75/20/42/1027752042.db2.gz DZVRXESVPUHIBI-AZUAARDMSA-N 0 3 311.425 3.992 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)CC2 ZINC000297083230 1027792164 /nfs/dbraw/zinc/79/21/64/1027792164.db2.gz WXKFBUFGHZTVJK-HNNXBMFYSA-N 0 3 319.351 3.813 20 10 DHCDHN CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779021167 1027870285 /nfs/dbraw/zinc/87/02/85/1027870285.db2.gz XOGQEJHXKJPFHC-GOSISDBHSA-N 0 3 314.404 3.934 20 10 DHCDHN CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779021167 1027870296 /nfs/dbraw/zinc/87/02/96/1027870296.db2.gz XOGQEJHXKJPFHC-GOSISDBHSA-N 0 3 314.404 3.934 20 10 DHCDHN Oc1ccc(F)cc1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000779028829 1027927139 /nfs/dbraw/zinc/92/71/39/1027927139.db2.gz BOPODFDJZWZPJX-CQSZACIVSA-N 0 3 321.779 3.838 20 10 DHCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])OC)c1 ZINC000527923894 1027951742 /nfs/dbraw/zinc/95/17/42/1027951742.db2.gz FDKQIPSPAQXUED-KUHUBIRLSA-N 0 3 315.413 3.748 20 10 DHCDHN CC[C@@H](NCc1cnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000367439384 1028185629 /nfs/dbraw/zinc/18/56/29/1028185629.db2.gz UFNWLGFZIAKBTG-GOSISDBHSA-N 0 3 312.461 3.526 20 10 DHCDHN Cc1ccc([C@@H](C)NC2(C(=O)Nc3ccccc3)CC2)c(O)c1C ZINC000779082153 1028194970 /nfs/dbraw/zinc/19/49/70/1028194970.db2.gz JAQAQIOALYUJGS-OAHLLOKOSA-N 0 3 324.424 3.831 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000779091898 1028224134 /nfs/dbraw/zinc/22/41/34/1028224134.db2.gz YZFHDZAZAJZZMV-PWSUYJOCSA-N 0 3 305.315 3.990 20 10 DHCDHN CCOc1cccc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)c1O ZINC000367958430 1028266242 /nfs/dbraw/zinc/26/62/42/1028266242.db2.gz QYWZZCNUKLBLCQ-DIFFPNOSSA-N 0 3 317.360 3.542 20 10 DHCDHN Cc1cccnc1C1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000368259629 1028326305 /nfs/dbraw/zinc/32/63/05/1028326305.db2.gz KVHHFCHWTZHZID-CYBMUJFWSA-N 0 3 300.377 3.617 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815150005 1028405087 /nfs/dbraw/zinc/40/50/87/1028405087.db2.gz JGOBHINULKGWGM-ZDUSSCGKSA-N 0 3 311.360 3.568 20 10 DHCDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000779148311 1028425483 /nfs/dbraw/zinc/42/54/83/1028425483.db2.gz BZBHKYPSRBSSIH-SJKOYZFVSA-N 0 3 305.805 3.911 20 10 DHCDHN CC[C@H](N[C@@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769917 1028527045 /nfs/dbraw/zinc/52/70/45/1028527045.db2.gz CRTNFDAHPAQUGT-KSSFIOAISA-N 0 3 313.445 3.958 20 10 DHCDHN CC[C@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582692 1028554921 /nfs/dbraw/zinc/55/49/21/1028554921.db2.gz MXOFFTSHSZFCNY-IEBWSBKVSA-N 0 3 313.441 3.817 20 10 DHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cc[nH]c(=O)c1 ZINC000815643161 1028589200 /nfs/dbraw/zinc/58/92/00/1028589200.db2.gz VONGIPHOIDKXFS-BREBYQMCSA-N 0 3 302.349 3.531 20 10 DHCDHN COCC1(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642346 1028589952 /nfs/dbraw/zinc/58/99/52/1028589952.db2.gz ZMQXVBPPNGWBME-JSGCOSHPSA-N 0 3 307.409 3.876 20 10 DHCDHN CC[N@H+](Cc1cccc(OC)c1[O-])[C@@H](C)Cc1ccsc1 ZINC000190259134 1028863785 /nfs/dbraw/zinc/86/37/85/1028863785.db2.gz QOURYKIPHYAFPU-ZDUSSCGKSA-N 0 3 305.443 3.915 20 10 DHCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H](C)Cc1ccsc1 ZINC000190259134 1028863801 /nfs/dbraw/zinc/86/38/01/1028863801.db2.gz QOURYKIPHYAFPU-ZDUSSCGKSA-N 0 3 305.443 3.915 20 10 DHCDHN Cc1nccn1CCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553342 1028942329 /nfs/dbraw/zinc/94/23/29/1028942329.db2.gz RKHSMMZDGHQKST-UHFFFAOYSA-N 0 3 309.413 3.620 20 10 DHCDHN C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610048 1028959249 /nfs/dbraw/zinc/95/92/49/1028959249.db2.gz WKUOGVJKJDFBCF-BEFAXECRSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610048 1028959262 /nfs/dbraw/zinc/95/92/62/1028959262.db2.gz WKUOGVJKJDFBCF-BEFAXECRSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610049 1028960359 /nfs/dbraw/zinc/96/03/59/1028960359.db2.gz WKUOGVJKJDFBCF-DNVCBOLYSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610049 1028960368 /nfs/dbraw/zinc/96/03/68/1028960368.db2.gz WKUOGVJKJDFBCF-DNVCBOLYSA-N 0 3 310.441 3.604 20 10 DHCDHN Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1cc(F)ccc1[O-] ZINC000373563663 1029079679 /nfs/dbraw/zinc/07/96/79/1029079679.db2.gz POUFJJJALGGQPU-NSHDSACASA-N 0 3 306.406 3.506 20 10 DHCDHN Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1cc(F)ccc1[O-] ZINC000373563661 1029080803 /nfs/dbraw/zinc/08/08/03/1029080803.db2.gz POUFJJJALGGQPU-LLVKDONJSA-N 0 3 306.406 3.506 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC23CCSCC3)c1[O-] ZINC000817410288 1029150646 /nfs/dbraw/zinc/15/06/46/1029150646.db2.gz KWLSMQSAPSCRCK-CYBMUJFWSA-N 0 3 311.878 3.977 20 10 DHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000155358758 1029227300 /nfs/dbraw/zinc/22/73/00/1029227300.db2.gz JTFHZOYWKOPTQD-GJZGRUSLSA-N 0 3 300.402 3.528 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1[O-] ZINC000817967214 1029308051 /nfs/dbraw/zinc/30/80/51/1029308051.db2.gz FQAUKAVIWUORKA-PIGZYNQJSA-N 0 3 300.377 3.842 20 10 DHCDHN C[C@H](NCc1ccc(C(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000865531330 1029903235 /nfs/dbraw/zinc/90/32/35/1029903235.db2.gz IGYACVVQZRAHCI-LBPRGKRZSA-N 0 3 305.372 3.936 20 10 DHCDHN COC[C@@H](NCc1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000290187396 1029936033 /nfs/dbraw/zinc/93/60/33/1029936033.db2.gz OHSHIMTUQMIFBP-OAHLLOKOSA-N 0 3 309.768 3.662 20 10 DHCDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(Cl)c1 ZINC000290187396 1029936045 /nfs/dbraw/zinc/93/60/45/1029936045.db2.gz OHSHIMTUQMIFBP-OAHLLOKOSA-N 0 3 309.768 3.662 20 10 DHCDHN CN(Cc1cccs1)c1ccc(CN2CCCOCC2)cc1 ZINC000823414534 1030270283 /nfs/dbraw/zinc/27/02/83/1030270283.db2.gz UTOVWFPCVQGIQG-UHFFFAOYSA-N 0 3 316.470 3.607 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000121107311 1030344455 /nfs/dbraw/zinc/34/44/55/1030344455.db2.gz OHPXZFXWMCYMKM-GOSISDBHSA-N 0 3 307.397 3.819 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000291153351 1030366968 /nfs/dbraw/zinc/36/69/68/1030366968.db2.gz IMPJDBIOYDGLCJ-GJZGRUSLSA-N 0 3 314.404 3.708 20 10 DHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000866612973 1030403323 /nfs/dbraw/zinc/40/33/23/1030403323.db2.gz QAZNJUPKUNANDY-HZPDHXFCSA-N 0 3 312.461 3.822 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1[O-] ZINC000866641046 1030418898 /nfs/dbraw/zinc/41/88/98/1030418898.db2.gz MUDKCLNSEUIGCJ-INIZCTEOSA-N 0 3 312.413 3.613 20 10 DHCDHN Fc1c(Cl)nccc1CNCCCSc1nccs1 ZINC000823937790 1030439183 /nfs/dbraw/zinc/43/91/83/1030439183.db2.gz JRLNTJLCGPEPJJ-UHFFFAOYSA-N 0 3 317.842 3.603 20 10 DHCDHN CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824870878 1030666946 /nfs/dbraw/zinc/66/69/46/1030666946.db2.gz YGBLHAZGSNDESV-CQSZACIVSA-N 0 3 310.869 3.518 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1[O-] ZINC000825090544 1030723826 /nfs/dbraw/zinc/72/38/26/1030723826.db2.gz BMILHDIEHFTBAU-SIXWZSSISA-N 0 3 312.413 3.748 20 10 DHCDHN COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2)c1 ZINC000825090791 1030724040 /nfs/dbraw/zinc/72/40/40/1030724040.db2.gz IACGPECMFJXFSD-SAZUREKKSA-N 0 3 301.361 3.576 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000926906729 1030982273 /nfs/dbraw/zinc/98/22/73/1030982273.db2.gz YTRAPBCUSSERNX-HUBLWGQQSA-N 0 3 317.351 3.851 20 10 DHCDHN CC[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926905893 1030982314 /nfs/dbraw/zinc/98/23/14/1030982314.db2.gz QZVFRUXXOWDAEP-CORIIIEPSA-N 0 3 317.351 3.933 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c1[O-] ZINC000927101252 1031088019 /nfs/dbraw/zinc/08/80/19/1031088019.db2.gz KYPXXTJEYZRXRC-LLVKDONJSA-N 0 3 319.836 3.816 20 10 DHCDHN CCOc1cccc(CN[C@H]2c3cccc(F)c3O[C@@H]2C)c1O ZINC000360348242 1031390010 /nfs/dbraw/zinc/39/00/10/1031390010.db2.gz XBHGASWCSXQEKR-BDJLRTHQSA-N 0 3 317.360 3.542 20 10 DHCDHN Cn1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000293258369 1031401084 /nfs/dbraw/zinc/40/10/84/1031401084.db2.gz BXLIJNRCHVRJNR-IBGZPJMESA-N 0 3 321.424 3.589 20 10 DHCDHN Cn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000293258373 1031401458 /nfs/dbraw/zinc/40/14/58/1031401458.db2.gz BXLIJNRCHVRJNR-LJQANCHMSA-N 0 3 321.424 3.589 20 10 DHCDHN Cc1ccc2nc(CN[C@H](C)c3c(C)cc(C)cc3O)cn2c1 ZINC000293586014 1031528641 /nfs/dbraw/zinc/52/86/41/1031528641.db2.gz FETMQBYVWODIRY-OAHLLOKOSA-N 0 3 309.413 3.816 20 10 DHCDHN CN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000293758323 1031606284 /nfs/dbraw/zinc/60/62/84/1031606284.db2.gz OTMVCSIEKSJJNB-FQEVSTJZSA-N 0 3 324.468 3.750 20 10 DHCDHN CN(C)c1ncc(C[N@H+](C)Cc2ccccc2[O-])c2ccccc21 ZINC000929975898 1031665507 /nfs/dbraw/zinc/66/55/07/1031665507.db2.gz KBSDPQINRCTZGM-UHFFFAOYSA-N 0 3 321.424 3.638 20 10 DHCDHN CN(C)c1ncc(C[N@@H+](C)Cc2ccccc2[O-])c2ccccc21 ZINC000929975898 1031665510 /nfs/dbraw/zinc/66/55/10/1031665510.db2.gz KBSDPQINRCTZGM-UHFFFAOYSA-N 0 3 321.424 3.638 20 10 DHCDHN COc1ccc(CNCc2ccc(C)cc2)cc1Cn1cccn1 ZINC000873007662 1031690690 /nfs/dbraw/zinc/69/06/90/1031690690.db2.gz ZAQVBROPGBTEOF-UHFFFAOYSA-N 0 3 321.424 3.538 20 10 DHCDHN CCCCN(Cc1ccccc1O)[C@H](C)c1snnc1C ZINC000930350965 1031788602 /nfs/dbraw/zinc/78/86/02/1031788602.db2.gz KWDIHLKHYDYDNY-CYBMUJFWSA-N 0 3 305.447 3.915 20 10 DHCDHN CC[C@H](NCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000845992333 1031793662 /nfs/dbraw/zinc/79/36/62/1031793662.db2.gz JBKMDLQFRNEPIS-ZDUSSCGKSA-N 0 3 302.443 3.968 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000294104621 1031801816 /nfs/dbraw/zinc/80/18/16/1031801816.db2.gz JQNIWGABRKADET-LJQANCHMSA-N 0 3 321.424 3.622 20 10 DHCDHN CCOc1ccccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846148118 1031883989 /nfs/dbraw/zinc/88/39/89/1031883989.db2.gz ZPWOMHZMYUIKNQ-CYBMUJFWSA-N 0 3 301.386 3.650 20 10 DHCDHN CC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158422 1031889462 /nfs/dbraw/zinc/88/94/62/1031889462.db2.gz YGPGLSBFCCMPLN-IINYFYTJSA-N 0 3 304.390 3.808 20 10 DHCDHN COc1cccc([C@@H](C)NC2(c3ccccc3OC)CC2)c1O ZINC000846172822 1031896834 /nfs/dbraw/zinc/89/68/34/1031896834.db2.gz MTAWUPXZJSQYPI-CYBMUJFWSA-N 0 3 313.397 3.749 20 10 DHCDHN Cc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846184488 1031916203 /nfs/dbraw/zinc/91/62/03/1031916203.db2.gz SENSKZWEOKGZMQ-ZJNRKIDTSA-N 0 3 303.377 3.612 20 10 DHCDHN Cc1cnc(C2CC[NH+](Cc3c(C)cccc3[O-])CC2)s1 ZINC000877477927 1033312822 /nfs/dbraw/zinc/31/28/22/1033312822.db2.gz INEPOXNLPZAEDT-UHFFFAOYSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1ccc(CN[C@@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000877491877 1033323019 /nfs/dbraw/zinc/32/30/19/1033323019.db2.gz PYGDWUBZUQPKOP-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN CCOc1cccc(CNC2(c3cccc(OC)c3)CC2)c1O ZINC000150885333 1033391224 /nfs/dbraw/zinc/39/12/24/1033391224.db2.gz DJZQLYFKMUKPPI-UHFFFAOYSA-N 0 3 313.397 3.578 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OC1CC1 ZINC000877755457 1033431290 /nfs/dbraw/zinc/43/12/90/1033431290.db2.gz BNXYXTBJIVPJIK-CYBMUJFWSA-N 0 3 313.397 3.793 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(OC(F)F)c1 ZINC000877756351 1033434254 /nfs/dbraw/zinc/43/42/54/1033434254.db2.gz IEVLSERJNLEHKL-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756518 1033434269 /nfs/dbraw/zinc/43/42/69/1033434269.db2.gz OWZLDLRCJWVCKN-LSDHHAIUSA-N 0 3 312.413 3.769 20 10 DHCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1SC ZINC000877757111 1033435012 /nfs/dbraw/zinc/43/50/12/1033435012.db2.gz GZNVZJKKKYUQBT-LBPRGKRZSA-N 0 3 303.427 3.974 20 10 DHCDHN COc1cc(Cl)c(CN[C@H](C)c2ccccc2O)cc1OC ZINC000877757896 1033436130 /nfs/dbraw/zinc/43/61/30/1033436130.db2.gz YIYZEIDQBNGCRZ-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN CCOc1cc(CN[C@@H](C)c2ccccc2O)c(F)cc1OC ZINC000877757975 1033436140 /nfs/dbraw/zinc/43/61/40/1033436140.db2.gz BFHITYNZNWXFOB-LBPRGKRZSA-N 0 3 319.376 3.789 20 10 DHCDHN C[C@H](NCc1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000152200721 1033507614 /nfs/dbraw/zinc/50/76/14/1033507614.db2.gz YNLYZJYEZGPSTJ-INIZCTEOSA-N 0 3 312.461 3.651 20 10 DHCDHN COc1cc(CN2CC3(CC(F)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000826114409 1034062646 /nfs/dbraw/zinc/06/26/46/1034062646.db2.gz YXOSQEVUQCWIJH-UHFFFAOYSA-N 0 3 307.409 3.632 20 10 DHCDHN COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183534386 1034396310 /nfs/dbraw/zinc/39/63/10/1034396310.db2.gz HPWDEDJPSAFJMP-UONOGXRCSA-N 0 3 301.386 3.519 20 10 DHCDHN COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183535069 1034397161 /nfs/dbraw/zinc/39/71/61/1034397161.db2.gz RXVFLERGFJHAAO-ZIAGYGMSSA-N 0 3 301.386 3.519 20 10 DHCDHN COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183597749 1034401000 /nfs/dbraw/zinc/40/10/00/1034401000.db2.gz SJCWTXLBFZQNTB-RHSMWYFYSA-N 0 3 313.397 3.737 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000183625101 1034405411 /nfs/dbraw/zinc/40/54/11/1034405411.db2.gz FHFQPYNXWPZCRA-YJBOKZPZSA-N 0 3 313.441 3.845 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1[O-] ZINC000794801768 1034472867 /nfs/dbraw/zinc/47/28/67/1034472867.db2.gz KZWKEFBJAYDQAD-WMZOPIPTSA-N 0 3 311.429 3.917 20 10 DHCDHN CC[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(C)cc1[O-] ZINC000794804869 1034479538 /nfs/dbraw/zinc/47/95/38/1034479538.db2.gz VSSKWQKEWCCWNC-SFHVURJKSA-N 0 3 321.461 3.575 20 10 DHCDHN CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794805568 1034490892 /nfs/dbraw/zinc/49/08/92/1034490892.db2.gz XGRJWSGWMNZAIG-KRWDZBQOSA-N 0 3 318.461 3.532 20 10 DHCDHN CC[C@H]([NH2+][C@@H](COC)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794805564 1034491700 /nfs/dbraw/zinc/49/17/00/1034491700.db2.gz XGCDWAOABFEBAE-MJGOQNOKSA-N 0 3 313.441 3.999 20 10 DHCDHN CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794807226 1034493292 /nfs/dbraw/zinc/49/32/92/1034493292.db2.gz LBBFEYHFZMRPML-OAHLLOKOSA-N 0 3 322.449 3.656 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000184918291 1034513664 /nfs/dbraw/zinc/51/36/64/1034513664.db2.gz CYQRQLXDNWVXDC-SJCJKPOMSA-N 0 3 305.805 3.738 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000794814764 1034525381 /nfs/dbraw/zinc/52/53/81/1034525381.db2.gz IMRYFUHXAINBCW-VGSWGCGISA-N 0 3 317.454 3.679 20 10 DHCDHN C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185104588 1034527024 /nfs/dbraw/zinc/52/70/24/1034527024.db2.gz DNTUWKSKVXAYFG-AWEZNQCLSA-N 0 3 314.404 3.851 20 10 DHCDHN C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cc(F)ccc1[O-] ZINC000185152170 1034533485 /nfs/dbraw/zinc/53/34/85/1034533485.db2.gz GLWZWPITLORCKM-GFCCVEGCSA-N 0 3 313.376 3.691 20 10 DHCDHN C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000185312698 1034540415 /nfs/dbraw/zinc/54/04/15/1034540415.db2.gz JFFIUNDREUQBKU-YVEFUNNKSA-N 0 3 305.805 3.604 20 10 DHCDHN CCOc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1OC ZINC000185452928 1034549464 /nfs/dbraw/zinc/54/94/64/1034549464.db2.gz JMHBKGUCYWJJEB-AWEZNQCLSA-N 0 3 315.413 3.959 20 10 DHCDHN CC[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(C)cc1[O-] ZINC000794829685 1034550689 /nfs/dbraw/zinc/55/06/89/1034550689.db2.gz VWSMQLKXPAYRIE-MRXNPFEDSA-N 0 3 303.446 3.684 20 10 DHCDHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185838998 1034577807 /nfs/dbraw/zinc/57/78/07/1034577807.db2.gz HXVYSFSTMKQRHR-OAVHHTNSSA-N 0 3 321.367 3.833 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([O-])c1 ZINC000186355121 1034623666 /nfs/dbraw/zinc/62/36/66/1034623666.db2.gz JORVAEMCUIDHKX-IKICRFKJSA-N 0 3 301.430 3.699 20 10 DHCDHN C[C@H](NCc1ccnn1CC1CCC1)c1ccc(N(C)C)cc1 ZINC000865531049 1034694843 /nfs/dbraw/zinc/69/48/43/1034694843.db2.gz FLKWUCQAAJHAJQ-HNNXBMFYSA-N 0 3 312.461 3.600 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000191854512 1034766022 /nfs/dbraw/zinc/76/60/22/1034766022.db2.gz SFTOWVSIRIKKLS-RFUYNDQBSA-N 0 3 315.388 3.960 20 10 DHCDHN CCOCc1cc(CN[C@H](C)c2cccc(O)c2)ccc1OC ZINC000192366009 1034798206 /nfs/dbraw/zinc/79/82/06/1034798206.db2.gz AOHGXGTYPRKVOJ-CQSZACIVSA-N 0 3 315.413 3.788 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2N(C)C)c1[O-] ZINC000777483851 1034811668 /nfs/dbraw/zinc/81/16/68/1034811668.db2.gz GJHVQEWOJGQEBN-UHFFFAOYSA-N 0 3 304.821 3.710 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000194415184 1035138041 /nfs/dbraw/zinc/13/80/41/1035138041.db2.gz BPCJGZZYGNYUKI-ZDUSSCGKSA-N 0 3 300.358 3.502 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccccc1[O-] ZINC000797134477 1035490270 /nfs/dbraw/zinc/49/02/70/1035490270.db2.gz SMKAOANRSWIDRR-VGSWGCGISA-N 0 3 317.454 3.512 20 10 DHCDHN Cc1cc(O)c(CN2CCC[C@@H]2c2ccnn2C)cc1C(C)C ZINC000905739812 1035635018 /nfs/dbraw/zinc/63/50/18/1035635018.db2.gz JBFNPXLEXKFGRF-GOSISDBHSA-N 0 3 313.445 3.895 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001204278878 1035742872 /nfs/dbraw/zinc/74/28/72/1035742872.db2.gz LMJOHLNKWCYUEA-ZDUSSCGKSA-N 0 3 303.789 3.741 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001204278878 1035742888 /nfs/dbraw/zinc/74/28/88/1035742888.db2.gz LMJOHLNKWCYUEA-ZDUSSCGKSA-N 0 3 303.789 3.741 20 10 DHCDHN COCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC(C)C ZINC000914783633 1036332115 /nfs/dbraw/zinc/33/21/15/1036332115.db2.gz FLXVVAJCRPLNJL-UHFFFAOYSA-N 0 3 317.429 3.658 20 10 DHCDHN COCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC(C)C ZINC000914783633 1036332131 /nfs/dbraw/zinc/33/21/31/1036332131.db2.gz FLXVVAJCRPLNJL-UHFFFAOYSA-N 0 3 317.429 3.658 20 10 DHCDHN CCc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])s1 ZINC000230934081 1036411059 /nfs/dbraw/zinc/41/10/59/1036411059.db2.gz INIOAFQOOODPNW-UHFFFAOYSA-N 0 3 311.834 3.968 20 10 DHCDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000151653396 1036590555 /nfs/dbraw/zinc/59/05/55/1036590555.db2.gz QTHBWPBMVKTEEH-HNNXBMFYSA-N 0 3 322.449 3.565 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(C(=O)C(F)(F)F)c1)c1ccccc1[O-] ZINC001197004227 1036666450 /nfs/dbraw/zinc/66/64/50/1036666450.db2.gz QOEIGHXOZZZDHE-NSHDSACASA-N 0 3 323.314 3.988 20 10 DHCDHN Cc1cc(CNCc2c[nH]nc2C)c(C)n1-c1cccc(C)c1 ZINC000915229702 1036723185 /nfs/dbraw/zinc/72/31/85/1036723185.db2.gz MTPNUQMTPPWSII-UHFFFAOYSA-N 0 3 308.429 3.724 20 10 DHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000776001794 1037295273 /nfs/dbraw/zinc/29/52/73/1037295273.db2.gz BOJIDLZYHNUEFP-DLBZAZTESA-N 0 3 311.425 3.992 20 10 DHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000776001794 1037295293 /nfs/dbraw/zinc/29/52/93/1037295293.db2.gz BOJIDLZYHNUEFP-DLBZAZTESA-N 0 3 311.425 3.992 20 10 DHCDHN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776222639 1037923006 /nfs/dbraw/zinc/92/30/06/1037923006.db2.gz OTCITLVUIWPSIB-UHFFFAOYSA-N 0 3 313.825 3.566 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccccc1[O-] ZINC000775522461 1038633824 /nfs/dbraw/zinc/63/38/24/1038633824.db2.gz QFSAEGWDCBMGQA-GDBMZVCRSA-N 0 3 321.486 3.878 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(Br)s1 ZINC000226583673 1039725138 /nfs/dbraw/zinc/72/51/38/1039725138.db2.gz FVLUVFBIQZTCJA-UHFFFAOYSA-N 0 3 316.195 3.645 20 10 DHCDHN COc1cccc(CN(C)Cc2cc(Cl)cc(OC)c2O)c1 ZINC000761185805 1040507291 /nfs/dbraw/zinc/50/72/91/1040507291.db2.gz YLVJLWWIAYXCMM-UHFFFAOYSA-N 0 3 321.804 3.695 20 10 DHCDHN COc1cccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000761185805 1040507310 /nfs/dbraw/zinc/50/73/10/1040507310.db2.gz YLVJLWWIAYXCMM-UHFFFAOYSA-N 0 3 321.804 3.695 20 10 DHCDHN COc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000761185805 1040507328 /nfs/dbraw/zinc/50/73/28/1040507328.db2.gz YLVJLWWIAYXCMM-UHFFFAOYSA-N 0 3 321.804 3.695 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2ccccc2F)c1[O-] ZINC000761192506 1040555929 /nfs/dbraw/zinc/55/59/29/1040555929.db2.gz PGSJSVNFXGFXQI-UHFFFAOYSA-N 0 3 323.795 3.868 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2ccccc2F)c1[O-] ZINC000761192506 1040555937 /nfs/dbraw/zinc/55/59/37/1040555937.db2.gz PGSJSVNFXGFXQI-UHFFFAOYSA-N 0 3 323.795 3.868 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1[O-] ZINC000761203925 1040577098 /nfs/dbraw/zinc/57/70/98/1040577098.db2.gz ZMHGWUAKQYWEQJ-INIZCTEOSA-N 0 3 317.816 3.871 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1[O-] ZINC000761203925 1040577105 /nfs/dbraw/zinc/57/71/05/1040577105.db2.gz ZMHGWUAKQYWEQJ-INIZCTEOSA-N 0 3 317.816 3.871 20 10 DHCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccco3)C2)cc1 ZINC000174621032 1040780240 /nfs/dbraw/zinc/78/02/40/1040780240.db2.gz MNVKVZSOAVNGGR-CYBMUJFWSA-N 0 3 322.355 3.640 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CCc2ccco2)c1[O-] ZINC000228668810 1041045574 /nfs/dbraw/zinc/04/55/74/1041045574.db2.gz OAUMUHXIXVPVEH-LLVKDONJSA-N 0 3 309.793 3.758 20 10 DHCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OC(C)(C)C)CC2)c1 ZINC000092454342 185319409 /nfs/dbraw/zinc/31/94/09/185319409.db2.gz ULEZJBNNJMZSEQ-UHFFFAOYSA-N 0 3 307.434 3.570 20 10 DHCDHN CCOc1ccc(O)c(CN2CCC(OC(C)(C)C)CC2)c1 ZINC000092454342 185319410 /nfs/dbraw/zinc/31/94/10/185319410.db2.gz ULEZJBNNJMZSEQ-UHFFFAOYSA-N 0 3 307.434 3.570 20 10 DHCDHN CCC[N@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1[O-] ZINC000092704991 185334009 /nfs/dbraw/zinc/33/40/09/185334009.db2.gz WENVEFJNMSRJFV-UHFFFAOYSA-N 0 3 301.386 3.519 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1[O-] ZINC000092704991 185334010 /nfs/dbraw/zinc/33/40/10/185334010.db2.gz WENVEFJNMSRJFV-UHFFFAOYSA-N 0 3 301.386 3.519 20 10 DHCDHN CCC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1[O-] ZINC000092705040 185334421 /nfs/dbraw/zinc/33/44/21/185334421.db2.gz ZEUARNVKKPGMHJ-UHFFFAOYSA-N 0 3 322.412 3.590 20 10 DHCDHN CCC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1[O-] ZINC000092705040 185334422 /nfs/dbraw/zinc/33/44/22/185334422.db2.gz ZEUARNVKKPGMHJ-UHFFFAOYSA-N 0 3 322.412 3.590 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c([O-])c1C ZINC000273297212 130103902 /nfs/dbraw/zinc/10/39/02/130103902.db2.gz AIKJDBBRBVOQRO-DYVFJYSZSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c([O-])c1C ZINC000273401887 130117329 /nfs/dbraw/zinc/11/73/29/130117329.db2.gz NJDMZPKTBUIAGH-CYBMUJFWSA-N 0 3 318.383 3.544 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273423071 130119632 /nfs/dbraw/zinc/11/96/32/130119632.db2.gz SNFDHOYVPKKCIM-SUMWQHHRSA-N 0 3 303.377 3.532 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1[O-] ZINC000273515528 130130759 /nfs/dbraw/zinc/13/07/59/130130759.db2.gz SNAOSQWFAQVIJL-SJKOYZFVSA-N 0 3 307.397 3.997 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1[O-] ZINC000273515518 130131323 /nfs/dbraw/zinc/13/13/23/130131323.db2.gz SNAOSQWFAQVIJL-SJCJKPOMSA-N 0 3 307.397 3.997 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273609086 130143038 /nfs/dbraw/zinc/14/30/38/130143038.db2.gz VCTKPEGUWMVMMS-ZIAGYGMSSA-N 0 3 324.424 3.631 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000273623200 130147290 /nfs/dbraw/zinc/14/72/90/130147290.db2.gz ZTENZXPWBITLMY-CYBMUJFWSA-N 0 3 300.358 3.502 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1F ZINC000283990341 131038321 /nfs/dbraw/zinc/03/83/21/131038321.db2.gz HGWYHTAPIGTQLD-GOSISDBHSA-N 0 3 314.404 3.765 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000284195549 131057904 /nfs/dbraw/zinc/05/79/04/131057904.db2.gz RWLOFQOGFPJIHT-CXAGYDPISA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[O-] ZINC000284215479 131059772 /nfs/dbraw/zinc/05/97/72/131059772.db2.gz CMJOHGZAILRORR-GXTWGEPZSA-N 0 3 300.229 3.716 20 10 DHCDHN Cc1cccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[O-] ZINC000284215479 131059774 /nfs/dbraw/zinc/05/97/74/131059774.db2.gz CMJOHGZAILRORR-GXTWGEPZSA-N 0 3 300.229 3.716 20 10 DHCDHN CCc1noc(CC)c1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000284313308 131069767 /nfs/dbraw/zinc/06/97/67/131069767.db2.gz ZINUMWIQQRPODZ-ZDUSSCGKSA-N 0 3 302.418 3.973 20 10 DHCDHN CCCOc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c([O-])c1 ZINC000285196194 131146534 /nfs/dbraw/zinc/14/65/34/131146534.db2.gz QRJVMCHWBDETLN-UHFFFAOYSA-N 0 3 319.445 3.574 20 10 DHCDHN COC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000286931975 131256857 /nfs/dbraw/zinc/25/68/57/131256857.db2.gz ASPAFMYANLQFAC-CYBMUJFWSA-N 0 3 314.385 3.730 20 10 DHCDHN Cc1ccc(O)c(CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000288569367 131331238 /nfs/dbraw/zinc/33/12/38/131331238.db2.gz ZOTWUAYOLBTSQV-INIZCTEOSA-N 0 3 305.805 3.567 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000288569367 131331239 /nfs/dbraw/zinc/33/12/39/131331239.db2.gz ZOTWUAYOLBTSQV-INIZCTEOSA-N 0 3 305.805 3.567 20 10 DHCDHN COC[C@H](NCc1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000288653965 131333847 /nfs/dbraw/zinc/33/38/47/131333847.db2.gz VGIMTJCSDMPZIB-HNNXBMFYSA-N 0 3 321.804 3.532 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC000297263989 132006303 /nfs/dbraw/zinc/00/63/03/132006303.db2.gz KELQICQMWVWKLE-ZDUSSCGKSA-N 0 3 323.314 3.910 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2OC(F)F)c1 ZINC000120502416 132144512 /nfs/dbraw/zinc/14/45/12/132144512.db2.gz PUQSQIPSSCKKDT-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN CC(C)(O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294299682 335120770 /nfs/dbraw/zinc/12/07/70/335120770.db2.gz NFHLQKSQMRMHTF-GOSISDBHSA-N 0 3 313.441 3.817 20 10 DHCDHN COc1cc(O)c(CNCc2ccc(C(F)F)cc2)cc1OC ZINC000184987830 333203132 /nfs/dbraw/zinc/20/31/32/333203132.db2.gz CZEJRJFHROIJQU-UHFFFAOYSA-N 0 3 323.339 3.637 20 10 DHCDHN COc1cc([O-])c(C[NH2+]Cc2ccc(C(F)F)cc2)cc1OC ZINC000184987830 333203133 /nfs/dbraw/zinc/20/31/33/333203133.db2.gz CZEJRJFHROIJQU-UHFFFAOYSA-N 0 3 323.339 3.637 20 10 DHCDHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000192692065 333291558 /nfs/dbraw/zinc/29/15/58/333291558.db2.gz RHBVVYPMMXAXKU-QWRGUYRKSA-N 0 3 317.260 3.691 20 10 DHCDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCc3cccc(O)c32)c1 ZINC000296999543 335150654 /nfs/dbraw/zinc/15/06/54/335150654.db2.gz STFFRJKKJIVZTQ-CQSZACIVSA-N 0 3 318.760 3.731 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000368483848 336845869 /nfs/dbraw/zinc/84/58/69/336845869.db2.gz VEJXRUOABFLJHG-RVPKQNPDSA-N 0 3 317.360 3.713 20 10 DHCDHN C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000368814904 336853262 /nfs/dbraw/zinc/85/32/62/336853262.db2.gz XHRXWACQEJDRKQ-ZUEVXXBESA-N 0 3 315.388 3.960 20 10 DHCDHN C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000368814902 336853358 /nfs/dbraw/zinc/85/33/58/336853358.db2.gz XHRXWACQEJDRKQ-RFUYNDQBSA-N 0 3 315.388 3.960 20 10 DHCDHN COc1cccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c1[O-] ZINC000375133907 337004229 /nfs/dbraw/zinc/00/42/29/337004229.db2.gz FHUSDVZWLDXFCY-UHFFFAOYSA-N 0 3 320.392 3.753 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCc2cnc(C(C)C)nc2C1 ZINC000375343947 337008560 /nfs/dbraw/zinc/00/85/60/337008560.db2.gz ZYODFCFYINNICQ-KRWDZBQOSA-N 0 3 311.429 3.815 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1 ZINC000375531018 337012895 /nfs/dbraw/zinc/01/28/95/337012895.db2.gz YQSVPCQJJPXCPG-ZHALLVOQSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1 ZINC000375531018 337012896 /nfs/dbraw/zinc/01/28/96/337012896.db2.gz YQSVPCQJJPXCPG-ZHALLVOQSA-N 0 3 303.446 3.606 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(C)cc1[O-] ZINC000377139105 337047486 /nfs/dbraw/zinc/04/74/86/337047486.db2.gz HVTXWEGFRUIBKJ-KRWDZBQOSA-N 0 3 322.412 3.522 20 10 DHCDHN Cc1cnc([C@@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)s1 ZINC000378352643 337070834 /nfs/dbraw/zinc/07/08/34/337070834.db2.gz YVVRJXABIIABNT-CQSZACIVSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1cnc([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)s1 ZINC000378352643 337070835 /nfs/dbraw/zinc/07/08/35/337070835.db2.gz YVVRJXABIIABNT-CQSZACIVSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125235 337203189 /nfs/dbraw/zinc/20/31/89/337203189.db2.gz KRBIOMVZHDVCLR-HNNXBMFYSA-N 0 3 307.397 3.737 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000248487115 337565582 /nfs/dbraw/zinc/56/55/82/337565582.db2.gz FZRQREJQATUFLP-JFTQMJAMSA-N 0 3 301.430 3.699 20 10 DHCDHN COc1ccc([C@H](NCc2ccc(OC)c(C)c2)C2CC2)cn1 ZINC000527840865 337767988 /nfs/dbraw/zinc/76/79/88/337767988.db2.gz KJISROOQMKHUMV-LJQANCHMSA-N 0 3 312.413 3.648 20 10 DHCDHN CCc1nc(C)c([C@@H](C)N(C)Cc2cc(OC)ccc2O)s1 ZINC000180406809 522219123 /nfs/dbraw/zinc/21/91/23/522219123.db2.gz RBNAJKAXNKSWFJ-GFCCVEGCSA-N 0 3 320.458 3.921 20 10 DHCDHN CC[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156443893 522601404 /nfs/dbraw/zinc/60/14/04/522601404.db2.gz UXJLCVFAAKDOBX-HOCLYGCPSA-N 0 3 310.397 3.559 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[O-] ZINC000157457657 522727758 /nfs/dbraw/zinc/72/77/58/522727758.db2.gz CBDRYYUHWUMERX-ONIAQPFYSA-N 0 3 301.430 3.781 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1[O-] ZINC000364909077 522923936 /nfs/dbraw/zinc/92/39/36/522923936.db2.gz RZRWVOBEXSOSHD-QZTJIDSGSA-N 0 3 324.424 3.931 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000156409125 522943841 /nfs/dbraw/zinc/94/38/41/522943841.db2.gz VWINWMIWAZZQSK-QZTJIDSGSA-N 0 3 315.413 3.565 20 10 DHCDHN COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000237249335 523982411 /nfs/dbraw/zinc/98/24/11/523982411.db2.gz NVYZZQZWNXLFIL-CQSZACIVSA-N 0 3 315.413 3.520 20 10 DHCDHN Cc1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1[O-] ZINC000367733164 524391016 /nfs/dbraw/zinc/39/10/16/524391016.db2.gz ZVBXWKFSUCQDMY-HXUWFJFHSA-N 0 3 311.425 3.646 20 10 DHCDHN Cc1cccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1[O-] ZINC000182478810 524429101 /nfs/dbraw/zinc/42/91/01/524429101.db2.gz BTKBDHRKQBYBQV-UHFFFAOYSA-N 0 3 315.388 3.635 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1 ZINC000181384355 524749027 /nfs/dbraw/zinc/74/90/27/524749027.db2.gz OUVBZZRJIHOCNG-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000191193039 525533775 /nfs/dbraw/zinc/53/37/75/525533775.db2.gz UKDLHEXDDOLJHB-GFCCVEGCSA-N 0 3 320.383 3.583 20 10 DHCDHN Cc1c([C@@H](C)NCc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000160541455 525898316 /nfs/dbraw/zinc/89/83/16/525898316.db2.gz SHEUBINELCCUPU-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCCC2)o1 ZINC000183480039 525961610 /nfs/dbraw/zinc/96/16/10/525961610.db2.gz OEDIXOUXBJMODD-WBVHZDCISA-N 0 3 314.429 3.781 20 10 DHCDHN C[C@@H](c1ccccc1)N(Cc1cnn(C)c1)Cc1ccccc1O ZINC000176680681 526089085 /nfs/dbraw/zinc/08/90/85/526089085.db2.gz ADRYJHODJZMJSK-INIZCTEOSA-N 0 3 321.424 3.889 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(CO)o1)C1CCCCC1 ZINC000156780235 527632360 /nfs/dbraw/zinc/63/23/60/527632360.db2.gz UPQKLGIYDVWJJM-UHFFFAOYSA-N 0 3 315.413 3.812 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(CO)o1)C1CCCCC1 ZINC000156780235 527632367 /nfs/dbraw/zinc/63/23/67/527632367.db2.gz UPQKLGIYDVWJJM-UHFFFAOYSA-N 0 3 315.413 3.812 20 10 DHCDHN CCCN1CC[C@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753853 534957587 /nfs/dbraw/zinc/95/75/87/534957587.db2.gz QMGBDPASPOCDSI-CJNGLKHVSA-N 0 3 310.869 3.818 20 10 DHCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1 ZINC000285595532 535752473 /nfs/dbraw/zinc/75/24/73/535752473.db2.gz WGCCWNNJALDRNM-UHFFFAOYSA-N 0 3 310.397 3.870 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286138802 535804783 /nfs/dbraw/zinc/80/47/83/535804783.db2.gz OUIMVYOLLVCSRO-WMLDXEAASA-N 0 3 308.441 3.692 20 10 DHCDHN CC[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287232946 535944220 /nfs/dbraw/zinc/94/42/20/535944220.db2.gz YIEAZXCPILFGFY-ZWKOTPCHSA-N 0 3 316.420 3.875 20 10 DHCDHN COCC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000273401098 536809577 /nfs/dbraw/zinc/80/95/77/536809577.db2.gz GLJCRPJKBMZWHM-IUODEOHRSA-N 0 3 307.365 3.861 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cc1OC ZINC000284176085 536896982 /nfs/dbraw/zinc/89/69/82/536896982.db2.gz QUNRICQYXPECAF-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN Cc1csc(C[C@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC000897301565 1017349663 /nfs/dbraw/zinc/34/96/63/1017349663.db2.gz MQUHPWYCVDPKNN-CQSZACIVSA-N 0 3 302.443 3.530 20 10 DHCDHN Cc1csc(C[C@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC000897301565 1017349680 /nfs/dbraw/zinc/34/96/80/1017349680.db2.gz MQUHPWYCVDPKNN-CQSZACIVSA-N 0 3 302.443 3.530 20 10 DHCDHN Cc1ncc([C@@H](C)NCc2ccc3c(c2)CCCN3C)s1 ZINC000090406461 1013710524 /nfs/dbraw/zinc/71/05/24/1013710524.db2.gz IBTRCFWGBCUWDY-GFCCVEGCSA-N 0 3 301.459 3.685 20 10 DHCDHN COc1ccc(CN(C)Cc2c(C)ccc(C)c2O)c(OC)c1 ZINC001140182311 1013792777 /nfs/dbraw/zinc/79/27/77/1013792777.db2.gz OMPYITSEULAJAG-UHFFFAOYSA-N 0 3 315.413 3.658 20 10 DHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000160529891 1014185416 /nfs/dbraw/zinc/18/54/16/1014185416.db2.gz IQMPEDJCSZOTCJ-GFCCVEGCSA-N 0 3 303.475 3.931 20 10 DHCDHN CCc1nc(C)c([C@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000160530015 1014186322 /nfs/dbraw/zinc/18/63/22/1014186322.db2.gz IQMPEDJCSZOTCJ-LBPRGKRZSA-N 0 3 303.475 3.931 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN1CCOC2(C1)CCCCCC2 ZINC001204585214 1016305833 /nfs/dbraw/zinc/30/58/33/1016305833.db2.gz OGIIYWXDOUYQRF-UHFFFAOYSA-N 0 3 316.489 3.986 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cc(Br)cs1 ZINC000226585225 1039725869 /nfs/dbraw/zinc/72/58/69/1039725869.db2.gz FOQGALQURQBIRU-UHFFFAOYSA-N 0 3 316.195 3.645 20 10 DHCDHN COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1F ZINC000185333295 1016862569 /nfs/dbraw/zinc/86/25/69/1016862569.db2.gz BINSNCLKEQTIJE-CYBMUJFWSA-N 0 3 303.377 3.742 20 10 DHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000848551153 1016874549 /nfs/dbraw/zinc/87/45/49/1016874549.db2.gz FGMWPUQGBLTPGC-DTWKUNHWSA-N 0 3 320.202 3.562 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(F)ccc1[O-] ZINC000185405502 1016894913 /nfs/dbraw/zinc/89/49/13/1016894913.db2.gz CXKJAGNNWUQZKZ-CHWSQXEVSA-N 0 3 301.361 3.748 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c([O-])c1 ZINC000185576356 1017019561 /nfs/dbraw/zinc/01/95/61/1017019561.db2.gz LEDFLZQZNJYCDH-UONOGXRCSA-N 0 3 303.377 3.958 20 10 DHCDHN COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185580438 1017029524 /nfs/dbraw/zinc/02/95/24/1017029524.db2.gz WMVXXNQKYTXGLQ-OLZOCXBDSA-N 0 3 319.376 3.658 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2cc(F)ccc2OC)c1 ZINC000192809119 1017067151 /nfs/dbraw/zinc/06/71/51/1017067151.db2.gz FLOIBBAPTAQRGH-NWDGAFQWSA-N 0 3 319.376 3.960 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc3c(c2)OCO3)ccc1N(C)C ZINC000772999520 1032518041 /nfs/dbraw/zinc/51/80/41/1032518041.db2.gz LRNHXYTZQMRRGH-AWEZNQCLSA-N 0 3 312.413 3.641 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2O)c1[O-] ZINC000877755549 1033431110 /nfs/dbraw/zinc/43/11/10/1033431110.db2.gz DWXIVGULGFLWCO-SNVBAGLBSA-N 0 3 307.777 3.611 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926917250 1032748404 /nfs/dbraw/zinc/74/84/04/1032748404.db2.gz SZZGXJYQIVALIJ-PXWWUCIGSA-N 0 3 321.314 3.682 20 10 DHCDHN CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1[O-])CCO2 ZINC000187587270 1018433403 /nfs/dbraw/zinc/43/34/03/1018433403.db2.gz CBVGTEYFMOTABZ-MRXNPFEDSA-N 0 3 317.360 3.543 20 10 DHCDHN Clc1csc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000278340008 1018588488 /nfs/dbraw/zinc/58/84/88/1018588488.db2.gz GSSDSTPFWFVUGJ-UHFFFAOYSA-N 0 3 322.861 3.528 20 10 DHCDHN Cc1cnc(Cl)c(CNCCCSc2nccs2)c1 ZINC000921753794 1018763484 /nfs/dbraw/zinc/76/34/84/1018763484.db2.gz GNFMKIJMQNDQQS-UHFFFAOYSA-N 0 3 313.879 3.772 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2 ZINC000921519582 1018816915 /nfs/dbraw/zinc/81/69/15/1018816915.db2.gz IPAVXVNWTSNSOL-ZDUSSCGKSA-N 0 3 311.381 3.591 20 10 DHCDHN Cc1ccc(O)c(CNCc2sccc2Br)c1 ZINC000083552467 1018919231 /nfs/dbraw/zinc/91/92/31/1018919231.db2.gz JRFOKVSWPKPAFM-UHFFFAOYSA-N 0 3 312.232 3.814 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)c([O-])c1 ZINC000923024462 1018987080 /nfs/dbraw/zinc/98/70/80/1018987080.db2.gz GJMUKHRGJMHZOU-IBGZPJMESA-N 0 3 313.397 3.578 20 10 DHCDHN CCCN(CCC)c1ccc(CNCc2ccc[nH]c2=O)cc1 ZINC000858304368 1032834728 /nfs/dbraw/zinc/83/47/28/1032834728.db2.gz PGQACYQTNWJAHW-UHFFFAOYSA-N 0 3 313.445 3.703 20 10 DHCDHN C[C@@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001171733326 1032850601 /nfs/dbraw/zinc/85/06/01/1032850601.db2.gz QUBLQUXQRGDIBP-JZXOWHBKSA-N 0 3 310.441 3.706 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000188662839 1019866307 /nfs/dbraw/zinc/86/63/07/1019866307.db2.gz RSWNMXTXJSWJPE-AWEZNQCLSA-N 0 3 313.294 3.967 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000765992300 1020126466 /nfs/dbraw/zinc/12/64/66/1020126466.db2.gz IFWTXOQZYACQMP-IRXDYDNUSA-N 0 3 322.880 3.788 20 10 DHCDHN CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000186241895 1020170048 /nfs/dbraw/zinc/17/00/48/1020170048.db2.gz IAPVZWVSYDLCOE-AWEZNQCLSA-N 0 3 322.449 3.736 20 10 DHCDHN CC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000732184677 1020210003 /nfs/dbraw/zinc/21/00/03/1020210003.db2.gz CVYLSJNXLGARSK-ZBFHGGJFSA-N 0 3 305.462 3.997 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000765995298 1020211615 /nfs/dbraw/zinc/21/16/15/1020211615.db2.gz UFMYNQWGQZJFSZ-GUYCJALGSA-N 0 3 322.880 3.788 20 10 DHCDHN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820564 1020287704 /nfs/dbraw/zinc/28/77/04/1020287704.db2.gz LJRZEAZNKBOJCX-QRWLVFNGSA-N 0 3 313.441 3.946 20 10 DHCDHN COc1cccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000733029696 1020316751 /nfs/dbraw/zinc/31/67/51/1020316751.db2.gz KFCOWNCJQJUOCR-UHFFFAOYSA-N 0 3 313.445 3.567 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])c(OC)c1 ZINC000179554177 1020408559 /nfs/dbraw/zinc/40/85/59/1020408559.db2.gz XGQCYWZBCHMSJG-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])c(OC)c1 ZINC000179554177 1020408562 /nfs/dbraw/zinc/40/85/62/1020408562.db2.gz XGQCYWZBCHMSJG-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000179583587 1020412777 /nfs/dbraw/zinc/41/27/77/1020412777.db2.gz PUFATYFXCJPSOF-CQSZACIVSA-N 0 3 303.789 3.699 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000179583587 1020412780 /nfs/dbraw/zinc/41/27/80/1020412780.db2.gz PUFATYFXCJPSOF-CQSZACIVSA-N 0 3 303.789 3.699 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H]2CSc3ccccc32)c1 ZINC000735508570 1020741916 /nfs/dbraw/zinc/74/19/16/1020741916.db2.gz FRRYZCSKBDLMOD-OAHLLOKOSA-N 0 3 301.411 3.728 20 10 DHCDHN C[C@H]1SCCN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000735668497 1020760377 /nfs/dbraw/zinc/76/03/77/1020760377.db2.gz JYLSQRJRDGTEAS-NWDGAFQWSA-N 0 3 309.475 3.721 20 10 DHCDHN CN(C)[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000738144611 1020862975 /nfs/dbraw/zinc/86/29/75/1020862975.db2.gz QTYZIILOZKQQSJ-HNNXBMFYSA-N 0 3 324.424 3.818 20 10 DHCDHN CN(C)[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000738144611 1020862980 /nfs/dbraw/zinc/86/29/80/1020862980.db2.gz QTYZIILOZKQQSJ-HNNXBMFYSA-N 0 3 324.424 3.818 20 10 DHCDHN COc1cc(CNCc2scnc2C)c(O)c(C(C)(C)C)c1 ZINC000850121785 1021423855 /nfs/dbraw/zinc/42/38/55/1021423855.db2.gz YFHHLBZZOBNBIJ-UHFFFAOYSA-N 0 3 320.458 3.753 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000850388879 1021505959 /nfs/dbraw/zinc/50/59/59/1021505959.db2.gz QVKDLLBKCAQPFS-IRXDYDNUSA-N 0 3 319.445 3.617 20 10 DHCDHN CC(C)[C@H](O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395200 1021506996 /nfs/dbraw/zinc/50/69/96/1021506996.db2.gz OEYIQBABMSSASK-PMACEKPBSA-N 0 3 312.457 3.600 20 10 DHCDHN COc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1C ZINC000850394745 1021508559 /nfs/dbraw/zinc/50/85/59/1021508559.db2.gz BQVLHJMBHZWGKK-VQTJNVASSA-N 0 3 313.441 3.851 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850419126 1021521938 /nfs/dbraw/zinc/52/19/38/1021521938.db2.gz BQVLALABTVFZKH-OXQOHEQNSA-N 0 3 312.457 3.745 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419124 1021522290 /nfs/dbraw/zinc/52/22/90/1021522290.db2.gz BQVLALABTVFZKH-JXFKEZNVSA-N 0 3 312.457 3.745 20 10 DHCDHN C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccn1 ZINC000850483374 1021559320 /nfs/dbraw/zinc/55/93/20/1021559320.db2.gz WQQCQBRJCDAQRK-JMSVASOKSA-N 0 3 300.377 3.868 20 10 DHCDHN C[C@@H](NCc1cccnc1N1CCCC1)c1ccc(N(C)C)cc1 ZINC000850499921 1021562796 /nfs/dbraw/zinc/56/27/96/1021562796.db2.gz ALNRVIDRIQSOCB-MRXNPFEDSA-N 0 3 324.472 3.599 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2cccnc2N2CCCC2)c1 ZINC000850502194 1021566000 /nfs/dbraw/zinc/56/60/00/1021566000.db2.gz SRMZWYQBFZCKEN-OAHLLOKOSA-N 0 3 311.429 3.547 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2cccnc2N2CCCC2)c1 ZINC000850502193 1021566187 /nfs/dbraw/zinc/56/61/87/1021566187.db2.gz SRMZWYQBFZCKEN-HNNXBMFYSA-N 0 3 311.429 3.547 20 10 DHCDHN COc1cccc(OC)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000850504850 1021566829 /nfs/dbraw/zinc/56/68/29/1021566829.db2.gz GLLPEKXGHQVYEU-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2c(C3CC3)cnn2C)cc1 ZINC000850535299 1021590553 /nfs/dbraw/zinc/59/05/53/1021590553.db2.gz UPXRHJQDJHQDBY-AWEZNQCLSA-N 0 3 312.461 3.604 20 10 DHCDHN CCOC(=O)N[C@H](C[NH2+][C@H](CC)c1ccccc1[O-])CC(C)C ZINC000155021916 1021819454 /nfs/dbraw/zinc/81/94/54/1021819454.db2.gz OEDCIXGOROQAOA-GOEBONIOSA-N 0 3 322.449 3.594 20 10 DHCDHN C[C@H](NCc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000065430402 1021887627 /nfs/dbraw/zinc/88/76/27/1021887627.db2.gz NHQWCUXHPULZCY-HNNXBMFYSA-N 0 3 314.404 3.513 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CCCCC1 ZINC000756337966 1021943941 /nfs/dbraw/zinc/94/39/41/1021943941.db2.gz ZXUDYQVVJPVNJE-GOSISDBHSA-N 0 3 303.446 3.954 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CCCCC1 ZINC000756337966 1021943950 /nfs/dbraw/zinc/94/39/50/1021943950.db2.gz ZXUDYQVVJPVNJE-GOSISDBHSA-N 0 3 303.446 3.954 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccc(OC)cc1)c1ccccc1[O-] ZINC000183325750 1022108424 /nfs/dbraw/zinc/10/84/24/1022108424.db2.gz SKCCUDKLRJWSEO-KRWDZBQOSA-N 0 3 301.386 3.521 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000180208153 1022118311 /nfs/dbraw/zinc/11/83/11/1022118311.db2.gz FWYQDZGPOVROMF-KRWDZBQOSA-N 0 3 300.377 3.608 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000180208153 1022118314 /nfs/dbraw/zinc/11/83/14/1022118314.db2.gz FWYQDZGPOVROMF-KRWDZBQOSA-N 0 3 300.377 3.608 20 10 DHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCc2sccc2C1 ZINC000183455812 1022147065 /nfs/dbraw/zinc/14/70/65/1022147065.db2.gz QTUNFNUWTZLSSZ-KGLIPLIRSA-N 0 3 316.470 3.551 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccccc1[O-] ZINC000183514590 1022169099 /nfs/dbraw/zinc/16/90/99/1022169099.db2.gz XDQJTURKJWKINN-MLGOLLRUSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000183517146 1022169956 /nfs/dbraw/zinc/16/99/56/1022169956.db2.gz UQLPIBURRHGGGK-GDBMZVCRSA-N 0 3 314.404 3.851 20 10 DHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)c1ccccc1 ZINC000111232828 1022253686 /nfs/dbraw/zinc/25/36/86/1022253686.db2.gz SVPDNIRZAUHWHU-FQEVSTJZSA-N 0 3 323.392 3.721 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861434 1022347216 /nfs/dbraw/zinc/34/72/16/1022347216.db2.gz WQYVPQZOCQBKFO-FOIQADDNSA-N 0 3 321.424 3.874 20 10 DHCDHN C[C@H](c1ccccc1)[N@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC000179645093 1022495725 /nfs/dbraw/zinc/49/57/25/1022495725.db2.gz NRVTVKOAIDETPT-QGZVFWFLSA-N 0 3 321.424 3.852 20 10 DHCDHN C[C@H](c1ccccc1)[N@@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC000179645093 1022495732 /nfs/dbraw/zinc/49/57/32/1022495732.db2.gz NRVTVKOAIDETPT-QGZVFWFLSA-N 0 3 321.424 3.852 20 10 DHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001169753951 1022531660 /nfs/dbraw/zinc/53/16/60/1022531660.db2.gz DZEPVAMZFZZSPS-HHXXYDBFSA-N 0 3 303.446 3.952 20 10 DHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001169753951 1022531663 /nfs/dbraw/zinc/53/16/63/1022531663.db2.gz DZEPVAMZFZZSPS-HHXXYDBFSA-N 0 3 303.446 3.952 20 10 DHCDHN CCN(Cc1cnc2c(C)cccn12)Cc1ccc(N(C)C)cc1 ZINC000768133997 1022901443 /nfs/dbraw/zinc/90/14/43/1022901443.db2.gz NRTGZKFCEYLXAM-UHFFFAOYSA-N 0 3 322.456 3.731 20 10 DHCDHN Cc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000876557648 1033091080 /nfs/dbraw/zinc/09/10/80/1033091080.db2.gz CIMVKAGIWSYTPZ-HXUWFJFHSA-N 0 3 311.425 3.646 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c([O-])c1 ZINC000768240766 1022924053 /nfs/dbraw/zinc/92/40/53/1022924053.db2.gz FIQIRKPSQKZEKP-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN CN(C)c1ccc(CN(Cc2n[nH]c3ccccc32)C2CC2)cc1 ZINC000768257598 1022932705 /nfs/dbraw/zinc/93/27/05/1022932705.db2.gz NSRWTUGKVFLNDB-UHFFFAOYSA-N 0 3 320.440 3.794 20 10 DHCDHN CN(C)c1ccc(CN(Cc2[nH]nc3ccccc32)C2CC2)cc1 ZINC000768257598 1022932710 /nfs/dbraw/zinc/93/27/10/1022932710.db2.gz NSRWTUGKVFLNDB-UHFFFAOYSA-N 0 3 320.440 3.794 20 10 DHCDHN COc1ccccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768258206 1022937039 /nfs/dbraw/zinc/93/70/39/1022937039.db2.gz URHASJKUVNJUPF-UHFFFAOYSA-N 0 3 310.441 3.926 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000768329877 1022947712 /nfs/dbraw/zinc/94/77/12/1022947712.db2.gz IWNQEQFFOVTZPP-INIZCTEOSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000768329877 1022947722 /nfs/dbraw/zinc/94/77/22/1022947722.db2.gz IWNQEQFFOVTZPP-INIZCTEOSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1cc([O-])c(C[N@H+](CC(C)C)CC(C)(C)C)cc1OC ZINC000768463320 1022972256 /nfs/dbraw/zinc/97/22/56/1022972256.db2.gz RNUWITUNJJBVHQ-UHFFFAOYSA-N 0 3 309.450 3.914 20 10 DHCDHN COc1cc([O-])c(C[N@@H+](CC(C)C)CC(C)(C)C)cc1OC ZINC000768463320 1022972269 /nfs/dbraw/zinc/97/22/69/1022972269.db2.gz RNUWITUNJJBVHQ-UHFFFAOYSA-N 0 3 309.450 3.914 20 10 DHCDHN Oc1cc2c(cc1CN1CC=C(C(F)(F)F)CC1)CCCC2 ZINC000768466005 1022972950 /nfs/dbraw/zinc/97/29/50/1022972950.db2.gz VEMZSLJGTDDBEU-UHFFFAOYSA-N 0 3 311.347 3.965 20 10 DHCDHN CCCN(Cc1ccccc1F)Cc1cccc(OC)c1O ZINC000768486572 1022978996 /nfs/dbraw/zinc/97/89/96/1022978996.db2.gz OCWZJPBBAAMXKQ-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1sccc1Br)CC2 ZINC000296268458 1023007643 /nfs/dbraw/zinc/00/76/43/1023007643.db2.gz BVWHPLQJNNULQD-LLVKDONJSA-N 0 3 324.243 3.993 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c([O-])c1 ZINC000769106380 1023085114 /nfs/dbraw/zinc/08/51/14/1023085114.db2.gz STULFLSJZLMJSM-UHFFFAOYSA-N 0 3 312.413 3.566 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(OC)cc1OC ZINC000769201305 1023102016 /nfs/dbraw/zinc/10/20/16/1023102016.db2.gz RLJPMKSYZGHFOW-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(OC)cc1OC ZINC000769201305 1023102024 /nfs/dbraw/zinc/10/20/24/1023102024.db2.gz RLJPMKSYZGHFOW-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN Cc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000876616537 1033105319 /nfs/dbraw/zinc/10/53/19/1033105319.db2.gz ZEDXFSCWAGGALH-UHFFFAOYSA-N 0 3 321.424 3.957 20 10 DHCDHN CCCN(CCC)c1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000769468228 1023161735 /nfs/dbraw/zinc/16/17/35/1023161735.db2.gz DPIDIUBFVFTJNY-UHFFFAOYSA-N 0 3 312.461 3.594 20 10 DHCDHN Cc1ccc(C)c([C@H]2CN(Cc3ccccc3O)[C@@H](C)CO2)c1 ZINC000770506157 1023316408 /nfs/dbraw/zinc/31/64/08/1023316408.db2.gz VTTXOYCJTWBZPQ-OXJNMPFZSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876805389 1033146934 /nfs/dbraw/zinc/14/69/34/1033146934.db2.gz ZQPSIWDTOJEIQX-RHSMWYFYSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876805389 1033146940 /nfs/dbraw/zinc/14/69/40/1033146940.db2.gz ZQPSIWDTOJEIQX-RHSMWYFYSA-N 0 3 317.454 3.850 20 10 DHCDHN C[C@H](NCc1scnc1C1CC1)c1ccc(N(C)C)cc1 ZINC000785512276 1023585779 /nfs/dbraw/zinc/58/57/79/1023585779.db2.gz RUGYCLMQVGKXBG-LBPRGKRZSA-N 0 3 301.459 3.937 20 10 DHCDHN CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c([O-])cccc1OC ZINC000785985996 1023649589 /nfs/dbraw/zinc/64/95/89/1023649589.db2.gz ZQONJCPNMGBPTK-UHFFFAOYSA-N 0 3 310.397 3.904 20 10 DHCDHN CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1c([O-])cccc1OC ZINC000785985996 1023649592 /nfs/dbraw/zinc/64/95/92/1023649592.db2.gz ZQONJCPNMGBPTK-UHFFFAOYSA-N 0 3 310.397 3.904 20 10 DHCDHN C[C@H]([NH2+]CCOc1ccccc1Cl)c1cc(F)ccc1[O-] ZINC000756770587 1023768590 /nfs/dbraw/zinc/76/85/90/1023768590.db2.gz WKLQUXYZABNGLC-NSHDSACASA-N 0 3 309.768 3.914 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(F)cn1)C1CCCC1 ZINC000787247338 1023776326 /nfs/dbraw/zinc/77/63/26/1023776326.db2.gz UPNQBXHWPZBIJP-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(F)cn1)C1CCCC1 ZINC000787247338 1023776331 /nfs/dbraw/zinc/77/63/31/1023776331.db2.gz UPNQBXHWPZBIJP-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000787416847 1023791343 /nfs/dbraw/zinc/79/13/43/1023791343.db2.gz HWMYIYCHDLTRGU-CQSZACIVSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000787416847 1023791348 /nfs/dbraw/zinc/79/13/48/1023791348.db2.gz HWMYIYCHDLTRGU-CQSZACIVSA-N 0 3 317.351 3.954 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1[O-] ZINC000788268472 1023869561 /nfs/dbraw/zinc/86/95/61/1023869561.db2.gz ZGOWQMKTPYUBHX-OAHLLOKOSA-N 0 3 321.852 3.617 20 10 DHCDHN CCOC1CC(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000788982320 1023958654 /nfs/dbraw/zinc/95/86/54/1023958654.db2.gz XDOLOAXLQFBIGF-XZNOPERXSA-N 0 3 307.409 3.874 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000876928646 1033183710 /nfs/dbraw/zinc/18/37/10/1033183710.db2.gz LITOZAJCCOMPBI-UHFFFAOYSA-N 0 3 311.425 3.539 20 10 DHCDHN CN(C)c1ccc(CNCc2cc(Cl)cc(Cl)c2N)cc1 ZINC000876906389 1033181855 /nfs/dbraw/zinc/18/18/55/1033181855.db2.gz YCNDJBYUVAKYQF-UHFFFAOYSA-N 0 3 324.255 3.931 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000789769317 1024160882 /nfs/dbraw/zinc/16/08/82/1024160882.db2.gz OBIIJSCDPPRDAT-OAHLLOKOSA-N 0 3 314.404 3.538 20 10 DHCDHN COc1cc(F)c([C@@H](C)NCc2ccc(C)cc2O)cc1OC ZINC000877034844 1033213228 /nfs/dbraw/zinc/21/32/28/1033213228.db2.gz BWLJSZZINZCWQS-GFCCVEGCSA-N 0 3 319.376 3.708 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000271361113 1024494893 /nfs/dbraw/zinc/49/48/93/1024494893.db2.gz NHEOKKAHCQYVOL-IEBWSBKVSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000271361113 1024494895 /nfs/dbraw/zinc/49/48/95/1024494895.db2.gz NHEOKKAHCQYVOL-IEBWSBKVSA-N 0 3 315.388 3.619 20 10 DHCDHN C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000283478633 1024673196 /nfs/dbraw/zinc/67/31/96/1024673196.db2.gz WXUOIFIAMPCVJB-CXAGYDPISA-N 0 3 318.848 3.999 20 10 DHCDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001170417679 1024768053 /nfs/dbraw/zinc/76/80/53/1024768053.db2.gz MHYIZZSQZBGQFG-ZFWWWQNUSA-N 0 3 313.397 3.793 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793267185 1024965647 /nfs/dbraw/zinc/96/56/47/1024965647.db2.gz AQBYLKZNWCVSSD-GOEBONIOSA-N 0 3 315.388 3.966 20 10 DHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000134231509 1025028511 /nfs/dbraw/zinc/02/85/11/1025028511.db2.gz VVBJBGUPUQWCJK-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(C)cc1[O-] ZINC000279932849 1025511381 /nfs/dbraw/zinc/51/13/81/1025511381.db2.gz ATDAEOZBTIOPHZ-WMLDXEAASA-N 0 3 305.443 3.711 20 10 DHCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCCC3)cc2)s1 ZINC000179132769 1025790864 /nfs/dbraw/zinc/79/08/64/1025790864.db2.gz RXWKBBKLLLJRPY-CYBMUJFWSA-N 0 3 301.459 3.903 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1ccccc1[O-] ZINC000248571098 1025973686 /nfs/dbraw/zinc/97/36/86/1025973686.db2.gz RAABYQALALEZOA-BEZKYQLSSA-N 0 3 309.475 3.513 20 10 DHCDHN C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289860118 1026203996 /nfs/dbraw/zinc/20/39/96/1026203996.db2.gz QXQWQNJWUQWFNK-PXAZEXFGSA-N 0 3 303.427 3.592 20 10 DHCDHN COc1cc(C)cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1O ZINC000894193533 1026339207 /nfs/dbraw/zinc/33/92/07/1026339207.db2.gz RORLBRDRQJGKMR-WFASDCNBSA-N 0 3 301.386 3.715 20 10 DHCDHN Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808672496 1026353310 /nfs/dbraw/zinc/35/33/10/1026353310.db2.gz PJKRJSQHQFPWER-AWEZNQCLSA-N 0 3 321.852 3.908 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)c1[O-] ZINC000808675754 1026353786 /nfs/dbraw/zinc/35/37/86/1026353786.db2.gz RDVGSYNQEAWBBP-ZIAGYGMSSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)c1[O-] ZINC000808679155 1026356774 /nfs/dbraw/zinc/35/67/74/1026356774.db2.gz FKCMWKQUBQWZLB-LLVKDONJSA-N 0 3 319.788 3.934 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccncc2C)c1[O-] ZINC000808708048 1026357053 /nfs/dbraw/zinc/35/70/53/1026357053.db2.gz FWGZHLBWYOLROE-CYBMUJFWSA-N 0 3 304.821 3.951 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccccc1[O-] ZINC000808728144 1026370786 /nfs/dbraw/zinc/37/07/86/1026370786.db2.gz CQKUONFIWOILON-GOEBONIOSA-N 0 3 301.361 3.576 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000808697196 1026374409 /nfs/dbraw/zinc/37/44/09/1026374409.db2.gz YWCCDVVSNKMISI-FZKQIMNGSA-N 0 3 319.832 3.912 20 10 DHCDHN CN(C)c1ccc(CNCc2cccc3c2NCCC3)cc1F ZINC000894208890 1026404627 /nfs/dbraw/zinc/40/46/27/1026404627.db2.gz MQIAMLQWFDIROX-UHFFFAOYSA-N 0 3 313.420 3.540 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(C)cc1[O-] ZINC000280032524 1026575365 /nfs/dbraw/zinc/57/53/65/1026575365.db2.gz IEZDRTQSXLEAJQ-OAHLLOKOSA-N 0 3 301.386 3.656 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280099236 1026592830 /nfs/dbraw/zinc/59/28/30/1026592830.db2.gz MYTMSLWYHQGEJK-IEBWSBKVSA-N 0 3 313.441 3.908 20 10 DHCDHN COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])c(C)c1OC ZINC000809780324 1026622323 /nfs/dbraw/zinc/62/23/23/1026622323.db2.gz UQLCJFFJBLIBII-GFCCVEGCSA-N 0 3 319.376 3.708 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(C)cc1[O-] ZINC000280249575 1026623557 /nfs/dbraw/zinc/62/35/57/1026623557.db2.gz WNNKDOVTWFRQNV-ONIAQPFYSA-N 0 3 301.430 3.699 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000809786845 1026625798 /nfs/dbraw/zinc/62/57/98/1026625798.db2.gz MPGQRFSGOKLBPQ-SJKOYZFVSA-N 0 3 305.805 3.566 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1[O-] ZINC000809788390 1026627531 /nfs/dbraw/zinc/62/75/31/1026627531.db2.gz RNXPUTYVLZVKBL-BDJLRTHQSA-N 0 3 303.789 3.966 20 10 DHCDHN Cc1cc(Cl)cc(CN[C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788390 1026627535 /nfs/dbraw/zinc/62/75/35/1026627535.db2.gz RNXPUTYVLZVKBL-BDJLRTHQSA-N 0 3 303.789 3.966 20 10 DHCDHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)[C@@H]1[C@H]1CCCO1 ZINC000811510693 1027026017 /nfs/dbraw/zinc/02/60/17/1027026017.db2.gz MZJJXZZXTYKHIM-RTBURBONSA-N 0 3 311.425 3.935 20 10 DHCDHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@@H]1[C@H]1CCCO1 ZINC000811510693 1027026023 /nfs/dbraw/zinc/02/60/23/1027026023.db2.gz MZJJXZZXTYKHIM-RTBURBONSA-N 0 3 311.425 3.935 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512213 1027027608 /nfs/dbraw/zinc/02/76/08/1027027608.db2.gz HODSXRHJVTZZQM-LJQANCHMSA-N 0 3 313.372 3.501 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512213 1027027615 /nfs/dbraw/zinc/02/76/15/1027027615.db2.gz HODSXRHJVTZZQM-LJQANCHMSA-N 0 3 313.372 3.501 20 10 DHCDHN CC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(C)cc1[O-] ZINC000812738087 1027381488 /nfs/dbraw/zinc/38/14/88/1027381488.db2.gz WOTYLYXBPJQDRX-INIZCTEOSA-N 0 3 313.445 3.554 20 10 DHCDHN Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000296196107 1027569658 /nfs/dbraw/zinc/56/96/58/1027569658.db2.gz YSRPVMMNPGGLEH-HNNXBMFYSA-N 0 3 316.470 3.744 20 10 DHCDHN CC(C)c1nc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cs1 ZINC000296241571 1027586315 /nfs/dbraw/zinc/58/63/15/1027586315.db2.gz ARLXRHNDHZRTEB-CQSZACIVSA-N 0 3 302.443 3.792 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)CC2 ZINC000296302135 1027600502 /nfs/dbraw/zinc/60/05/02/1027600502.db2.gz FYAJJHIFPGNOJT-LBPRGKRZSA-N 0 3 308.303 3.583 20 10 DHCDHN COC[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 ZINC000296854954 1027743017 /nfs/dbraw/zinc/74/30/17/1027743017.db2.gz NLBALKIZWVNPGB-HOTGVXAUSA-N 0 3 319.351 3.635 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000813877250 1027747655 /nfs/dbraw/zinc/74/76/55/1027747655.db2.gz PKASCWAGIPOBRI-SMDDNHRTSA-N 0 3 318.383 3.649 20 10 DHCDHN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(F)ccc1[O-] ZINC000778995989 1027748093 /nfs/dbraw/zinc/74/80/93/1027748093.db2.gz IAHNDSPNAIEVDW-UHFFFAOYSA-N 0 3 318.348 3.850 20 10 DHCDHN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(F)ccc1[O-] ZINC000778995989 1027748110 /nfs/dbraw/zinc/74/81/10/1027748110.db2.gz IAHNDSPNAIEVDW-UHFFFAOYSA-N 0 3 318.348 3.850 20 10 DHCDHN COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779004620 1027758114 /nfs/dbraw/zinc/75/81/14/1027758114.db2.gz XTZYRITZUUUTKA-QGZVFWFLSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779004620 1027758131 /nfs/dbraw/zinc/75/81/31/1027758131.db2.gz XTZYRITZUUUTKA-QGZVFWFLSA-N 0 3 315.388 3.747 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc(F)ccc1[O-] ZINC000527954161 1027985952 /nfs/dbraw/zinc/98/59/52/1027985952.db2.gz YTXMMVUKYLYADC-CZUORRHYSA-N 0 3 306.425 3.589 20 10 DHCDHN COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C2CC2)cn1 ZINC000528044189 1028072484 /nfs/dbraw/zinc/07/24/84/1028072484.db2.gz RYRNYXVOINNNSQ-DJJJIMSYSA-N 0 3 312.413 3.906 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)c1ccc(C)cc1[O-] ZINC000366452984 1028080874 /nfs/dbraw/zinc/08/08/74/1028080874.db2.gz SESDQJHOQLTSHM-DOTOQJQBSA-N 0 3 313.445 3.824 20 10 DHCDHN CC[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccccc1[O-] ZINC000779083083 1028211392 /nfs/dbraw/zinc/21/13/92/1028211392.db2.gz URQGPPFTDWLHHH-INIZCTEOSA-N 0 3 310.397 3.604 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367684867 1028224191 /nfs/dbraw/zinc/22/41/91/1028224191.db2.gz IVSLRYUOTLLNQR-SJLPKXTDSA-N 0 3 301.361 3.541 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1-c1ccncc1 ZINC000368013455 1028277992 /nfs/dbraw/zinc/27/79/92/1028277992.db2.gz AWNDEAARDYBXAL-UHFFFAOYSA-N 0 3 308.356 3.883 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000368483849 1028361727 /nfs/dbraw/zinc/36/17/27/1028361727.db2.gz VEJXRUOABFLJHG-WVQJBOLRSA-N 0 3 317.360 3.713 20 10 DHCDHN CCCOc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])c(C)c1 ZINC000187980999 1028488285 /nfs/dbraw/zinc/48/82/85/1028488285.db2.gz JLFXYBSGRKFHPA-UHFFFAOYSA-N 0 3 303.377 3.918 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CCOCC1 ZINC000815562033 1028544980 /nfs/dbraw/zinc/54/49/80/1028544980.db2.gz VUYFCVRAJHXALE-IBGZPJMESA-N 0 3 311.425 3.835 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@H](c2ccsc2)C1 ZINC000369928995 1028548110 /nfs/dbraw/zinc/54/81/10/1028548110.db2.gz GFCAPGQSFIOAQB-WBVHZDCISA-N 0 3 303.427 3.978 20 10 DHCDHN CCC[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815578919 1028551813 /nfs/dbraw/zinc/55/18/13/1028551813.db2.gz ABFVUTAZPPZOPM-IEBWSBKVSA-N 0 3 313.441 3.817 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000076074536 1028556789 /nfs/dbraw/zinc/55/67/89/1028556789.db2.gz ICEIXEBBTXTERY-MRXNPFEDSA-N 0 3 320.477 3.638 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000076074536 1028556802 /nfs/dbraw/zinc/55/68/02/1028556802.db2.gz ICEIXEBBTXTERY-MRXNPFEDSA-N 0 3 320.477 3.638 20 10 DHCDHN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])c2ccccc21 ZINC000370372980 1028596162 /nfs/dbraw/zinc/59/61/62/1028596162.db2.gz GVFWJDOZOJKXSX-RDTXWAMCSA-N 0 3 324.424 3.849 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000371464095 1028715187 /nfs/dbraw/zinc/71/51/87/1028715187.db2.gz ONXFJAJXBJBIJN-MRXNPFEDSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000371464095 1028715192 /nfs/dbraw/zinc/71/51/92/1028715192.db2.gz ONXFJAJXBJBIJN-MRXNPFEDSA-N 0 3 307.397 3.579 20 10 DHCDHN CCC[N@H+](CCCOCC(F)(F)F)Cc1ccccc1[O-] ZINC000077275814 1028820221 /nfs/dbraw/zinc/82/02/21/1028820221.db2.gz YSAXMCPPQCDZBM-UHFFFAOYSA-N 0 3 305.340 3.573 20 10 DHCDHN CCC[N@@H+](CCCOCC(F)(F)F)Cc1ccccc1[O-] ZINC000077275814 1028820232 /nfs/dbraw/zinc/82/02/32/1028820232.db2.gz YSAXMCPPQCDZBM-UHFFFAOYSA-N 0 3 305.340 3.573 20 10 DHCDHN COc1ccc(CNCc2ccc(OC(C)(C)C)nc2)cc1C ZINC000778640194 1029057926 /nfs/dbraw/zinc/05/79/26/1029057926.db2.gz UULJGSRVDVDSBK-UHFFFAOYSA-N 0 3 314.429 3.866 20 10 DHCDHN C[C@H]([NH2+]CC1(N)CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817938716 1029280313 /nfs/dbraw/zinc/28/03/13/1029280313.db2.gz QUCUTANUVDAKHE-NSHDSACASA-N 0 3 316.367 3.723 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1[O-] ZINC000817955147 1029298066 /nfs/dbraw/zinc/29/80/66/1029298066.db2.gz REAOZFJYMDSBKX-BLLLJJGKSA-N 0 3 304.821 3.705 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972314 1029311216 /nfs/dbraw/zinc/31/12/16/1029311216.db2.gz WBAAPGBMVPMASJ-ICCXJUOJSA-N 0 3 317.260 3.738 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000817975500 1029314071 /nfs/dbraw/zinc/31/40/71/1029314071.db2.gz VRHCBOQMYZGXDU-RTBURBONSA-N 0 3 310.441 3.628 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(F)ccc1[O-] ZINC000817976209 1029314489 /nfs/dbraw/zinc/31/44/89/1029314489.db2.gz VWYLRWPACGGPHR-LBPRGKRZSA-N 0 3 300.377 3.740 20 10 DHCDHN CC[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984373 1029320499 /nfs/dbraw/zinc/32/04/99/1029320499.db2.gz RKAVFDSGEQMVLF-MFKMUULPSA-N 0 3 317.260 3.882 20 10 DHCDHN C[C@@H](NCc1ccnn1CC1CCC1)c1ccc(N(C)C)cc1 ZINC000865531050 1029902857 /nfs/dbraw/zinc/90/28/57/1029902857.db2.gz FLKWUCQAAJHAJQ-OAHLLOKOSA-N 0 3 312.461 3.600 20 10 DHCDHN CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000290425046 1030043091 /nfs/dbraw/zinc/04/30/91/1030043091.db2.gz KYJWGJIBZPORHI-QGZVFWFLSA-N 0 3 313.397 3.565 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H](C)c2cc3cnccc3o2)c1 ZINC000865855349 1030061934 /nfs/dbraw/zinc/06/19/34/1030061934.db2.gz YTFAORXMFSVYJH-GFCCVEGCSA-N 0 3 312.369 3.783 20 10 DHCDHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866449093 1030299258 /nfs/dbraw/zinc/29/92/58/1030299258.db2.gz RAUOZLUWJHQQNG-UKPHBRMFSA-N 0 3 324.415 3.594 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCSCCC(F)(F)F)CC2 ZINC000866543472 1030365776 /nfs/dbraw/zinc/36/57/76/1030365776.db2.gz WWSINXMRVPTNGR-LLVKDONJSA-N 0 3 305.365 3.655 20 10 DHCDHN COc1ccc(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)c([O-])c1 ZINC000824320801 1030524330 /nfs/dbraw/zinc/52/43/30/1030524330.db2.gz KKXCLOBFQLVCFD-NSHDSACASA-N 0 3 307.340 3.572 20 10 DHCDHN COC[C@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576523 1030585651 /nfs/dbraw/zinc/58/56/51/1030585651.db2.gz MZJFGFKAWBHNOV-HXUWFJFHSA-N 0 3 311.425 3.918 20 10 DHCDHN COC[C@]1(C)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576523 1030585662 /nfs/dbraw/zinc/58/56/62/1030585662.db2.gz MZJFGFKAWBHNOV-HXUWFJFHSA-N 0 3 311.425 3.918 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000926906731 1030981193 /nfs/dbraw/zinc/98/11/93/1030981193.db2.gz YTRAPBCUSSERNX-YWPYICTPSA-N 0 3 317.351 3.851 20 10 DHCDHN CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cnn(C)c1 ZINC000927066793 1031064780 /nfs/dbraw/zinc/06/47/80/1031064780.db2.gz DOIOOFUFJOUDNF-CDNVCLAFSA-N 0 3 317.408 3.800 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CSC)C2)c1[O-] ZINC000292882711 1031234233 /nfs/dbraw/zinc/23/42/33/1031234233.db2.gz XYGJNILOLCBGQV-LLVKDONJSA-N 0 3 315.866 3.629 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CSC)C2)c1[O-] ZINC000292882711 1031234245 /nfs/dbraw/zinc/23/42/45/1031234245.db2.gz XYGJNILOLCBGQV-LLVKDONJSA-N 0 3 315.866 3.629 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(CC4(F)F)C3)c2c1 ZINC000844759859 1031317258 /nfs/dbraw/zinc/31/72/58/1031317258.db2.gz MTNSOTGGFKTYLF-KRWDZBQOSA-N 0 3 319.351 3.785 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(CC4(F)F)C3)c2c1 ZINC000844759859 1031317272 /nfs/dbraw/zinc/31/72/72/1031317272.db2.gz MTNSOTGGFKTYLF-KRWDZBQOSA-N 0 3 319.351 3.785 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2nccnc2C)c1O ZINC000872134051 1031528142 /nfs/dbraw/zinc/52/81/42/1031528142.db2.gz QUBKFYDKRMNBGB-JQWIXIFHSA-N 0 3 305.809 3.864 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000872133932 1031528481 /nfs/dbraw/zinc/52/84/81/1031528481.db2.gz UABYBURQDJKRAB-PZPSRYQVSA-N 0 3 303.377 3.694 20 10 DHCDHN CCc1noc(C)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000293658041 1031558235 /nfs/dbraw/zinc/55/82/35/1031558235.db2.gz IIVOXWGEGXHEME-LBPRGKRZSA-N 0 3 314.429 3.981 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000293748306 1031599403 /nfs/dbraw/zinc/59/94/03/1031599403.db2.gz NZHZUOFTHMQDTN-HKUYNNGSSA-N 0 3 311.425 3.692 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCn1ccnc1 ZINC000293899177 1031686338 /nfs/dbraw/zinc/68/63/38/1031686338.db2.gz WJGHPBWUXCMZAH-LJQANCHMSA-N 0 3 321.424 3.552 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cnc(C(C)C)s2)c1 ZINC000845972586 1031788910 /nfs/dbraw/zinc/78/89/10/1031788910.db2.gz PBFUSKKDRUHTCU-NSHDSACASA-N 0 3 306.431 3.832 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846009437 1031805897 /nfs/dbraw/zinc/80/58/97/1031805897.db2.gz ZSLJSFYREZNRLO-UHFFFAOYSA-N 0 3 323.436 3.796 20 10 DHCDHN COCC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161900 1031890669 /nfs/dbraw/zinc/89/06/69/1031890669.db2.gz HEVXSSFSPXBHRY-DZGCQCFKSA-N 0 3 319.401 3.731 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H]2CSc3ccccc32)c1O ZINC000846142757 1031902865 /nfs/dbraw/zinc/90/28/65/1031902865.db2.gz CHGHAKXRQMXECN-SMDDNHRTSA-N 0 3 301.411 3.898 20 10 DHCDHN COc1ccc(C[NH2+]C[C@H](OC(C)C)c2ccccc2)c([O-])c1 ZINC000877493663 1033321584 /nfs/dbraw/zinc/32/15/84/1033321584.db2.gz ODFWJEXDGXQVJK-IBGZPJMESA-N 0 3 315.413 3.657 20 10 DHCDHN Cc1cccc(O)c1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000877570108 1033363780 /nfs/dbraw/zinc/36/37/80/1033363780.db2.gz CVRAMZJAGIUTTF-CYBMUJFWSA-N 0 3 307.315 3.895 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877673997 1033407926 /nfs/dbraw/zinc/40/79/26/1033407926.db2.gz LBEMJJREPDWTSX-UHFFFAOYSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccccc2O)ncc1Br ZINC000877758150 1033434673 /nfs/dbraw/zinc/43/46/73/1033434673.db2.gz KVIBAEBUDLMKJE-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccccc2O)c(Cl)c1OC ZINC000877757102 1033435164 /nfs/dbraw/zinc/43/51/64/1033435164.db2.gz GDPMVWIEHVNMET-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN COc1cc(Cl)cc(CN2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000877811978 1033460441 /nfs/dbraw/zinc/46/04/41/1033460441.db2.gz DKDODSROOZDBEA-CYBMUJFWSA-N 0 3 323.742 3.829 20 10 DHCDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172951543 1033493569 /nfs/dbraw/zinc/49/35/69/1033493569.db2.gz SYRHZAQERMOIPQ-ZIAGYGMSSA-N 0 3 322.449 3.688 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccsc2)CC1 ZINC000777220365 1033726426 /nfs/dbraw/zinc/72/64/26/1033726426.db2.gz HURQYBOCTBCVGC-UHFFFAOYSA-N 0 3 303.427 3.842 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119249208 1033991975 /nfs/dbraw/zinc/99/19/75/1033991975.db2.gz LRSOGALUPGKPSC-OAHLLOKOSA-N 0 3 314.429 3.584 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000879649738 1034070065 /nfs/dbraw/zinc/07/00/65/1034070065.db2.gz TYXZGDYAPVWLMJ-CABCVRRESA-N 0 3 312.413 3.687 20 10 DHCDHN Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000879649349 1034070276 /nfs/dbraw/zinc/07/02/76/1034070276.db2.gz QTXJJACFGILQQK-CABCVRRESA-N 0 3 312.413 3.687 20 10 DHCDHN Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648704 1034070444 /nfs/dbraw/zinc/07/04/44/1034070444.db2.gz ACOUVWDFZWHWDL-CABCVRRESA-N 0 3 312.413 3.687 20 10 DHCDHN CCc1ccc2c(C[NH2+][C@@H](C)c3ccccc3[O-])cc(=O)oc2c1 ZINC000879651046 1034073732 /nfs/dbraw/zinc/07/37/32/1034073732.db2.gz FTASYDGDBVYMTN-ZDUSSCGKSA-N 0 3 323.392 3.912 20 10 DHCDHN CCOc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000879650684 1034075063 /nfs/dbraw/zinc/07/50/63/1034075063.db2.gz NEKYHPCKKMEEAH-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN CCn1c2cccc(F)c2nc1CN[C@@H](C)c1ccccc1O ZINC000879650850 1034075217 /nfs/dbraw/zinc/07/52/17/1034075217.db2.gz TVHVXHANVSKJFN-LBPRGKRZSA-N 0 3 313.376 3.752 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000179555177 1034313471 /nfs/dbraw/zinc/31/34/71/1034313471.db2.gz NHFDADMSUYKHHR-UHFFFAOYSA-N 0 3 307.397 3.648 20 10 DHCDHN COc1ccc(N2CCN([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000777400957 1034424805 /nfs/dbraw/zinc/42/48/05/1034424805.db2.gz HRRICTKJWJVFTA-HXUWFJFHSA-N 0 3 308.425 3.505 20 10 DHCDHN CC[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794794219 1034474182 /nfs/dbraw/zinc/47/41/82/1034474182.db2.gz QNASYSCWAZNDDJ-HXUWFJFHSA-N 0 3 324.468 3.800 20 10 DHCDHN CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccc(C)cc1[O-] ZINC000794805096 1034480161 /nfs/dbraw/zinc/48/01/61/1034480161.db2.gz OZCUMSXLEZSWBH-OAHLLOKOSA-N 0 3 317.433 3.881 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(C)cc1[O-] ZINC000794806274 1034502653 /nfs/dbraw/zinc/50/26/53/1034502653.db2.gz GUBOAFPSAAYCBA-SFHVURJKSA-N 0 3 311.425 3.919 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000184918326 1034511372 /nfs/dbraw/zinc/51/13/72/1034511372.db2.gz CYQRQLXDNWVXDC-YVEFUNNKSA-N 0 3 305.805 3.738 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(C)cc1[O-] ZINC000794815753 1034527368 /nfs/dbraw/zinc/52/73/68/1034527368.db2.gz LNDNIBKGTNWSNM-HNNXBMFYSA-N 0 3 320.820 3.869 20 10 DHCDHN CC[C@H]([NH2+]CCCc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000794812330 1034529439 /nfs/dbraw/zinc/52/94/39/1034529439.db2.gz VVKIHACZEPEGRA-KRWDZBQOSA-N 0 3 302.418 3.979 20 10 DHCDHN CCC[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccnc1 ZINC000185232286 1034536237 /nfs/dbraw/zinc/53/62/37/1034536237.db2.gz ZURFYUHNUHRDIS-KRWDZBQOSA-N 0 3 301.409 3.918 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(C)cc1[O-] ZINC000794817793 1034538748 /nfs/dbraw/zinc/53/87/48/1034538748.db2.gz QVGQXJASVMBYLL-WBVHZDCISA-N 0 3 321.367 3.753 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(C)cc1[O-] ZINC000794817791 1034539146 /nfs/dbraw/zinc/53/91/46/1034539146.db2.gz QVGQXJASVMBYLL-RDJZCZTQSA-N 0 3 321.367 3.753 20 10 DHCDHN C[C@@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185834780 1034576333 /nfs/dbraw/zinc/57/63/33/1034576333.db2.gz NNIZGKJCDQRVSZ-LXIYXOSZSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c(Cl)c1 ZINC001177441435 1035372355 /nfs/dbraw/zinc/37/23/55/1035372355.db2.gz ATUXQOSQDJXROU-FZKQIMNGSA-N 0 3 324.896 3.954 20 10 DHCDHN CCn1ccc(CNCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001179294461 1035472038 /nfs/dbraw/zinc/47/20/38/1035472038.db2.gz APOCAIAKGRNCTF-UHFFFAOYSA-N 0 3 322.456 3.643 20 10 DHCDHN COc1ccc(CNCc2ccc(-c3cnco3)cc2)cc1C ZINC001179733876 1035495933 /nfs/dbraw/zinc/49/59/33/1035495933.db2.gz LKJNFKHFAUJHQO-UHFFFAOYSA-N 0 3 308.381 3.948 20 10 DHCDHN C[C@H](NCc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775558394 1035535691 /nfs/dbraw/zinc/53/56/91/1035535691.db2.gz LRFRTDXLEWJTAF-NSHDSACASA-N 0 3 315.804 3.783 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1[O-] ZINC000775644584 1036182404 /nfs/dbraw/zinc/18/24/04/1036182404.db2.gz PFWVJKNVOFRWFA-UHFFFAOYSA-N 0 3 319.788 3.715 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1[O-] ZINC000775644584 1036182408 /nfs/dbraw/zinc/18/24/08/1036182408.db2.gz PFWVJKNVOFRWFA-UHFFFAOYSA-N 0 3 319.788 3.715 20 10 DHCDHN C[C@@H]([NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001183354421 1036572493 /nfs/dbraw/zinc/57/24/93/1036572493.db2.gz BHAUARWSBKUKRM-SCTDSRPQSA-N 0 3 324.468 3.953 20 10 DHCDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000774832200 1037047115 /nfs/dbraw/zinc/04/71/15/1037047115.db2.gz LASAEJNJAWVJLE-FXAWDEMLSA-N 0 3 311.425 3.964 20 10 DHCDHN CN(C)c1ccc(CN(C[C@@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000917074008 1038161328 /nfs/dbraw/zinc/16/13/28/1038161328.db2.gz MTKRPPAYAPFTHE-ZDUSSCGKSA-N 0 3 313.272 3.911 20 10 DHCDHN C[C@H](NCc1cnc(C2CC2)s1)c1ccc(N(C)C)cc1 ZINC000775363921 1038274876 /nfs/dbraw/zinc/27/48/76/1038274876.db2.gz NNEMCNXBDFOLAW-LBPRGKRZSA-N 0 3 301.459 3.937 20 10 DHCDHN COc1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000775371419 1038288668 /nfs/dbraw/zinc/28/86/68/1038288668.db2.gz NXDPEICRPGKPQW-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@H]1CCCO1 ZINC000057100952 1038565552 /nfs/dbraw/zinc/56/55/52/1038565552.db2.gz UQUCDTDACFESTC-MRXNPFEDSA-N 0 3 315.413 3.555 20 10 DHCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@H]1CCCO1 ZINC000057100952 1038565558 /nfs/dbraw/zinc/56/55/58/1038565558.db2.gz UQUCDTDACFESTC-MRXNPFEDSA-N 0 3 315.413 3.555 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000775519423 1038621121 /nfs/dbraw/zinc/62/11/21/1038621121.db2.gz OGNSMNVUFCUBHM-INIZCTEOSA-N 0 3 307.340 3.790 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000775519425 1038621691 /nfs/dbraw/zinc/62/16/91/1038621691.db2.gz OGNSMNVUFCUBHM-MRXNPFEDSA-N 0 3 307.340 3.790 20 10 DHCDHN CC[C@H]([NH2+]CCCOc1cccc(OC)c1)c1ccccc1[O-] ZINC000775526851 1038646302 /nfs/dbraw/zinc/64/63/02/1038646302.db2.gz MECQRXVFYCOPTB-SFHVURJKSA-N 0 3 315.413 3.911 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000775539261 1038680633 /nfs/dbraw/zinc/68/06/33/1038680633.db2.gz DKTODSMWZCOUBK-QZDWLRDRSA-N 0 3 319.445 3.755 20 10 DHCDHN CC(C)N(C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227436256 1040262288 /nfs/dbraw/zinc/26/22/88/1040262288.db2.gz CBKHEKHWASYXJY-UHFFFAOYSA-N 0 3 305.249 3.519 20 10 DHCDHN CC(C)[N@H+](C)CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000227436256 1040262301 /nfs/dbraw/zinc/26/23/01/1040262301.db2.gz CBKHEKHWASYXJY-UHFFFAOYSA-N 0 3 305.249 3.519 20 10 DHCDHN CC(C)[N@@H+](C)CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000227436256 1040262308 /nfs/dbraw/zinc/26/23/08/1040262308.db2.gz CBKHEKHWASYXJY-UHFFFAOYSA-N 0 3 305.249 3.519 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCc1ccc(Br)s1 ZINC000227440084 1040263262 /nfs/dbraw/zinc/26/32/62/1040263262.db2.gz KQXCWZXOBRDFPL-UHFFFAOYSA-N 0 3 312.232 3.549 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c1[O-] ZINC000761226337 1040822573 /nfs/dbraw/zinc/82/25/73/1040822573.db2.gz OWPUXSSIBLXAHB-UHFFFAOYSA-N 0 3 320.820 3.783 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000800527193 1040943226 /nfs/dbraw/zinc/94/32/26/1040943226.db2.gz XULSTIWCWRVODV-SNVBAGLBSA-N 0 3 319.779 3.969 20 10 DHCDHN CCOc1cccc(CNC(C)(C)c2cccc(F)c2)c1O ZINC000076902055 185052958 /nfs/dbraw/zinc/05/29/58/185052958.db2.gz IOEKGLCZTJMBTI-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN CCOc1cccc(C[NH2+]C(C)(C)c2cccc(F)c2)c1[O-] ZINC000076902055 185052960 /nfs/dbraw/zinc/05/29/60/185052960.db2.gz IOEKGLCZTJMBTI-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000079121645 185159686 /nfs/dbraw/zinc/15/96/86/185159686.db2.gz PFGWMRGCYIWTGJ-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN Cc1ccc2cc(CNCc3ccc(N(C)C)cc3)ccc2n1 ZINC000187636146 200137628 /nfs/dbraw/zinc/13/76/28/200137628.db2.gz HDZBRXILHIKRAO-UHFFFAOYSA-N 0 3 305.425 3.899 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c([O-])c1 ZINC000019233403 182110783 /nfs/dbraw/zinc/11/07/83/182110783.db2.gz REJNGCUASUNVPM-ZFWWWQNUSA-N 0 3 304.459 3.716 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000272900408 130072184 /nfs/dbraw/zinc/07/21/84/130072184.db2.gz UZWNTZWZAQVWAO-AOIWGVFYSA-N 0 3 324.468 3.953 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343771 130109955 /nfs/dbraw/zinc/10/99/55/130109955.db2.gz AFKMKBFYFAKZLO-HUUCEWRRSA-N 0 3 319.445 3.933 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1C ZINC000273345786 130110219 /nfs/dbraw/zinc/11/02/19/130110219.db2.gz AQZXLYQFBYIQNJ-HDMKZQKVSA-N 0 3 321.486 3.714 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])cc1OC ZINC000273362537 130110657 /nfs/dbraw/zinc/11/06/57/130110657.db2.gz DFHWTBYWLBBMCB-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273386946 130115834 /nfs/dbraw/zinc/11/58/34/130115834.db2.gz JSGHDPPJZQFBAB-DYVFJYSZSA-N 0 3 303.377 3.532 20 10 DHCDHN C[C@H]([NH2+]CC1(C)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273453848 130123849 /nfs/dbraw/zinc/12/38/49/130123849.db2.gz GPARVZVITHOOMM-AWEZNQCLSA-N 0 3 303.446 3.738 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273449310 130124162 /nfs/dbraw/zinc/12/41/62/130124162.db2.gz FSTCXVMMTOIDIG-CKFHNAJUSA-N 0 3 317.404 3.921 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000273506813 130130945 /nfs/dbraw/zinc/13/09/45/130130945.db2.gz RBTWRSOITUUTSX-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273555641 130136416 /nfs/dbraw/zinc/13/64/16/130136416.db2.gz GWQUKIZRGSJTGO-CYBMUJFWSA-N 0 3 300.358 3.502 20 10 DHCDHN CCc1noc(CC)c1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000273562972 130137319 /nfs/dbraw/zinc/13/73/19/130137319.db2.gz IQRTYSWUSNFPOL-ZDUSSCGKSA-N 0 3 302.418 3.973 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccccc1[O-] ZINC000274874674 130269094 /nfs/dbraw/zinc/26/90/94/130269094.db2.gz GJDORPNELJBBIJ-HOTGVXAUSA-N 0 3 304.459 3.797 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1cccc(F)c1)c1ccccc1[O-] ZINC000274959956 130277936 /nfs/dbraw/zinc/27/79/36/130277936.db2.gz WJVQVWZVLUEMPF-PZPSRYQVSA-N 0 3 303.377 3.694 20 10 DHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cncc(F)c1 ZINC000275127199 130292657 /nfs/dbraw/zinc/29/26/57/130292657.db2.gz KXANQPQOEOOUGK-UHFFFAOYSA-N 0 3 301.409 3.697 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c([O-])c1 ZINC000284059395 131045190 /nfs/dbraw/zinc/04/51/90/131045190.db2.gz KQQJHWWFHFSBHN-OAHLLOKOSA-N 0 3 302.462 3.534 20 10 DHCDHN COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c1[O-] ZINC000288517126 131329286 /nfs/dbraw/zinc/32/92/86/131329286.db2.gz UHMQXGUKUSAQRO-DGCLKSJQSA-N 0 3 317.351 3.859 20 10 DHCDHN COC[C@@H](NCc1cc(C)ccc1O)c1cccc(Cl)c1 ZINC000288689190 131335292 /nfs/dbraw/zinc/33/52/92/131335292.db2.gz XSEPLADUKMNHEU-MRXNPFEDSA-N 0 3 305.805 3.831 20 10 DHCDHN COc1ccc(O)c(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000295119610 131884430 /nfs/dbraw/zinc/88/44/30/131884430.db2.gz XELXIXLXSWVJBM-JQWIXIFHSA-N 0 3 303.324 3.564 20 10 DHCDHN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870325 131926138 /nfs/dbraw/zinc/92/61/38/131926138.db2.gz GDYNSSQCOMASIB-KBXCAEBGSA-N 0 3 300.450 3.771 20 10 DHCDHN CCOc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1OC ZINC000297498182 132019704 /nfs/dbraw/zinc/01/97/04/132019704.db2.gz BVHPLPKLPAVEHI-OAHLLOKOSA-N 0 3 313.397 3.577 20 10 DHCDHN Cc1noc(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298697709 132074296 /nfs/dbraw/zinc/07/42/96/132074296.db2.gz GHTQXWMGXHCRML-UHFFFAOYSA-N 0 3 301.434 3.768 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c([O-])c1 ZINC000293898656 335115451 /nfs/dbraw/zinc/11/54/51/335115451.db2.gz WINRCNQGFRKZSL-SUMWQHHRSA-N 0 3 303.377 3.532 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000185405118 333208447 /nfs/dbraw/zinc/20/84/47/333208447.db2.gz SGAVBXPXZOUWII-ZIAGYGMSSA-N 0 3 313.397 3.618 20 10 DHCDHN C[C@@H](CCCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294817343 335127827 /nfs/dbraw/zinc/12/78/27/335127827.db2.gz QEMFVTIPXANOOU-QFBILLFUSA-N 0 3 313.441 3.817 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000294804122 335127931 /nfs/dbraw/zinc/12/79/31/335127931.db2.gz PEAXCWXKQOYEAY-CYBMUJFWSA-N 0 3 300.358 3.768 20 10 DHCDHN COc1cccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000295029779 335129921 /nfs/dbraw/zinc/12/99/21/335129921.db2.gz NTSZSHSICZKLEK-ZYHUDNBSSA-N 0 3 303.324 3.564 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000184999128 333368692 /nfs/dbraw/zinc/36/86/92/333368692.db2.gz KXPHJSZVVVPIQL-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN COc1cccc(CN[C@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000295972142 335139024 /nfs/dbraw/zinc/13/90/24/335139024.db2.gz ITKHLKWSJLBCDW-INIZCTEOSA-N 0 3 319.351 3.846 20 10 DHCDHN C[C@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(Cl)c1 ZINC000296335868 335143767 /nfs/dbraw/zinc/14/37/67/335143767.db2.gz GQEXIQLAOMGNMC-YJBOKZPZSA-N 0 3 317.816 3.530 20 10 DHCDHN C[C@@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000296562204 335146219 /nfs/dbraw/zinc/14/62/19/335146219.db2.gz ULSZEMPBOYCENW-MAUKXSAKSA-N 0 3 317.816 3.530 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1[O-] ZINC000192927852 336284586 /nfs/dbraw/zinc/28/45/86/336284586.db2.gz VEUCCDHKVJVLNP-SFHVURJKSA-N 0 3 324.424 3.760 20 10 DHCDHN CCCn1nccc1C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000367250949 336570384 /nfs/dbraw/zinc/57/03/84/336570384.db2.gz MSGQNQIHSVUGAL-UHFFFAOYSA-N 0 3 313.445 3.687 20 10 DHCDHN C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000368814903 336853308 /nfs/dbraw/zinc/85/33/08/336853308.db2.gz XHRXWACQEJDRKQ-ZBQZNYHESA-N 0 3 315.388 3.960 20 10 DHCDHN CCCn1nccc1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000374374489 336988426 /nfs/dbraw/zinc/98/84/26/336988426.db2.gz WOQCBUASDOZOKC-UHFFFAOYSA-N 0 3 317.408 3.517 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1C ZINC000374495188 336990577 /nfs/dbraw/zinc/99/05/77/336990577.db2.gz HOQOXIFDKRGILB-XLIONFOSSA-N 0 3 311.425 3.876 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000374710127 336995562 /nfs/dbraw/zinc/99/55/62/336995562.db2.gz BUYCRSQPANTYCH-IXDGSTSKSA-N 0 3 314.404 3.627 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)c([O-])c1C ZINC000375234182 337006170 /nfs/dbraw/zinc/00/61/70/337006170.db2.gz PMWDVVBHEKGSQQ-HUUCEWRRSA-N 0 3 324.424 3.786 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375256589 337006624 /nfs/dbraw/zinc/00/66/24/337006624.db2.gz SUJQRTGGXMKBLT-AZUAARDMSA-N 0 3 309.409 3.975 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375256589 337006625 /nfs/dbraw/zinc/00/66/25/337006625.db2.gz SUJQRTGGXMKBLT-AZUAARDMSA-N 0 3 309.409 3.975 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000375254461 337006674 /nfs/dbraw/zinc/00/66/74/337006674.db2.gz ZEWHIXZDUQXMGW-GOSISDBHSA-N 0 3 313.445 3.939 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000305750354 337035636 /nfs/dbraw/zinc/03/56/36/337035636.db2.gz ZHUKPQQIOQOBHJ-AEFFLSMTSA-N 0 3 315.413 3.854 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000305750354 337035637 /nfs/dbraw/zinc/03/56/37/337035637.db2.gz ZHUKPQQIOQOBHJ-AEFFLSMTSA-N 0 3 315.413 3.854 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000376674026 337039438 /nfs/dbraw/zinc/03/94/38/337039438.db2.gz SSANLKGWRICCDS-UHFFFAOYSA-N 0 3 311.425 3.938 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c([O-])c1C ZINC000376896731 337043444 /nfs/dbraw/zinc/04/34/44/337043444.db2.gz OZFGDCHRZDKPPU-YOEHRIQHSA-N 0 3 324.424 3.786 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(C)cc1[O-] ZINC000377139106 337047536 /nfs/dbraw/zinc/04/75/36/337047536.db2.gz HVTXWEGFRUIBKJ-QGZVFWFLSA-N 0 3 322.412 3.522 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377624130 337056723 /nfs/dbraw/zinc/05/67/23/337056723.db2.gz GFPAGTLFAJWMSD-GOSISDBHSA-N 0 3 311.429 3.815 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000179562035 337170359 /nfs/dbraw/zinc/17/03/59/337170359.db2.gz CWRKSRHBLPRBPL-UHFFFAOYSA-N 0 3 300.377 3.608 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1[O-] ZINC000183559674 337192275 /nfs/dbraw/zinc/19/22/75/337192275.db2.gz BOFTZZAABMILBJ-GJZGRUSLSA-N 0 3 307.397 3.990 20 10 DHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1nc(-c2ccccc2)no1 ZINC000183631804 337193875 /nfs/dbraw/zinc/19/38/75/337193875.db2.gz RSJKWIRHRJGSLV-KGLIPLIRSA-N 0 3 323.396 3.897 20 10 DHCDHN Cc1cc(O)c(CN[C@H]2CCOc3c(F)cccc32)cc1C ZINC000191124801 337294450 /nfs/dbraw/zinc/29/44/50/337294450.db2.gz BNYIFXNHXVVSSL-INIZCTEOSA-N 0 3 301.361 3.762 20 10 DHCDHN COc1ccc([C@H](C)NCc2cc(C)c(C)cc2O)c(OC)c1 ZINC000527779513 337763534 /nfs/dbraw/zinc/76/35/34/337763534.db2.gz JHHBOMZCVSKKTN-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN COc1ccc(C(C)(C)[NH2+]Cc2cc(F)ccc2[O-])cc1F ZINC000529654517 340766940 /nfs/dbraw/zinc/76/69/40/340766940.db2.gz WMPCIXZVFINDAC-UHFFFAOYSA-N 0 3 307.340 3.704 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000134230428 341210284 /nfs/dbraw/zinc/21/02/84/341210284.db2.gz FPVZOXBLBRTTEG-OAHLLOKOSA-N 0 3 318.214 3.932 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000182623768 524871075 /nfs/dbraw/zinc/87/10/75/524871075.db2.gz ALFSMMSHQZSQHK-OAHLLOKOSA-N 0 3 309.837 3.935 20 10 DHCDHN COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000266968522 525340736 /nfs/dbraw/zinc/34/07/36/525340736.db2.gz NCLFGYUDONSTSL-ZIAGYGMSSA-N 0 3 315.413 3.691 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c1 ZINC000185839535 525364045 /nfs/dbraw/zinc/36/40/45/525364045.db2.gz QZIWXSINKJBMFA-WWGRRREGSA-N 0 3 305.443 3.925 20 10 DHCDHN C[C@H](NCc1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156498958 525469629 /nfs/dbraw/zinc/46/96/29/525469629.db2.gz BABQHINNVPTPCW-ZDUSSCGKSA-N 0 3 320.433 3.575 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cc(F)ccc1[O-] ZINC000186507836 525527679 /nfs/dbraw/zinc/52/76/79/525527679.db2.gz PEBURNONXVMMRZ-GFCCVEGCSA-N 0 3 318.392 3.954 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163823012 525609234 /nfs/dbraw/zinc/60/92/34/525609234.db2.gz JGNUWIKAZLLLIN-JKSUJKDBSA-N 0 3 312.461 3.822 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([O-])c1C ZINC000134787694 525748942 /nfs/dbraw/zinc/74/89/42/525748942.db2.gz GDRAVYHQAVHPBK-KCMWZYNZSA-N 0 3 301.430 3.617 20 10 DHCDHN Cc1c([C@H](C)NCc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000160541565 525920122 /nfs/dbraw/zinc/92/01/22/525920122.db2.gz SHEUBINELCCUPU-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1cc(C)ccc1[O-] ZINC000366370147 527103810 /nfs/dbraw/zinc/10/38/10/527103810.db2.gz JEUWLADGIYKXEN-CYBMUJFWSA-N 0 3 302.443 3.675 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)cc1[O-] ZINC000285719542 535894042 /nfs/dbraw/zinc/89/40/42/535894042.db2.gz QAOJHJSAHXTULA-KRWDZBQOSA-N 0 3 308.441 3.692 20 10 DHCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000271604003 536934745 /nfs/dbraw/zinc/93/47/45/536934745.db2.gz YXMJWBQWYNKUKJ-AUUYWEPGSA-N 0 3 315.413 3.575 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077220982 1013855346 /nfs/dbraw/zinc/85/53/46/1013855346.db2.gz OIXJPFUWEMMMQW-UHFFFAOYSA-N 0 3 313.401 3.731 20 10 DHCDHN COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000237177682 1014315023 /nfs/dbraw/zinc/31/50/23/1014315023.db2.gz NJIKTVWUYPEIRS-AWEZNQCLSA-N 0 3 317.454 3.919 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425449 1015480637 /nfs/dbraw/zinc/48/06/37/1015480637.db2.gz AATRWPWNGHSPBD-RBUKOAKNSA-N 0 3 322.452 3.806 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896515610 1015617055 /nfs/dbraw/zinc/61/70/55/1015617055.db2.gz GXHNISFFKLYSAJ-CQSZACIVSA-N 0 3 314.454 3.717 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896515610 1015617057 /nfs/dbraw/zinc/61/70/57/1015617057.db2.gz GXHNISFFKLYSAJ-CQSZACIVSA-N 0 3 314.454 3.717 20 10 DHCDHN CCC[N@H+](Cc1cccc2[nH]c(=O)oc21)Cc1ccccc1[O-] ZINC000891854429 1015688625 /nfs/dbraw/zinc/68/86/25/1015688625.db2.gz YULDXEQUFXWBFI-UHFFFAOYSA-N 0 3 312.369 3.651 20 10 DHCDHN CCC[N@@H+](Cc1cccc2[nH]c(=O)oc21)Cc1ccccc1[O-] ZINC000891854429 1015688628 /nfs/dbraw/zinc/68/86/28/1015688628.db2.gz YULDXEQUFXWBFI-UHFFFAOYSA-N 0 3 312.369 3.651 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cc(F)ccc1OC ZINC000896688438 1015705331 /nfs/dbraw/zinc/70/53/31/1015705331.db2.gz LRHNHDWFSKPDQB-OAHLLOKOSA-N 0 3 307.340 3.920 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1[O-] ZINC000399575835 1016167678 /nfs/dbraw/zinc/16/76/78/1016167678.db2.gz HWNRMLLLBUYZHS-SRVKXCTJSA-N 0 3 312.251 3.939 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1[O-] ZINC000399575835 1016167682 /nfs/dbraw/zinc/16/76/82/1016167682.db2.gz HWNRMLLLBUYZHS-SRVKXCTJSA-N 0 3 312.251 3.939 20 10 DHCDHN CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])CC(C)C ZINC000184949592 1016463545 /nfs/dbraw/zinc/46/35/45/1016463545.db2.gz ZCFFGIVFVHJKDV-GJZGRUSLSA-N 0 3 322.449 3.512 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c([O-])c1 ZINC000185032780 1016504409 /nfs/dbraw/zinc/50/44/09/1016504409.db2.gz CBFSGHUCXMCNBY-HNNXBMFYSA-N 0 3 307.397 3.737 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c([O-])c1 ZINC000185091780 1016549461 /nfs/dbraw/zinc/54/94/61/1016549461.db2.gz QJGISTZSNSJANB-FUHWJXTLSA-N 0 3 312.457 3.524 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c([O-])c1 ZINC000185091762 1016550359 /nfs/dbraw/zinc/55/03/59/1016550359.db2.gz QJGISTZSNSJANB-SJLPKXTDSA-N 0 3 312.457 3.524 20 10 DHCDHN Cc1ccc2c(C[N@H+](C)Cc3ccccc3[O-])cc(=O)oc2c1C ZINC000111235937 1016746708 /nfs/dbraw/zinc/74/67/08/1016746708.db2.gz UZUVVVHJTRIKNF-UHFFFAOYSA-N 0 3 323.392 3.747 20 10 DHCDHN Cc1ccc2c(C[N@@H+](C)Cc3ccccc3[O-])cc(=O)oc2c1C ZINC000111235937 1016746719 /nfs/dbraw/zinc/74/67/19/1016746719.db2.gz UZUVVVHJTRIKNF-UHFFFAOYSA-N 0 3 323.392 3.747 20 10 DHCDHN Cc1ccc2c(CN(C)Cc3ccccc3O)cc(=O)oc2c1C ZINC000111235937 1016746730 /nfs/dbraw/zinc/74/67/30/1016746730.db2.gz UZUVVVHJTRIKNF-UHFFFAOYSA-N 0 3 323.392 3.747 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000192783952 1017058952 /nfs/dbraw/zinc/05/89/52/1017058952.db2.gz VYKGTFFLEAIIFZ-ZIAGYGMSSA-N 0 3 313.397 3.884 20 10 DHCDHN Cc1cc(CN[C@H](C)c2cnn(C(C)C)c2)ccc1N(C)C ZINC000772996724 1032451279 /nfs/dbraw/zinc/45/12/79/1032451279.db2.gz GTBZXUUCTNBENM-OAHLLOKOSA-N 0 3 300.450 3.689 20 10 DHCDHN Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091956448 1032466221 /nfs/dbraw/zinc/46/62/21/1032466221.db2.gz YDVYCDRASKWQRR-UHFFFAOYSA-N 0 3 307.397 3.723 20 10 DHCDHN Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091956448 1032466225 /nfs/dbraw/zinc/46/62/25/1032466225.db2.gz YDVYCDRASKWQRR-UHFFFAOYSA-N 0 3 307.397 3.723 20 10 DHCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921501615 1017250878 /nfs/dbraw/zinc/25/08/78/1017250878.db2.gz LQADOUCNLMBVOM-AWEZNQCLSA-N 0 3 324.424 3.821 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926911095 1032698246 /nfs/dbraw/zinc/69/82/46/1032698246.db2.gz LIXFFVYNRGUECE-MJVIPROJSA-N 0 3 303.324 3.543 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000766082707 1018195511 /nfs/dbraw/zinc/19/55/11/1018195511.db2.gz BESJYZSKYZNITF-CQSZACIVSA-N 0 3 316.424 3.698 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858299216 1032836157 /nfs/dbraw/zinc/83/61/57/1032836157.db2.gz RHBZBMOSLMXEAW-CQSZACIVSA-N 0 3 320.795 3.553 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c([O-])c1 ZINC000186183830 1019614023 /nfs/dbraw/zinc/61/40/23/1019614023.db2.gz YAGVSTOOXFUVAJ-LSDHHAIUSA-N 0 3 322.412 3.693 20 10 DHCDHN CCC[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000727830939 1019819734 /nfs/dbraw/zinc/81/97/34/1019819734.db2.gz WXFWZURRMREWEX-UHFFFAOYSA-N 0 3 313.397 3.576 20 10 DHCDHN CCC[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000727830939 1019819751 /nfs/dbraw/zinc/81/97/51/1019819751.db2.gz WXFWZURRMREWEX-UHFFFAOYSA-N 0 3 313.397 3.576 20 10 DHCDHN c1csc(SCCCN[C@@H]2CCCc3scnc32)n1 ZINC000858365159 1032864347 /nfs/dbraw/zinc/86/43/47/1032864347.db2.gz KKTGDGKMIUQZSU-SNVBAGLBSA-N 0 3 311.501 3.749 20 10 DHCDHN COc1ccnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000730378395 1019980040 /nfs/dbraw/zinc/98/00/40/1019980040.db2.gz CQKNYDBSROJOKD-UHFFFAOYSA-N 0 3 313.445 3.567 20 10 DHCDHN Cc1noc(C)c1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000730578300 1020002991 /nfs/dbraw/zinc/00/29/91/1020002991.db2.gz JDYCIVXTBZLCAS-UHFFFAOYSA-N 0 3 322.408 3.996 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000765992304 1020126867 /nfs/dbraw/zinc/12/68/67/1020126867.db2.gz IFWTXOQZYACQMP-SJORKVTESA-N 0 3 322.880 3.788 20 10 DHCDHN CCC(CC)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765992184 1020134869 /nfs/dbraw/zinc/13/48/69/1020134869.db2.gz HAPHUTCSINCMPS-INIZCTEOSA-N 0 3 310.869 3.788 20 10 DHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccccc1 ZINC000731845913 1020158351 /nfs/dbraw/zinc/15/83/51/1020158351.db2.gz NFOWYQOBQSGMBF-UHFFFAOYSA-N 0 3 324.424 3.776 20 10 DHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccccc1 ZINC000731845913 1020158359 /nfs/dbraw/zinc/15/83/59/1020158359.db2.gz NFOWYQOBQSGMBF-UHFFFAOYSA-N 0 3 324.424 3.776 20 10 DHCDHN CN(C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CCCCC1 ZINC000733324412 1020371001 /nfs/dbraw/zinc/37/10/01/1020371001.db2.gz ACMNQMIWHBHYRS-MRXNPFEDSA-N 0 3 310.869 3.646 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000765819665 1020391744 /nfs/dbraw/zinc/39/17/44/1020391744.db2.gz VOHQHAMSAMMTMB-TYRIBLQHSA-N 0 3 305.393 3.627 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(C)cc1[O-] ZINC000858452888 1032903045 /nfs/dbraw/zinc/90/30/45/1032903045.db2.gz HTAPNNBUQBNSAW-HKUYNNGSSA-N 0 3 311.425 3.883 20 10 DHCDHN COc1ccc(OCCC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000179883032 1020565038 /nfs/dbraw/zinc/56/50/38/1020565038.db2.gz GCIRFVGGKDRWMJ-AWEZNQCLSA-N 0 3 301.386 3.521 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000858490187 1032918020 /nfs/dbraw/zinc/91/80/20/1032918020.db2.gz CTVWVHZYGQTULU-BBRMVZONSA-N 0 3 310.869 3.818 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000738098968 1020860386 /nfs/dbraw/zinc/86/03/86/1020860386.db2.gz MMOOKSJMHFIEDJ-SFHVURJKSA-N 0 3 324.468 3.996 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000738098968 1020860393 /nfs/dbraw/zinc/86/03/93/1020860393.db2.gz MMOOKSJMHFIEDJ-SFHVURJKSA-N 0 3 324.468 3.996 20 10 DHCDHN CCN(C)c1ccc(CN(C)Cc2ccc(OC)c(F)c2)cc1 ZINC000741752953 1021048888 /nfs/dbraw/zinc/04/88/88/1021048888.db2.gz KJIHSWCUXKRFET-UHFFFAOYSA-N 0 3 316.420 3.922 20 10 DHCDHN C[C@H]1CCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742386331 1021109436 /nfs/dbraw/zinc/10/94/36/1021109436.db2.gz ARTBKBXHCYPVHJ-INIZCTEOSA-N 0 3 310.441 3.633 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000742372241 1021113355 /nfs/dbraw/zinc/11/33/55/1021113355.db2.gz KIMSLRCOCQCYHS-BEFAXECRSA-N 0 3 311.425 3.700 20 10 DHCDHN CO[C@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000858584997 1032958140 /nfs/dbraw/zinc/95/81/40/1032958140.db2.gz ZJQMUXLQDSNNTL-LNLFQRSKSA-N 0 3 311.425 3.833 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cc(F)ccc1[O-] ZINC000176981707 1021189496 /nfs/dbraw/zinc/18/94/96/1021189496.db2.gz LCVOHFUWMPQMOJ-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000176985205 1021191354 /nfs/dbraw/zinc/19/13/54/1021191354.db2.gz XLNNGUGNSPCUNI-STQMWFEESA-N 0 3 303.377 3.909 20 10 DHCDHN COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000176983559 1021191696 /nfs/dbraw/zinc/19/16/96/1021191696.db2.gz MYCAJWVNMCDFSX-RYUDHWBXSA-N 0 3 319.376 3.960 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000176983379 1021191846 /nfs/dbraw/zinc/19/18/46/1021191846.db2.gz GLSQLUMJYUDWPG-NEPJUHHUSA-N 0 3 317.360 3.714 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000850365872 1021490239 /nfs/dbraw/zinc/49/02/39/1021490239.db2.gz RYHKJBCXECGQFU-KRWDZBQOSA-N 0 3 319.351 3.573 20 10 DHCDHN Cc1ccc(O)c(CNCc2cccc(OC3CC3)c2F)c1 ZINC000850365710 1021490690 /nfs/dbraw/zinc/49/06/90/1021490690.db2.gz ZWPPGPDAPZDVGS-UHFFFAOYSA-N 0 3 301.361 3.671 20 10 DHCDHN COc1cccc(OC)c1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000850505217 1021565288 /nfs/dbraw/zinc/56/52/88/1021565288.db2.gz PJKGYRVXMCZVRU-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000850505063 1021565572 /nfs/dbraw/zinc/56/55/72/1021565572.db2.gz LZLFXKWLFSIIEE-IAQYHMDHSA-N 0 3 317.351 3.933 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H](c3ccccc3)CO1)CC2 ZINC000850532328 1021586510 /nfs/dbraw/zinc/58/65/10/1021586510.db2.gz SOFQWXMVYJBXPH-BZSNNMDCSA-N 0 3 309.409 3.542 20 10 DHCDHN Cn1cc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000850533728 1021588659 /nfs/dbraw/zinc/58/86/59/1021588659.db2.gz BVFOUJRGZOVOFD-KRWDZBQOSA-N 0 3 306.409 3.704 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000293954479 1021698584 /nfs/dbraw/zinc/69/85/84/1021698584.db2.gz ZMVUKVDUKGIVRI-LYSIVYOWSA-N 0 3 323.436 3.976 20 10 DHCDHN C[N@H+](Cc1ccc(Br)cc1)Cc1ccccc1[O-] ZINC000109772543 1021746695 /nfs/dbraw/zinc/74/66/95/1021746695.db2.gz PSEYZDZTLHQUNL-UHFFFAOYSA-N 0 3 306.203 3.787 20 10 DHCDHN C[N@@H+](Cc1ccc(Br)cc1)Cc1ccccc1[O-] ZINC000109772543 1021746712 /nfs/dbraw/zinc/74/67/12/1021746712.db2.gz PSEYZDZTLHQUNL-UHFFFAOYSA-N 0 3 306.203 3.787 20 10 DHCDHN COc1ccc(CN(C)Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000119650689 1021803588 /nfs/dbraw/zinc/80/35/88/1021803588.db2.gz SOUWGWIZSNYXTK-UHFFFAOYSA-N 0 3 315.413 3.658 20 10 DHCDHN CCCN(Cc1ccccc1F)Cc1cc2c(cc1O)OCO2 ZINC000746038299 1021827873 /nfs/dbraw/zinc/82/78/73/1021827873.db2.gz NRNDRWHSSXCXJM-UHFFFAOYSA-N 0 3 317.360 3.672 20 10 DHCDHN C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756363391 1022093667 /nfs/dbraw/zinc/09/36/67/1022093667.db2.gz OAGYBTPRNUACAS-QWHCGFSZSA-N 0 3 312.404 3.586 20 10 DHCDHN CCOCc1cc(CN[C@@H](C)CC(F)(F)F)ccc1OC ZINC000766480482 1022128456 /nfs/dbraw/zinc/12/84/56/1022128456.db2.gz WFQAKQCZDSBSAM-NSHDSACASA-N 0 3 305.340 3.662 20 10 DHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCc2sccc2C1 ZINC000183455790 1022147276 /nfs/dbraw/zinc/14/72/76/1022147276.db2.gz QTUNFNUWTZLSSZ-KBPBESRZSA-N 0 3 316.470 3.551 20 10 DHCDHN CCC[N@H+](CCOc1ccccc1OC)Cc1ccccc1[O-] ZINC000110735874 1022150298 /nfs/dbraw/zinc/15/02/98/1022150298.db2.gz SWBOWWWHZXSHCB-UHFFFAOYSA-N 0 3 315.413 3.692 20 10 DHCDHN CCC[N@@H+](CCOc1ccccc1OC)Cc1ccccc1[O-] ZINC000110735874 1022150302 /nfs/dbraw/zinc/15/03/02/1022150302.db2.gz SWBOWWWHZXSHCB-UHFFFAOYSA-N 0 3 315.413 3.692 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239126 1022238981 /nfs/dbraw/zinc/23/89/81/1022238981.db2.gz AKDOHSUEZDQAOY-ZFWWWQNUSA-N 0 3 322.880 3.818 20 10 DHCDHN C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000853240552 1022242772 /nfs/dbraw/zinc/24/27/72/1022242772.db2.gz HVLRQNWUEZTIEA-SECBINFHSA-N 0 3 314.282 3.796 20 10 DHCDHN Cc1nn(C)c(C)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000111245083 1022261923 /nfs/dbraw/zinc/26/19/23/1022261923.db2.gz MWEIMTZIEXMTAU-UHFFFAOYSA-N 0 3 313.445 3.687 20 10 DHCDHN Cc1nn(C)c(C)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000111245083 1022261930 /nfs/dbraw/zinc/26/19/30/1022261930.db2.gz MWEIMTZIEXMTAU-UHFFFAOYSA-N 0 3 313.445 3.687 20 10 DHCDHN COc1cc(C)cc(CN2CCOc3ccccc3[C@H]2C)c1O ZINC000853628873 1022301479 /nfs/dbraw/zinc/30/14/79/1022301479.db2.gz DTUYQBAJBAKGTB-CQSZACIVSA-N 0 3 313.397 3.665 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccccc1[O-] ZINC000183444236 1022346418 /nfs/dbraw/zinc/34/64/18/1022346418.db2.gz PUGIAUFMCRSUNA-NWDGAFQWSA-N 0 3 307.340 3.789 20 10 DHCDHN CCN(CC)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000185228291 1022469275 /nfs/dbraw/zinc/46/92/75/1022469275.db2.gz XVMRLGLVQARBMC-CZUORRHYSA-N 0 3 320.408 3.858 20 10 DHCDHN C[C@](CO)(NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000237635592 1022473359 /nfs/dbraw/zinc/47/33/59/1022473359.db2.gz FCORJUBPUXBSKT-OAQYLSRUSA-N 0 3 324.468 3.674 20 10 DHCDHN Cc1cc(O)c(CNC(C)(C)c2nc3ccccc3n2C)cc1C ZINC000185635193 1022509186 /nfs/dbraw/zinc/50/91/86/1022509186.db2.gz RJQQYIPMXPPMIU-UHFFFAOYSA-N 0 3 323.440 3.921 20 10 DHCDHN COc1cc(C[N@H+](C)Cc2cc(F)ccc2[O-])ccc1SC ZINC000180014162 1022614622 /nfs/dbraw/zinc/61/46/22/1022614622.db2.gz VNPJTELROTXBHA-UHFFFAOYSA-N 0 3 321.417 3.894 20 10 DHCDHN COc1cc(C[N@@H+](C)Cc2cc(F)ccc2[O-])ccc1SC ZINC000180014162 1022614625 /nfs/dbraw/zinc/61/46/25/1022614625.db2.gz VNPJTELROTXBHA-UHFFFAOYSA-N 0 3 321.417 3.894 20 10 DHCDHN CC[C@H](NCc1cnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000367439385 1022704322 /nfs/dbraw/zinc/70/43/22/1022704322.db2.gz UFNWLGFZIAKBTG-SFHVURJKSA-N 0 3 312.461 3.526 20 10 DHCDHN Cc1cccc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1O ZINC000180396245 1022718370 /nfs/dbraw/zinc/71/83/70/1022718370.db2.gz XVJGFOMCFXYUBV-KDOFPFPSSA-N 0 3 315.388 3.802 20 10 DHCDHN CCCN(Cc1cn2c(cccc2C)n1)Cc1ccccc1O ZINC000068973652 1022823199 /nfs/dbraw/zinc/82/31/99/1022823199.db2.gz BITWFBZXMKRDLJ-UHFFFAOYSA-N 0 3 309.413 3.761 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CCSCC1 ZINC000876532047 1033084770 /nfs/dbraw/zinc/08/47/70/1033084770.db2.gz XJEFQYKLXYWUFM-KRWDZBQOSA-N 0 3 321.486 3.516 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CCSCC1 ZINC000876532047 1033084783 /nfs/dbraw/zinc/08/47/83/1033084783.db2.gz XJEFQYKLXYWUFM-KRWDZBQOSA-N 0 3 321.486 3.516 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000768162058 1022907308 /nfs/dbraw/zinc/90/73/08/1022907308.db2.gz KGVAPDDWDAUUQL-AEFFLSMTSA-N 0 3 301.430 3.730 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000768162058 1022907316 /nfs/dbraw/zinc/90/73/16/1022907316.db2.gz KGVAPDDWDAUUQL-AEFFLSMTSA-N 0 3 301.430 3.730 20 10 DHCDHN CCOc1ccc(C[N@H+](C)CCOc2cccc(C)c2)c([O-])c1 ZINC000768212577 1022924382 /nfs/dbraw/zinc/92/43/82/1022924382.db2.gz LXJSUEGIUFYCMD-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)CCOc2cccc(C)c2)c([O-])c1 ZINC000768212577 1022924388 /nfs/dbraw/zinc/92/43/88/1022924388.db2.gz LXJSUEGIUFYCMD-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2c1c(F)ccc2[O-] ZINC000768239276 1022924473 /nfs/dbraw/zinc/92/44/73/1022924473.db2.gz IKXATOWMMCLITE-VZCRFNGMSA-N 0 3 317.404 3.627 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000876554306 1033089771 /nfs/dbraw/zinc/08/97/71/1033089771.db2.gz JMWDCCZMJPVDGN-UHFFFAOYSA-N 0 3 311.425 3.882 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cccc3cccnc31)CC2 ZINC000296129441 1023005025 /nfs/dbraw/zinc/00/50/25/1023005025.db2.gz VRUXOYJLZCJIFT-KRWDZBQOSA-N 0 3 304.393 3.760 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(OCCC(C)C)CC2)c([O-])c1 ZINC000768902423 1023052198 /nfs/dbraw/zinc/05/21/98/1023052198.db2.gz CAFHZGARXASYRO-UHFFFAOYSA-N 0 3 321.461 3.818 20 10 DHCDHN CCOc1cccc(CN(Cc2ccccn2)C(C)C)c1O ZINC000768926937 1023058059 /nfs/dbraw/zinc/05/80/59/1023058059.db2.gz UDFWNYMREXVPEO-UHFFFAOYSA-N 0 3 300.402 3.597 20 10 DHCDHN CCOc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC000768919990 1023058334 /nfs/dbraw/zinc/05/83/34/1023058334.db2.gz CWMXDAMHOUGYEJ-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC000768919990 1023058339 /nfs/dbraw/zinc/05/83/39/1023058339.db2.gz CWMXDAMHOUGYEJ-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN CCCN(Cc1ccccc1O)Cc1ccccc1C(=O)OC ZINC000769200646 1023101759 /nfs/dbraw/zinc/10/17/59/1023101759.db2.gz FUKKVLNNQXZTCV-UHFFFAOYSA-N 0 3 313.397 3.591 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC000769381035 1023135474 /nfs/dbraw/zinc/13/54/74/1023135474.db2.gz ZWAUJFYMQXUDAQ-CQSZACIVSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC000769381035 1023135476 /nfs/dbraw/zinc/13/54/76/1023135476.db2.gz ZWAUJFYMQXUDAQ-CQSZACIVSA-N 0 3 315.388 3.920 20 10 DHCDHN CC1(C)C[C@H]([NH2+]Cc2ccccc2[O-])CN1Cc1ccccc1 ZINC000771839106 1023474562 /nfs/dbraw/zinc/47/45/62/1023474562.db2.gz GCJJSSOGBBTJQS-SFHVURJKSA-N 0 3 310.441 3.535 20 10 DHCDHN COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000756707046 1023548700 /nfs/dbraw/zinc/54/87/00/1023548700.db2.gz KETTZNZJOYVLLL-STQMWFEESA-N 0 3 303.377 3.822 20 10 DHCDHN Cc1ncc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)s1 ZINC000756762863 1023739474 /nfs/dbraw/zinc/73/94/74/1023739474.db2.gz WFQACAKFEWPHOT-NOZJJQNGSA-N 0 3 306.406 3.677 20 10 DHCDHN CN1CCCc2cc(CN[C@H]3CCCc4ccc(O)cc43)ccc21 ZINC000788584746 1023910305 /nfs/dbraw/zinc/91/03/05/1023910305.db2.gz QAOJDYAGERKGJF-FQEVSTJZSA-N 0 3 322.452 3.942 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CCO)CCCCC2)c([O-])c1 ZINC000788629448 1023916740 /nfs/dbraw/zinc/91/67/40/1023916740.db2.gz VAQXDQLVRBBGBL-INIZCTEOSA-N 0 3 305.462 3.993 20 10 DHCDHN Cc1cccc(CN2CCN(c3ccccc3F)C[C@@H]2C)c1O ZINC000789590004 1024122525 /nfs/dbraw/zinc/12/25/25/1024122525.db2.gz OWAZNHCJOXNBAZ-HNNXBMFYSA-N 0 3 314.404 3.550 20 10 DHCDHN CCCN(CCC)c1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000270267663 1024372625 /nfs/dbraw/zinc/37/26/25/1024372625.db2.gz XDTXVAOCYAPYCZ-OAHLLOKOSA-N 0 3 300.450 3.887 20 10 DHCDHN COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000883331288 1024386443 /nfs/dbraw/zinc/38/64/43/1024386443.db2.gz VPCDEOXIEGAXAS-BBRMVZONSA-N 0 3 313.397 3.965 20 10 DHCDHN CN(C)CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000790966512 1024409471 /nfs/dbraw/zinc/40/94/71/1024409471.db2.gz VHLBJXYHMMDRKA-AWEZNQCLSA-N 0 3 316.848 3.641 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000271361107 1024494568 /nfs/dbraw/zinc/49/45/68/1024494568.db2.gz NHEOKKAHCQYVOL-HKUYNNGSSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000271361107 1024494574 /nfs/dbraw/zinc/49/45/74/1024494574.db2.gz NHEOKKAHCQYVOL-HKUYNNGSSA-N 0 3 315.388 3.619 20 10 DHCDHN CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443300 1024507659 /nfs/dbraw/zinc/50/76/59/1024507659.db2.gz GVDLWOUNTKXBLE-MOPGFXCFSA-N 0 3 316.420 3.666 20 10 DHCDHN CN(C)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000282844968 1024552933 /nfs/dbraw/zinc/55/29/33/1024552933.db2.gz CXFKSUBIKNLHCK-MRXNPFEDSA-N 0 3 322.811 3.577 20 10 DHCDHN Cc1ccc(C[NH2+]CCc2nc(C(F)(F)F)cs2)c([O-])c1 ZINC000877064072 1033222448 /nfs/dbraw/zinc/22/24/48/1033222448.db2.gz MBLAIEADKRTSEK-UHFFFAOYSA-N 0 3 316.348 3.508 20 10 DHCDHN CCn1ccc(CN(C)Cc2cc(Cl)cc(OC)c2O)c1 ZINC000792182332 1024644105 /nfs/dbraw/zinc/64/41/05/1024644105.db2.gz CDIYYQDZQOVKCO-UHFFFAOYSA-N 0 3 308.809 3.508 20 10 DHCDHN CCc1ccc([C@H]2CN(Cc3cc(C)ccc3O)CCO2)cc1 ZINC000792191389 1024646062 /nfs/dbraw/zinc/64/60/62/1024646062.db2.gz ZNAYRFFCXCAOFF-HXUWFJFHSA-N 0 3 311.425 3.837 20 10 DHCDHN COc1ccc(C[NH2+]CCCc2c(F)cccc2Cl)c([O-])c1 ZINC000793387151 1025028134 /nfs/dbraw/zinc/02/81/34/1025028134.db2.gz AAANYSFWFRHQRQ-UHFFFAOYSA-N 0 3 323.795 3.916 20 10 DHCDHN CCSc1cccc(C[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000793389428 1025032369 /nfs/dbraw/zinc/03/23/69/1025032369.db2.gz YENBHSQCRJSAQI-UHFFFAOYSA-N 0 3 303.427 3.803 20 10 DHCDHN Cc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000279624969 1025109325 /nfs/dbraw/zinc/10/93/25/1025109325.db2.gz BFNPMQNWXGIVGV-UHFFFAOYSA-N 0 3 321.424 3.887 20 10 DHCDHN COc1cccc(CN2CCC(CC(F)(F)F)CC2)c1O ZINC000793619525 1025134184 /nfs/dbraw/zinc/13/41/84/1025134184.db2.gz GMXRUMTZIHUSOK-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN Cc1cccc(CN[C@@H](C)c2ccc(Br)cn2)c1O ZINC000279787004 1025264138 /nfs/dbraw/zinc/26/41/38/1025264138.db2.gz LYNVYIXIOJDQKO-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000897459164 1025354809 /nfs/dbraw/zinc/35/48/09/1025354809.db2.gz IVFKBJCCCNHULV-CYBMUJFWSA-N 0 3 300.358 3.502 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336919 1033285707 /nfs/dbraw/zinc/28/57/07/1033285707.db2.gz QCONKIUQJYWBKG-VQIMIIECSA-N 0 3 315.388 3.850 20 10 DHCDHN CC(=O)Nc1ccccc1CNCc1c(C)c2ccccc2n1C ZINC000355138380 1025612602 /nfs/dbraw/zinc/61/26/02/1025612602.db2.gz UWIJVNHQQSUEJJ-UHFFFAOYSA-N 0 3 321.424 3.735 20 10 DHCDHN CCN(CC)c1ccc(CN[C@](C)(CO)c2ccccc2)cc1 ZINC000236937280 1025782594 /nfs/dbraw/zinc/78/25/94/1025782594.db2.gz RJPFDMQDRYLTCU-HXUWFJFHSA-N 0 3 312.457 3.530 20 10 DHCDHN CCN(CC)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729681602 1025929107 /nfs/dbraw/zinc/92/91/07/1025929107.db2.gz FGPGVOKIPPLXKP-INIZCTEOSA-N 0 3 312.457 3.879 20 10 DHCDHN CC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289703532 1026139435 /nfs/dbraw/zinc/13/94/35/1026139435.db2.gz IULPBRJCEWWJHJ-QAPCUYQASA-N 0 3 317.454 3.983 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1[O-] ZINC000289793629 1026176822 /nfs/dbraw/zinc/17/68/22/1026176822.db2.gz MESYFOQPXGRHAC-CQSZACIVSA-N 0 3 318.804 3.622 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1[O-] ZINC000808679871 1026346825 /nfs/dbraw/zinc/34/68/25/1026346825.db2.gz CNTHUDWMHOERKM-ZTFRIQLXSA-N 0 3 317.816 3.663 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccccc2CO)c1[O-] ZINC000808680162 1026348421 /nfs/dbraw/zinc/34/84/21/1026348421.db2.gz ITLVRVXFGBMTJO-GFCCVEGCSA-N 0 3 305.805 3.697 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1O ZINC000808692763 1026348927 /nfs/dbraw/zinc/34/89/27/1026348927.db2.gz ZOZOTISERWYJRN-LLVKDONJSA-N 0 3 321.804 3.919 20 10 DHCDHN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808693105 1026349285 /nfs/dbraw/zinc/34/92/85/1026349285.db2.gz WCABVSIUFFWORL-MNOVXSKESA-N 0 3 307.825 3.808 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c1[O-] ZINC000808692934 1026349410 /nfs/dbraw/zinc/34/94/10/1026349410.db2.gz XBUPNBJCXASGDS-BLLLJJGKSA-N 0 3 311.853 3.946 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N(C)C)CCCC2)c1[O-] ZINC000808672622 1026354040 /nfs/dbraw/zinc/35/40/40/1026354040.db2.gz CSXPZVJDWPNWLV-ZDUSSCGKSA-N 0 3 310.869 3.879 20 10 DHCDHN CC[C@@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])N1CCCC1 ZINC000808675741 1026354483 /nfs/dbraw/zinc/35/44/83/1026354483.db2.gz QTCFFMUTUVQCPQ-HIFRSBDPSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000808677016 1026356847 /nfs/dbraw/zinc/35/68/47/1026356847.db2.gz OJTQJXRNPUXSGM-VBNZEHGJSA-N 0 3 308.853 3.631 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c1[O-] ZINC000808707721 1026359732 /nfs/dbraw/zinc/35/97/32/1026359732.db2.gz WTFIMXZSOUCTLN-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c1O ZINC000808707721 1026359742 /nfs/dbraw/zinc/35/97/42/1026359742.db2.gz WTFIMXZSOUCTLN-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C)cc1[O-] ZINC000279972223 1026359908 /nfs/dbraw/zinc/35/99/08/1026359908.db2.gz DAWWECXGIWMCAO-QGZVFWFLSA-N 0 3 322.412 3.522 20 10 DHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H](O)c1ccccc1 ZINC000808719406 1026366194 /nfs/dbraw/zinc/36/61/94/1026366194.db2.gz FIROLZHLGPIFDD-NCPSFGDWSA-N 0 3 315.388 3.791 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1[O-] ZINC000808695964 1026373382 /nfs/dbraw/zinc/37/33/82/1026373382.db2.gz MIHSHKHVWYSEQF-XJKSGUPXSA-N 0 3 319.832 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000808695956 1026373456 /nfs/dbraw/zinc/37/34/56/1026373456.db2.gz MIHSHKHVWYSEQF-BBRMVZONSA-N 0 3 319.832 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)c1[O-] ZINC000808696642 1026373772 /nfs/dbraw/zinc/37/37/72/1026373772.db2.gz RDVKVBIDRFTVKL-MLGOLLRUSA-N 0 3 305.805 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c1[O-] ZINC000808701614 1026375013 /nfs/dbraw/zinc/37/50/13/1026375013.db2.gz CNTHUDWMHOERKM-YMRXKLBXSA-N 0 3 317.816 3.663 20 10 DHCDHN CC(C)(C)c1cc([O-])c(CN2CCC[C@](C)([NH3+])C2)cc1Cl ZINC001204946965 1026410435 /nfs/dbraw/zinc/41/04/35/1026410435.db2.gz VNDXLSAPECNWTK-KRWDZBQOSA-N 0 3 310.869 3.656 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(C)cc1[O-] ZINC000279973695 1026441874 /nfs/dbraw/zinc/44/18/74/1026441874.db2.gz DCZOOBJZOKSWDZ-GOSISDBHSA-N 0 3 322.412 3.522 20 10 DHCDHN COc1ccccc1C(C)(C)NCc1cc(C)cc(OC)c1O ZINC000894225881 1026500805 /nfs/dbraw/zinc/50/08/05/1026500805.db2.gz MIWPBGFWPMQNNZ-UHFFFAOYSA-N 0 3 315.413 3.743 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809737382 1026609706 /nfs/dbraw/zinc/60/97/06/1026609706.db2.gz GTZGHXIFSJVJFQ-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809737382 1026609711 /nfs/dbraw/zinc/60/97/11/1026609711.db2.gz GTZGHXIFSJVJFQ-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000280282318 1026626995 /nfs/dbraw/zinc/62/69/95/1026626995.db2.gz YQPUYIWKHBEMDM-NVXWUHKLSA-N 0 3 305.443 3.711 20 10 DHCDHN CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000810163440 1026697812 /nfs/dbraw/zinc/69/78/12/1026697812.db2.gz UEPIZPMFHLPTBS-INIZCTEOSA-N 0 3 312.457 3.878 20 10 DHCDHN CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000810245323 1026729978 /nfs/dbraw/zinc/72/99/78/1026729978.db2.gz YXUIZZPSDBOWNU-NFAWXSAZSA-N 0 3 308.441 3.790 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCCCF ZINC000812773836 1027399766 /nfs/dbraw/zinc/39/97/66/1027399766.db2.gz VGDASAKLHMSSKV-UHFFFAOYSA-N 0 3 303.377 3.811 20 10 DHCDHN Cc1ccc([C@H](C)NCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000295861464 1027464319 /nfs/dbraw/zinc/46/43/19/1027464319.db2.gz BNCKJDQASDVIPG-NSHDSACASA-N 0 3 310.319 3.965 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000813883847 1027750785 /nfs/dbraw/zinc/75/07/85/1027750785.db2.gz OWCQJANXOLSYAU-GXTWGEPZSA-N 0 3 318.367 3.600 20 10 DHCDHN CCOc1ccc(C[NH2+]Cc2ccnc(SCC)c2)c([O-])c1 ZINC000778209406 1027877273 /nfs/dbraw/zinc/87/72/73/1027877273.db2.gz PRTCOTBPKPHULY-UHFFFAOYSA-N 0 3 318.442 3.588 20 10 DHCDHN C[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764365 1027886546 /nfs/dbraw/zinc/88/65/46/1027886546.db2.gz MHQKGSOPCAICCB-AUUYWEPGSA-N 0 3 307.397 3.566 20 10 DHCDHN COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000779025938 1027920019 /nfs/dbraw/zinc/92/00/19/1027920019.db2.gz QPUQRJJOWMBTCV-CQSZACIVSA-N 0 3 317.404 3.851 20 10 DHCDHN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000779025938 1027920032 /nfs/dbraw/zinc/92/00/32/1027920032.db2.gz QPUQRJJOWMBTCV-CQSZACIVSA-N 0 3 317.404 3.851 20 10 DHCDHN Oc1ccc(F)cc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000779028827 1027925762 /nfs/dbraw/zinc/92/57/62/1027925762.db2.gz BOPODFDJZWZPJX-AWEZNQCLSA-N 0 3 321.779 3.838 20 10 DHCDHN Oc1ccc(-c2ccccc2)cc1CNCc1cccc(F)n1 ZINC000747926891 1027978382 /nfs/dbraw/zinc/97/83/82/1027978382.db2.gz ZNDOTOIRATULHJ-UHFFFAOYSA-N 0 3 308.356 3.883 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1[O-] ZINC000528007316 1028034534 /nfs/dbraw/zinc/03/45/34/1028034534.db2.gz ZCSSLJZMFDYFAQ-MSOLQXFVSA-N 0 3 324.424 3.568 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)c1ccc(C)cc1[O-] ZINC000366452985 1028082397 /nfs/dbraw/zinc/08/23/97/1028082397.db2.gz SESDQJHOQLTSHM-NVXWUHKLSA-N 0 3 313.445 3.824 20 10 DHCDHN COc1cc(CN(Cc2cccs2)C2CC2)c(O)cc1C ZINC000159753494 1028211109 /nfs/dbraw/zinc/21/11/09/1028211109.db2.gz DMRCHHVWVVPSCL-UHFFFAOYSA-N 0 3 303.427 3.935 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1[O-] ZINC000776208302 1028221921 /nfs/dbraw/zinc/22/19/21/1028221921.db2.gz XECRRJVSZZOWTH-KRWDZBQOSA-N 0 3 311.853 3.775 20 10 DHCDHN Cc1cc(CN[C@H](c2cnn(C)c2)C(C)(C)C)ccc1N(C)C ZINC000815084716 1028356387 /nfs/dbraw/zinc/35/63/87/1028356387.db2.gz AJPDYPJNPVDMKD-GOSISDBHSA-N 0 3 314.477 3.672 20 10 DHCDHN C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000368814901 1028410681 /nfs/dbraw/zinc/41/06/81/1028410681.db2.gz XHRXWACQEJDRKQ-OHNRDTAOSA-N 0 3 315.388 3.960 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CCOCC1 ZINC000815562034 1028544912 /nfs/dbraw/zinc/54/49/12/1028544912.db2.gz VUYFCVRAJHXALE-LJQANCHMSA-N 0 3 311.425 3.835 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)c1[O-] ZINC000370020189 1028555493 /nfs/dbraw/zinc/55/54/93/1028555493.db2.gz MVOUMFZHMZLIHN-GUYCJALGSA-N 0 3 317.816 3.665 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000815616901 1028571970 /nfs/dbraw/zinc/57/19/70/1028571970.db2.gz AWDYSUXBRUZBAM-ZOCIIQOWSA-N 0 3 303.446 3.865 20 10 DHCDHN CC[C@@]1(C)C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000190343897 1028903175 /nfs/dbraw/zinc/90/31/75/1028903175.db2.gz QFURPWHYBWGSLA-IBGZPJMESA-N 0 3 315.413 3.555 20 10 DHCDHN CC[C@@]1(C)C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000190343897 1028903194 /nfs/dbraw/zinc/90/31/94/1028903194.db2.gz QFURPWHYBWGSLA-IBGZPJMESA-N 0 3 315.413 3.555 20 10 DHCDHN C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000372927008 1028923250 /nfs/dbraw/zinc/92/32/50/1028923250.db2.gz KHZKTXAZLZXQEW-KGLIPLIRSA-N 0 3 323.396 3.724 20 10 DHCDHN C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548367 1028929172 /nfs/dbraw/zinc/92/91/72/1028929172.db2.gz FMFNZQYMAMSZLJ-HOTGVXAUSA-N 0 3 312.457 3.898 20 10 DHCDHN COCC[N@H+](Cc1cccnc1)Cc1ccc2ccccc2c1[O-] ZINC000816610805 1028960869 /nfs/dbraw/zinc/96/08/69/1028960869.db2.gz ZGDUJTATHNBUEA-UHFFFAOYSA-N 0 3 322.408 3.589 20 10 DHCDHN COCC[N@@H+](Cc1cccnc1)Cc1ccc2ccccc2c1[O-] ZINC000816610805 1028960882 /nfs/dbraw/zinc/96/08/82/1028960882.db2.gz ZGDUJTATHNBUEA-UHFFFAOYSA-N 0 3 322.408 3.589 20 10 DHCDHN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000373522977 1029069933 /nfs/dbraw/zinc/06/99/33/1029069933.db2.gz OGQJXFGRMMDNQK-QXAKKESOSA-N 0 3 303.446 3.947 20 10 DHCDHN CCOCc1cc(CNCc2cc(C)nc(C)c2)ccc1OC ZINC000817411412 1029153044 /nfs/dbraw/zinc/15/30/44/1029153044.db2.gz RHEFVQPOVWMDPK-UHFFFAOYSA-N 0 3 314.429 3.533 20 10 DHCDHN C[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966225 1029308538 /nfs/dbraw/zinc/30/85/38/1029308538.db2.gz JGJZJNIDUNKZFU-BONVTDFDSA-N 0 3 317.260 3.739 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817975052 1029314891 /nfs/dbraw/zinc/31/48/91/1029314891.db2.gz IDZYZIYABDIUOB-MLGOLLRUSA-N 0 3 312.413 3.927 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Cl)c(Cl)cc1[O-] ZINC000818616141 1029420903 /nfs/dbraw/zinc/42/09/03/1029420903.db2.gz UBAPSOGQJZOHFS-ZEGGKSINSA-N 0 3 303.233 3.620 20 10 DHCDHN COc1cc(Cl)c(CNCc2cc(C)ccc2O)cc1OC ZINC000865640517 1029956200 /nfs/dbraw/zinc/95/62/00/1029956200.db2.gz KUDZZKQFORAMLF-UHFFFAOYSA-N 0 3 321.804 3.661 20 10 DHCDHN COC[C@@H](NCc1cccc(C)c1O)c1cccc(Cl)c1 ZINC000290281891 1029980111 /nfs/dbraw/zinc/98/01/11/1029980111.db2.gz ZDTRTJHNOKANBF-MRXNPFEDSA-N 0 3 305.805 3.831 20 10 DHCDHN CCOc1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c([O-])c1 ZINC000865726757 1029992255 /nfs/dbraw/zinc/99/22/55/1029992255.db2.gz SJNDRMIIWVELTC-GOSISDBHSA-N 0 3 319.445 3.620 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1([C@H]3CCCCO3)CCC1)CC2 ZINC000866480497 1030318937 /nfs/dbraw/zinc/31/89/37/1030318937.db2.gz FBOPZMSSDRFJLU-DOTOQJQBSA-N 0 3 301.430 3.709 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000823729398 1030383841 /nfs/dbraw/zinc/38/38/41/1030383841.db2.gz FQUBPJBUMVSGDZ-HNNXBMFYSA-N 0 3 316.470 3.744 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824695765 1030613071 /nfs/dbraw/zinc/61/30/71/1030613071.db2.gz CJRNXQCDICPTJG-ZACQAIPSSA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824695765 1030613077 /nfs/dbraw/zinc/61/30/77/1030613077.db2.gz CJRNXQCDICPTJG-ZACQAIPSSA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc([O-])c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000824894552 1030660600 /nfs/dbraw/zinc/66/06/00/1030660600.db2.gz HOHHWAFXYSRFRZ-HNNXBMFYSA-N 0 3 322.880 3.518 20 10 DHCDHN Cc1cc([O-])c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1Cl ZINC000824894552 1030660607 /nfs/dbraw/zinc/66/06/07/1030660607.db2.gz HOHHWAFXYSRFRZ-HNNXBMFYSA-N 0 3 322.880 3.518 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122782151 1030867080 /nfs/dbraw/zinc/86/70/80/1030867080.db2.gz RUNVJRPKYSYUNO-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000926949753 1031012155 /nfs/dbraw/zinc/01/21/55/1031012155.db2.gz NSRCGPNFKCGLEK-LOKLDPHHSA-N 0 3 303.299 3.868 20 10 DHCDHN CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000926960343 1031018509 /nfs/dbraw/zinc/01/85/09/1031018509.db2.gz FMCMECFMADWRJM-DZGCQCFKSA-N 0 3 318.383 3.624 20 10 DHCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](CC)c3ccccc3[O-])C2)n1 ZINC000927053188 1031051012 /nfs/dbraw/zinc/05/10/12/1031051012.db2.gz OPDKBOZNYLGLCW-VNHYZAJKSA-N 0 3 315.417 3.715 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1OCCc3ccccc31)CC2 ZINC000927113235 1031097988 /nfs/dbraw/zinc/09/79/88/1031097988.db2.gz XUUKSHQOTBCGCZ-IEBWSBKVSA-N 0 3 309.409 3.673 20 10 DHCDHN C[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000927115164 1031100614 /nfs/dbraw/zinc/10/06/14/1031100614.db2.gz JEBLBGNYGXPXCQ-YJYMSZOUSA-N 0 3 315.388 3.886 20 10 DHCDHN CCc1onc(C)c1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000927137660 1031112672 /nfs/dbraw/zinc/11/26/72/1031112672.db2.gz AGOWSQAXMXQABZ-ZANVPECISA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1onc(C)c1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000927137660 1031112676 /nfs/dbraw/zinc/11/26/76/1031112676.db2.gz AGOWSQAXMXQABZ-ZANVPECISA-N 0 3 304.365 3.728 20 10 DHCDHN Cc1c(O)cccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001144119128 1031258164 /nfs/dbraw/zinc/25/81/64/1031258164.db2.gz VFCXUOIEZIXJSK-UHFFFAOYSA-N 0 3 310.441 3.933 20 10 DHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H](C)CO1 ZINC000844732730 1031320962 /nfs/dbraw/zinc/32/09/62/1031320962.db2.gz RILFYYCZEFEQPC-UKRRQHHQSA-N 0 3 315.413 3.553 20 10 DHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H](C)CO1 ZINC000844732730 1031320977 /nfs/dbraw/zinc/32/09/77/1031320977.db2.gz RILFYYCZEFEQPC-UKRRQHHQSA-N 0 3 315.413 3.553 20 10 DHCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144251354 1031393106 /nfs/dbraw/zinc/39/31/06/1031393106.db2.gz FHWJEIXYVFYLPK-UHFFFAOYSA-N 0 3 304.393 3.741 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144251354 1031393121 /nfs/dbraw/zinc/39/31/21/1031393121.db2.gz FHWJEIXYVFYLPK-UHFFFAOYSA-N 0 3 304.393 3.741 20 10 DHCDHN CCc1noc(C)c1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000293658037 1031556738 /nfs/dbraw/zinc/55/67/38/1031556738.db2.gz IIVOXWGEGXHEME-GFCCVEGCSA-N 0 3 314.429 3.981 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1[C@@H]2CC[C@H]1CC(CCO)C2 ZINC000872757742 1031654799 /nfs/dbraw/zinc/65/47/99/1031654799.db2.gz KADLNRWPQJMEOC-ZXFUBFMLSA-N 0 3 311.425 3.671 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1[C@@H]2CC[C@H]1CC(CCO)C2 ZINC000872757742 1031654805 /nfs/dbraw/zinc/65/48/05/1031654805.db2.gz KADLNRWPQJMEOC-ZXFUBFMLSA-N 0 3 311.425 3.671 20 10 DHCDHN CCCOc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1C ZINC000873043419 1031698990 /nfs/dbraw/zinc/69/89/90/1031698990.db2.gz NXQIUOMTZWCGLJ-AWEZNQCLSA-N 0 3 301.434 3.677 20 10 DHCDHN CC[C@@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000897719807 1031803193 /nfs/dbraw/zinc/80/31/93/1031803193.db2.gz WCFBLBCFDZPQMT-MRXNPFEDSA-N 0 3 319.445 3.756 20 10 DHCDHN COc1cc(Cl)cc(CN2CCC3(CC3(F)F)CC2)c1O ZINC000846054243 1031847089 /nfs/dbraw/zinc/84/70/89/1031847089.db2.gz ITAJUEJUDBOAOO-UHFFFAOYSA-N 0 3 317.763 3.675 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111821 1031860308 /nfs/dbraw/zinc/86/03/08/1031860308.db2.gz NWZCHDQTMPSNKE-IYBDPMFKSA-N 0 3 301.336 3.756 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111821 1031860326 /nfs/dbraw/zinc/86/03/26/1031860326.db2.gz NWZCHDQTMPSNKE-IYBDPMFKSA-N 0 3 301.336 3.756 20 10 DHCDHN CN(C)c1ccc(/C=C/CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846105389 1031879906 /nfs/dbraw/zinc/87/99/06/1031879906.db2.gz TVHIVPBSWWRJFR-RCFWFJCLSA-N 0 3 306.400 3.887 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H]2CCOc3ccc(F)cc32)c1O ZINC000846150274 1031886600 /nfs/dbraw/zinc/88/66/00/1031886600.db2.gz CSEPXAABAVJREE-ABAIWWIYSA-N 0 3 317.360 3.714 20 10 DHCDHN COc1cccc([C@H](C)N[C@H](C)c2cc(F)ccc2OC)c1O ZINC000846140636 1031901325 /nfs/dbraw/zinc/90/13/25/1031901325.db2.gz BURPAXJMQPSXPQ-NWDGAFQWSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1cccc([C@H](C)N[C@H]2CSc3ccccc32)c1O ZINC000846142751 1031903986 /nfs/dbraw/zinc/90/39/86/1031903986.db2.gz CHGHAKXRQMXECN-FZMZJTMJSA-N 0 3 301.411 3.898 20 10 DHCDHN Cc1cccc(O)c1CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000877634464 1033390361 /nfs/dbraw/zinc/39/03/61/1033390361.db2.gz QAOANWIYNGOADC-GOSISDBHSA-N 0 3 313.397 3.647 20 10 DHCDHN Cc1ccc(C[NH+]2CCC(Cc3nccs3)CC2)c([O-])c1 ZINC000877674534 1033407882 /nfs/dbraw/zinc/40/78/82/1033407882.db2.gz RKCHDLPRNMOASR-UHFFFAOYSA-N 0 3 302.443 3.612 20 10 DHCDHN COc1cc(Cl)cc(CN[C@H](C)c2cnc(C)s2)c1O ZINC000877685334 1033412838 /nfs/dbraw/zinc/41/28/38/1033412838.db2.gz VEKCLSZFCGEHFO-MRVPVSSYSA-N 0 3 312.822 3.670 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnc(C)s2)c1[O-] ZINC000877685334 1033412848 /nfs/dbraw/zinc/41/28/48/1033412848.db2.gz VEKCLSZFCGEHFO-MRVPVSSYSA-N 0 3 312.822 3.670 20 10 DHCDHN C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172855593 1033424540 /nfs/dbraw/zinc/42/45/40/1033424540.db2.gz DTSOIRWWMSNIPZ-JTQLQIEISA-N 0 3 309.768 3.611 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1N(C)C)c1ccccc1[O-] ZINC000877755568 1033431184 /nfs/dbraw/zinc/43/11/84/1033431184.db2.gz FRENRLUGPYLYCX-LLVKDONJSA-N 0 3 306.356 3.587 20 10 DHCDHN CCOCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877757169 1033434582 /nfs/dbraw/zinc/43/45/82/1033434582.db2.gz KTTFVQADFFCUOS-AWEZNQCLSA-N 0 3 301.386 3.616 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC000879649657 1034071772 /nfs/dbraw/zinc/07/17/72/1034071772.db2.gz RTQKCVVDSJJASA-OLZOCXBDSA-N 0 3 316.376 3.518 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(C)cc1 ZINC000879650223 1034075729 /nfs/dbraw/zinc/07/57/29/1034075729.db2.gz QJHDIRWPYGSJEC-PBHICJAKSA-N 0 3 312.413 3.769 20 10 DHCDHN C[C@@H](c1ccccc1)[N@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC000176682833 1034103334 /nfs/dbraw/zinc/10/33/34/1034103334.db2.gz TXUJALHWVQABOV-KRWDZBQOSA-N 0 3 321.424 3.852 20 10 DHCDHN C[C@@H](c1ccccc1)[N@@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC000176682833 1034103339 /nfs/dbraw/zinc/10/33/39/1034103339.db2.gz TXUJALHWVQABOV-KRWDZBQOSA-N 0 3 321.424 3.852 20 10 DHCDHN Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183382277 1034381278 /nfs/dbraw/zinc/38/12/78/1034381278.db2.gz JBYCQURRSSXYBN-CQSZACIVSA-N 0 3 309.413 3.791 20 10 DHCDHN CCCCOc1ncccc1CN[C@@H](C)c1ccccc1O ZINC000183448701 1034387346 /nfs/dbraw/zinc/38/73/46/1034387346.db2.gz PWNUROAUNBZBFZ-AWEZNQCLSA-N 0 3 300.402 3.817 20 10 DHCDHN CCOc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000183513224 1034393246 /nfs/dbraw/zinc/39/32/46/1034393246.db2.gz NXPQUYMAZKUNKS-CYBMUJFWSA-N 0 3 301.386 3.650 20 10 DHCDHN COc1cc(F)c([C@H](C)N[C@H](C)c2ccccc2O)cc1OC ZINC000183512924 1034393809 /nfs/dbraw/zinc/39/38/09/1034393809.db2.gz ZJBNOQFXDPKUKP-NEPJUHHUSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183512924 1034393814 /nfs/dbraw/zinc/39/38/14/1034393814.db2.gz ZJBNOQFXDPKUKP-NEPJUHHUSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183501864 1034394980 /nfs/dbraw/zinc/39/49/80/1034394980.db2.gz NFKYPOBIUYLBIK-KGLIPLIRSA-N 0 3 315.413 3.691 20 10 DHCDHN CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183518134 1034395633 /nfs/dbraw/zinc/39/56/33/1034395633.db2.gz SOFOLKSRIJLRLL-KUHUBIRLSA-N 0 3 315.413 3.564 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794801104 1034473148 /nfs/dbraw/zinc/47/31/48/1034473148.db2.gz HCVDLHFLEAMGPV-QGZVFWFLSA-N 0 3 303.377 3.959 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)c1ccc(C)cc1[O-] ZINC000794809712 1034509089 /nfs/dbraw/zinc/50/90/89/1034509089.db2.gz IROIVKPDQKXPAB-QRTARXTBSA-N 0 3 303.402 3.847 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1[O-] ZINC000794813441 1034519614 /nfs/dbraw/zinc/51/96/14/1034519614.db2.gz DSFREBNJLXUIQD-OALUTQOASA-N 0 3 310.441 3.928 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000184984344 1034519731 /nfs/dbraw/zinc/51/97/31/1034519731.db2.gz PUJSEVILVFAFJC-HNNXBMFYSA-N 0 3 311.429 3.547 20 10 DHCDHN CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000794815846 1034526782 /nfs/dbraw/zinc/52/67/82/1034526782.db2.gz PTMFGOAUFUWNCX-GXTWGEPZSA-N 0 3 305.340 3.709 20 10 DHCDHN C[C@@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185840663 1034580262 /nfs/dbraw/zinc/58/02/62/1034580262.db2.gz KEXDXIKBPLYUFZ-ZIBATOQPSA-N 0 3 309.406 3.756 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([O-])c1 ZINC000186355068 1034624649 /nfs/dbraw/zinc/62/46/49/1034624649.db2.gz JORVAEMCUIDHKX-SIUPPRGNSA-N 0 3 301.430 3.699 20 10 DHCDHN CN1CCC=C(Nc2ccc(CCc3ccc(N)cc3)cc2)C1 ZINC001175580003 1035048915 /nfs/dbraw/zinc/04/89/15/1035048915.db2.gz TWZYMVKHTOOPAY-UHFFFAOYSA-N 0 3 307.441 3.685 20 10 DHCDHN CCN(C)c1ccc(CN2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000773766728 1035443223 /nfs/dbraw/zinc/44/32/23/1035443223.db2.gz UXHKTCCFZNNQKD-LJQANCHMSA-N 0 3 312.461 3.522 20 10 DHCDHN Cc1c2ccccc2n(C)c1CN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001179521290 1035480751 /nfs/dbraw/zinc/48/07/51/1035480751.db2.gz YGLUWLPCKNKNMP-UEDWGHLCSA-N 0 3 320.436 3.627 20 10 DHCDHN CC[C@H](NCc1ccc(N(C)CC)cc1)c1c(C)nn(C)c1C ZINC000773833434 1035511630 /nfs/dbraw/zinc/51/16/30/1035511630.db2.gz DDMJNTTWBRQDDA-SFHVURJKSA-N 0 3 314.477 3.734 20 10 DHCDHN CCOc1ccc(CNCc2ccc(OC)c(C)c2)cc1OC ZINC000078913753 1035604960 /nfs/dbraw/zinc/60/49/60/1035604960.db2.gz NZMPYKVTBIJRJH-UHFFFAOYSA-N 0 3 315.413 3.701 20 10 DHCDHN Cn1nccc1[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000905742424 1035639524 /nfs/dbraw/zinc/63/95/24/1035639524.db2.gz QIQQWOIEVUDUQY-GOSISDBHSA-N 0 3 307.397 3.616 20 10 DHCDHN Cn1nccc1[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000905742424 1035639531 /nfs/dbraw/zinc/63/95/31/1035639531.db2.gz QIQQWOIEVUDUQY-GOSISDBHSA-N 0 3 307.397 3.616 20 10 DHCDHN COc1cc(C)c(CN(C)Cc2ccc(F)c(F)c2)c(O)c1 ZINC001180392202 1035661039 /nfs/dbraw/zinc/66/10/39/1035661039.db2.gz BKWCOPJYCHOHCX-UHFFFAOYSA-N 0 3 307.340 3.619 20 10 DHCDHN Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(O)c1 ZINC001204270335 1035687857 /nfs/dbraw/zinc/68/78/57/1035687857.db2.gz LPRLFPJWWBAIKM-UHFFFAOYSA-N 0 3 312.369 3.773 20 10 DHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001204275512 1035729550 /nfs/dbraw/zinc/72/95/50/1035729550.db2.gz UNKWEBVWHRLQIS-UHFFFAOYSA-N 0 3 311.425 3.943 20 10 DHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001204279150 1035754517 /nfs/dbraw/zinc/75/45/17/1035754517.db2.gz RPUIKYQFPRYLBK-UHFFFAOYSA-N 0 3 315.388 3.692 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000226583556 1035974566 /nfs/dbraw/zinc/97/45/66/1035974566.db2.gz OCTWMJUCMKJMSG-CQSZACIVSA-N 0 3 307.365 3.997 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1[O-] ZINC001181809361 1035998177 /nfs/dbraw/zinc/99/81/77/1035998177.db2.gz YYZWQJKIFJCRMB-FZMZJTMJSA-N 0 3 312.251 3.845 20 10 DHCDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCC2 ZINC000774160084 1036207711 /nfs/dbraw/zinc/20/77/11/1036207711.db2.gz CJSASBIKFCVZMY-GOSISDBHSA-N 0 3 324.380 3.697 20 10 DHCDHN CN(C)c1ccc(CN(Cc2cccc3nccn32)C2CC2)cc1 ZINC000775649881 1036232017 /nfs/dbraw/zinc/23/20/17/1036232017.db2.gz UPQZCSKLGLRPAT-UHFFFAOYSA-N 0 3 320.440 3.565 20 10 DHCDHN CCc1cccc(CN(CC2CC2)[C@](C)(CC)C(=O)OC)c1O ZINC001182481000 1036367618 /nfs/dbraw/zinc/36/76/18/1036367618.db2.gz YDLNMTZKYHRHSI-LJQANCHMSA-N 0 3 319.445 3.508 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000775698695 1036474155 /nfs/dbraw/zinc/47/41/55/1036474155.db2.gz QWCWZWKJMQPVJB-KRWDZBQOSA-N 0 3 319.832 3.910 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000775698695 1036474163 /nfs/dbraw/zinc/47/41/63/1036474163.db2.gz QWCWZWKJMQPVJB-KRWDZBQOSA-N 0 3 319.832 3.910 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000775738355 1036596592 /nfs/dbraw/zinc/59/65/92/1036596592.db2.gz BDRDKCLYSLYCJU-KGLIPLIRSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000775738355 1036596596 /nfs/dbraw/zinc/59/65/96/1036596596.db2.gz BDRDKCLYSLYCJU-KGLIPLIRSA-N 0 3 309.837 3.603 20 10 DHCDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000774832205 1037045200 /nfs/dbraw/zinc/04/52/00/1037045200.db2.gz LASAEJNJAWVJLE-XLIONFOSSA-N 0 3 311.425 3.964 20 10 DHCDHN COc1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000775943469 1037220192 /nfs/dbraw/zinc/22/01/92/1037220192.db2.gz YOJKNDFAHHPLPK-UHFFFAOYSA-N 0 3 313.445 3.567 20 10 DHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000776001799 1037295734 /nfs/dbraw/zinc/29/57/34/1037295734.db2.gz BOJIDLZYHNUEFP-IAGOWNOFSA-N 0 3 311.425 3.992 20 10 DHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000776001799 1037295749 /nfs/dbraw/zinc/29/57/49/1037295749.db2.gz BOJIDLZYHNUEFP-IAGOWNOFSA-N 0 3 311.425 3.992 20 10 DHCDHN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N(C)C)cc1 ZINC000776013175 1037297657 /nfs/dbraw/zinc/29/76/57/1037297657.db2.gz LAINGGNPSGNZGW-IUODEOHRSA-N 0 3 300.368 3.915 20 10 DHCDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000776005987 1037301154 /nfs/dbraw/zinc/30/11/54/1037301154.db2.gz FRULDVLEYJOUQS-OKILXGFUSA-N 0 3 310.869 3.503 20 10 DHCDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000776005987 1037301178 /nfs/dbraw/zinc/30/11/78/1037301178.db2.gz FRULDVLEYJOUQS-OKILXGFUSA-N 0 3 310.869 3.503 20 10 DHCDHN C[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775131954 1037676037 /nfs/dbraw/zinc/67/60/37/1037676037.db2.gz ZYQLYHWIAMANGX-LLVKDONJSA-N 0 3 301.777 3.544 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000776219878 1037928271 /nfs/dbraw/zinc/92/82/71/1037928271.db2.gz JITGRSFTXWCOSA-UHFFFAOYSA-N 0 3 313.825 3.566 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000776230150 1037971264 /nfs/dbraw/zinc/97/12/64/1037971264.db2.gz HALQVUIEZKHMDP-DIFFPNOSSA-N 0 3 323.795 3.705 20 10 DHCDHN COc1cc(C)cc(CN(C)Cc2ccc(F)c(F)c2)c1O ZINC000163911264 1038024971 /nfs/dbraw/zinc/02/49/71/1038024971.db2.gz ZQFRXKYBDKYAKV-UHFFFAOYSA-N 0 3 307.340 3.619 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c1[O-] ZINC000776253671 1038072772 /nfs/dbraw/zinc/07/27/72/1038072772.db2.gz NRNPJNAHZTZIET-KRWDZBQOSA-N 0 3 316.832 3.630 20 10 DHCDHN CC[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1[O-] ZINC000156571339 1038140128 /nfs/dbraw/zinc/14/01/28/1038140128.db2.gz FSDLDKOTKAJXKD-QGZVFWFLSA-N 0 3 318.461 3.520 20 10 DHCDHN C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775365149 1038275327 /nfs/dbraw/zinc/27/53/27/1038275327.db2.gz UUMCYHTWWQZTNB-OAHLLOKOSA-N 0 3 320.440 3.994 20 10 DHCDHN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000775365149 1038275331 /nfs/dbraw/zinc/27/53/31/1038275331.db2.gz UUMCYHTWWQZTNB-OAHLLOKOSA-N 0 3 320.440 3.994 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cc(C)ccc2OC)c1 ZINC000775375154 1038304146 /nfs/dbraw/zinc/30/41/46/1038304146.db2.gz JBBMIEZLFFSEQC-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1[O-] ZINC000775525911 1038652998 /nfs/dbraw/zinc/65/29/98/1038652998.db2.gz OTMHKLFKBBPQGP-XNISGKROSA-N 0 3 309.500 3.813 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+](C)CCOc2ccccc2)c1[O-] ZINC000761183842 1040476618 /nfs/dbraw/zinc/47/66/18/1040476618.db2.gz BPRDJAXHQGGPGV-UHFFFAOYSA-N 0 3 321.804 3.565 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCOc2ccccc2)c1[O-] ZINC000761183842 1040476628 /nfs/dbraw/zinc/47/66/28/1040476628.db2.gz BPRDJAXHQGGPGV-UHFFFAOYSA-N 0 3 321.804 3.565 20 10 DHCDHN COc1ccccc1C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000761226938 1040820936 /nfs/dbraw/zinc/82/09/36/1040820936.db2.gz SQLGMVWEFGUDIU-UHFFFAOYSA-N 0 3 315.388 3.751 20 10 DHCDHN COc1cccc(CN(C)[C@H]2CCCc3nc(C)sc32)c1O ZINC000093365101 193239553 /nfs/dbraw/zinc/23/95/53/193239553.db2.gz CUCQKHFATGSUFT-AWEZNQCLSA-N 0 3 318.442 3.675 20 10 DHCDHN CCOc1cccc(CN[C@H](CCOC)c2ccc(C)o2)c1O ZINC000272217090 130008920 /nfs/dbraw/zinc/00/89/20/130008920.db2.gz DEKHVNBRARDYBC-OAHLLOKOSA-N 0 3 319.401 3.560 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c([O-])c1C ZINC000273297219 130103672 /nfs/dbraw/zinc/10/36/72/130103672.db2.gz AIKJDBBRBVOQRO-SUMWQHHRSA-N 0 3 303.377 3.532 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(F)ccc1[O-] ZINC000273405870 130117342 /nfs/dbraw/zinc/11/73/42/130117342.db2.gz OIZICCNWZKPEHP-XHDPSFHLSA-N 0 3 308.422 3.546 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273423064 130119543 /nfs/dbraw/zinc/11/95/43/130119543.db2.gz SNFDHOYVPKKCIM-DYVFJYSZSA-N 0 3 303.377 3.532 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000273452855 130123944 /nfs/dbraw/zinc/12/39/44/130123944.db2.gz GKHYSHRBVMPBCK-OFQRWUPVSA-N 0 3 307.434 3.645 20 10 DHCDHN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cc2c(cc1O)CCCC2 ZINC000273527081 130132084 /nfs/dbraw/zinc/13/20/84/130132084.db2.gz VNHPKJGONPXUMW-PXAZEXFGSA-N 0 3 311.429 3.722 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273532210 130133343 /nfs/dbraw/zinc/13/33/43/130133343.db2.gz WRQGGUPRQUMEHZ-QLFBSQMISA-N 0 3 303.446 3.737 20 10 DHCDHN Cc1ccc2nc(CN[C@@H](C)c3ccc(C)c(C)c3O)cn2c1 ZINC000273590422 130142203 /nfs/dbraw/zinc/14/22/03/130142203.db2.gz OZNIWALYOWYGNB-HNNXBMFYSA-N 0 3 309.413 3.816 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c([O-])c1C ZINC000273598736 130142522 /nfs/dbraw/zinc/14/25/22/130142522.db2.gz RNGOZXZTBHWQFM-OAHLLOKOSA-N 0 3 312.413 3.688 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273608743 130142871 /nfs/dbraw/zinc/14/28/71/130142871.db2.gz VCTKPEGUWMVMMS-KGLIPLIRSA-N 0 3 324.424 3.631 20 10 DHCDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(C)ccc1O)CCO2 ZINC000274387720 130231280 /nfs/dbraw/zinc/23/12/80/130231280.db2.gz NVYKXVPDJGBYSE-GUYCJALGSA-N 0 3 313.397 3.884 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccccc1[O-] ZINC000274958733 130276703 /nfs/dbraw/zinc/27/67/03/130276703.db2.gz WJVQVWZVLUEMPF-IWEFOYFVSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c([O-])c1 ZINC000284069383 131046167 /nfs/dbraw/zinc/04/61/67/131046167.db2.gz LEVCVHYVOZVHME-SUMWQHHRSA-N 0 3 305.443 3.629 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000285237131 131150502 /nfs/dbraw/zinc/15/05/02/131150502.db2.gz PMDHHEBQAPJTHT-DAYGRLMNSA-N 0 3 321.486 3.714 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c([O-])c1 ZINC000285407181 131165089 /nfs/dbraw/zinc/16/50/89/131165089.db2.gz XMNIHOPMZZZXGR-LLVKDONJSA-N 0 3 323.330 3.577 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000293748314 131764749 /nfs/dbraw/zinc/76/47/49/131764749.db2.gz NZHZUOFTHMQDTN-MJGOQNOKSA-N 0 3 311.425 3.692 20 10 DHCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000297229023 132005137 /nfs/dbraw/zinc/00/51/37/132005137.db2.gz HSTRIKOUSBVDPZ-NEPJUHHUSA-N 0 3 305.340 3.709 20 10 DHCDHN COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000119637841 132134732 /nfs/dbraw/zinc/13/47/32/132134732.db2.gz ZPZAFFGSRQISAR-STQMWFEESA-N 0 3 301.386 3.821 20 10 DHCDHN Cc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1[O-] ZINC000294090021 335120312 /nfs/dbraw/zinc/12/03/12/335120312.db2.gz ZMMMILUZLNYRRJ-IBGZPJMESA-N 0 3 311.425 3.694 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000185405103 333208363 /nfs/dbraw/zinc/20/83/63/333208363.db2.gz SGAVBXPXZOUWII-UONOGXRCSA-N 0 3 313.397 3.618 20 10 DHCDHN COc1cccc(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)c1[O-] ZINC000296042275 335140786 /nfs/dbraw/zinc/14/07/86/335140786.db2.gz OCCYZBOOTIJGOY-LLVKDONJSA-N 0 3 307.340 3.572 20 10 DHCDHN COc1cc([O-])c(C[NH2+]CC[C@H](C)c2ccccc2)cc1OC ZINC000271913615 334028765 /nfs/dbraw/zinc/02/87/65/334028765.db2.gz YNCNGCBZBCTIDR-AWEZNQCLSA-N 0 3 315.413 3.693 20 10 DHCDHN C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(F)ccc1[O-] ZINC000289802815 334167906 /nfs/dbraw/zinc/16/79/06/334167906.db2.gz OBICEHQREPUDFK-DIFFPNOSSA-N 0 3 321.417 3.732 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000367056900 335607496 /nfs/dbraw/zinc/60/74/96/335607496.db2.gz CVTODJYPRWSQQX-WMLDXEAASA-N 0 3 312.413 3.612 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000192915844 336284300 /nfs/dbraw/zinc/28/43/00/336284300.db2.gz XIRCCXZTWIGWEO-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@@]2(C)c2cccs2)c1 ZINC000362035639 336782747 /nfs/dbraw/zinc/78/27/47/336782747.db2.gz DHYWPXXCMTWYSY-SUMWQHHRSA-N 0 3 303.427 3.530 20 10 DHCDHN CCOC(=O)C1(C)CC[NH+]([C@H](CC)c2ccccc2[O-])CC1 ZINC000368808912 336853089 /nfs/dbraw/zinc/85/30/89/336853089.db2.gz DDXGPMFIYQLYSJ-OAHLLOKOSA-N 0 3 305.418 3.509 20 10 DHCDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1cc(C)ccc1O ZINC000371869748 336915226 /nfs/dbraw/zinc/91/52/26/336915226.db2.gz KEOUWNQXRLDQCK-GUYCJALGSA-N 0 3 313.397 3.884 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nccn3C)c2)c([O-])c1 ZINC000373253502 336954532 /nfs/dbraw/zinc/95/45/32/336954532.db2.gz ANRRJVUWVPUHED-OAHLLOKOSA-N 0 3 321.424 3.952 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccccc1[O-] ZINC000373461062 336961192 /nfs/dbraw/zinc/96/11/92/336961192.db2.gz UFJOVAUYZZABLF-JKSUJKDBSA-N 0 3 313.397 3.965 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305750356 337035544 /nfs/dbraw/zinc/03/55/44/337035544.db2.gz ZHUKPQQIOQOBHJ-SJLPKXTDSA-N 0 3 315.413 3.854 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305750356 337035545 /nfs/dbraw/zinc/03/55/45/337035545.db2.gz ZHUKPQQIOQOBHJ-SJLPKXTDSA-N 0 3 315.413 3.854 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(c2ccnn2CC)CC1 ZINC000377618269 337056332 /nfs/dbraw/zinc/05/63/32/337056332.db2.gz CAIXNOHKWBJTMS-KRWDZBQOSA-N 0 3 313.445 3.939 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377624131 337056668 /nfs/dbraw/zinc/05/66/68/337056668.db2.gz GFPAGTLFAJWMSD-SFHVURJKSA-N 0 3 311.429 3.815 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000377696814 337058934 /nfs/dbraw/zinc/05/89/34/337058934.db2.gz NPQSZUCXRLMYQA-AYBZRNKSSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000377696814 337058935 /nfs/dbraw/zinc/05/89/35/337058935.db2.gz NPQSZUCXRLMYQA-AYBZRNKSSA-N 0 3 319.445 3.503 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000179553146 337170072 /nfs/dbraw/zinc/17/00/72/337170072.db2.gz BWIYZWBRFOETDP-UHFFFAOYSA-N 0 3 308.381 3.913 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c([O-])c1 ZINC000359972215 337441127 /nfs/dbraw/zinc/44/11/27/337441127.db2.gz FHNZOSCKNAUXMR-HNNXBMFYSA-N 0 3 321.424 3.952 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C2CC2)cn1 ZINC000528043821 337785643 /nfs/dbraw/zinc/78/56/43/337785643.db2.gz QIFWZUYQKVJXGM-ORAYPTAESA-N 0 3 312.413 3.906 20 10 DHCDHN CCCOc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c([O-])c1 ZINC000188268992 520348616 /nfs/dbraw/zinc/34/86/16/520348616.db2.gz MNCMWGOTXOOCBF-IBGZPJMESA-N 0 3 319.445 3.572 20 10 DHCDHN CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000267836260 520733066 /nfs/dbraw/zinc/73/30/66/520733066.db2.gz YNAUWXBMAQLTJV-UHFFFAOYSA-N 0 3 311.425 3.966 20 10 DHCDHN CCOc1ccc(O)c(CNCc2ccnc(SCC)c2)c1 ZINC000189594042 521152477 /nfs/dbraw/zinc/15/24/77/521152477.db2.gz NVQHQMLFMANXHY-UHFFFAOYSA-N 0 3 318.442 3.588 20 10 DHCDHN CCN(Cc1cccc(OC)c1O)[C@H]1CCCc2cccnc21 ZINC000364998495 521353983 /nfs/dbraw/zinc/35/39/83/521353983.db2.gz FVRDDBDVJGXKQN-INIZCTEOSA-N 0 3 312.413 3.695 20 10 DHCDHN CC(C)(C)CCOc1cnccc1CNCc1ccccc1O ZINC000288436497 534588306 /nfs/dbraw/zinc/58/83/06/534588306.db2.gz LLNRFTTUJISEJV-UHFFFAOYSA-N 0 3 314.429 3.892 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156231583 522632382 /nfs/dbraw/zinc/63/23/82/522632382.db2.gz VUESBMJBWKSLIM-CJNGLKHVSA-N 0 3 310.397 3.559 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000156408760 522705886 /nfs/dbraw/zinc/70/58/86/522705886.db2.gz VWINWMIWAZZQSK-ROUUACIJSA-N 0 3 315.413 3.565 20 10 DHCDHN CC[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000155864510 522746612 /nfs/dbraw/zinc/74/66/12/522746612.db2.gz RMIZYWDCSMQJAV-YJBOKZPZSA-N 0 3 324.424 3.518 20 10 DHCDHN Cc1cccc(CNCc2ccc(OC(C)(C)C)nc2)c1O ZINC000181128382 524433186 /nfs/dbraw/zinc/43/31/86/524433186.db2.gz BIBFPWZQJSOXLM-UHFFFAOYSA-N 0 3 300.402 3.563 20 10 DHCDHN COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000266968518 525167080 /nfs/dbraw/zinc/16/70/80/525167080.db2.gz NCLFGYUDONSTSL-UONOGXRCSA-N 0 3 315.413 3.691 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000266592087 525446704 /nfs/dbraw/zinc/44/67/04/525446704.db2.gz NHTBDSKCYFWFBV-INIZCTEOSA-N 0 3 320.440 3.789 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000191193014 525457187 /nfs/dbraw/zinc/45/71/87/525457187.db2.gz UKDLHEXDDOLJHB-LBPRGKRZSA-N 0 3 320.383 3.583 20 10 DHCDHN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccccc1[O-] ZINC000157591620 525508191 /nfs/dbraw/zinc/50/81/91/525508191.db2.gz ZMUDOIZLLBGOSK-PXAZEXFGSA-N 0 3 305.805 3.604 20 10 DHCDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268960253 525625059 /nfs/dbraw/zinc/62/50/59/525625059.db2.gz FNLZTRDQGFLKHP-UZLBHIALSA-N 0 3 312.457 3.917 20 10 DHCDHN C[C@H](O)CC(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000266159546 525708417 /nfs/dbraw/zinc/70/84/17/525708417.db2.gz NELKVUUVXVGMSN-HNNXBMFYSA-N 0 3 313.441 3.946 20 10 DHCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1[O-] ZINC000367718814 526032336 /nfs/dbraw/zinc/03/23/36/526032336.db2.gz GDQRSRGIYRWIJH-RHSMWYFYSA-N 0 3 312.413 3.612 20 10 DHCDHN Cc1nc(CN[C@H](C)c2ccc(C)c(C)c2O)c2n1CCCC2 ZINC000364902935 526893014 /nfs/dbraw/zinc/89/30/14/526893014.db2.gz DSUBVBARXRUGQV-CQSZACIVSA-N 0 3 313.445 3.701 20 10 DHCDHN CC1(CO)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000273826128 535162044 /nfs/dbraw/zinc/16/20/44/535162044.db2.gz DYDZNZJMFLQDCA-UHFFFAOYSA-N 0 3 311.425 3.654 20 10 DHCDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120287591 535805964 /nfs/dbraw/zinc/80/59/64/535805964.db2.gz KFHOVRLZNBCWFE-GOSISDBHSA-N 0 3 313.401 3.902 20 10 DHCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273620008 535981655 /nfs/dbraw/zinc/98/16/55/535981655.db2.gz YTDNLUGIOWKLEY-LMGVVVSRSA-N 0 3 323.502 3.739 20 10 DHCDHN COc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1C ZINC000028925024 1013768781 /nfs/dbraw/zinc/76/87/81/1013768781.db2.gz VAQCCBFIHZSGGG-CQSZACIVSA-N 0 3 312.413 3.813 20 10 DHCDHN C[N@H+](CCCNCc1c([O-])cccc1Cl)C1CCCCC1 ZINC000083551655 1013985483 /nfs/dbraw/zinc/98/54/83/1013985483.db2.gz RRNHMOPOWSRQCF-UHFFFAOYSA-N 0 3 310.869 3.790 20 10 DHCDHN C[N@@H+](CCCNCc1c([O-])cccc1Cl)C1CCCCC1 ZINC000083551655 1013985485 /nfs/dbraw/zinc/98/54/85/1013985485.db2.gz RRNHMOPOWSRQCF-UHFFFAOYSA-N 0 3 310.869 3.790 20 10 DHCDHN CN(C)c1ccc(/C=C\CN2CC[C@@H](c3nccs3)C2)cc1 ZINC000895580520 1015216225 /nfs/dbraw/zinc/21/62/25/1015216225.db2.gz BLOKHZOLUPQEBV-MJSXRHKHSA-N 0 3 313.470 3.712 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788066 1015302615 /nfs/dbraw/zinc/30/26/15/1015302615.db2.gz FFQJGZCHQYRACL-NHYWBVRUSA-N 0 3 315.335 3.565 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788066 1015302624 /nfs/dbraw/zinc/30/26/24/1015302624.db2.gz FFQJGZCHQYRACL-NHYWBVRUSA-N 0 3 315.335 3.565 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3c2cccc3F)c1[O-] ZINC000895856387 1015333950 /nfs/dbraw/zinc/33/39/50/1015333950.db2.gz YSXBAPIWVVIMCZ-HNNXBMFYSA-N 0 3 321.779 3.970 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(N2CCCC2)n1 ZINC000783533702 1015488144 /nfs/dbraw/zinc/48/81/44/1015488144.db2.gz VKKBZZFAUHKXAY-HNNXBMFYSA-N 0 3 311.429 3.547 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)O[C@H](C)[C@@H]3C)c2c1 ZINC000783542356 1015761330 /nfs/dbraw/zinc/76/13/30/1015761330.db2.gz JYVIWGIVEHZARK-MELADBBJSA-N 0 3 315.413 3.552 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)O[C@H](C)[C@@H]3C)c2c1 ZINC000783542356 1015761334 /nfs/dbraw/zinc/76/13/34/1015761334.db2.gz JYVIWGIVEHZARK-MELADBBJSA-N 0 3 315.413 3.552 20 10 DHCDHN C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000184963535 1016468930 /nfs/dbraw/zinc/46/89/30/1016468930.db2.gz BMDOPFMDXYUODT-CYBMUJFWSA-N 0 3 311.360 3.568 20 10 DHCDHN C[C@H]([NH2+]CCCOCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000185080775 1016535345 /nfs/dbraw/zinc/53/53/45/1016535345.db2.gz QBCPSHIXXRDEHC-HNNXBMFYSA-N 0 3 317.404 3.831 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c([O-])c1 ZINC000185091725 1016548854 /nfs/dbraw/zinc/54/88/54/1016548854.db2.gz QJGISTZSNSJANB-AEFFLSMTSA-N 0 3 312.457 3.524 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC000185165476 1016690663 /nfs/dbraw/zinc/69/06/63/1016690663.db2.gz MMTKAODPCWMXAK-OAHLLOKOSA-N 0 3 307.397 3.737 20 10 DHCDHN COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185574745 1017025226 /nfs/dbraw/zinc/02/52/26/1017025226.db2.gz BAZMTISYEHKMMK-STQMWFEESA-N 0 3 319.376 3.658 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000192790257 1017059919 /nfs/dbraw/zinc/05/99/19/1017059919.db2.gz VRGYJTJUVVJVSJ-CHWSQXEVSA-N 0 3 301.386 3.821 20 10 DHCDHN C[N@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccccc1[O-] ZINC000091956806 1032466068 /nfs/dbraw/zinc/46/60/68/1032466068.db2.gz XLZWAFDNWBNICX-UHFFFAOYSA-N 0 3 311.360 3.553 20 10 DHCDHN C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccccc1[O-] ZINC000091956806 1032466076 /nfs/dbraw/zinc/46/60/76/1032466076.db2.gz XLZWAFDNWBNICX-UHFFFAOYSA-N 0 3 311.360 3.553 20 10 DHCDHN CC[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012205 1032527241 /nfs/dbraw/zinc/52/72/41/1032527241.db2.gz VXIYJHAJMDFLQB-RTBURBONSA-N 0 3 316.420 3.666 20 10 DHCDHN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773052202 1032542095 /nfs/dbraw/zinc/54/20/95/1032542095.db2.gz WZIYGHHGYXCXPS-CJNGLKHVSA-N 0 3 304.459 3.507 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccccc1[O-] ZINC000716287107 1032691757 /nfs/dbraw/zinc/69/17/57/1032691757.db2.gz CTVDQSJOAMZWDR-IEBWSBKVSA-N 0 3 310.441 3.707 20 10 DHCDHN Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC000897301292 1017348591 /nfs/dbraw/zinc/34/85/91/1017348591.db2.gz FPIJBRPIYMQSCD-CQSZACIVSA-N 0 3 302.443 3.530 20 10 DHCDHN Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC000897301292 1017348612 /nfs/dbraw/zinc/34/86/12/1017348612.db2.gz FPIJBRPIYMQSCD-CQSZACIVSA-N 0 3 302.443 3.530 20 10 DHCDHN CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(F)cc1[O-] ZINC000840892403 1017416074 /nfs/dbraw/zinc/41/60/74/1017416074.db2.gz ZPTWUFNMWCJIOG-GFCCVEGCSA-N 0 3 307.394 3.501 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000701920907 1018122392 /nfs/dbraw/zinc/12/23/92/1018122392.db2.gz TYMCBAQYNSUCPO-ZFWWWQNUSA-N 0 3 322.449 3.688 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000701921662 1018123332 /nfs/dbraw/zinc/12/33/32/1018123332.db2.gz ZKZKSQXBIYFDIH-KGLIPLIRSA-N 0 3 322.449 3.607 20 10 DHCDHN Cc1c([C@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cnn1C ZINC000263646402 1032746353 /nfs/dbraw/zinc/74/63/53/1032746353.db2.gz BWVIWWIOCHOXQN-AWEZNQCLSA-N 0 3 321.424 3.952 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282529644 1018914546 /nfs/dbraw/zinc/91/45/46/1018914546.db2.gz VFCREGWGSMDHEY-KSSFIOAISA-N 0 3 312.461 3.604 20 10 DHCDHN COc1cccc2c1CC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921836642 1018929123 /nfs/dbraw/zinc/92/91/23/1018929123.db2.gz BVENAVJFSPLVDK-SFHVURJKSA-N 0 3 309.409 3.797 20 10 DHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000765610954 1019001466 /nfs/dbraw/zinc/00/14/66/1019001466.db2.gz ZLQZUALILISPSZ-LLVKDONJSA-N 0 3 302.443 3.800 20 10 DHCDHN CCc1nc2c(s1)[C@@H](NCc1ccc3c(c1)CCO3)CCC2 ZINC000765610669 1019001579 /nfs/dbraw/zinc/00/15/79/1019001579.db2.gz WWPIOACWKZFKNF-AWEZNQCLSA-N 0 3 314.454 3.808 20 10 DHCDHN CC(C)[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765991205 1020102692 /nfs/dbraw/zinc/10/26/92/1020102692.db2.gz BMOAHDFFZHDISP-BBRMVZONSA-N 0 3 310.869 3.644 20 10 DHCDHN CCC(CC)[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732231455 1020214546 /nfs/dbraw/zinc/21/45/46/1020214546.db2.gz XXQKQRODMCRLCN-FQEVSTJZSA-N 0 3 313.441 3.946 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c([O-])c1 ZINC000922844998 1020306660 /nfs/dbraw/zinc/30/66/60/1020306660.db2.gz JMTQQKYAVFARAX-CQSZACIVSA-N 0 3 307.459 3.699 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000858442590 1032897383 /nfs/dbraw/zinc/89/73/83/1032897383.db2.gz KAPUWAICOWTUJT-MJGOQNOKSA-N 0 3 315.413 3.829 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000529636845 1020504164 /nfs/dbraw/zinc/50/41/64/1020504164.db2.gz JDZDWCRLGPVEPF-UHFFFAOYSA-N 0 3 301.361 3.575 20 10 DHCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CCO)c1ccco1 ZINC001116643934 1020595365 /nfs/dbraw/zinc/59/53/65/1020595365.db2.gz WCJOHJNODTXBIG-MCIONIFRSA-N 0 3 301.386 3.555 20 10 DHCDHN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000735323984 1020718592 /nfs/dbraw/zinc/71/85/92/1020718592.db2.gz KCBAUAJVJASIHV-GOSISDBHSA-N 0 3 313.441 3.946 20 10 DHCDHN O=C1C=CC(=NNc2ccc(O[C@@H]3CCNC[C@@H]3F)cc2)C=C1 ZINC001218068370 1020908435 /nfs/dbraw/zinc/90/84/35/1020908435.db2.gz DXFIOTPPKPPYCN-DLBZAZTESA-N 0 3 315.348 3.886 20 10 DHCDHN CCOC(=O)C1(C)CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001171940344 1032947671 /nfs/dbraw/zinc/94/76/71/1032947671.db2.gz RELZPIYRYOULMZ-VNSJNIRKSA-N 0 3 305.418 3.555 20 10 DHCDHN Cc1ccccc1[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000742163237 1021092916 /nfs/dbraw/zinc/09/29/16/1021092916.db2.gz RUQMACYUAZDNHJ-HXUWFJFHSA-N 0 3 311.425 3.891 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)c([O-])c1 ZINC000742380923 1021108684 /nfs/dbraw/zinc/10/86/84/1021108684.db2.gz SINYFJYTJDDLQU-ZDUSSCGKSA-N 0 3 303.402 3.803 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(F)ccc1[O-] ZINC000176986290 1021192145 /nfs/dbraw/zinc/19/21/45/1021192145.db2.gz XJYJMOXLKJNEFD-CYBMUJFWSA-N 0 3 311.360 3.568 20 10 DHCDHN COc1cc(CNCc2cccc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850039735 1021402011 /nfs/dbraw/zinc/40/20/11/1021402011.db2.gz LGCYYRDHHNUDEJ-UHFFFAOYSA-N 0 3 314.429 3.692 20 10 DHCDHN Cc1cc(O)c(CNCc2cccc(OC3CC3)c2F)cc1C ZINC000850365390 1021489900 /nfs/dbraw/zinc/48/99/00/1021489900.db2.gz NJTCSZJLHUOATG-UHFFFAOYSA-N 0 3 315.388 3.979 20 10 DHCDHN CN(C)c1ccc(/C=C\CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850374977 1021497139 /nfs/dbraw/zinc/49/71/39/1021497139.db2.gz OWQGLNBBXMELNF-XSXCZSQGSA-N 0 3 308.425 3.534 20 10 DHCDHN CN(C)c1ccc(CN2CCC3(CCCO3)CC2)c(Cl)c1 ZINC001140925736 1021504897 /nfs/dbraw/zinc/50/48/97/1021504897.db2.gz VIYJKIBQUYIJTF-UHFFFAOYSA-N 0 3 308.853 3.551 20 10 DHCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c([O-])c1 ZINC000850389397 1021506219 /nfs/dbraw/zinc/50/62/19/1021506219.db2.gz WHJYNDWEMJGJRS-SJORKVTESA-N 0 3 319.445 3.617 20 10 DHCDHN C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccn1 ZINC000850483375 1021558366 /nfs/dbraw/zinc/55/83/66/1021558366.db2.gz WQQCQBRJCDAQRK-LALPHHSUSA-N 0 3 300.377 3.868 20 10 DHCDHN C[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccn1 ZINC000850483377 1021559616 /nfs/dbraw/zinc/55/96/16/1021559616.db2.gz WQQCQBRJCDAQRK-ZOWXZIJZSA-N 0 3 300.377 3.868 20 10 DHCDHN CC[C@@H](NCc1c(OC)cccc1OC)c1ccc(C)cc1O ZINC000850504884 1021565342 /nfs/dbraw/zinc/56/53/42/1021565342.db2.gz HMBWYAUDBVPDSH-MRXNPFEDSA-N 0 3 315.413 3.959 20 10 DHCDHN C[NH2+]CCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000070188926 1021579961 /nfs/dbraw/zinc/57/99/61/1021579961.db2.gz YCNBYFFNMGTWNA-UHFFFAOYSA-N 0 3 317.260 3.521 20 10 DHCDHN CC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529812 1021583492 /nfs/dbraw/zinc/58/34/92/1021583492.db2.gz UBKJDGIWLGWYQO-UFYCRDLUSA-N 0 3 310.441 3.972 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(F)ccc1[O-] ZINC000850531356 1021584950 /nfs/dbraw/zinc/58/49/50/1021584950.db2.gz JIFXOBQCHOYPLB-KMFMINBZSA-N 0 3 315.388 3.755 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1[O-] ZINC000850535683 1021589577 /nfs/dbraw/zinc/58/95/77/1021589577.db2.gz ZFPPRTBONASOBY-NSHDSACASA-N 0 3 319.836 3.816 20 10 DHCDHN C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000850572643 1021615356 /nfs/dbraw/zinc/61/53/56/1021615356.db2.gz FRPVBZMXMMJNBL-ZDUSSCGKSA-N 0 3 305.418 3.555 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCN1Cc1ccccc1 ZINC000379646475 1021656926 /nfs/dbraw/zinc/65/69/26/1021656926.db2.gz JEYVYTQYAOOPBX-LPHOPBHVSA-N 0 3 310.441 3.535 20 10 DHCDHN CN(Cc1ccc(Br)s1)Cc1ccccc1O ZINC000109773773 1021745767 /nfs/dbraw/zinc/74/57/67/1021745767.db2.gz WEMWTXIGGHMXKM-UHFFFAOYSA-N 0 3 312.232 3.848 20 10 DHCDHN CN(Cc1ccc(N(C)C)cc1)CC1=Cc2ccccc2OC1 ZINC000155195634 1022057758 /nfs/dbraw/zinc/05/77/58/1022057758.db2.gz WLIMKGLZRWHYJL-UHFFFAOYSA-N 0 3 308.425 3.660 20 10 DHCDHN CC[C@@H](N[C@@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401441 1022093346 /nfs/dbraw/zinc/09/33/46/1022093346.db2.gz QRSVQWJBKHQJEZ-UXHICEINSA-N 0 3 312.457 3.835 20 10 DHCDHN CC[C@@H](N[C@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401444 1022094966 /nfs/dbraw/zinc/09/49/66/1022094966.db2.gz QRSVQWJBKHQJEZ-WOJBJXKFSA-N 0 3 312.457 3.835 20 10 DHCDHN c1csc(SCCCNc2ccnc3ccccc32)n1 ZINC000746461198 1022117788 /nfs/dbraw/zinc/11/77/88/1022117788.db2.gz UGWHBORUULXEPL-UHFFFAOYSA-N 0 3 301.440 3.708 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccccc1[O-] ZINC000183514550 1022169932 /nfs/dbraw/zinc/16/99/32/1022169932.db2.gz XDQJTURKJWKINN-WBMJQRKESA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]CCN2CCCCCC2)c2c1c(F)ccc2[O-] ZINC000756378488 1022170464 /nfs/dbraw/zinc/17/04/64/1022170464.db2.gz FRHMDSUGTUFEKF-ZFWWWQNUSA-N 0 3 306.425 3.545 20 10 DHCDHN CN(C(=O)c1cccc2c1CCNC2)c1ccc(C(C)(C)C)cc1 ZINC000852820416 1022180784 /nfs/dbraw/zinc/18/07/84/1022180784.db2.gz VRWIIRCFCQPLSF-UHFFFAOYSA-N 0 3 322.452 3.906 20 10 DHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183556546 1022190087 /nfs/dbraw/zinc/19/00/87/1022190087.db2.gz QUBLQUXQRGDIBP-SOLBZPMBSA-N 0 3 310.441 3.706 20 10 DHCDHN C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000853240553 1022242088 /nfs/dbraw/zinc/24/20/88/1022242088.db2.gz HVLRQNWUEZTIEA-VIFPVBQESA-N 0 3 314.282 3.796 20 10 DHCDHN CCn1nccc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000853239576 1022242951 /nfs/dbraw/zinc/24/29/51/1022242951.db2.gz IFYMYKJFTIPPQT-INIZCTEOSA-N 0 3 312.461 3.744 20 10 DHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)c1ccccc1 ZINC000111232827 1022252371 /nfs/dbraw/zinc/25/23/71/1022252371.db2.gz SVPDNIRZAUHWHU-HXUWFJFHSA-N 0 3 323.392 3.721 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2ccon2)CC1 ZINC000853592812 1022296689 /nfs/dbraw/zinc/29/66/89/1022296689.db2.gz FHIJDYQRVYWSLP-UHFFFAOYSA-N 0 3 308.381 3.913 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000179583977 1022475788 /nfs/dbraw/zinc/47/57/88/1022475788.db2.gz YRUJUUFZIKOGOB-LJQANCHMSA-N 0 3 311.425 3.616 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000179583977 1022475793 /nfs/dbraw/zinc/47/57/93/1022475793.db2.gz YRUJUUFZIKOGOB-LJQANCHMSA-N 0 3 311.425 3.616 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000185660674 1022511415 /nfs/dbraw/zinc/51/14/15/1022511415.db2.gz QXDGPTJIPWCNSH-ZDUSSCGKSA-N 0 3 322.449 3.655 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CF)C2)cc1Br ZINC001237678723 1022535016 /nfs/dbraw/zinc/53/50/16/1022535016.db2.gz LNBPPCZYVSWOCD-LLVKDONJSA-N 0 3 316.214 3.645 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CF)C2)cc1Br ZINC001237678723 1022535022 /nfs/dbraw/zinc/53/50/22/1022535022.db2.gz LNBPPCZYVSWOCD-LLVKDONJSA-N 0 3 316.214 3.645 20 10 DHCDHN OC1CCN(c2ccc(CN3CC[C@@H]3c3ccccc3)cc2)CC1 ZINC000876512585 1033082464 /nfs/dbraw/zinc/08/24/64/1033082464.db2.gz SPFAKVZFOHOWFM-OAQYLSRUSA-N 0 3 322.452 3.595 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000768214057 1022927132 /nfs/dbraw/zinc/92/71/32/1022927132.db2.gz GXJFMHOTIJDJDG-UHFFFAOYSA-N 0 3 309.409 3.999 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000768214057 1022927136 /nfs/dbraw/zinc/92/71/36/1022927136.db2.gz GXJFMHOTIJDJDG-UHFFFAOYSA-N 0 3 309.409 3.999 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000768227617 1022929402 /nfs/dbraw/zinc/92/94/02/1022929402.db2.gz SBABAKCXKPGEOB-MRXNPFEDSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000768227617 1022929410 /nfs/dbraw/zinc/92/94/10/1022929410.db2.gz SBABAKCXKPGEOB-MRXNPFEDSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000768269171 1022935877 /nfs/dbraw/zinc/93/58/77/1022935877.db2.gz GBWLGFHEJPURPS-UHFFFAOYSA-N 0 3 301.386 3.939 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000768269171 1022935883 /nfs/dbraw/zinc/93/58/83/1022935883.db2.gz GBWLGFHEJPURPS-UHFFFAOYSA-N 0 3 301.386 3.939 20 10 DHCDHN COCC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541268 1022986183 /nfs/dbraw/zinc/98/61/83/1022986183.db2.gz MGTJVICNUMHIME-AWEZNQCLSA-N 0 3 311.853 3.993 20 10 DHCDHN COCC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541268 1022986193 /nfs/dbraw/zinc/98/61/93/1022986193.db2.gz MGTJVICNUMHIME-AWEZNQCLSA-N 0 3 311.853 3.993 20 10 DHCDHN CC[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363704 1023088703 /nfs/dbraw/zinc/08/87/03/1023088703.db2.gz OBEWZDVNMOMVNV-ICSRJNTNSA-N 0 3 321.424 3.956 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000769209348 1023102074 /nfs/dbraw/zinc/10/20/74/1023102074.db2.gz SHUNJVOAERNUHT-UHFFFAOYSA-N 0 3 314.429 3.656 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000769340757 1023128163 /nfs/dbraw/zinc/12/81/63/1023128163.db2.gz XUITVVNUUDVOBN-CQSZACIVSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000769340757 1023128170 /nfs/dbraw/zinc/12/81/70/1023128170.db2.gz XUITVVNUUDVOBN-CQSZACIVSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2[O-])cc1F ZINC000769495380 1023167187 /nfs/dbraw/zinc/16/71/87/1023167187.db2.gz PKTRRCXZLITBMU-CYBMUJFWSA-N 0 3 303.377 3.508 20 10 DHCDHN CCOc1cccc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000769504289 1023168699 /nfs/dbraw/zinc/16/86/99/1023168699.db2.gz SHHNOPCFZAIKNG-FQEVSTJZSA-N 0 3 311.425 3.955 20 10 DHCDHN CCOc1cccc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000769504289 1023168705 /nfs/dbraw/zinc/16/87/05/1023168705.db2.gz SHHNOPCFZAIKNG-FQEVSTJZSA-N 0 3 311.425 3.955 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(CO)CCCC1 ZINC000769935792 1023251361 /nfs/dbraw/zinc/25/13/61/1023251361.db2.gz RMTYDKPNNZSCAM-UHFFFAOYSA-N 0 3 311.425 3.702 20 10 DHCDHN CN1CCCc2cc(CN[C@@H]3CCCc4ccc(O)cc43)ccc21 ZINC000788584748 1023909902 /nfs/dbraw/zinc/90/99/02/1023909902.db2.gz QAOJDYAGERKGJF-HXUWFJFHSA-N 0 3 322.452 3.942 20 10 DHCDHN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000788621571 1023915131 /nfs/dbraw/zinc/91/51/31/1023915131.db2.gz MEVWDWPAEZZOJF-FASAQXTFSA-N 0 3 317.404 3.940 20 10 DHCDHN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000788621569 1023915476 /nfs/dbraw/zinc/91/54/76/1023915476.db2.gz MEVWDWPAEZZOJF-AGRHKRQWSA-N 0 3 317.404 3.940 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000789769316 1024161545 /nfs/dbraw/zinc/16/15/45/1024161545.db2.gz OBIIJSCDPPRDAT-HNNXBMFYSA-N 0 3 314.404 3.538 20 10 DHCDHN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000162653748 1024192902 /nfs/dbraw/zinc/19/29/02/1024192902.db2.gz CZGWGNHZHMMJHH-GOSISDBHSA-N 0 3 321.424 3.788 20 10 DHCDHN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000162653748 1024192906 /nfs/dbraw/zinc/19/29/06/1024192906.db2.gz CZGWGNHZHMMJHH-GOSISDBHSA-N 0 3 321.424 3.788 20 10 DHCDHN CC[C@H](NCc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000130862086 1024226894 /nfs/dbraw/zinc/22/68/94/1024226894.db2.gz RAJGQPDWZRYKDV-KRWDZBQOSA-N 0 3 312.413 3.722 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3CSC)c2c1 ZINC000130908744 1024229732 /nfs/dbraw/zinc/22/97/32/1024229732.db2.gz GACFDXIFQIACCN-CQSZACIVSA-N 0 3 317.454 3.881 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3CSC)c2c1 ZINC000130908744 1024229749 /nfs/dbraw/zinc/22/97/49/1024229749.db2.gz GACFDXIFQIACCN-CQSZACIVSA-N 0 3 317.454 3.881 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1ccnn1-c1ccccc1 ZINC000790473535 1024306992 /nfs/dbraw/zinc/30/69/92/1024306992.db2.gz PWFBXCUWOJYUAI-UHFFFAOYSA-N 0 3 320.440 3.537 20 10 DHCDHN COc1ccc(C2CC2)cc1CNCc1ccc(N(C)C)cc1 ZINC000883258774 1024328806 /nfs/dbraw/zinc/32/88/06/1024328806.db2.gz PGNBPYVGAGCFFQ-UHFFFAOYSA-N 0 3 310.441 3.928 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000105491799 1024393383 /nfs/dbraw/zinc/39/33/83/1024393383.db2.gz JSHJIIOOUKMOFJ-OAHLLOKOSA-N 0 3 318.214 3.932 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1F ZINC000790995234 1024415676 /nfs/dbraw/zinc/41/56/76/1024415676.db2.gz IIFHUBBMQAPVKR-KRWDZBQOSA-N 0 3 314.404 3.765 20 10 DHCDHN C[C@H]1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271339549 1024491710 /nfs/dbraw/zinc/49/17/10/1024491710.db2.gz GMBABBKRRNGSRF-JKSUJKDBSA-N 0 3 311.425 3.964 20 10 DHCDHN C[C@H]([NH2+]CCCN(C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000317500306 1024549750 /nfs/dbraw/zinc/54/97/50/1024549750.db2.gz GHUHNUBUERDWSB-AWEZNQCLSA-N 0 3 302.393 3.708 20 10 DHCDHN Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c([O-])c1 ZINC000877065041 1033224732 /nfs/dbraw/zinc/22/47/32/1033224732.db2.gz WEKFKGFVCRBIJM-UHFFFAOYSA-N 0 3 315.388 3.635 20 10 DHCDHN Cc1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000792920385 1024839923 /nfs/dbraw/zinc/83/99/23/1024839923.db2.gz WVJPAUSCTAXAFB-UHFFFAOYSA-N 0 3 323.362 3.765 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000877116644 1033244675 /nfs/dbraw/zinc/24/46/75/1033244675.db2.gz SDHHCRLPNJKPRR-SFHVURJKSA-N 0 3 313.441 3.593 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000793230085 1024945656 /nfs/dbraw/zinc/94/56/56/1024945656.db2.gz DXPOFWQOCXJKTC-MFKMUULPSA-N 0 3 303.324 3.564 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000793230085 1024945663 /nfs/dbraw/zinc/94/56/63/1024945663.db2.gz DXPOFWQOCXJKTC-MFKMUULPSA-N 0 3 303.324 3.564 20 10 DHCDHN COc1ccc(O)c(CN(C)Cc2ccccc2SC)c1 ZINC000793232275 1024949442 /nfs/dbraw/zinc/94/94/42/1024949442.db2.gz KZLKKLXJJIRFDV-UHFFFAOYSA-N 0 3 303.427 3.755 20 10 DHCDHN CCOc1ccc(C[NH2+]Cc2ccc3ncccc3c2)c([O-])c1 ZINC000793269958 1024971380 /nfs/dbraw/zinc/97/13/80/1024971380.db2.gz RZVPLIOVQMGBOG-UHFFFAOYSA-N 0 3 308.381 3.629 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)CCc2ccc(F)cc2)c([O-])c1 ZINC000793387496 1025028998 /nfs/dbraw/zinc/02/89/98/1025028998.db2.gz FQNCXCKRFCYHMI-CYBMUJFWSA-N 0 3 303.377 3.651 20 10 DHCDHN Cc1ccc(O)c(CN[C@H](C)c2ccc(Br)cn2)c1 ZINC000279643237 1025120007 /nfs/dbraw/zinc/12/00/07/1025120007.db2.gz DCLVITAZGYQMSS-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCCC2 ZINC000236879172 1025353735 /nfs/dbraw/zinc/35/37/35/1025353735.db2.gz QIYKNGAEJWHXEZ-QZTJIDSGSA-N 0 3 319.445 3.618 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000236845889 1025426728 /nfs/dbraw/zinc/42/67/28/1025426728.db2.gz KWWBVZHCHCYZDN-NSHDSACASA-N 0 3 307.340 3.920 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(C)cc1[O-] ZINC000279933174 1025512662 /nfs/dbraw/zinc/51/26/62/1025512662.db2.gz AWHMHYXNNHQRIP-AEFFLSMTSA-N 0 3 303.377 3.614 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805749235 1025657448 /nfs/dbraw/zinc/65/74/48/1025657448.db2.gz WWTGLVQNWVSVPO-WBVHZDCISA-N 0 3 319.832 3.690 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886506510 1025661073 /nfs/dbraw/zinc/66/10/73/1025661073.db2.gz VWPZVEBJULVNJY-IBGZPJMESA-N 0 3 314.477 3.753 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(Cl)c2OC)c1 ZINC000897481335 1025803881 /nfs/dbraw/zinc/80/38/81/1025803881.db2.gz CUZCBIWZSCIPOJ-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000806179384 1025834655 /nfs/dbraw/zinc/83/46/55/1025834655.db2.gz CEXKOLXHFUZDFQ-WCQYABFASA-N 0 3 323.795 3.611 20 10 DHCDHN CC1(C)Cc2cc(CNCc3ccc4c(c3)CCO4)ccc2O1 ZINC000729679687 1025934845 /nfs/dbraw/zinc/93/48/45/1025934845.db2.gz ONPFQJZIKAMHJD-UHFFFAOYSA-N 0 3 309.409 3.625 20 10 DHCDHN COc1cc(O)c(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245541282 1026064189 /nfs/dbraw/zinc/06/41/89/1026064189.db2.gz NXKCXBGIRSSWCL-ORAYPTAESA-N 0 3 313.397 3.602 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c([O-])c1 ZINC000290002529 1026276602 /nfs/dbraw/zinc/27/66/02/1026276602.db2.gz ZGTJZACMTGJANR-SCLBCKFNSA-N 0 3 317.454 3.901 20 10 DHCDHN COc1cc(Cl)cc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000290010017 1026280387 /nfs/dbraw/zinc/28/03/87/1026280387.db2.gz DPLQRGOGJVHRCB-HWPZZCPQSA-N 0 3 319.788 3.666 20 10 DHCDHN COc1ccc(C[NH2+]C2CC(c3ccc(F)cc3F)C2)c([O-])c1 ZINC000894186774 1026335249 /nfs/dbraw/zinc/33/52/49/1026335249.db2.gz YRSCKYOZWLVNIM-UHFFFAOYSA-N 0 3 319.351 3.715 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000808682831 1026347110 /nfs/dbraw/zinc/34/71/10/1026347110.db2.gz WUOGXVVSVYCNFV-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)c1[O-] ZINC000808692936 1026349932 /nfs/dbraw/zinc/34/99/32/1026349932.db2.gz XBUPNBJCXASGDS-LRDDRELGSA-N 0 3 311.853 3.946 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)c1[O-] ZINC000808703018 1026356069 /nfs/dbraw/zinc/35/60/69/1026356069.db2.gz RDVKVBIDRFTVKL-WBMJQRKESA-N 0 3 305.805 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)c1[O-] ZINC000808707008 1026358134 /nfs/dbraw/zinc/35/81/34/1026358134.db2.gz YQNIZRDWSAKZQA-MLGOLLRUSA-N 0 3 311.853 3.946 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c1[O-] ZINC000808695959 1026373899 /nfs/dbraw/zinc/37/38/99/1026373899.db2.gz QIDOURYFHOFSRH-YBTHPKLGSA-N 0 3 317.882 3.552 20 10 DHCDHN CC(C)(C)c1cc([O-])c(CN2CCC[C@@](C)([NH3+])C2)cc1Cl ZINC001204946968 1026410514 /nfs/dbraw/zinc/41/05/14/1026410514.db2.gz VNDXLSAPECNWTK-QGZVFWFLSA-N 0 3 310.869 3.656 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(C)cc1[O-] ZINC000279997914 1026571651 /nfs/dbraw/zinc/57/16/51/1026571651.db2.gz FRSMGNXRPXWDOA-YOEHRIQHSA-N 0 3 301.434 3.583 20 10 DHCDHN C[N@H+](CCCn1ccnc1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809752496 1026615576 /nfs/dbraw/zinc/61/55/76/1026615576.db2.gz FDCXGHRSFCLYOO-UHFFFAOYSA-N 0 3 321.424 3.778 20 10 DHCDHN C[N@@H+](CCCn1ccnc1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809752496 1026615581 /nfs/dbraw/zinc/61/55/81/1026615581.db2.gz FDCXGHRSFCLYOO-UHFFFAOYSA-N 0 3 321.424 3.778 20 10 DHCDHN C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765521 1026621058 /nfs/dbraw/zinc/62/10/58/1026621058.db2.gz NSEGANLEUGTAJA-OXQOHEQNSA-N 0 3 324.468 3.831 20 10 DHCDHN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765521 1026621062 /nfs/dbraw/zinc/62/10/62/1026621062.db2.gz NSEGANLEUGTAJA-OXQOHEQNSA-N 0 3 324.468 3.831 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(C)cc1[O-] ZINC000280249573 1026624263 /nfs/dbraw/zinc/62/42/63/1026624263.db2.gz WNNKDOVTWFRQNV-CYGHRXIMSA-N 0 3 301.430 3.699 20 10 DHCDHN COc1cc(O)c(CN[C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000271839471 1027156898 /nfs/dbraw/zinc/15/68/98/1027156898.db2.gz QORMKUDRSHBKQF-JTQLQIEISA-N 0 3 323.339 3.538 20 10 DHCDHN Cc1c([C@@H]2CCC[N@@H+]2Cc2c([O-])ccc3ccccc32)cnn1C ZINC000362431357 1027199253 /nfs/dbraw/zinc/19/92/53/1027199253.db2.gz HOVSDIUMVNGTIW-IBGZPJMESA-N 0 3 321.424 3.924 20 10 DHCDHN Cc1c([C@@H]2CCC[N@H+]2Cc2c([O-])ccc3ccccc32)cnn1C ZINC000362431357 1027199268 /nfs/dbraw/zinc/19/92/68/1027199268.db2.gz HOVSDIUMVNGTIW-IBGZPJMESA-N 0 3 321.424 3.924 20 10 DHCDHN CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295816761 1027442995 /nfs/dbraw/zinc/44/29/95/1027442995.db2.gz DBOATQYNVMPVCX-QGZVFWFLSA-N 0 3 324.424 3.908 20 10 DHCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000296238708 1027583329 /nfs/dbraw/zinc/58/33/29/1027583329.db2.gz ASQBCTCDADRXHO-NEPJUHHUSA-N 0 3 305.340 3.709 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)CC2 ZINC000296302130 1027600906 /nfs/dbraw/zinc/60/09/06/1027600906.db2.gz FYAJJHIFPGNOJT-GFCCVEGCSA-N 0 3 308.303 3.583 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)c(F)c(F)c2)c1 ZINC000813331770 1027609168 /nfs/dbraw/zinc/60/91/68/1027609168.db2.gz UMQQHLSEQZDVPB-VIFPVBQESA-N 0 3 311.303 3.669 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000296525473 1027660658 /nfs/dbraw/zinc/66/06/58/1027660658.db2.gz RIFHVFJXAODJBY-ZHALLVOQSA-N 0 3 309.409 3.889 20 10 DHCDHN CCSc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)ccn1 ZINC000296568708 1027672259 /nfs/dbraw/zinc/67/22/59/1027672259.db2.gz UXCQBOZSFLVCJU-AWEZNQCLSA-N 0 3 300.427 3.676 20 10 DHCDHN COC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 ZINC000296854959 1027743712 /nfs/dbraw/zinc/74/37/12/1027743712.db2.gz NLBALKIZWVNPGB-HZPDHXFCSA-N 0 3 319.351 3.635 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000779020632 1027853054 /nfs/dbraw/zinc/85/30/54/1027853054.db2.gz NSKLWRNNSLNVSV-AWEZNQCLSA-N 0 3 303.352 3.735 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000779020632 1027853070 /nfs/dbraw/zinc/85/30/70/1027853070.db2.gz NSKLWRNNSLNVSV-AWEZNQCLSA-N 0 3 303.352 3.735 20 10 DHCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000779021054 1027871951 /nfs/dbraw/zinc/87/19/51/1027871951.db2.gz QPIPGKHTCDUGFE-GOSISDBHSA-N 0 3 314.404 3.632 20 10 DHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000779021054 1027871967 /nfs/dbraw/zinc/87/19/67/1027871967.db2.gz QPIPGKHTCDUGFE-GOSISDBHSA-N 0 3 314.404 3.632 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000365614511 1027983670 /nfs/dbraw/zinc/98/36/70/1027983670.db2.gz UMLMTZRKEKHVDW-ZFWWWQNUSA-N 0 3 305.809 3.640 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000365614511 1027983685 /nfs/dbraw/zinc/98/36/85/1027983685.db2.gz UMLMTZRKEKHVDW-ZFWWWQNUSA-N 0 3 305.809 3.640 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccccc1[O-] ZINC000528043640 1028059412 /nfs/dbraw/zinc/05/94/12/1028059412.db2.gz OSLXLJAVASXHQE-VQIMIIECSA-N 0 3 312.413 3.988 20 10 DHCDHN COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C2CC2)cn1 ZINC000528044192 1028073702 /nfs/dbraw/zinc/07/37/02/1028073702.db2.gz RYRNYXVOINNNSQ-YJYMSZOUSA-N 0 3 312.413 3.906 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000779087372 1028221536 /nfs/dbraw/zinc/22/15/36/1028221536.db2.gz LBDVSUILGPMSOF-OAVHHTNSSA-N 0 3 301.361 3.574 20 10 DHCDHN Cc1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815118967 1028365159 /nfs/dbraw/zinc/36/51/59/1028365159.db2.gz NWROIWXOJDAMLI-MOPGFXCFSA-N 0 3 314.473 3.595 20 10 DHCDHN COC[C@@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815566379 1028545715 /nfs/dbraw/zinc/54/57/15/1028545715.db2.gz RPXPWDSQUGKGJC-LPHOPBHVSA-N 0 3 313.441 3.938 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2ccsc2)C1 ZINC000369928992 1028547727 /nfs/dbraw/zinc/54/77/27/1028547727.db2.gz GFCAPGQSFIOAQB-DOTOQJQBSA-N 0 3 303.427 3.978 20 10 DHCDHN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1cc[nH]n1 ZINC000815576944 1028551695 /nfs/dbraw/zinc/55/16/95/1028551695.db2.gz CCCAPZHVWZXMFE-GOSISDBHSA-N 0 3 307.397 3.579 20 10 DHCDHN CC[C@@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582691 1028554544 /nfs/dbraw/zinc/55/45/44/1028554544.db2.gz MXOFFTSHSZFCNY-HKUYNNGSSA-N 0 3 313.441 3.817 20 10 DHCDHN COc1nc(C)cc(C)c1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000815574520 1028566298 /nfs/dbraw/zinc/56/62/98/1028566298.db2.gz SXCCNQNIXZLEAK-OAHLLOKOSA-N 0 3 314.429 3.880 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c([O-])c1 ZINC000815623482 1028574832 /nfs/dbraw/zinc/57/48/32/1028574832.db2.gz YTHLVSRNLXDYSY-FUHWJXTLSA-N 0 3 313.441 3.653 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(OC2CCOCC2)CC1 ZINC000370213115 1028578174 /nfs/dbraw/zinc/57/81/74/1028578174.db2.gz RPADZLDYTXVDEA-GOSISDBHSA-N 0 3 319.445 3.503 20 10 DHCDHN CCc1noc(C)c1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815641137 1028589525 /nfs/dbraw/zinc/58/95/25/1028589525.db2.gz QOAWFPGVHHYHIP-XPTSAGLGSA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1noc(C)c1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815641137 1028589536 /nfs/dbraw/zinc/58/95/36/1028589536.db2.gz QOAWFPGVHHYHIP-XPTSAGLGSA-N 0 3 304.365 3.728 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2cccs2)C1 ZINC000372518970 1028868151 /nfs/dbraw/zinc/86/81/51/1028868151.db2.gz XOUAPYURVFTGEM-GOEBONIOSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000372518970 1028868172 /nfs/dbraw/zinc/86/81/72/1028868172.db2.gz XOUAPYURVFTGEM-GOEBONIOSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000372518970 1028868190 /nfs/dbraw/zinc/86/81/90/1028868190.db2.gz XOUAPYURVFTGEM-GOEBONIOSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000372603339 1028873421 /nfs/dbraw/zinc/87/34/21/1028873421.db2.gz ZZKAZLGJAOFRQW-KRWDZBQOSA-N 0 3 311.429 3.821 20 10 DHCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC000816515422 1028912014 /nfs/dbraw/zinc/91/20/14/1028912014.db2.gz ZAVMQGIETWDRLE-HNAYVOBHSA-N 0 3 312.457 3.708 20 10 DHCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC000816515422 1028912028 /nfs/dbraw/zinc/91/20/28/1028912028.db2.gz ZAVMQGIETWDRLE-HNAYVOBHSA-N 0 3 312.457 3.708 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000372965006 1028927863 /nfs/dbraw/zinc/92/78/63/1028927863.db2.gz AUKXYNBTCDMJEK-UHFFFAOYSA-N 0 3 302.805 3.820 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000373112562 1028956587 /nfs/dbraw/zinc/95/65/87/1028956587.db2.gz MCIYPQAVMDQTOY-UHFFFAOYSA-N 0 3 315.388 3.713 20 10 DHCDHN C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610051 1028958929 /nfs/dbraw/zinc/95/89/29/1028958929.db2.gz WKUOGVJKJDFBCF-KXBFYZLASA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610051 1028958945 /nfs/dbraw/zinc/95/89/45/1028958945.db2.gz WKUOGVJKJDFBCF-KXBFYZLASA-N 0 3 310.441 3.604 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666369 1028984860 /nfs/dbraw/zinc/98/48/60/1028984860.db2.gz LNNPJZXRPKQCFA-WOJBJXKFSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666369 1028984870 /nfs/dbraw/zinc/98/48/70/1028984870.db2.gz LNNPJZXRPKQCFA-WOJBJXKFSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630764 1028985347 /nfs/dbraw/zinc/98/53/47/1028985347.db2.gz QVRUAWZWGSLYDJ-HXUWFJFHSA-N 0 3 323.436 3.939 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630764 1028985360 /nfs/dbraw/zinc/98/53/60/1028985360.db2.gz QVRUAWZWGSLYDJ-HXUWFJFHSA-N 0 3 323.436 3.939 20 10 DHCDHN Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)Cc1ccccc1[O-] ZINC000373594310 1029091548 /nfs/dbraw/zinc/09/15/48/1029091548.db2.gz NVDCJZGERKRUIF-AWEZNQCLSA-N 0 3 302.443 3.709 20 10 DHCDHN Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)Cc1ccccc1[O-] ZINC000373594310 1029091564 /nfs/dbraw/zinc/09/15/64/1029091564.db2.gz NVDCJZGERKRUIF-AWEZNQCLSA-N 0 3 302.443 3.709 20 10 DHCDHN CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1[O-] ZINC000155327476 1029223865 /nfs/dbraw/zinc/22/38/65/1029223865.db2.gz MTEJGFPJNWGKAL-HNNXBMFYSA-N 0 3 309.413 3.942 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnccc1N ZINC000817902691 1029271819 /nfs/dbraw/zinc/27/18/19/1029271819.db2.gz XCSPJSZYXGXEBX-MRXNPFEDSA-N 0 3 324.472 3.581 20 10 DHCDHN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnccc1N ZINC000817902690 1029272987 /nfs/dbraw/zinc/27/29/87/1029272987.db2.gz XCSPJSZYXGXEBX-INIZCTEOSA-N 0 3 324.472 3.581 20 10 DHCDHN CC(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000817952280 1029292826 /nfs/dbraw/zinc/29/28/26/1029292826.db2.gz DGVBHLFYZITFNF-ROUUACIJSA-N 0 3 310.441 3.793 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969274 1029307352 /nfs/dbraw/zinc/30/73/52/1029307352.db2.gz AREHRDQWZUGILQ-IIMNLJJBSA-N 0 3 317.260 3.738 20 10 DHCDHN CC[C@@H]([NH2+]CCCNC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817984119 1029322986 /nfs/dbraw/zinc/32/29/86/1029322986.db2.gz NKIUVDIGHSZQNZ-CQSZACIVSA-N 0 3 317.260 3.882 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H](C)c2cc3cnccc3o2)c1 ZINC000865855350 1030062146 /nfs/dbraw/zinc/06/21/46/1030062146.db2.gz YTFAORXMFSVYJH-LBPRGKRZSA-N 0 3 312.369 3.783 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000925077809 1030265716 /nfs/dbraw/zinc/26/57/16/1030265716.db2.gz CJCKUQNMTWTAOP-OAHLLOKOSA-N 0 3 312.461 3.833 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925077808 1030267276 /nfs/dbraw/zinc/26/72/76/1030267276.db2.gz CJCKUQNMTWTAOP-HNNXBMFYSA-N 0 3 312.461 3.833 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485264 1030320659 /nfs/dbraw/zinc/32/06/59/1030320659.db2.gz HSLVNMAOPMAACQ-YGRLFVJLSA-N 0 3 310.353 3.577 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000866538261 1030357867 /nfs/dbraw/zinc/35/78/67/1030357867.db2.gz PWENHZQQIHSLQB-DSRCVFDASA-N 0 3 319.420 3.732 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824695762 1030613214 /nfs/dbraw/zinc/61/32/14/1030613214.db2.gz CJRNXQCDICPTJG-BBWFWOEESA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824695762 1030613223 /nfs/dbraw/zinc/61/32/23/1030613223.db2.gz CJRNXQCDICPTJG-BBWFWOEESA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000824798898 1030640649 /nfs/dbraw/zinc/64/06/49/1030640649.db2.gz IPLBXDUZQIZCAG-XJKSGUPXSA-N 0 3 311.853 3.895 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CC(c2ccc(Cl)cc2)C1 ZINC000824988628 1030694187 /nfs/dbraw/zinc/69/41/87/1030694187.db2.gz PSPLSCCZZPAYHT-UHFFFAOYSA-N 0 3 303.789 3.654 20 10 DHCDHN C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000825046747 1030706284 /nfs/dbraw/zinc/70/62/84/1030706284.db2.gz XIWVADBMUIBZJP-OAHLLOKOSA-N 0 3 321.424 3.514 20 10 DHCDHN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000825098384 1030711457 /nfs/dbraw/zinc/71/14/57/1030711457.db2.gz HXSSBYGRDKRXTA-VLIAUNLRSA-N 0 3 311.425 3.962 20 10 DHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccsc1)OCO2 ZINC000054513361 1030980997 /nfs/dbraw/zinc/98/09/97/1030980997.db2.gz IINHQHRJWYQSLP-ZDUSSCGKSA-N 0 3 303.383 3.520 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCC3)c([O-])c1 ZINC000926930620 1031001927 /nfs/dbraw/zinc/00/19/27/1031001927.db2.gz JBMDRMVVROKALD-GFCCVEGCSA-N 0 3 302.443 3.539 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2[O-] ZINC000927090182 1031082681 /nfs/dbraw/zinc/08/26/81/1031082681.db2.gz JJCSLEJIUVHMLJ-XHDPSFHLSA-N 0 3 313.372 3.804 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293631427 1031547418 /nfs/dbraw/zinc/54/74/18/1031547418.db2.gz LNPKHBDIFGWIJA-KRWDZBQOSA-N 0 3 321.848 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293631427 1031547428 /nfs/dbraw/zinc/54/74/28/1031547428.db2.gz LNPKHBDIFGWIJA-KRWDZBQOSA-N 0 3 321.848 3.745 20 10 DHCDHN Cc1cc(C)c([C@H](C)NCc2cn3c(cccc3C)n2)c(O)c1 ZINC000293842764 1031652740 /nfs/dbraw/zinc/65/27/40/1031652740.db2.gz SYCNMFIEMYCTTJ-HNNXBMFYSA-N 0 3 309.413 3.816 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)nc1 ZINC000873185484 1031748226 /nfs/dbraw/zinc/74/82/26/1031748226.db2.gz VUJIHBLUEXKKFM-LLVKDONJSA-N 0 3 322.330 3.886 20 10 DHCDHN CCc1cccc(F)c1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845973279 1031787938 /nfs/dbraw/zinc/78/79/38/1031787938.db2.gz YEHOBTOIRHIDEX-LBPRGKRZSA-N 0 3 303.377 3.953 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000845992505 1031796097 /nfs/dbraw/zinc/79/60/97/1031796097.db2.gz NABHPLQNDMQDIP-HNNXBMFYSA-N 0 3 300.358 3.850 20 10 DHCDHN CCOc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c([O-])c1 ZINC000846031845 1031822559 /nfs/dbraw/zinc/82/25/59/1031822559.db2.gz CPIMRHZMQPXTJY-GJZGRUSLSA-N 0 3 301.789 3.585 20 10 DHCDHN CCN(CC)c1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000846118827 1031865387 /nfs/dbraw/zinc/86/53/87/1031865387.db2.gz ZODMWMAWAJFZJK-MRXNPFEDSA-N 0 3 312.379 3.903 20 10 DHCDHN CN(C)c1ccc(/C=C\CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846105383 1031879855 /nfs/dbraw/zinc/87/98/55/1031879855.db2.gz TVHIVPBSWWRJFR-IVZVJUQRSA-N 0 3 306.400 3.887 20 10 DHCDHN COc1cccc([C@H](C)NCc2cc(C)cc(Cl)n2)c1O ZINC000846168354 1031896619 /nfs/dbraw/zinc/89/66/19/1031896619.db2.gz SRROTGVPCHEDMF-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H](C)c2ccccc2OC)c1O ZINC000846135596 1031900297 /nfs/dbraw/zinc/90/02/97/1031900297.db2.gz DQAUNVCQCFMOFZ-STQMWFEESA-N 0 3 301.386 3.821 20 10 DHCDHN CCC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142811 1031904190 /nfs/dbraw/zinc/90/41/90/1031904190.db2.gz BHDLCULQAWRMER-CZUORRHYSA-N 0 3 300.402 3.988 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c([O-])c1 ZINC000877538981 1033344429 /nfs/dbraw/zinc/34/44/29/1033344429.db2.gz HVTSTLZQSVLAKE-HXUWFJFHSA-N 0 3 323.436 3.884 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c([O-])c1 ZINC000877576029 1033366818 /nfs/dbraw/zinc/36/68/18/1033366818.db2.gz CTHRQWYZNRAHBM-MRXNPFEDSA-N 0 3 305.443 3.612 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c([O-])c1 ZINC000877607519 1033380218 /nfs/dbraw/zinc/38/02/18/1033380218.db2.gz HCRMSMPTBUDFFB-FQEVSTJZSA-N 0 3 323.436 3.860 20 10 DHCDHN [O-]c1cc(O)ccc1C[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172819215 1033380687 /nfs/dbraw/zinc/38/06/87/1033380687.db2.gz CTICGHTWNLUMIH-UHFFFAOYSA-N 0 3 311.425 3.989 20 10 DHCDHN Cc1cccc(O)c1CNCc1cc(F)ccc1OC(F)F ZINC000877637564 1033390642 /nfs/dbraw/zinc/39/06/42/1033390642.db2.gz WHXIJEPSWAAXDX-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1O ZINC000877755940 1033433230 /nfs/dbraw/zinc/43/32/30/1033433230.db2.gz UCQPBAINTAALEE-LLVKDONJSA-N 0 3 306.356 3.587 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1[O-] ZINC000877755940 1033433239 /nfs/dbraw/zinc/43/32/39/1033433239.db2.gz UCQPBAINTAALEE-LLVKDONJSA-N 0 3 306.356 3.587 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC001172951542 1033494334 /nfs/dbraw/zinc/49/43/34/1033494334.db2.gz SYRHZAQERMOIPQ-UONOGXRCSA-N 0 3 322.449 3.688 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001173219662 1033599940 /nfs/dbraw/zinc/59/99/40/1033599940.db2.gz OYXZHTIFEKZVAQ-QWHCGFSZSA-N 0 3 300.358 3.582 20 10 DHCDHN COc1cc(Cl)cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O ZINC000862442028 1033855198 /nfs/dbraw/zinc/85/51/98/1033855198.db2.gz GDIJTWZYQFOJLC-NXEZZACHSA-N 0 3 319.779 3.777 20 10 DHCDHN Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000879649351 1034072312 /nfs/dbraw/zinc/07/23/12/1034072312.db2.gz QTXJJACFGILQQK-HUUCEWRRSA-N 0 3 312.413 3.687 20 10 DHCDHN CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651783 1034075367 /nfs/dbraw/zinc/07/53/67/1034075367.db2.gz KOHBIYANCFZDLT-UONOGXRCSA-N 0 3 312.413 3.632 20 10 DHCDHN Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1C ZINC000879651953 1034075630 /nfs/dbraw/zinc/07/56/30/1034075630.db2.gz QTXJJACFGILQQK-GJZGRUSLSA-N 0 3 312.413 3.687 20 10 DHCDHN Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183382260 1034380550 /nfs/dbraw/zinc/38/05/50/1034380550.db2.gz JBYCQURRSSXYBN-AWEZNQCLSA-N 0 3 309.413 3.791 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000183439872 1034384979 /nfs/dbraw/zinc/38/49/79/1034384979.db2.gz XQJBBTIHEBQUTL-XJKSGUPXSA-N 0 3 313.397 3.965 20 10 DHCDHN COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183501844 1034393571 /nfs/dbraw/zinc/39/35/71/1034393571.db2.gz NFKYPOBIUYLBIK-KBPBESRZSA-N 0 3 315.413 3.691 20 10 DHCDHN COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183597695 1034401559 /nfs/dbraw/zinc/40/15/59/1034401559.db2.gz SJCWTXLBFZQNTB-YOEHRIQHSA-N 0 3 313.397 3.737 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794791260 1034464120 /nfs/dbraw/zinc/46/41/20/1034464120.db2.gz HHNBCWVRMZXRBF-GOSISDBHSA-N 0 3 315.413 3.829 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794800891 1034471895 /nfs/dbraw/zinc/47/18/95/1034471895.db2.gz FEIOYOGAWLTZCY-PKOBYXMFSA-N 0 3 313.441 3.593 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794800888 1034471949 /nfs/dbraw/zinc/47/19/49/1034471949.db2.gz FEIOYOGAWLTZCY-IEBWSBKVSA-N 0 3 313.441 3.593 20 10 DHCDHN CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794807303 1034492582 /nfs/dbraw/zinc/49/25/82/1034492582.db2.gz YDTDDKUAYJDGTB-IBGZPJMESA-N 0 3 310.441 3.757 20 10 DHCDHN CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794807224 1034493392 /nfs/dbraw/zinc/49/33/92/1034493392.db2.gz LBBFEYHFZMRPML-HNNXBMFYSA-N 0 3 322.449 3.656 20 10 DHCDHN CC[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(C)cc1[O-] ZINC000794806701 1034497526 /nfs/dbraw/zinc/49/75/26/1034497526.db2.gz VIFQRDVEAITLPK-INIZCTEOSA-N 0 3 309.413 3.791 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1ccc(C)cc1[O-] ZINC000794813100 1034521288 /nfs/dbraw/zinc/52/12/88/1034521288.db2.gz BXTNLSJNXKDJTC-CABCVRRESA-N 0 3 305.443 3.845 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794816124 1034527877 /nfs/dbraw/zinc/52/78/77/1034527877.db2.gz KQKZIYHCLKEZSX-HKUYNNGSSA-N 0 3 313.441 3.735 20 10 DHCDHN CCCOc1ncccc1CN[C@@H](C)c1ccc(C)cc1O ZINC000185143340 1034530147 /nfs/dbraw/zinc/53/01/47/1034530147.db2.gz WYSWXUSXGFCPHK-AWEZNQCLSA-N 0 3 300.402 3.735 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1[O-] ZINC000185207659 1034536343 /nfs/dbraw/zinc/53/63/43/1034536343.db2.gz DAXSZYJZHNOXBG-KRWDZBQOSA-N 0 3 311.429 3.628 20 10 DHCDHN CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(C)cc1[O-] ZINC000794817744 1034539677 /nfs/dbraw/zinc/53/96/77/1034539677.db2.gz VLFIVGYFOMSOTI-QGZVFWFLSA-N 0 3 323.440 3.871 20 10 DHCDHN Cc1csc(CCCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000185318978 1034540206 /nfs/dbraw/zinc/54/02/06/1034540206.db2.gz ZMXIBGRHVCBKLU-LBPRGKRZSA-N 0 3 308.422 3.970 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(C)cc1[O-] ZINC000794829524 1034547339 /nfs/dbraw/zinc/54/73/39/1034547339.db2.gz TYEKQXRLDQAOJY-FUHWJXTLSA-N 0 3 302.462 3.758 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c([O-])c1 ZINC000185840222 1034579013 /nfs/dbraw/zinc/57/90/13/1034579013.db2.gz SHGSMHZEXFNHBK-IOASZLSFSA-N 0 3 305.443 3.925 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1[O-] ZINC000777438654 1034741137 /nfs/dbraw/zinc/74/11/37/1034741137.db2.gz ADZZDHPLYMIMQJ-INIZCTEOSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1[O-] ZINC000777438654 1034741151 /nfs/dbraw/zinc/74/11/51/1034741151.db2.gz ADZZDHPLYMIMQJ-INIZCTEOSA-N 0 3 309.837 3.745 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001180077784 1035585812 /nfs/dbraw/zinc/58/58/12/1035585812.db2.gz VJAISQNBKQOBMC-QGZVFWFLSA-N 0 3 311.425 3.774 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001180077784 1035585830 /nfs/dbraw/zinc/58/58/30/1035585830.db2.gz VJAISQNBKQOBMC-QGZVFWFLSA-N 0 3 311.425 3.774 20 10 DHCDHN COc1cc(C)c(CN(Cc2ccc(C)o2)C2CC2)c(O)c1 ZINC001180403405 1035663081 /nfs/dbraw/zinc/66/30/81/1035663081.db2.gz KHDXEZCXMCEECF-UHFFFAOYSA-N 0 3 301.386 3.775 20 10 DHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)CO1 ZINC001193838304 1035735977 /nfs/dbraw/zinc/73/59/77/1035735977.db2.gz ITSCSCQECXMJBM-KRWDZBQOSA-N 0 3 303.446 3.954 20 10 DHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)CO1 ZINC001193838304 1035735990 /nfs/dbraw/zinc/73/59/90/1035735990.db2.gz ITSCSCQECXMJBM-KRWDZBQOSA-N 0 3 303.446 3.954 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000226583561 1035975085 /nfs/dbraw/zinc/97/50/85/1035975085.db2.gz OCTWMJUCMKJMSG-AWEZNQCLSA-N 0 3 307.365 3.997 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000775659631 1036273133 /nfs/dbraw/zinc/27/31/33/1036273133.db2.gz ZRXGHSFQODKJAC-AWEZNQCLSA-N 0 3 319.832 3.737 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000775659631 1036273149 /nfs/dbraw/zinc/27/31/49/1036273149.db2.gz ZRXGHSFQODKJAC-AWEZNQCLSA-N 0 3 319.832 3.737 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)c2c1c(F)ccc2[O-] ZINC000774380189 1036306937 /nfs/dbraw/zinc/30/69/37/1036306937.db2.gz RKRJSRSJQHPBNV-XPKDYRNWSA-N 0 3 318.436 3.686 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC001183171438 1036534123 /nfs/dbraw/zinc/53/41/23/1036534123.db2.gz SZIOADOLBWQGKA-UHFFFAOYSA-N 0 3 318.779 3.998 20 10 DHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C3CCOCC3)CC2)c1[O-] ZINC000775725345 1036564583 /nfs/dbraw/zinc/56/45/83/1036564583.db2.gz LKECVGJXWNHWFX-UHFFFAOYSA-N 0 3 323.864 3.993 20 10 DHCDHN C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1ccccc1[O-] ZINC001197003001 1036666468 /nfs/dbraw/zinc/66/64/68/1036666468.db2.gz FNGODIUQZCOXGM-NSHDSACASA-N 0 3 321.323 3.607 20 10 DHCDHN CCOc1ccc(CC[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC001184229289 1036781819 /nfs/dbraw/zinc/78/18/19/1036781819.db2.gz QSROBHKSOUJOJL-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN CCOc1ccc(CC[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC001184229289 1036781834 /nfs/dbraw/zinc/78/18/34/1036781834.db2.gz QSROBHKSOUJOJL-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN CCOc1cccc(CN[C@@H](C)c2cc(F)ccc2OC)c1O ZINC000236955221 1036986484 /nfs/dbraw/zinc/98/64/84/1036986484.db2.gz MACYTOJISFUFGQ-LBPRGKRZSA-N 0 3 319.376 3.789 20 10 DHCDHN Cc1nc2ccccn2c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834680 1036992601 /nfs/dbraw/zinc/99/26/01/1036992601.db2.gz CFSFNCFHHHSFKR-CQSZACIVSA-N 0 3 308.429 3.560 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccco2)c1[O-] ZINC000775915559 1037151993 /nfs/dbraw/zinc/15/19/93/1037151993.db2.gz BTSCJZCSIYHRHU-LLVKDONJSA-N 0 3 324.218 3.777 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014804 1037299098 /nfs/dbraw/zinc/29/90/98/1037299098.db2.gz QNZSIFISLYBBKV-IBGZPJMESA-N 0 3 313.372 3.553 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014804 1037299115 /nfs/dbraw/zinc/29/91/15/1037299115.db2.gz QNZSIFISLYBBKV-IBGZPJMESA-N 0 3 313.372 3.553 20 10 DHCDHN Oc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1O ZINC001201474932 1037739696 /nfs/dbraw/zinc/73/96/96/1037739696.db2.gz NZCFUBTXGKBPGH-SJORKVTESA-N 0 3 322.408 3.831 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC12CCOCC2 ZINC000775156611 1037767231 /nfs/dbraw/zinc/76/72/31/1037767231.db2.gz GAPDGPGBVJXINH-UHFFFAOYSA-N 0 3 309.409 3.814 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC12CCOCC2 ZINC000775156611 1037767249 /nfs/dbraw/zinc/76/72/49/1037767249.db2.gz GAPDGPGBVJXINH-UHFFFAOYSA-N 0 3 309.409 3.814 20 10 DHCDHN CCC[N@H+](CCN(C)Cc1ccccc1)Cc1ccccc1[O-] ZINC001191289472 1038481668 /nfs/dbraw/zinc/48/16/68/1038481668.db2.gz NALJIHFFFXRWFS-UHFFFAOYSA-N 0 3 312.457 3.736 20 10 DHCDHN CCC[N@@H+](CCN(C)Cc1ccccc1)Cc1ccccc1[O-] ZINC001191289472 1038481669 /nfs/dbraw/zinc/48/16/69/1038481669.db2.gz NALJIHFFFXRWFS-UHFFFAOYSA-N 0 3 312.457 3.736 20 10 DHCDHN CC[C@@H]([NH2+]CCCN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775485405 1038553506 /nfs/dbraw/zinc/55/35/06/1038553506.db2.gz TZVYPCJTPJQOIZ-MRXNPFEDSA-N 0 3 310.869 3.962 20 10 DHCDHN CC[C@@H]([NH2+]CCCn1ccnc1C)c1cc(Cl)ccc1[O-] ZINC000775491327 1038569607 /nfs/dbraw/zinc/56/96/07/1038569607.db2.gz IMSJTBFGAGMXQN-OAHLLOKOSA-N 0 3 307.825 3.682 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000775495809 1038574900 /nfs/dbraw/zinc/57/49/00/1038574900.db2.gz AHGPWDBKWFLOIL-UZLBHIALSA-N 0 3 324.468 3.880 20 10 DHCDHN COC[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C(C)C ZINC001192014510 1038579941 /nfs/dbraw/zinc/57/99/41/1038579941.db2.gz SSVLPYVFYMPIMY-QGZVFWFLSA-N 0 3 317.429 3.906 20 10 DHCDHN COC[C@@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C(C)C ZINC001192014510 1038579944 /nfs/dbraw/zinc/57/99/44/1038579944.db2.gz SSVLPYVFYMPIMY-QGZVFWFLSA-N 0 3 317.429 3.906 20 10 DHCDHN CC[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1[O-] ZINC000775509745 1038601895 /nfs/dbraw/zinc/60/18/95/1038601895.db2.gz QCAKWFHBDDPMMJ-LJQANCHMSA-N 0 3 324.468 3.532 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cnc(-c3ccccc3)o2)c1 ZINC001192781329 1038698449 /nfs/dbraw/zinc/69/84/49/1038698449.db2.gz UVYKHYHYPPOCPO-ZDUSSCGKSA-N 0 3 324.380 3.907 20 10 DHCDHN COc1cc(Cl)cc(CN2CCS[C@H](C(C)C)C2)c1O ZINC000761203785 1040577500 /nfs/dbraw/zinc/57/75/00/1040577500.db2.gz MGRPVKLFYPFLLL-AWEZNQCLSA-N 0 3 315.866 3.628 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnccc2C)c1[O-] ZINC000761214673 1040653042 /nfs/dbraw/zinc/65/30/42/1040653042.db2.gz DXBGLWOEVBRXRA-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000228793412 1041177975 /nfs/dbraw/zinc/17/79/75/1041177975.db2.gz OBXKQSABUGMOLL-ZFWWWQNUSA-N 0 3 322.449 3.592 20 10 DHCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000092758999 185338598 /nfs/dbraw/zinc/33/85/98/185338598.db2.gz FNUCSTDRAUHSQS-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1ccc(O)c(CN2CCC(OC3CCCC3)CC2)c1 ZINC000092758999 185338599 /nfs/dbraw/zinc/33/85/99/185338599.db2.gz FNUCSTDRAUHSQS-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)c1[O-] ZINC000092758749 185338825 /nfs/dbraw/zinc/33/88/25/185338825.db2.gz YXAAINGSDQUVNS-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOCc1ccccc1CNCc1cccc(OCC)c1O ZINC000236990577 202111300 /nfs/dbraw/zinc/11/13/00/202111300.db2.gz CINIEATUFRSSBK-UHFFFAOYSA-N 0 3 315.413 3.617 20 10 DHCDHN CCOCc1ccccc1C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000236990577 202111303 /nfs/dbraw/zinc/11/13/03/202111303.db2.gz CINIEATUFRSSBK-UHFFFAOYSA-N 0 3 315.413 3.617 20 10 DHCDHN Cc1nc2c(s1)[C@@H](N(C)Cc1cc(C)ccc1O)CCC2 ZINC000093365151 193240135 /nfs/dbraw/zinc/24/01/35/193240135.db2.gz HEVPZJLPMPYMNR-HNNXBMFYSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C)ccc1[O-])CCC2 ZINC000093365151 193240136 /nfs/dbraw/zinc/24/01/36/193240136.db2.gz HEVPZJLPMPYMNR-HNNXBMFYSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C)ccc1[O-])CCC2 ZINC000093365151 193240138 /nfs/dbraw/zinc/24/01/38/193240138.db2.gz HEVPZJLPMPYMNR-HNNXBMFYSA-N 0 3 302.443 3.975 20 10 DHCDHN CN(C)c1ccc(CNCc2cccc(Br)c2)cc1 ZINC000020145997 182192668 /nfs/dbraw/zinc/19/26/68/182192668.db2.gz YRKFTTRNYBSRON-UHFFFAOYSA-N 0 3 319.246 3.805 20 10 DHCDHN CCOc1cccc(CN[C@@H](CCOC)c2ccc(C)o2)c1O ZINC000272217087 130008542 /nfs/dbraw/zinc/00/85/42/130008542.db2.gz DEKHVNBRARDYBC-HNNXBMFYSA-N 0 3 319.401 3.560 20 10 DHCDHN COCC[C@H](NCc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000272306716 130018871 /nfs/dbraw/zinc/01/88/71/130018871.db2.gz OFOUPCICCXGDFZ-INIZCTEOSA-N 0 3 303.402 3.778 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000272859716 130069851 /nfs/dbraw/zinc/06/98/51/130069851.db2.gz MKEMBTNUNALLJM-BYVOGVQKSA-N 0 3 303.427 3.541 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000272859722 130070125 /nfs/dbraw/zinc/07/01/25/130070125.db2.gz MKEMBTNUNALLJM-OYMPBJRDSA-N 0 3 303.427 3.541 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343775 130109165 /nfs/dbraw/zinc/10/91/65/130109165.db2.gz AFKMKBFYFAKZLO-LSDHHAIUSA-N 0 3 319.445 3.933 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c([O-])c1 ZINC000273365943 130113089 /nfs/dbraw/zinc/11/30/89/130113089.db2.gz FCBVAXDDTKPGDU-XJKSGUPXSA-N 0 3 304.459 3.716 20 10 DHCDHN Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])n1 ZINC000273387962 130115994 /nfs/dbraw/zinc/11/59/94/130115994.db2.gz KANIFIIYRWORIB-MRXNPFEDSA-N 0 3 301.434 3.563 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273386943 130116138 /nfs/dbraw/zinc/11/61/38/130116138.db2.gz JSGHDPPJZQFBAB-CXAGYDPISA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c([O-])c1 ZINC000273391062 130116493 /nfs/dbraw/zinc/11/64/93/130116493.db2.gz KQROHUYWUTWXTN-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273423060 130118989 /nfs/dbraw/zinc/11/89/89/130118989.db2.gz SNFDHOYVPKKCIM-CXAGYDPISA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000273484314 130126205 /nfs/dbraw/zinc/12/62/05/130126205.db2.gz MWHXYMNWVKMHOS-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(O)c1C ZINC000273527034 130132114 /nfs/dbraw/zinc/13/21/14/130132114.db2.gz VMXMTMKTHLTGMW-STQMWFEESA-N 0 3 302.422 3.662 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000273562271 130136217 /nfs/dbraw/zinc/13/62/17/130136217.db2.gz IKEOZXUIHULBFE-UONOGXRCSA-N 0 3 324.424 3.631 20 10 DHCDHN Cc1ccn2cc(CN[C@@H](C)c3ccc(C)c(C)c3O)nc2c1 ZINC000273563866 130137529 /nfs/dbraw/zinc/13/75/29/130137529.db2.gz IYFATOYASLYRIK-HNNXBMFYSA-N 0 3 309.413 3.816 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCCCNc2ccccn2)c([O-])c1C ZINC000273587807 130140948 /nfs/dbraw/zinc/14/09/48/130140948.db2.gz OFDOYICBKVQFPK-MRXNPFEDSA-N 0 3 313.445 3.947 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273608740 130143917 /nfs/dbraw/zinc/14/39/17/130143917.db2.gz VCTKPEGUWMVMMS-KBPBESRZSA-N 0 3 324.424 3.631 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000273623204 130146818 /nfs/dbraw/zinc/14/68/18/130146818.db2.gz ZTENZXPWBITLMY-ZDUSSCGKSA-N 0 3 300.358 3.502 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1ccccc1[O-] ZINC000274865647 130269172 /nfs/dbraw/zinc/26/91/72/130269172.db2.gz DUPOTMJYOHSNNS-QGZVFWFLSA-N 0 3 315.413 3.658 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cc1O ZINC000283691598 131013713 /nfs/dbraw/zinc/01/37/13/131013713.db2.gz AHFUJRYMKGZCHB-CYBMUJFWSA-N 0 3 301.386 3.574 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cc1OC ZINC000284176088 131055776 /nfs/dbraw/zinc/05/57/76/131055776.db2.gz QUNRICQYXPECAF-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN COC[C@H](NCc1cc(C)ccc1O)c1cccc(Cl)c1 ZINC000288686965 131335176 /nfs/dbraw/zinc/33/51/76/131335176.db2.gz XSEPLADUKMNHEU-INIZCTEOSA-N 0 3 305.805 3.831 20 10 DHCDHN C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000296625769 131977462 /nfs/dbraw/zinc/97/74/62/131977462.db2.gz XCKMWSBFYCXCBL-VIFPVBQESA-N 0 3 314.282 3.796 20 10 DHCDHN COCc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1F ZINC000185495978 333209221 /nfs/dbraw/zinc/20/92/21/333209221.db2.gz FCHSZCTYLABHFT-LLVKDONJSA-N 0 3 307.340 3.668 20 10 DHCDHN C[C@@H](CCCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294817339 335127838 /nfs/dbraw/zinc/12/78/38/335127838.db2.gz QEMFVTIPXANOOU-LPHOPBHVSA-N 0 3 313.441 3.817 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)C(F)F ZINC000295048384 335130215 /nfs/dbraw/zinc/13/02/15/335130215.db2.gz NHORGQBVLWRPBT-NVXWUHKLSA-N 0 3 321.367 3.553 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3c2cccc3O)c1[O-] ZINC000295140152 335132579 /nfs/dbraw/zinc/13/25/79/335132579.db2.gz PRTCVBVVBLWNKJ-AWEZNQCLSA-N 0 3 319.788 3.537 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC(O)(c3ccccc3)CC1)CC2 ZINC000296535486 335146203 /nfs/dbraw/zinc/14/62/03/335146203.db2.gz RZGFHWAQLCWFAX-IDYZSHNDSA-N 0 3 323.436 3.800 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000271362397 334021462 /nfs/dbraw/zinc/02/14/62/334021462.db2.gz NPNMQTASPHGNMK-ZBFHGGJFSA-N 0 3 303.427 3.542 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000271362397 334021463 /nfs/dbraw/zinc/02/14/63/334021463.db2.gz NPNMQTASPHGNMK-ZBFHGGJFSA-N 0 3 303.427 3.542 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc2ccccc2c1[O-] ZINC000278983496 334104693 /nfs/dbraw/zinc/10/46/93/334104693.db2.gz PCWJDWKURIMRIA-HUUCEWRRSA-N 0 3 321.424 3.655 20 10 DHCDHN C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(F)ccc1[O-] ZINC000289802828 334167939 /nfs/dbraw/zinc/16/79/39/334167939.db2.gz OBICEHQREPUDFK-PIGZYNQJSA-N 0 3 321.417 3.732 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccc(C)cc1[O-] ZINC000296348967 334232729 /nfs/dbraw/zinc/23/27/29/334232729.db2.gz IEWVOGDGOHYZGW-OAHLLOKOSA-N 0 3 320.820 3.999 20 10 DHCDHN CCn1nc(C)c(CNCc2c(C)c3ccccc3n2C)c1C ZINC000355138044 336496157 /nfs/dbraw/zinc/49/61/57/336496157.db2.gz RBYZDFXOCVZCHA-UHFFFAOYSA-N 0 3 310.445 3.610 20 10 DHCDHN c1cc(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)ccn1 ZINC000371762494 336912346 /nfs/dbraw/zinc/91/23/46/336912346.db2.gz KFQOJGDUCBVJJY-UHFFFAOYSA-N 0 3 316.404 3.973 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccccc1[O-] ZINC000373461060 336961196 /nfs/dbraw/zinc/96/11/96/336961196.db2.gz UFJOVAUYZZABLF-HZPDHXFCSA-N 0 3 313.397 3.965 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000374495187 336990551 /nfs/dbraw/zinc/99/05/51/336990551.db2.gz HOQOXIFDKRGILB-PXNSSMCTSA-N 0 3 311.425 3.876 20 10 DHCDHN Cc1noc(C2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)n1 ZINC000375239596 337006487 /nfs/dbraw/zinc/00/64/87/337006487.db2.gz UZQSNQNNTJRRHU-LRVUVFPRSA-N 0 3 315.417 3.769 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1 ZINC000375531017 337012907 /nfs/dbraw/zinc/01/29/07/337012907.db2.gz YQSVPCQJJPXCPG-YQVWRLOYSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1 ZINC000375531017 337012908 /nfs/dbraw/zinc/01/29/08/337012908.db2.gz YQSVPCQJJPXCPG-YQVWRLOYSA-N 0 3 303.446 3.606 20 10 DHCDHN CC1CCN(c2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375854392 337021582 /nfs/dbraw/zinc/02/15/82/337021582.db2.gz TWOIDZSVRHPJMG-IBGZPJMESA-N 0 3 324.472 3.813 20 10 DHCDHN c1nc(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c[nH]1 ZINC000376492263 337034891 /nfs/dbraw/zinc/03/48/91/337034891.db2.gz PHNVNDCYUNQFJW-UHFFFAOYSA-N 0 3 324.472 3.780 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000377398066 337051880 /nfs/dbraw/zinc/05/18/80/337051880.db2.gz LLDPSXSRFFMCJA-BBATYDOGSA-N 0 3 317.360 3.542 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377631069 337056906 /nfs/dbraw/zinc/05/69/06/337056906.db2.gz SLSNMOQQJSVHPC-UKRRQHHQSA-N 0 3 317.351 3.623 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377631069 337056905 /nfs/dbraw/zinc/05/69/05/337056905.db2.gz SLSNMOQQJSVHPC-UKRRQHHQSA-N 0 3 317.351 3.623 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000377697529 337058897 /nfs/dbraw/zinc/05/88/97/337058897.db2.gz NPQSZUCXRLMYQA-SUMDDJOVSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000377697529 337058898 /nfs/dbraw/zinc/05/88/98/337058898.db2.gz NPQSZUCXRLMYQA-SUMDDJOVSA-N 0 3 319.445 3.503 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835784 337062177 /nfs/dbraw/zinc/06/21/77/337062177.db2.gz WLVGGUYVJYCQJA-JYJNAYRXSA-N 0 3 319.445 3.600 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835784 337062178 /nfs/dbraw/zinc/06/21/78/337062178.db2.gz WLVGGUYVJYCQJA-JYJNAYRXSA-N 0 3 319.445 3.600 20 10 DHCDHN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406249 337071998 /nfs/dbraw/zinc/07/19/98/337071998.db2.gz UPSCRCBYJBDWNV-MGPUTAFESA-N 0 3 309.457 3.590 20 10 DHCDHN COc1cccc(CN2CCS[C@H](c3ccccc3)C2)c1O ZINC000360078041 337085056 /nfs/dbraw/zinc/08/50/56/337085056.db2.gz FVFAENXZIHATOS-KRWDZBQOSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1[O-] ZINC000360078041 337085057 /nfs/dbraw/zinc/08/50/57/337085057.db2.gz FVFAENXZIHATOS-KRWDZBQOSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1[O-] ZINC000360078041 337085058 /nfs/dbraw/zinc/08/50/58/337085058.db2.gz FVFAENXZIHATOS-KRWDZBQOSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1ccc(N2CCC(NCc3ccccc3F)CC2)cc1 ZINC000102432734 337386221 /nfs/dbraw/zinc/38/62/21/337386221.db2.gz AJCDAMZLJCEYIJ-UHFFFAOYSA-N 0 3 314.404 3.593 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000121139244 337396301 /nfs/dbraw/zinc/39/63/01/337396301.db2.gz PQPBYNGWYNGIFE-QGZVFWFLSA-N 0 3 320.392 3.594 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000121139244 337396302 /nfs/dbraw/zinc/39/63/02/337396302.db2.gz PQPBYNGWYNGIFE-QGZVFWFLSA-N 0 3 320.392 3.594 20 10 DHCDHN CCN(CC)c1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000092618270 337907061 /nfs/dbraw/zinc/90/70/61/337907061.db2.gz UISRDVGUUJRAFK-UHFFFAOYSA-N 0 3 312.461 3.566 20 10 DHCDHN COC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000554377903 341452576 /nfs/dbraw/zinc/45/25/76/341452576.db2.gz WPVIUXKPGLDWNW-GOSISDBHSA-N 0 3 308.425 3.964 20 10 DHCDHN CCCOc1ccc(C[NH2+]Cc2cc(OC)ccc2[O-])c(C)c1 ZINC000187981039 520368748 /nfs/dbraw/zinc/36/87/48/520368748.db2.gz XBCQZUNUZGRGLV-UHFFFAOYSA-N 0 3 315.413 3.788 20 10 DHCDHN CCCOc1ccc(CNCc2cc(OC)ccc2O)c(C)c1 ZINC000187981039 520368756 /nfs/dbraw/zinc/36/87/56/520368756.db2.gz XBCQZUNUZGRGLV-UHFFFAOYSA-N 0 3 315.413 3.788 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000266269859 522637388 /nfs/dbraw/zinc/63/73/88/522637388.db2.gz BMYIFPDMCSPUGO-MAUKXSAKSA-N 0 3 321.367 3.581 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1[O-] ZINC000156789987 522655635 /nfs/dbraw/zinc/65/56/35/522655635.db2.gz PVCSRPRXHNXYAP-INIZCTEOSA-N 0 3 313.397 3.794 20 10 DHCDHN COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2[O-])c1 ZINC000124240319 524178108 /nfs/dbraw/zinc/17/81/08/524178108.db2.gz CZVZOAAQHRPAOV-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1cccc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2[O-])c1 ZINC000124240319 524178110 /nfs/dbraw/zinc/17/81/10/524178110.db2.gz CZVZOAAQHRPAOV-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354890 525365336 /nfs/dbraw/zinc/36/53/36/525365336.db2.gz FZRQREJQATUFLP-USJZOSNVSA-N 0 3 301.430 3.699 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])c1ccc(OC)cc1 ZINC000122034549 535805654 /nfs/dbraw/zinc/80/56/54/535805654.db2.gz HRNIPAJBRILNFC-QGZVFWFLSA-N 0 3 301.386 3.650 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccnn1C1CCC1 ZINC000925082053 1013504315 /nfs/dbraw/zinc/50/43/15/1013504315.db2.gz UDXCDXRXNWGFLA-OAHLLOKOSA-N 0 3 312.461 3.833 20 10 DHCDHN COc1cc(C)cc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)c1O ZINC000894881917 1013584895 /nfs/dbraw/zinc/58/48/95/1013584895.db2.gz SRBHZKYQFOBRKD-CZUORRHYSA-N 0 3 313.397 3.711 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1[O-] ZINC000155510133 1013886137 /nfs/dbraw/zinc/88/61/37/1013886137.db2.gz QUUFUQHKENKLBK-KRWDZBQOSA-N 0 3 312.413 3.817 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cnccc2C)cc1F ZINC000280811353 1014228184 /nfs/dbraw/zinc/22/81/84/1014228184.db2.gz IBWKBNRKUINRQD-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN COc1cc(Cl)cc(CN2CCC(C(F)F)CC2)c1O ZINC000307882995 1014630175 /nfs/dbraw/zinc/63/01/75/1014630175.db2.gz VNOPWLPCACTUKA-UHFFFAOYSA-N 0 3 305.752 3.531 20 10 DHCDHN CN(C)c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1F ZINC000281292965 1016451924 /nfs/dbraw/zinc/45/19/24/1016451924.db2.gz QQIXWSPTBFIUJU-SFHVURJKSA-N 0 3 317.383 3.667 20 10 DHCDHN COc1ccc(OCCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185127237 1016597821 /nfs/dbraw/zinc/59/78/21/1016597821.db2.gz PLFMEKKCVBSQLJ-CYBMUJFWSA-N 0 3 319.376 3.660 20 10 DHCDHN COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185574497 1017025544 /nfs/dbraw/zinc/02/55/44/1017025544.db2.gz BRVVUOCVTYMBIN-HUUCEWRRSA-N 0 3 315.413 3.827 20 10 DHCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185580310 1017029102 /nfs/dbraw/zinc/02/91/02/1017029102.db2.gz MIKCYWFQCVSOAJ-GJZGRUSLSA-N 0 3 315.413 3.827 20 10 DHCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185580456 1017029668 /nfs/dbraw/zinc/02/96/68/1017029668.db2.gz WMVXXNQKYTXGLQ-QWHCGFSZSA-N 0 3 319.376 3.658 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H](CO)c2sccc2C)cc1 ZINC000773043534 1032536622 /nfs/dbraw/zinc/53/66/22/1032536622.db2.gz CPXUYKJDWYZLQP-WMLDXEAASA-N 0 3 318.486 3.897 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108378 1032562178 /nfs/dbraw/zinc/56/21/78/1032562178.db2.gz XAACTEMVYBGURO-KKSFZXQISA-N 0 3 323.484 3.980 20 10 DHCDHN CCc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000160185663 1011952853 /nfs/dbraw/zinc/95/28/53/1011952853.db2.gz MTTSVJHTFHKSMQ-KRWDZBQOSA-N 0 3 315.413 3.729 20 10 DHCDHN C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1cc(F)ccc1[O-] ZINC000186033960 1017649422 /nfs/dbraw/zinc/64/94/22/1017649422.db2.gz SMIXGAVMUSVHFI-LLVKDONJSA-N 0 3 320.433 3.760 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915378 1032727416 /nfs/dbraw/zinc/72/74/16/1032727416.db2.gz KQGOQSFDCSWOTQ-OSAQELSMSA-N 0 3 317.351 3.933 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000926915831 1032732646 /nfs/dbraw/zinc/73/26/46/1032732646.db2.gz MAWFGJDFIHPCEB-SLEUVZQESA-N 0 3 317.351 3.851 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)[nH]n1 ZINC000766085976 1018222860 /nfs/dbraw/zinc/22/28/60/1018222860.db2.gz XIKDGHLHJWPSFL-INIZCTEOSA-N 0 3 312.461 3.949 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)n[nH]1 ZINC000766085976 1018222870 /nfs/dbraw/zinc/22/28/70/1018222870.db2.gz XIKDGHLHJWPSFL-INIZCTEOSA-N 0 3 312.461 3.949 20 10 DHCDHN Cc1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000741806240 1018274094 /nfs/dbraw/zinc/27/40/94/1018274094.db2.gz QKDKHMHLMMOYJD-UHFFFAOYSA-N 0 3 315.486 3.991 20 10 DHCDHN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000765946209 1018953677 /nfs/dbraw/zinc/95/36/77/1018953677.db2.gz ONTIVJWSPCMQNG-GJZGRUSLSA-N 0 3 300.450 3.942 20 10 DHCDHN CCC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921545946 1018978398 /nfs/dbraw/zinc/97/83/98/1018978398.db2.gz BJHHQHKNCLNSSD-UHFFFAOYSA-N 0 3 324.424 3.650 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1N(C)C ZINC000765609554 1018999197 /nfs/dbraw/zinc/99/91/97/1018999197.db2.gz QDKHFVAATRDIMQ-ZDUSSCGKSA-N 0 3 314.404 3.677 20 10 DHCDHN C[C@H](NCc1cnn(CC2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000922015688 1019313151 /nfs/dbraw/zinc/31/31/51/1019313151.db2.gz RXURIWJDBQNWCZ-HNNXBMFYSA-N 0 3 312.461 3.600 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858299215 1032836613 /nfs/dbraw/zinc/83/66/13/1032836613.db2.gz RHBZBMOSLMXEAW-AWEZNQCLSA-N 0 3 320.795 3.553 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000186302844 1020222130 /nfs/dbraw/zinc/22/21/30/1020222130.db2.gz YBRDJSNQUDFFKH-NLWGTHIKSA-N 0 3 310.441 3.878 20 10 DHCDHN CCCN(CCC)c1ccc(CNCc2cnn(CC)c2)cc1 ZINC000735675986 1020762781 /nfs/dbraw/zinc/76/27/81/1020762781.db2.gz CJGPZLMOZLZRLI-UHFFFAOYSA-N 0 3 314.477 3.819 20 10 DHCDHN CCc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[nH]n1 ZINC000738431772 1020875925 /nfs/dbraw/zinc/87/59/25/1020875925.db2.gz XSVPVMVXXKKDRW-UHFFFAOYSA-N 0 3 307.397 3.635 20 10 DHCDHN C[C@H](NCc1ccc[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000858562051 1032946654 /nfs/dbraw/zinc/94/66/54/1032946654.db2.gz BGIBLHSZTPKZKS-HNNXBMFYSA-N 0 3 311.429 3.628 20 10 DHCDHN [O-]c1ccccc1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000742372904 1021113418 /nfs/dbraw/zinc/11/34/18/1021113418.db2.gz KYGUUXHJNFKSSB-UHFFFAOYSA-N 0 3 317.816 3.841 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1C ZINC000742375628 1021114503 /nfs/dbraw/zinc/11/45/03/1021114503.db2.gz SRFYMWWKYLFNRA-BEFAXECRSA-N 0 3 310.441 3.632 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cccnc2C)cc1F ZINC000109016083 1021385744 /nfs/dbraw/zinc/38/57/44/1021385744.db2.gz UXUDDWRTUHGIBD-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN COc1cc(CNCc2cccc(O)c2)c(O)c(C(C)(C)C)c1 ZINC000850113117 1021421354 /nfs/dbraw/zinc/42/13/54/1021421354.db2.gz TZHFRPQUUAYACE-UHFFFAOYSA-N 0 3 315.413 3.694 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC(F)(F)C2)c1[O-] ZINC000695087648 1021512715 /nfs/dbraw/zinc/51/27/15/1021512715.db2.gz KGFOWIYJLUTVGT-NSHDSACASA-N 0 3 305.752 3.722 20 10 DHCDHN CC(C)[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000850414396 1021518929 /nfs/dbraw/zinc/51/89/29/1021518929.db2.gz ZRGLPYRRBZRZHR-ROUUACIJSA-N 0 3 319.832 3.893 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000850495272 1021563063 /nfs/dbraw/zinc/56/30/63/1021563063.db2.gz ZHXVIFLDOQIZOM-BZPMIXESSA-N 0 3 306.425 3.542 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000850505062 1021566436 /nfs/dbraw/zinc/56/64/36/1021566436.db2.gz LZLFXKWLFSIIEE-ABAIWWIYSA-N 0 3 317.351 3.933 20 10 DHCDHN C[C@@H](NCc1cccc(OC2CC2)c1F)c1ccccc1O ZINC000850521030 1021575631 /nfs/dbraw/zinc/57/56/31/1021575631.db2.gz MTODXQAIPPSRLA-GFCCVEGCSA-N 0 3 301.361 3.923 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1[O-] ZINC000850521030 1021575642 /nfs/dbraw/zinc/57/56/42/1021575642.db2.gz MTODXQAIPPSRLA-GFCCVEGCSA-N 0 3 301.361 3.923 20 10 DHCDHN CC[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccccc1[O-] ZINC000850536846 1021591156 /nfs/dbraw/zinc/59/11/56/1021591156.db2.gz KHWJOQQWZRXLBN-ZBFHGGJFSA-N 0 3 301.361 3.576 20 10 DHCDHN CC[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(C)cc1[O-] ZINC000850565975 1021608846 /nfs/dbraw/zinc/60/88/46/1021608846.db2.gz ITMFOTRGUZKPCO-AWEZNQCLSA-N 0 3 313.388 3.682 20 10 DHCDHN CCOC(=O)N[C@@H](C[NH2+][C@@H](CC)c1ccccc1[O-])CC(C)C ZINC000155021619 1021819568 /nfs/dbraw/zinc/81/95/68/1021819568.db2.gz OEDCIXGOROQAOA-ZBFHGGJFSA-N 0 3 322.449 3.594 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000155052257 1021848603 /nfs/dbraw/zinc/84/86/03/1021848603.db2.gz NQMFXWBLSQSWRB-LJQANCHMSA-N 0 3 321.424 3.861 20 10 DHCDHN CCOCc1cc(CN[C@H](C)CC(F)(F)F)ccc1OC ZINC000766480480 1022129671 /nfs/dbraw/zinc/12/96/71/1022129671.db2.gz WFQAKQCZDSBSAM-LLVKDONJSA-N 0 3 305.340 3.662 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccccc1[O-] ZINC000183428277 1022143105 /nfs/dbraw/zinc/14/31/05/1022143105.db2.gz KPYWZRIXGJFLGM-AWEZNQCLSA-N 0 3 312.413 3.959 20 10 DHCDHN CCC[N@H+](Cc1ccc(OC)c(F)c1)Cc1ccccc1[O-] ZINC000110737193 1022150070 /nfs/dbraw/zinc/15/00/70/1022150070.db2.gz MRNBNJCLJSMVAE-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OC)c(F)c1)Cc1ccccc1[O-] ZINC000110737193 1022150077 /nfs/dbraw/zinc/15/00/77/1022150077.db2.gz MRNBNJCLJSMVAE-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183556530 1022189433 /nfs/dbraw/zinc/18/94/33/1022189433.db2.gz QUBLQUXQRGDIBP-BQFCYCMXSA-N 0 3 310.441 3.706 20 10 DHCDHN COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183633007 1022218141 /nfs/dbraw/zinc/21/81/41/1022218141.db2.gz VEEMCNKRFAMQFF-CABCVRRESA-N 0 3 315.413 3.767 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239123 1022240371 /nfs/dbraw/zinc/24/03/71/1022240371.db2.gz AKDOHSUEZDQAOY-DZGCQCFKSA-N 0 3 322.880 3.818 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241902 1022242814 /nfs/dbraw/zinc/24/28/14/1022242814.db2.gz YSFTWMVCEBYGTK-CRAIPNDOSA-N 0 3 320.452 3.694 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1[O-] ZINC000853240157 1022243111 /nfs/dbraw/zinc/24/31/11/1022243111.db2.gz GZRAWZCFXPWAGU-CJNGLKHVSA-N 0 3 319.445 3.801 20 10 DHCDHN Cc1cc(C)n(-c2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc2)n1 ZINC000111236423 1022253050 /nfs/dbraw/zinc/25/30/50/1022253050.db2.gz DNOKMMILEAKFFO-UHFFFAOYSA-N 0 3 321.424 3.827 20 10 DHCDHN Cc1cc(C)n(-c2ccc(C[N@H+](C)Cc3ccccc3[O-])cc2)n1 ZINC000111236423 1022253056 /nfs/dbraw/zinc/25/30/56/1022253056.db2.gz DNOKMMILEAKFFO-UHFFFAOYSA-N 0 3 321.424 3.827 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000183671868 1022262569 /nfs/dbraw/zinc/26/25/69/1022262569.db2.gz APCCHODENFUAJY-LSDHHAIUSA-N 0 3 305.418 3.509 20 10 DHCDHN Oc1cc(OCc2ccccc2)ccc1CNCc1ccco1 ZINC000183132863 1022329339 /nfs/dbraw/zinc/32/93/39/1022329339.db2.gz JQGNXBXHCBMCEK-UHFFFAOYSA-N 0 3 309.365 3.854 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000179562110 1022470863 /nfs/dbraw/zinc/47/08/63/1022470863.db2.gz BATRLOLZBSVKLR-UHFFFAOYSA-N 0 3 311.425 3.616 20 10 DHCDHN COc1ccc(O)c(CN(Cc2cccc(F)c2)C2CC2)c1 ZINC000179679325 1022507265 /nfs/dbraw/zinc/50/72/65/1022507265.db2.gz LEWOPAPJNAZWCF-UHFFFAOYSA-N 0 3 301.361 3.705 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccccc2OC)c1 ZINC000273303806 1022534341 /nfs/dbraw/zinc/53/43/41/1022534341.db2.gz CEMSWKBNCDNJKD-OLZOCXBDSA-N 0 3 301.386 3.821 20 10 DHCDHN Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000179876094 1022563343 /nfs/dbraw/zinc/56/33/43/1022563343.db2.gz HOJJSZJEXGOEOE-OAHLLOKOSA-N 0 3 312.413 3.607 20 10 DHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])Cc1ccccc1N1CCCC1 ZINC000179890670 1022565978 /nfs/dbraw/zinc/56/59/78/1022565978.db2.gz WDWXLUNRACDMMP-UHFFFAOYSA-N 0 3 314.404 3.764 20 10 DHCDHN C[N@H+](Cc1cc(F)ccc1[O-])Cc1ccccc1N1CCCC1 ZINC000179890670 1022565983 /nfs/dbraw/zinc/56/59/83/1022565983.db2.gz WDWXLUNRACDMMP-UHFFFAOYSA-N 0 3 314.404 3.764 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000697824515 1033065053 /nfs/dbraw/zinc/06/50/53/1033065053.db2.gz PIUPDKMSWWJUOJ-DZGCQCFKSA-N 0 3 322.449 3.594 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccccc1[O-] ZINC000179887597 1022572852 /nfs/dbraw/zinc/57/28/52/1022572852.db2.gz DEUIVSZLLFOGME-JLTOFOAXSA-N 0 3 307.393 3.930 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000179938075 1022584377 /nfs/dbraw/zinc/58/43/77/1022584377.db2.gz HXANKWIHIADPON-UHFFFAOYSA-N 0 3 301.361 3.575 20 10 DHCDHN Cc1ccc(O)c(CNCc2ccccc2OC(F)(F)F)c1 ZINC000113316585 1022626373 /nfs/dbraw/zinc/62/63/73/1022626373.db2.gz SDKMJKNJUJBEQN-UHFFFAOYSA-N 0 3 311.303 3.889 20 10 DHCDHN COc1cccc(CN(C)Cc2ccc(N(C)C)c(F)c2)c1 ZINC000768162342 1022907195 /nfs/dbraw/zinc/90/71/95/1022907195.db2.gz BSSANNQAIYCKQF-UHFFFAOYSA-N 0 3 302.393 3.532 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2c1c(F)ccc2[O-] ZINC000768239274 1022925634 /nfs/dbraw/zinc/92/56/34/1022925634.db2.gz IKXATOWMMCLITE-IDCBMKOBSA-N 0 3 317.404 3.627 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000768235876 1022930190 /nfs/dbraw/zinc/93/01/90/1022930190.db2.gz AJWHWLJIRUSXSA-CQSZACIVSA-N 0 3 315.413 3.993 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000768235876 1022930198 /nfs/dbraw/zinc/93/01/98/1022930198.db2.gz AJWHWLJIRUSXSA-CQSZACIVSA-N 0 3 315.413 3.993 20 10 DHCDHN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769319692 1023121669 /nfs/dbraw/zinc/12/16/69/1023121669.db2.gz WZCAVIYXAQBULU-INIZCTEOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769319692 1023121671 /nfs/dbraw/zinc/12/16/71/1023121671.db2.gz WZCAVIYXAQBULU-INIZCTEOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000769497793 1023166369 /nfs/dbraw/zinc/16/63/69/1023166369.db2.gz BHULPBXEVHQXMB-NVXWUHKLSA-N 0 3 311.425 3.854 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000769497793 1023166375 /nfs/dbraw/zinc/16/63/75/1023166375.db2.gz BHULPBXEVHQXMB-NVXWUHKLSA-N 0 3 311.425 3.854 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C23CCC3)c([O-])c1 ZINC000770352452 1023304249 /nfs/dbraw/zinc/30/42/49/1023304249.db2.gz NWRKERXYBLFSIP-MSOLQXFVSA-N 0 3 319.445 3.570 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H]2C[C@H](OCC)C23CCC3)c([O-])c1 ZINC000770352452 1023304253 /nfs/dbraw/zinc/30/42/53/1023304253.db2.gz NWRKERXYBLFSIP-MSOLQXFVSA-N 0 3 319.445 3.570 20 10 DHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000876804188 1033147694 /nfs/dbraw/zinc/14/76/94/1033147694.db2.gz NJHKSAXROSNMEX-NVXWUHKLSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000876804188 1033147697 /nfs/dbraw/zinc/14/76/97/1033147697.db2.gz NJHKSAXROSNMEX-NVXWUHKLSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000876805391 1033148270 /nfs/dbraw/zinc/14/82/70/1033148270.db2.gz ZQPSIWDTOJEIQX-YOEHRIQHSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000876805391 1033148275 /nfs/dbraw/zinc/14/82/75/1033148275.db2.gz ZQPSIWDTOJEIQX-YOEHRIQHSA-N 0 3 317.454 3.850 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCSC1 ZINC000787041878 1023752514 /nfs/dbraw/zinc/75/25/14/1023752514.db2.gz LXCSYTMJAFDXKY-AWEZNQCLSA-N 0 3 303.427 3.741 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCSC1 ZINC000787041878 1023752517 /nfs/dbraw/zinc/75/25/17/1023752517.db2.gz LXCSYTMJAFDXKY-AWEZNQCLSA-N 0 3 303.427 3.741 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788260193 1023867598 /nfs/dbraw/zinc/86/75/98/1023867598.db2.gz VQXCLLMQLNXBRJ-GOEBONIOSA-N 0 3 301.434 3.525 20 10 DHCDHN Cc1cc(C)c([C@H](C)NCc2nn(C)c3ccccc23)c(O)c1 ZINC000788752361 1023929364 /nfs/dbraw/zinc/92/93/64/1023929364.db2.gz VMRKNYMGRRUNLR-AWEZNQCLSA-N 0 3 309.413 3.747 20 10 DHCDHN CN(C)c1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000788831037 1023941647 /nfs/dbraw/zinc/94/16/47/1023941647.db2.gz HLWCDRACBCHBRU-LJQANCHMSA-N 0 3 312.457 3.602 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c([O-])c1 ZINC000876915873 1033184825 /nfs/dbraw/zinc/18/48/25/1033184825.db2.gz ZONIZNAKVPQNML-AWEZNQCLSA-N 0 3 324.424 3.900 20 10 DHCDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789568140 1024116833 /nfs/dbraw/zinc/11/68/33/1024116833.db2.gz XAHHUWFNKWFIMH-FQEVSTJZSA-N 0 3 311.425 3.796 20 10 DHCDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789568140 1024116840 /nfs/dbraw/zinc/11/68/40/1024116840.db2.gz XAHHUWFNKWFIMH-FQEVSTJZSA-N 0 3 311.425 3.796 20 10 DHCDHN CC(C)=CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000790698050 1024357058 /nfs/dbraw/zinc/35/70/58/1024357058.db2.gz MSQZKZOTGRSLGY-AWEZNQCLSA-N 0 3 308.853 3.793 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c([O-])c1 ZINC000790995115 1024415438 /nfs/dbraw/zinc/41/54/38/1024415438.db2.gz MGXJVERHJKJACO-QGZVFWFLSA-N 0 3 319.445 3.762 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000132802919 1024508293 /nfs/dbraw/zinc/50/82/93/1024508293.db2.gz MUYCQLVRGSSQJJ-AEFFLSMTSA-N 0 3 310.441 3.707 20 10 DHCDHN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000271599145 1024548892 /nfs/dbraw/zinc/54/88/92/1024548892.db2.gz ZKZBJDZLZCVTCV-CZUORRHYSA-N 0 3 315.465 3.796 20 10 DHCDHN Cc1c(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cccc1[N+](=O)[O-] ZINC000318230134 1024703289 /nfs/dbraw/zinc/70/32/89/1024703289.db2.gz HKIKZPBANBJRIH-NSHDSACASA-N 0 3 304.321 3.599 20 10 DHCDHN CN(C)c1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000792932891 1024847003 /nfs/dbraw/zinc/84/70/03/1024847003.db2.gz FPVTYVOVCKTTGP-UHFFFAOYSA-N 0 3 300.368 3.917 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000040906229 1024858421 /nfs/dbraw/zinc/85/84/21/1024858421.db2.gz IKGTYGRBFYRKNR-GFCCVEGCSA-N 0 3 305.805 3.775 20 10 DHCDHN CN(C)c1ccc(CNCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000792995071 1024860819 /nfs/dbraw/zinc/86/08/19/1024860819.db2.gz IZUNVMYRTKBJDA-UHFFFAOYSA-N 0 3 314.273 3.813 20 10 DHCDHN C[C@@H](NCc1cc(O)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000893684597 1024943744 /nfs/dbraw/zinc/94/37/44/1024943744.db2.gz RLHTYYODRLNCGC-GFCCVEGCSA-N 0 3 304.821 3.962 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793267202 1024966749 /nfs/dbraw/zinc/96/67/49/1024966749.db2.gz AQBYLKZNWCVSSD-HOCLYGCPSA-N 0 3 315.388 3.966 20 10 DHCDHN CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1[O-] ZINC001170451573 1025298954 /nfs/dbraw/zinc/29/89/54/1025298954.db2.gz ZFBQKWNYIHKMMT-MRXNPFEDSA-N 0 3 313.397 3.574 20 10 DHCDHN CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccccc1[O-] ZINC001170451573 1025298965 /nfs/dbraw/zinc/29/89/65/1025298965.db2.gz ZFBQKWNYIHKMMT-MRXNPFEDSA-N 0 3 313.397 3.574 20 10 DHCDHN COc1cccc(CNC2(c3ccc(F)cc3F)CCC2)c1O ZINC000136134513 1025386923 /nfs/dbraw/zinc/38/69/23/1025386923.db2.gz GHUQREOOQJBSLV-UHFFFAOYSA-N 0 3 319.351 3.848 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(C)cc1[O-] ZINC000279932845 1025512710 /nfs/dbraw/zinc/51/27/10/1025512710.db2.gz ATDAEOZBTIOPHZ-RHSMWYFYSA-N 0 3 305.443 3.711 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806135470 1025782617 /nfs/dbraw/zinc/78/26/17/1025782617.db2.gz KPBIVDRIWCJWBI-CQSZACIVSA-N 0 3 319.811 3.717 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141071 1025799400 /nfs/dbraw/zinc/79/94/00/1025799400.db2.gz FOZIFMJCQJCUJV-XEZPLFJOSA-N 0 3 310.869 3.959 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000806179385 1025836518 /nfs/dbraw/zinc/83/65/18/1025836518.db2.gz CEXKOLXHFUZDFQ-YPMHNXCESA-N 0 3 323.795 3.611 20 10 DHCDHN CCOc1ccc(CNCc2cccc(Cl)c2OC)c(O)c1 ZINC000897484032 1025908860 /nfs/dbraw/zinc/90/88/60/1025908860.db2.gz ZKPAVOVUXLYRHD-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2OC)c([O-])c1 ZINC000897484032 1025908874 /nfs/dbraw/zinc/90/88/74/1025908874.db2.gz ZKPAVOVUXLYRHD-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000289743010 1026154768 /nfs/dbraw/zinc/15/47/68/1026154768.db2.gz KRBJCHDUIOWOSB-CMKODMSKSA-N 0 3 311.425 3.599 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1[O-] ZINC000279966063 1026284326 /nfs/dbraw/zinc/28/43/26/1026284326.db2.gz CPEUXQTYFXGRDB-INIZCTEOSA-N 0 3 300.358 3.850 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c1[O-] ZINC000808672158 1026352969 /nfs/dbraw/zinc/35/29/69/1026352969.db2.gz FJYRLOXRLLNOJE-WBMJQRKESA-N 0 3 305.805 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1[O-] ZINC000808675363 1026353214 /nfs/dbraw/zinc/35/32/14/1026353214.db2.gz DQORIXCLMYVXIP-ABAIWWIYSA-N 0 3 319.836 3.816 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000808674161 1026354419 /nfs/dbraw/zinc/35/44/19/1026354419.db2.gz OCBGGEGGHJCLQH-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808672497 1026354782 /nfs/dbraw/zinc/35/47/82/1026354782.db2.gz PJKRJSQHQFPWER-CQSZACIVSA-N 0 3 321.852 3.908 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCn2ccnc2)c1[O-] ZINC000808679114 1026356103 /nfs/dbraw/zinc/35/61/03/1026356103.db2.gz CUKUHSOLJQZZSY-CYBMUJFWSA-N 0 3 307.825 3.682 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccncc2C)c1[O-] ZINC000808708049 1026358583 /nfs/dbraw/zinc/35/85/83/1026358583.db2.gz FWGZHLBWYOLROE-ZDUSSCGKSA-N 0 3 304.821 3.951 20 10 DHCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808709437 1026359640 /nfs/dbraw/zinc/35/96/40/1026359640.db2.gz BDSJCDCJYVHRRH-GZMMTYOYSA-N 0 3 311.731 3.582 20 10 DHCDHN CC[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccccc1[O-] ZINC000808728148 1026371752 /nfs/dbraw/zinc/37/17/52/1026371752.db2.gz CQKUONFIWOILON-ZBFHGGJFSA-N 0 3 301.361 3.576 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1[O-] ZINC000808701421 1026375346 /nfs/dbraw/zinc/37/53/46/1026375346.db2.gz XIZNARYKZUTDOS-DZGCQCFKSA-N 0 3 319.832 3.781 20 10 DHCDHN CCN(CC)c1ccc(CN2CC=C(c3ccnn3C)CC2)cc1 ZINC000809690226 1026585383 /nfs/dbraw/zinc/58/53/83/1026585383.db2.gz KUMXBJOLHFKAHV-UHFFFAOYSA-N 0 3 324.472 3.556 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000809701177 1026588950 /nfs/dbraw/zinc/58/89/50/1026588950.db2.gz VESDYJMAEZVSNW-BBRMVZONSA-N 0 3 311.853 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000809701177 1026588959 /nfs/dbraw/zinc/58/89/59/1026588959.db2.gz VESDYJMAEZVSNW-BBRMVZONSA-N 0 3 311.853 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000809701181 1026589472 /nfs/dbraw/zinc/58/94/72/1026589472.db2.gz VESDYJMAEZVSNW-XJKSGUPXSA-N 0 3 311.853 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000809701181 1026589488 /nfs/dbraw/zinc/58/94/88/1026589488.db2.gz VESDYJMAEZVSNW-XJKSGUPXSA-N 0 3 311.853 3.870 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280099247 1026593415 /nfs/dbraw/zinc/59/34/15/1026593415.db2.gz MYTMSLWYHQGEJK-PKOBYXMFSA-N 0 3 313.441 3.908 20 10 DHCDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000809764950 1026621088 /nfs/dbraw/zinc/62/10/88/1026621088.db2.gz JUHLDRNRJNSKKS-QGZVFWFLSA-N 0 3 301.409 3.870 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280272611 1026624210 /nfs/dbraw/zinc/62/42/10/1026624210.db2.gz YAMXTIQYGNITLI-DGCLKSJQSA-N 0 3 305.340 3.709 20 10 DHCDHN COc1ccc2c(c1)C1(CC1)CN(Cc1ccc(N(C)C)cc1)C2 ZINC000810097869 1026677766 /nfs/dbraw/zinc/67/77/66/1026677766.db2.gz NFICAXSVHOAERD-UHFFFAOYSA-N 0 3 322.452 3.809 20 10 DHCDHN CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000810245322 1026729322 /nfs/dbraw/zinc/72/93/22/1026729322.db2.gz YXUIZZPSDBOWNU-GZBFAFLISA-N 0 3 308.441 3.790 20 10 DHCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000810257217 1026731541 /nfs/dbraw/zinc/73/15/41/1026731541.db2.gz NMAAIOGYIREYSN-MXWKQRLJSA-N 0 3 316.239 3.537 20 10 DHCDHN CSC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCC1 ZINC000811453273 1027004311 /nfs/dbraw/zinc/00/43/11/1027004311.db2.gz IHGRWCMPPHQEIB-MRXNPFEDSA-N 0 3 321.486 3.659 20 10 DHCDHN CSC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCC1 ZINC000811453273 1027004316 /nfs/dbraw/zinc/00/43/16/1027004316.db2.gz IHGRWCMPPHQEIB-MRXNPFEDSA-N 0 3 321.486 3.659 20 10 DHCDHN COc1cc(Cl)cc(CN2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000811513523 1027029602 /nfs/dbraw/zinc/02/96/02/1027029602.db2.gz JVEGUEIANKNWOH-MRXNPFEDSA-N 0 3 307.821 3.819 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1[O-] ZINC000811513523 1027029609 /nfs/dbraw/zinc/02/96/09/1027029609.db2.gz JVEGUEIANKNWOH-MRXNPFEDSA-N 0 3 307.821 3.819 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1[O-] ZINC000811513523 1027029616 /nfs/dbraw/zinc/02/96/16/1027029616.db2.gz JVEGUEIANKNWOH-MRXNPFEDSA-N 0 3 307.821 3.819 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000812716111 1027374298 /nfs/dbraw/zinc/37/42/98/1027374298.db2.gz HTUYNXMMWNWUFN-HXUWFJFHSA-N 0 3 310.441 3.934 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CC(C2CC2)C1 ZINC000812775042 1027401086 /nfs/dbraw/zinc/40/10/86/1027401086.db2.gz CZAGEWXQNWTODL-UHFFFAOYSA-N 0 3 309.409 3.813 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1OC ZINC000295773926 1027423878 /nfs/dbraw/zinc/42/38/78/1027423878.db2.gz AMFNPJODLAICPC-OAHLLOKOSA-N 0 3 313.397 3.577 20 10 DHCDHN CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296567205 1027671999 /nfs/dbraw/zinc/67/19/99/1027671999.db2.gz UWEJKALJGWQURT-NUJGCVRESA-N 0 3 303.446 3.953 20 10 DHCDHN C[C@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985418 1027717523 /nfs/dbraw/zinc/71/75/23/1027717523.db2.gz SYRAMOQQLSUAKX-HOTGVXAUSA-N 0 3 315.413 3.803 20 10 DHCDHN C[C@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985418 1027717546 /nfs/dbraw/zinc/71/75/46/1027717546.db2.gz SYRAMOQQLSUAKX-HOTGVXAUSA-N 0 3 315.413 3.803 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000779009036 1027770904 /nfs/dbraw/zinc/77/09/04/1027770904.db2.gz IILSVSOGSCLVFV-OAHLLOKOSA-N 0 3 315.344 3.597 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000779009036 1027770919 /nfs/dbraw/zinc/77/09/19/1027770919.db2.gz IILSVSOGSCLVFV-OAHLLOKOSA-N 0 3 315.344 3.597 20 10 DHCDHN COc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1Cl ZINC000297101076 1027796683 /nfs/dbraw/zinc/79/66/83/1027796683.db2.gz XRWYFAUGJMNVSO-AWEZNQCLSA-N 0 3 303.789 3.831 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1[O-] ZINC000814169043 1027926468 /nfs/dbraw/zinc/92/64/68/1027926468.db2.gz CHKXDVAPCGPGPW-GXTWGEPZSA-N 0 3 301.764 3.831 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1[O-] ZINC000814169043 1027926481 /nfs/dbraw/zinc/92/64/81/1027926481.db2.gz CHKXDVAPCGPGPW-GXTWGEPZSA-N 0 3 301.764 3.831 20 10 DHCDHN CC(C)Oc1cccc(C[N@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000779033248 1027958189 /nfs/dbraw/zinc/95/81/89/1027958189.db2.gz PREKTVGRBKASIY-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN CC(C)Oc1cccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000779033248 1027958201 /nfs/dbraw/zinc/95/82/01/1027958201.db2.gz PREKTVGRBKASIY-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365623108 1027987808 /nfs/dbraw/zinc/98/78/08/1027987808.db2.gz PQZXSOBAFFXADT-KBAYOESNSA-N 0 3 301.430 3.877 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365623108 1027987817 /nfs/dbraw/zinc/98/78/17/1027987817.db2.gz PQZXSOBAFFXADT-KBAYOESNSA-N 0 3 301.430 3.877 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000367295578 1028159032 /nfs/dbraw/zinc/15/90/32/1028159032.db2.gz QPQKIXCQXUUHDY-RDJZCZTQSA-N 0 3 311.429 3.672 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000367295578 1028159035 /nfs/dbraw/zinc/15/90/35/1028159035.db2.gz QPQKIXCQXUUHDY-RDJZCZTQSA-N 0 3 311.429 3.672 20 10 DHCDHN CN(Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)CCCC2 ZINC000159721271 1028188429 /nfs/dbraw/zinc/18/84/29/1028188429.db2.gz WVIZZXZFXNCLPK-UHFFFAOYSA-N 0 3 316.832 3.951 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000367574738 1028206561 /nfs/dbraw/zinc/20/65/61/1028206561.db2.gz IVSJGZZWEMSXLH-LDLUMPKVSA-N 0 3 317.360 3.713 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368040172 1028288811 /nfs/dbraw/zinc/28/88/11/1028288811.db2.gz HZRVSMUOBIMSNO-DZGCQCFKSA-N 0 3 313.401 3.593 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368040172 1028288830 /nfs/dbraw/zinc/28/88/30/1028288830.db2.gz HZRVSMUOBIMSNO-DZGCQCFKSA-N 0 3 313.401 3.593 20 10 DHCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc1F ZINC000815009406 1028326559 /nfs/dbraw/zinc/32/65/59/1028326559.db2.gz DRSATFIKGZEOTA-UHFFFAOYSA-N 0 3 316.420 3.841 20 10 DHCDHN COc1cccc(C2(NCc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC000815083180 1028356247 /nfs/dbraw/zinc/35/62/47/1028356247.db2.gz KPVOODRRHOEKSL-UHFFFAOYSA-N 0 3 310.441 3.849 20 10 DHCDHN Cc1cc(CNC2(c3ccc4c(c3)OCO4)CC2)ccc1N(C)C ZINC000815085231 1028357182 /nfs/dbraw/zinc/35/71/82/1028357182.db2.gz OYNNXMYQVBVTMY-UHFFFAOYSA-N 0 3 324.424 3.569 20 10 DHCDHN Cc1cc(C)c(O)c(CN2CCN(Cc3ccccc3C)CC2)c1 ZINC000216347989 1028419969 /nfs/dbraw/zinc/41/99/69/1028419969.db2.gz XPFOBHFGKYMTBI-UHFFFAOYSA-N 0 3 324.468 3.635 20 10 DHCDHN Cc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815582611 1028554399 /nfs/dbraw/zinc/55/43/99/1028554399.db2.gz LASLEUIYNWLHBD-LJQANCHMSA-N 0 3 321.424 3.887 20 10 DHCDHN CCN(CC)c1ccc(CN2CCC[C@](CC)(CO)C2)cc1F ZINC000779218225 1028726427 /nfs/dbraw/zinc/72/64/27/1028726427.db2.gz WKHGGZOIWHTJDY-IBGZPJMESA-N 0 3 322.468 3.656 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000372595044 1028875008 /nfs/dbraw/zinc/87/50/08/1028875008.db2.gz OVLKJTMUCCPYMP-MJGOQNOKSA-N 0 3 313.397 3.622 20 10 DHCDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1c1ccccc1)OCO2 ZINC000816630364 1028951894 /nfs/dbraw/zinc/95/18/94/1028951894.db2.gz BLAIDKDDBGXDNJ-LJQANCHMSA-N 0 3 323.392 3.848 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000155231041 1029205158 /nfs/dbraw/zinc/20/51/58/1029205158.db2.gz KLHCMJVSJJZMAF-QZTJIDSGSA-N 0 3 316.420 3.875 20 10 DHCDHN Cc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc(C)n1 ZINC000817588404 1029218265 /nfs/dbraw/zinc/21/82/65/1029218265.db2.gz FEDNSTRIIHOWEW-BONVTDFDSA-N 0 3 300.377 3.881 20 10 DHCDHN CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1[O-] ZINC000155327580 1029224850 /nfs/dbraw/zinc/22/48/50/1029224850.db2.gz MTEJGFPJNWGKAL-OAHLLOKOSA-N 0 3 309.413 3.942 20 10 DHCDHN CCCNCC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817963053 1029301381 /nfs/dbraw/zinc/30/13/81/1029301381.db2.gz RGHXBNDYTFZORJ-CYBMUJFWSA-N 0 3 305.249 3.739 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972378 1029310986 /nfs/dbraw/zinc/31/09/86/1029310986.db2.gz WKRHKOLAPGQWOT-PXWWUCIGSA-N 0 3 317.260 3.880 20 10 DHCDHN CCC[N@H+](Cc1ccc(N(C)CC)nc1)Cc1ccccc1[O-] ZINC000191290100 1029356174 /nfs/dbraw/zinc/35/61/74/1029356174.db2.gz XMTPUIMRTAHLSI-UHFFFAOYSA-N 0 3 313.445 3.656 20 10 DHCDHN CCC[N@@H+](Cc1ccc(N(C)CC)nc1)Cc1ccccc1[O-] ZINC000191290100 1029356185 /nfs/dbraw/zinc/35/61/85/1029356185.db2.gz XMTPUIMRTAHLSI-UHFFFAOYSA-N 0 3 313.445 3.656 20 10 DHCDHN Cc1cnc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000374893471 1029489657 /nfs/dbraw/zinc/48/96/57/1029489657.db2.gz JGMQLEZSNNDDDM-LBPRGKRZSA-N 0 3 306.406 3.676 20 10 DHCDHN Cc1cnc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000374893471 1029489664 /nfs/dbraw/zinc/48/96/64/1029489664.db2.gz JGMQLEZSNNDDDM-LBPRGKRZSA-N 0 3 306.406 3.676 20 10 DHCDHN Cc1ncc([C@@H](C)NC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000865703103 1029982243 /nfs/dbraw/zinc/98/22/43/1029982243.db2.gz ULQXJRHXOJCESN-CFHLNLSMSA-N 0 3 301.459 3.882 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c([O-])c1 ZINC000865853315 1030062801 /nfs/dbraw/zinc/06/28/01/1030062801.db2.gz FXKSEADSRFTCIH-LBPRGKRZSA-N 0 3 312.369 3.783 20 10 DHCDHN CCOc1ccc(O)c(CN(CC)[C@@H](C)c2cccnc2)c1 ZINC000290557551 1030106424 /nfs/dbraw/zinc/10/64/24/1030106424.db2.gz SCZDJKABHPOSEJ-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c([O-])c1 ZINC000866531966 1030351942 /nfs/dbraw/zinc/35/19/42/1030351942.db2.gz SYWGYNDAYWWBMY-HOTGVXAUSA-N 0 3 303.446 3.866 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000823729399 1030385722 /nfs/dbraw/zinc/38/57/22/1030385722.db2.gz FQUBPJBUMVSGDZ-OAHLLOKOSA-N 0 3 316.470 3.744 20 10 DHCDHN CC[C@@H](c1ccc(C)cc1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925755199 1030482526 /nfs/dbraw/zinc/48/25/26/1030482526.db2.gz UTRBQJZBEGONOZ-KRWDZBQOSA-N 0 3 312.413 3.629 20 10 DHCDHN CC[C@@H](c1ccc(C)cc1[O-])[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925755199 1030482533 /nfs/dbraw/zinc/48/25/33/1030482533.db2.gz UTRBQJZBEGONOZ-KRWDZBQOSA-N 0 3 312.413 3.629 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000824468040 1030566506 /nfs/dbraw/zinc/56/65/06/1030566506.db2.gz ASOKLOXVZNFUIK-MRXNPFEDSA-N 0 3 301.361 3.707 20 10 DHCDHN CCN(Cc1cnc2cc(C)ccn12)Cc1ccc(N(C)C)cc1 ZINC001136893137 1030577245 /nfs/dbraw/zinc/57/72/45/1030577245.db2.gz ZCWCSLKFWKJHRA-UHFFFAOYSA-N 0 3 322.456 3.731 20 10 DHCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136940817 1030652070 /nfs/dbraw/zinc/65/20/70/1030652070.db2.gz QZTMQRCUBPRREC-UHFFFAOYSA-N 0 3 319.351 3.594 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136940817 1030652073 /nfs/dbraw/zinc/65/20/73/1030652073.db2.gz QZTMQRCUBPRREC-UHFFFAOYSA-N 0 3 319.351 3.594 20 10 DHCDHN Cc1cc([O-])c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000824850295 1030653603 /nfs/dbraw/zinc/65/36/03/1030653603.db2.gz KUSLTZOYYRJXLQ-MRXNPFEDSA-N 0 3 322.880 3.804 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1[O-] ZINC000824942075 1030677019 /nfs/dbraw/zinc/67/70/19/1030677019.db2.gz VROLLFJJLLXLGW-GDBMZVCRSA-N 0 3 307.821 3.675 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1[O-] ZINC000824942075 1030677025 /nfs/dbraw/zinc/67/70/25/1030677025.db2.gz VROLLFJJLLXLGW-GDBMZVCRSA-N 0 3 307.821 3.675 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1[O-] ZINC000824954465 1030679753 /nfs/dbraw/zinc/67/97/53/1030679753.db2.gz QLMSNDNWIZJVEH-AYBZRNKSSA-N 0 3 312.413 3.748 20 10 DHCDHN Cc1ccc2c(CN3CCCc4cc(O)c(O)cc4C3)c[nH]c2c1 ZINC001136975521 1030685720 /nfs/dbraw/zinc/68/57/20/1030685720.db2.gz KHHDFBNKLORFHT-UHFFFAOYSA-N 0 3 322.408 3.836 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000292011656 1030754331 /nfs/dbraw/zinc/75/43/31/1030754331.db2.gz YUUMNXDAHMADOA-RVPKQNPDSA-N 0 3 321.417 3.946 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cc(F)ccc1[O-] ZINC000926918927 1030991639 /nfs/dbraw/zinc/99/16/39/1030991639.db2.gz JVUWNQHPSKGCQO-NEPJUHHUSA-N 0 3 301.361 3.706 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000926960344 1031018956 /nfs/dbraw/zinc/01/89/56/1031018956.db2.gz FMCMECFMADWRJM-HIFRSBDPSA-N 0 3 318.383 3.624 20 10 DHCDHN CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cnn(C)c1 ZINC000927067224 1031064608 /nfs/dbraw/zinc/06/46/08/1031064608.db2.gz DOIOOFUFJOUDNF-VZSAFFHGSA-N 0 3 317.408 3.800 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2[O-] ZINC000927090178 1031082330 /nfs/dbraw/zinc/08/23/30/1031082330.db2.gz JJCSLEJIUVHMLJ-ABAIWWIYSA-N 0 3 313.372 3.804 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccccc1[O-] ZINC000927158186 1031124031 /nfs/dbraw/zinc/12/40/31/1031124031.db2.gz SQISLNYRMOATGS-POAQFYNOSA-N 0 3 311.425 3.526 20 10 DHCDHN CCOC(CN(C)Cc1ccc(N2CCCCC2)cc1)OCC ZINC000123654924 1031226785 /nfs/dbraw/zinc/22/67/85/1031226785.db2.gz CTVCKQJCDFNZTF-UHFFFAOYSA-N 0 3 320.477 3.508 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccccc1[O-] ZINC000360698634 1031525369 /nfs/dbraw/zinc/52/53/69/1031525369.db2.gz LRKDVFWHTGQTNA-AWEZNQCLSA-N 0 3 307.397 3.644 20 10 DHCDHN Cc1nccnc1[C@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134009 1031529018 /nfs/dbraw/zinc/52/90/18/1031529018.db2.gz QDLQRZKDCDMRCV-JSGCOSHPSA-N 0 3 311.429 3.781 20 10 DHCDHN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C)c1ccccc1[O-] ZINC000360709353 1031531074 /nfs/dbraw/zinc/53/10/74/1031531074.db2.gz CJEWONZNIJAEOX-DCPHZVHLSA-N 0 3 310.441 3.661 20 10 DHCDHN CC(=O)Nc1ccc2c(c1)CN(Cc1cc(C)c(C)cc1O)CC2 ZINC000872811685 1031666620 /nfs/dbraw/zinc/66/66/20/1031666620.db2.gz OELAUYJNGVXBPL-UHFFFAOYSA-N 0 3 324.424 3.526 20 10 DHCDHN Cc1ccn2cc(CN[C@H](C)c3c(C)cc(C)cc3O)nc2c1 ZINC000293919101 1031696272 /nfs/dbraw/zinc/69/62/72/1031696272.db2.gz XHBUJGLOWBJHEL-OAHLLOKOSA-N 0 3 309.413 3.816 20 10 DHCDHN Cc1ccn2cc(CN[C@@H](C)c3c(C)cc(C)cc3O)nc2c1 ZINC000293919081 1031696847 /nfs/dbraw/zinc/69/68/47/1031696847.db2.gz XHBUJGLOWBJHEL-HNNXBMFYSA-N 0 3 309.413 3.816 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccccc1[O-] ZINC000845992273 1031796030 /nfs/dbraw/zinc/79/60/30/1031796030.db2.gz HYRXFAOIJYZIGS-INIZCTEOSA-N 0 3 315.413 3.959 20 10 DHCDHN CC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158421 1031888806 /nfs/dbraw/zinc/88/88/06/1031888806.db2.gz YGPGLSBFCCMPLN-HZMBPMFUSA-N 0 3 304.390 3.808 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H]2CCOc3c(F)cccc32)c1O ZINC000846165892 1031894947 /nfs/dbraw/zinc/89/49/47/1031894947.db2.gz PFKJMSOBYFBRCR-XHDPSFHLSA-N 0 3 317.360 3.714 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)CC2 ZINC000846212459 1031944382 /nfs/dbraw/zinc/94/43/82/1031944382.db2.gz DUZLYZISZUFWAJ-NWDGAFQWSA-N 0 3 300.229 3.943 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)CC2 ZINC000846212465 1031944779 /nfs/dbraw/zinc/94/47/79/1031944779.db2.gz DUZLYZISZUFWAJ-VXGBXAGGSA-N 0 3 300.229 3.943 20 10 DHCDHN Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000877519666 1033333001 /nfs/dbraw/zinc/33/30/01/1033333001.db2.gz ZEHHAKMEENOLML-AABGKKOBSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000877519666 1033333011 /nfs/dbraw/zinc/33/30/11/1033333011.db2.gz ZEHHAKMEENOLML-AABGKKOBSA-N 0 3 323.436 3.705 20 10 DHCDHN COc1cc2c(c(C[NH2+][C@@H](C)c3ccccc3[O-])c1)O[C@@H](C)C2 ZINC000877757401 1033434163 /nfs/dbraw/zinc/43/41/63/1033434163.db2.gz XQNVZKOGZHYDSU-STQMWFEESA-N 0 3 313.397 3.575 20 10 DHCDHN CC[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1[O-] ZINC000927070993 1033523883 /nfs/dbraw/zinc/52/38/83/1033523883.db2.gz RMIAXUITUWNIBT-FUHWJXTLSA-N 0 3 301.434 3.872 20 10 DHCDHN CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001173611207 1033793485 /nfs/dbraw/zinc/79/34/85/1033793485.db2.gz NYRYRVDMNOMBPV-VSPZMHAVSA-N 0 3 317.429 3.555 20 10 DHCDHN CCOc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(Cl)c1[O-] ZINC000862478446 1033863721 /nfs/dbraw/zinc/86/37/21/1033863721.db2.gz HOEOIIFIAPWKJU-UHFFFAOYSA-N 0 3 321.804 3.748 20 10 DHCDHN Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648191 1034070365 /nfs/dbraw/zinc/07/03/65/1034070365.db2.gz DCSVUXMMIPIZJL-CYBMUJFWSA-N 0 3 316.376 3.519 20 10 DHCDHN CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650030 1034072112 /nfs/dbraw/zinc/07/21/12/1034072112.db2.gz YFNVFUYQWBYGTO-CQSZACIVSA-N 0 3 312.413 3.552 20 10 DHCDHN Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649348 1034072655 /nfs/dbraw/zinc/07/26/55/1034072655.db2.gz QRTVMMGPJWWXRT-OLZOCXBDSA-N 0 3 316.376 3.518 20 10 DHCDHN C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000879651666 1034073972 /nfs/dbraw/zinc/07/39/72/1034073972.db2.gz FZCAPQRUTAOCLW-AWEZNQCLSA-N 0 3 323.396 3.726 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1 ZINC000178227974 1034221286 /nfs/dbraw/zinc/22/12/86/1034221286.db2.gz DULIUXOPGNMSEM-HNNXBMFYSA-N 0 3 300.450 3.600 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1[O-] ZINC000183440526 1034387314 /nfs/dbraw/zinc/38/73/14/1034387314.db2.gz XRHTUSVKMXIZHI-OAHLLOKOSA-N 0 3 324.424 3.760 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000183625134 1034405563 /nfs/dbraw/zinc/40/55/63/1034405563.db2.gz FHFQPYNXWPZCRA-MAUKXSAKSA-N 0 3 313.441 3.845 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794800890 1034472906 /nfs/dbraw/zinc/47/29/06/1034472906.db2.gz FEIOYOGAWLTZCY-MJGOQNOKSA-N 0 3 313.441 3.593 20 10 DHCDHN CC[C@H]([NH2+][C@H](CO)[C@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794808385 1034497068 /nfs/dbraw/zinc/49/70/68/1034497068.db2.gz ASFLLGPCQGDFKC-AYOQOUSVSA-N 0 3 313.441 3.906 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000184918279 1034512537 /nfs/dbraw/zinc/51/25/37/1034512537.db2.gz CYQRQLXDNWVXDC-PXAZEXFGSA-N 0 3 305.805 3.738 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794814537 1034520583 /nfs/dbraw/zinc/52/05/83/1034520583.db2.gz LSMCSPIFRFQDJH-HIFRSBDPSA-N 0 3 322.449 3.655 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185104606 1034527439 /nfs/dbraw/zinc/52/74/39/1034527439.db2.gz DNTUWKSKVXAYFG-CQSZACIVSA-N 0 3 314.404 3.851 20 10 DHCDHN Cc1cccc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000794830127 1034550132 /nfs/dbraw/zinc/55/01/32/1034550132.db2.gz ZEDQOERTFIGBGO-ABAIWWIYSA-N 0 3 300.377 3.615 20 10 DHCDHN Cc1cccc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000794830130 1034550272 /nfs/dbraw/zinc/55/02/72/1034550272.db2.gz ZEDQOERTFIGBGO-NHYWBVRUSA-N 0 3 300.377 3.615 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000185468711 1034552389 /nfs/dbraw/zinc/55/23/89/1034552389.db2.gz HLSWHSGVORLDGQ-VBHSOAQHSA-N 0 3 303.377 3.612 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000186196569 1034606970 /nfs/dbraw/zinc/60/69/70/1034606970.db2.gz RCSAZIDYVXNQMW-DIFFPNOSSA-N 0 3 323.795 3.877 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCCNc3ccccc32)cc1F ZINC000192780252 1034820084 /nfs/dbraw/zinc/82/00/84/1034820084.db2.gz XGWSIGNQFZTJJY-SFHVURJKSA-N 0 3 313.420 3.928 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)c1ccccc1[O-] ZINC001175417785 1034973369 /nfs/dbraw/zinc/97/33/69/1034973369.db2.gz AWZNXIWKRYDFOP-CQSZACIVSA-N 0 3 305.381 3.700 20 10 DHCDHN COc1ccc(C[N@H+](CC2CC2)C2CCCCC2)c([O-])c1OC ZINC001180048893 1035565124 /nfs/dbraw/zinc/56/51/24/1035565124.db2.gz YJXHRJDWNXOCPP-UHFFFAOYSA-N 0 3 319.445 3.954 20 10 DHCDHN COc1ccc(C[N@@H+](CC2CC2)C2CCCCC2)c([O-])c1OC ZINC001180048893 1035565135 /nfs/dbraw/zinc/56/51/35/1035565135.db2.gz YJXHRJDWNXOCPP-UHFFFAOYSA-N 0 3 319.445 3.954 20 10 DHCDHN COCC[C@H](NCc1cc(C(C)C)ccc1O)c1ccco1 ZINC001180317727 1035641767 /nfs/dbraw/zinc/64/17/67/1035641767.db2.gz MWUSUFLWGWVKKR-INIZCTEOSA-N 0 3 303.402 3.976 20 10 DHCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccc2c1OCC2 ZINC001181554434 1035940375 /nfs/dbraw/zinc/94/03/75/1035940375.db2.gz DGKADVDOUCZHBA-UHFFFAOYSA-N 0 3 322.452 3.854 20 10 DHCDHN Cc1ccc(C[NH2+]CCOc2ccc(Cl)c(F)c2)c([O-])c1 ZINC001181776577 1035988092 /nfs/dbraw/zinc/98/80/92/1035988092.db2.gz PWBSZSABULZYLF-UHFFFAOYSA-N 0 3 309.768 3.662 20 10 DHCDHN CCC[N@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1[O-] ZINC000775667540 1036329882 /nfs/dbraw/zinc/32/98/82/1036329882.db2.gz KQDHFRYOHWRDIT-UHFFFAOYSA-N 0 3 309.413 3.691 20 10 DHCDHN CCC[N@@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1[O-] ZINC000775667540 1036329903 /nfs/dbraw/zinc/32/99/03/1036329903.db2.gz KQDHFRYOHWRDIT-UHFFFAOYSA-N 0 3 309.413 3.691 20 10 DHCDHN CCCn1cc(CNCc2ccc(N(CC)CC)cc2)c(C)n1 ZINC001199403346 1037256989 /nfs/dbraw/zinc/25/69/89/1037256989.db2.gz SFRCDKLNXHROEQ-UHFFFAOYSA-N 0 3 314.477 3.738 20 10 DHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC000776010149 1037305269 /nfs/dbraw/zinc/30/52/69/1037305269.db2.gz MMBIMOVNXVGLFD-INIZCTEOSA-N 0 3 311.425 3.992 20 10 DHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC000776010149 1037305283 /nfs/dbraw/zinc/30/52/83/1037305283.db2.gz MMBIMOVNXVGLFD-INIZCTEOSA-N 0 3 311.425 3.992 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000774982966 1037329520 /nfs/dbraw/zinc/32/95/20/1037329520.db2.gz MMWRGJNWSUEAPE-UHFFFAOYSA-N 0 3 306.203 3.753 20 10 DHCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000776123254 1037464621 /nfs/dbraw/zinc/46/46/21/1037464621.db2.gz NDEYBCSKKQDVBS-UHFFFAOYSA-N 0 3 322.880 3.790 20 10 DHCDHN COc1ccc(O)c(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000776174043 1037679626 /nfs/dbraw/zinc/67/96/26/1037679626.db2.gz ZIJPLXAGMKIFNB-UHFFFAOYSA-N 0 3 303.789 3.833 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000776231963 1037983714 /nfs/dbraw/zinc/98/37/14/1037983714.db2.gz RNPZMPABDWSXDZ-MRXNPFEDSA-N 0 3 321.852 3.965 20 10 DHCDHN Cc1cccn2c(CN[C@H](C)c3ccc(N(C)C)cc3)cnc12 ZINC000775363182 1038275419 /nfs/dbraw/zinc/27/54/19/1038275419.db2.gz LFJGVXPVKUMXHH-OAHLLOKOSA-N 0 3 308.429 3.560 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000775410917 1038380345 /nfs/dbraw/zinc/38/03/45/1038380345.db2.gz CHINDTWAHYUWTM-WBVHZDCISA-N 0 3 305.805 3.820 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000775410912 1038382827 /nfs/dbraw/zinc/38/28/27/1038382827.db2.gz CHINDTWAHYUWTM-DOTOQJQBSA-N 0 3 305.805 3.820 20 10 DHCDHN CC[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775414182 1038387319 /nfs/dbraw/zinc/38/73/19/1038387319.db2.gz DURUIRVOVHGRJU-HNNXBMFYSA-N 0 3 315.804 3.934 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccccc1OC)c1ccccc1[O-] ZINC000775416753 1038396829 /nfs/dbraw/zinc/39/68/29/1038396829.db2.gz YZHJHYPWKYBHGX-HNNXBMFYSA-N 0 3 301.386 3.521 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775493278 1038569309 /nfs/dbraw/zinc/56/93/09/1038569309.db2.gz WXICDCCGKNTXIR-BLLLJJGKSA-N 0 3 308.853 3.571 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775493281 1038569479 /nfs/dbraw/zinc/56/94/79/1038569479.db2.gz WXICDCCGKNTXIR-MLGOLLRUSA-N 0 3 308.853 3.571 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000775495806 1038574577 /nfs/dbraw/zinc/57/45/77/1038574577.db2.gz AHGPWDBKWFLOIL-OXJNMPFZSA-N 0 3 324.468 3.880 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1ccccc1[O-] ZINC000775496806 1038579361 /nfs/dbraw/zinc/57/93/61/1038579361.db2.gz LTRVJKFENWLLGP-MAUKXSAKSA-N 0 3 310.441 3.884 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1[O-] ZINC000775500639 1038590728 /nfs/dbraw/zinc/59/07/28/1038590728.db2.gz VSIFYZQOGHGQEL-LJQANCHMSA-N 0 3 321.424 3.861 20 10 DHCDHN CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccccc1[O-] ZINC000775552014 1038708657 /nfs/dbraw/zinc/70/86/57/1038708657.db2.gz RGQDYKSHHPFEQJ-PBHICJAKSA-N 0 3 303.402 3.674 20 10 DHCDHN COc1cc(Br)cc(CN2CCCCCC2)c1O ZINC000157369322 1038906484 /nfs/dbraw/zinc/90/64/84/1038906484.db2.gz NDHZCEPMTSZRSS-UHFFFAOYSA-N 0 3 314.223 3.539 20 10 DHCDHN Nc1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC001120370989 1040602117 /nfs/dbraw/zinc/60/21/17/1040602117.db2.gz LUQGRFPNQISXIA-MRXNPFEDSA-N 0 3 302.443 3.512 20 10 DHCDHN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CN1CCCC1 ZINC000060942127 1041332503 /nfs/dbraw/zinc/33/25/03/1041332503.db2.gz RHPWGAAMLKPULZ-NSHDSACASA-N 0 3 317.260 3.521 20 10 DHCDHN CCC[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1[O-] ZINC000092704994 185334013 /nfs/dbraw/zinc/33/40/13/185334013.db2.gz WOFGUQPJFIXNSF-UHFFFAOYSA-N 0 3 312.413 3.763 20 10 DHCDHN CCC[N@@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1[O-] ZINC000092704994 185334014 /nfs/dbraw/zinc/33/40/14/185334014.db2.gz WOFGUQPJFIXNSF-UHFFFAOYSA-N 0 3 312.413 3.763 20 10 DHCDHN CCOc1cccc(CN(CCC(F)(F)F)CC2CC2)c1O ZINC000091901607 193124623 /nfs/dbraw/zinc/12/46/23/193124623.db2.gz FHPJANPVAHUGDU-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN CCOc1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1[O-] ZINC000091901607 193124626 /nfs/dbraw/zinc/12/46/26/193124626.db2.gz FHPJANPVAHUGDU-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN CCOc1cccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1[O-] ZINC000091901607 193124627 /nfs/dbraw/zinc/12/46/27/193124627.db2.gz FHPJANPVAHUGDU-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1Cl ZINC000042879418 183316145 /nfs/dbraw/zinc/31/61/45/183316145.db2.gz AGIFJSMDGQBYIU-SNVBAGLBSA-N 0 3 305.761 3.625 20 10 DHCDHN CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000273353004 130109623 /nfs/dbraw/zinc/10/96/23/130109623.db2.gz CCMWPDAOWHVZFX-CQSZACIVSA-N 0 3 315.461 3.718 20 10 DHCDHN COc1cccc(CN[C@H](C)c2ccc(C)c(C)c2O)c1OC ZINC000273384177 130113716 /nfs/dbraw/zinc/11/37/16/130113716.db2.gz JBJKJVZKUNUDKH-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(F)ccc1[O-] ZINC000273405863 130117471 /nfs/dbraw/zinc/11/74/71/130117471.db2.gz OIZICCNWZKPEHP-IAQYHMDHSA-N 0 3 308.422 3.546 20 10 DHCDHN C[C@@H](NCc1cn2ccccc2n1)c1cc2c(cc1O)CCCC2 ZINC000273432252 130120959 /nfs/dbraw/zinc/12/09/59/130120959.db2.gz WBZQFFOPZFZNGA-CQSZACIVSA-N 0 3 321.424 3.770 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000273452854 130124410 /nfs/dbraw/zinc/12/44/10/130124410.db2.gz GKHYSHRBVMPBCK-LZWOXQAQSA-N 0 3 307.434 3.645 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000273508675 130130983 /nfs/dbraw/zinc/13/09/83/130130983.db2.gz RINKMYXMYQZVSQ-FBJOKTGGSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c([O-])c1C ZINC000273598735 130141736 /nfs/dbraw/zinc/14/17/36/130141736.db2.gz RNGOZXZTBHWQFM-HNNXBMFYSA-N 0 3 312.413 3.688 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccccc1OCCOC)c1ccccc1[O-] ZINC000274865644 130268253 /nfs/dbraw/zinc/26/82/53/130268253.db2.gz DUPOTMJYOHSNNS-KRWDZBQOSA-N 0 3 315.413 3.658 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c([O-])c1 ZINC000283998445 131039630 /nfs/dbraw/zinc/03/96/30/131039630.db2.gz HRFZVEXXOVWRMW-OAHLLOKOSA-N 0 3 309.413 3.550 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284407307 131078373 /nfs/dbraw/zinc/07/83/73/131078373.db2.gz QDXAZPPHFBMPGX-UONOGXRCSA-N 0 3 300.229 3.716 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284407307 131078374 /nfs/dbraw/zinc/07/83/74/131078374.db2.gz QDXAZPPHFBMPGX-UONOGXRCSA-N 0 3 300.229 3.716 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000285237141 131150546 /nfs/dbraw/zinc/15/05/46/131150546.db2.gz PMDHHEBQAPJTHT-MPGHIAIKSA-N 0 3 321.486 3.714 20 10 DHCDHN C[C@H](NCC1=CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287173081 131267866 /nfs/dbraw/zinc/26/78/66/131267866.db2.gz USZFKUXQPKCIKE-HNNXBMFYSA-N 0 3 318.436 3.813 20 10 DHCDHN Cc1cnn(C)c1C[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000289071546 131356514 /nfs/dbraw/zinc/35/65/14/131356514.db2.gz JUQGQGQJQYSXKC-UHFFFAOYSA-N 0 3 313.445 3.769 20 10 DHCDHN Cc1cnn(C)c1C[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000289071546 131356515 /nfs/dbraw/zinc/35/65/15/131356515.db2.gz JUQGQGQJQYSXKC-UHFFFAOYSA-N 0 3 313.445 3.769 20 10 DHCDHN COc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1C ZINC000290057789 131449102 /nfs/dbraw/zinc/44/91/02/131449102.db2.gz GXYZKGIOSCBDCV-SFHVURJKSA-N 0 3 316.420 3.535 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(-n2cccn2)cc1 ZINC000297957738 132042441 /nfs/dbraw/zinc/04/24/41/132042441.db2.gz ZCARLVYRJRSGAQ-KDOFPFPSSA-N 0 3 319.408 3.916 20 10 DHCDHN CCOCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184990413 333203194 /nfs/dbraw/zinc/20/31/94/333203194.db2.gz ZBEIEEYDVRJJJE-ZDUSSCGKSA-N 0 3 303.377 3.919 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)CC2 ZINC000297255796 335152198 /nfs/dbraw/zinc/15/21/98/335152198.db2.gz JRDGOKLSCPKTPP-JKSUJKDBSA-N 0 3 317.816 3.746 20 10 DHCDHN C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000272870044 334040555 /nfs/dbraw/zinc/04/05/55/334040555.db2.gz OPFFTAIVQNFJCP-WLYUNCDWSA-N 0 3 319.445 3.943 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c([O-])c1C ZINC000273464255 334047525 /nfs/dbraw/zinc/04/75/25/334047525.db2.gz DJRUTDAHPHBECB-DYVFJYSZSA-N 0 3 305.443 3.629 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c([O-])c1C ZINC000273464256 334047591 /nfs/dbraw/zinc/04/75/91/334047591.db2.gz DJRUTDAHPHBECB-GUYCJALGSA-N 0 3 305.443 3.629 20 10 DHCDHN COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000368327880 336842457 /nfs/dbraw/zinc/84/24/57/336842457.db2.gz NFPXSAUQAXRWRP-ABAIWWIYSA-N 0 3 317.360 3.714 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000369516007 336866295 /nfs/dbraw/zinc/86/62/95/336866295.db2.gz BTZYSQBTBSRIKP-GOSISDBHSA-N 0 3 311.425 3.827 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000371864524 336914863 /nfs/dbraw/zinc/91/48/63/336914863.db2.gz LTIFHBQPWQEWFK-AWEZNQCLSA-N 0 3 319.445 3.791 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000375255466 337006614 /nfs/dbraw/zinc/00/66/14/337006614.db2.gz GNAJJCICETUFCD-NVXWUHKLSA-N 0 3 313.445 3.532 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000375255466 337006615 /nfs/dbraw/zinc/00/66/15/337006615.db2.gz GNAJJCICETUFCD-NVXWUHKLSA-N 0 3 313.445 3.532 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH2+][C@H]1C[C@@H](CO)c2ccccc21 ZINC000376957263 337044199 /nfs/dbraw/zinc/04/41/99/337044199.db2.gz JMBQRMVAGREVJF-YWZLYKJASA-N 0 3 319.404 3.856 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1[O-] ZINC000378439664 337072762 /nfs/dbraw/zinc/07/27/62/337072762.db2.gz STQDMIKJAFAPLH-CYBMUJFWSA-N 0 3 317.820 3.524 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1[O-] ZINC000378439664 337072763 /nfs/dbraw/zinc/07/27/63/337072763.db2.gz STQDMIKJAFAPLH-CYBMUJFWSA-N 0 3 317.820 3.524 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000180231639 337175377 /nfs/dbraw/zinc/17/53/77/337175377.db2.gz BSYWEZUTBGZGTJ-UHFFFAOYSA-N 0 3 307.409 3.703 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1[O-] ZINC000183553323 337192173 /nfs/dbraw/zinc/19/21/73/337192173.db2.gz WWWOETPIIQMRLP-CYBMUJFWSA-N 0 3 302.443 3.773 20 10 DHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])c1nc(-c2ccccc2)no1 ZINC000183631834 337193931 /nfs/dbraw/zinc/19/39/31/337193931.db2.gz RSJKWIRHRJGSLV-ZIAGYGMSSA-N 0 3 323.396 3.897 20 10 DHCDHN Cc1cc(O)c(CN2CCC(Nc3nccs3)CC2)cc1C ZINC000189954992 337284014 /nfs/dbraw/zinc/28/40/14/337284014.db2.gz ZVQUDLSGSDIWNU-UHFFFAOYSA-N 0 3 317.458 3.542 20 10 DHCDHN Cc1cc([O-])c(C[NH+]2CCC(Nc3nccs3)CC2)cc1C ZINC000189954992 337284015 /nfs/dbraw/zinc/28/40/15/337284015.db2.gz ZVQUDLSGSDIWNU-UHFFFAOYSA-N 0 3 317.458 3.542 20 10 DHCDHN COc1ccc([C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C2CC2)cn1 ZINC000527842715 337768105 /nfs/dbraw/zinc/76/81/05/337768105.db2.gz YBCXRHADIBOIOB-LJQANCHMSA-N 0 3 312.413 3.654 20 10 DHCDHN COC[C@H](NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000554377904 341452607 /nfs/dbraw/zinc/45/26/07/341452607.db2.gz WPVIUXKPGLDWNW-SFHVURJKSA-N 0 3 308.425 3.964 20 10 DHCDHN CCc1ccccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157935701 521843818 /nfs/dbraw/zinc/84/38/18/521843818.db2.gz RONIKKGEXJBEKF-QGZVFWFLSA-N 0 3 324.468 3.936 20 10 DHCDHN CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1CO)c1ccccc1[O-] ZINC000365160154 522761247 /nfs/dbraw/zinc/76/12/47/522761247.db2.gz WMXJGTBOZQFDQY-ZAAXVRCTSA-N 0 3 311.425 3.729 20 10 DHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000159623391 522772375 /nfs/dbraw/zinc/77/23/75/522772375.db2.gz FRYASCDUIMGNIY-MRXNPFEDSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000159623391 522772383 /nfs/dbraw/zinc/77/23/83/522772383.db2.gz FRYASCDUIMGNIY-MRXNPFEDSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1cc(O)c(CN2C[C@H](C)[C@H]2c2ccccc2)cc1OC ZINC000160316476 522779473 /nfs/dbraw/zinc/77/94/73/522779473.db2.gz NXKCXBGIRSSWCL-DJJJIMSYSA-N 0 3 313.397 3.602 20 10 DHCDHN CC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000156869509 522820520 /nfs/dbraw/zinc/82/05/20/522820520.db2.gz BSAXQIKKQLFULX-IEBWSBKVSA-N 0 3 311.425 3.947 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156444015 522839351 /nfs/dbraw/zinc/83/93/51/522839351.db2.gz UXJLCVFAAKDOBX-GOEBONIOSA-N 0 3 310.397 3.559 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1[O-] ZINC000364380886 522951343 /nfs/dbraw/zinc/95/13/43/522951343.db2.gz SLLXFDDIRKBGDH-DOTOQJQBSA-N 0 3 313.445 3.768 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000266223317 525324027 /nfs/dbraw/zinc/32/40/27/525324027.db2.gz RUUQALBBMDADKI-AWEZNQCLSA-N 0 3 324.424 3.745 20 10 DHCDHN Cc1ccc([O-])c(C[NH+]2CCC(c3ccccc3CO)CC2)c1 ZINC000364917918 525338895 /nfs/dbraw/zinc/33/88/95/525338895.db2.gz YZRABEKCEMEAPA-UHFFFAOYSA-N 0 3 311.425 3.573 20 10 DHCDHN CCOc1cccc(C[NH2+]Cc2ccc(CSC)cc2)c1[O-] ZINC000285357123 535460568 /nfs/dbraw/zinc/46/05/68/535460568.db2.gz BEMDPOKMNSUZGJ-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CCOc1cccc(CNCc2ccc(CSC)cc2)c1O ZINC000285357123 535460575 /nfs/dbraw/zinc/46/05/75/535460575.db2.gz BEMDPOKMNSUZGJ-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1[O-] ZINC000274881644 535918222 /nfs/dbraw/zinc/91/82/22/535918222.db2.gz HQASYVUPKAZZKB-SFHVURJKSA-N 0 3 324.424 3.525 20 10 DHCDHN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000155442022 1013706019 /nfs/dbraw/zinc/70/60/19/1013706019.db2.gz GJCHKWBDCHBSRG-CQSZACIVSA-N 0 3 311.429 3.562 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000047828489 1014090486 /nfs/dbraw/zinc/09/04/86/1014090486.db2.gz YBKYVTCKBLGHKL-CQSZACIVSA-N 0 3 324.424 3.739 20 10 DHCDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000160541300 1014216935 /nfs/dbraw/zinc/21/69/35/1014216935.db2.gz JEDZLGVOSWNBSD-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)C(C)(F)F)c1[O-] ZINC000696587441 1014449376 /nfs/dbraw/zinc/44/93/76/1014449376.db2.gz SGHUEZPUTQCWEG-UHFFFAOYSA-N 0 3 307.768 3.825 20 10 DHCDHN COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000895640724 1015239250 /nfs/dbraw/zinc/23/92/50/1015239250.db2.gz QYSNNWDKSFDEEC-OAHLLOKOSA-N 0 3 317.360 3.543 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)O[C@H](C)[C@H]3C)c2c1 ZINC000783542354 1015760449 /nfs/dbraw/zinc/76/04/49/1015760449.db2.gz JYVIWGIVEHZARK-BFHYXJOUSA-N 0 3 315.413 3.552 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)O[C@H](C)[C@H]3C)c2c1 ZINC000783542354 1015760451 /nfs/dbraw/zinc/76/04/51/1015760451.db2.gz JYVIWGIVEHZARK-BFHYXJOUSA-N 0 3 315.413 3.552 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1[O-] ZINC000184835282 1016390518 /nfs/dbraw/zinc/39/05/18/1016390518.db2.gz LTICMHLIEYOKGQ-SJKOYZFVSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(F)ccc1[O-] ZINC000185405449 1016895424 /nfs/dbraw/zinc/89/54/24/1016895424.db2.gz CXKJAGNNWUQZKZ-STQMWFEESA-N 0 3 301.361 3.748 20 10 DHCDHN C[C@@H]([NH2+]CCCSc1nccs1)c1cc(F)ccc1[O-] ZINC000185490188 1016947276 /nfs/dbraw/zinc/94/72/76/1016947276.db2.gz FYXPAXQBSUTVGK-SNVBAGLBSA-N 0 3 312.435 3.821 20 10 DHCDHN COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185580272 1017030185 /nfs/dbraw/zinc/03/01/85/1017030185.db2.gz MIKCYWFQCVSOAJ-CABCVRRESA-N 0 3 315.413 3.827 20 10 DHCDHN CCN(CC)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000323001188 1032264410 /nfs/dbraw/zinc/26/44/10/1032264410.db2.gz KTWOAOWKWSDKBF-SFHVURJKSA-N 0 3 316.420 3.704 20 10 DHCDHN Cc1c(CN[C@@H](C)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000323214815 1032339771 /nfs/dbraw/zinc/33/97/71/1032339771.db2.gz XZARQSNTXYRYRK-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1c(C)nn(C)c1C ZINC000772996880 1032477232 /nfs/dbraw/zinc/47/72/32/1032477232.db2.gz IFRXHZDOYNBNHI-KRWDZBQOSA-N 0 3 314.477 3.652 20 10 DHCDHN Cc1n[nH]cc1CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773011978 1032527301 /nfs/dbraw/zinc/52/73/01/1032527301.db2.gz BSMATPHUYLUWOV-HNNXBMFYSA-N 0 3 312.461 3.949 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2sccc2C)cc1 ZINC000773043535 1032537211 /nfs/dbraw/zinc/53/72/11/1032537211.db2.gz CPXUYKJDWYZLQP-YOEHRIQHSA-N 0 3 318.486 3.897 20 10 DHCDHN C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1[O-] ZINC000037000052 1032627556 /nfs/dbraw/zinc/62/75/56/1032627556.db2.gz PCGMGBNVFKPSKN-LBPRGKRZSA-N 0 3 320.230 3.876 20 10 DHCDHN Cc1cc(CNCCc2cc(C)n(-c3ccccc3)c2C)on1 ZINC000857761317 1032676265 /nfs/dbraw/zinc/67/62/65/1032676265.db2.gz TTWRKFCJDGHIMF-UHFFFAOYSA-N 0 3 309.413 3.723 20 10 DHCDHN COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185744712 1017144311 /nfs/dbraw/zinc/14/43/11/1017144311.db2.gz KCQPWDWWRKSJIO-BZNIZROVSA-N 0 3 301.361 3.878 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CC(OCc3ccccc3)C1)CC2 ZINC000716287489 1032693408 /nfs/dbraw/zinc/69/34/08/1032693408.db2.gz ZBYYSPJJUKFVJS-DAWZGUTISA-N 0 3 309.409 3.717 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000701921664 1018124081 /nfs/dbraw/zinc/12/40/81/1018124081.db2.gz ZKZKSQXBIYFDIH-UONOGXRCSA-N 0 3 322.449 3.607 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000263716063 1032758233 /nfs/dbraw/zinc/75/82/33/1032758233.db2.gz VJGSPIQLGCQBCE-UHFFFAOYSA-N 0 3 322.452 3.776 20 10 DHCDHN CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccccc1[O-] ZINC000186474057 1018827117 /nfs/dbraw/zinc/82/71/17/1018827117.db2.gz RQZNGXXHZLBOSO-INIZCTEOSA-N 0 3 309.413 3.562 20 10 DHCDHN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000765946212 1018954915 /nfs/dbraw/zinc/95/49/15/1018954915.db2.gz ONTIVJWSPCMQNG-LSDHHAIUSA-N 0 3 300.450 3.942 20 10 DHCDHN CCOc1ccc(O)c(CN[C@]2(C)CCOc3ccccc32)c1 ZINC000923026217 1018991128 /nfs/dbraw/zinc/99/11/28/1018991128.db2.gz SGJBPTUUHGTKAE-LJQANCHMSA-N 0 3 313.397 3.578 20 10 DHCDHN c1ccc2c(c1)CCSC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000765607364 1018994973 /nfs/dbraw/zinc/99/49/73/1018994973.db2.gz CDIPZHCPKTXTBU-SFHVURJKSA-N 0 3 311.450 3.742 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000858299189 1032835194 /nfs/dbraw/zinc/83/51/94/1032835194.db2.gz QPWUWUJZTFFSER-AZUAARDMSA-N 0 3 309.409 3.716 20 10 DHCDHN CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186966 1019641496 /nfs/dbraw/zinc/64/14/96/1019641496.db2.gz JWXBHDIKUAYQFX-MEBBXXQBSA-N 0 3 304.390 3.808 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000186189355 1019651079 /nfs/dbraw/zinc/65/10/79/1019651079.db2.gz IQPLCCYJPVTYTK-SOVGHPHASA-N 0 3 314.404 3.627 20 10 DHCDHN Cc1cc(O)c(CN2C[C@H](c3ccccc3)OC[C@@H]2C)cc1C ZINC000727432101 1019711735 /nfs/dbraw/zinc/71/17/35/1019711735.db2.gz ZWGJIADZDHOLNW-OXJNMPFZSA-N 0 3 311.425 3.971 20 10 DHCDHN COc1ccc([C@@H](NCc2ccc3c(c2)CCCO3)C2CC2)cn1 ZINC000922299025 1019979413 /nfs/dbraw/zinc/97/94/13/1019979413.db2.gz AQPHGWYOIPLFOC-FQEVSTJZSA-N 0 3 324.424 3.656 20 10 DHCDHN CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765991207 1020101377 /nfs/dbraw/zinc/10/13/77/1020101377.db2.gz BMOAHDFFZHDISP-CZUORRHYSA-N 0 3 310.869 3.644 20 10 DHCDHN C[C@@H](CC1CC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765993029 1020165285 /nfs/dbraw/zinc/16/52/85/1020165285.db2.gz KPEPFHANNYERKX-GUYCJALGSA-N 0 3 322.880 3.788 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000186325962 1020241829 /nfs/dbraw/zinc/24/18/29/1020241829.db2.gz BIVVVKWCZQYEJN-KSMMKXTCSA-N 0 3 316.420 3.873 20 10 DHCDHN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820562 1020288473 /nfs/dbraw/zinc/28/84/73/1020288473.db2.gz LJRZEAZNKBOJCX-MGPUTAFESA-N 0 3 313.441 3.946 20 10 DHCDHN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820566 1020288667 /nfs/dbraw/zinc/28/86/67/1020288667.db2.gz LJRZEAZNKBOJCX-YWZLYKJASA-N 0 3 313.441 3.946 20 10 DHCDHN Cc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000733198966 1020343596 /nfs/dbraw/zinc/34/35/96/1020343596.db2.gz NHDUORAKXJYCCT-UHFFFAOYSA-N 0 3 311.429 3.826 20 10 DHCDHN Cc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000733198966 1020343605 /nfs/dbraw/zinc/34/36/05/1020343605.db2.gz NHDUORAKXJYCCT-UHFFFAOYSA-N 0 3 311.429 3.826 20 10 DHCDHN Cc1ccc(O)c(CNCC(=O)Nc2cccc3ccccc32)c1 ZINC000733328424 1020375950 /nfs/dbraw/zinc/37/59/50/1020375950.db2.gz UQMCGRWJDRGIAA-UHFFFAOYSA-N 0 3 320.392 3.582 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000282701174 1020503985 /nfs/dbraw/zinc/50/39/85/1020503985.db2.gz KWYRSFCXGZVKBA-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN COCc1cc(CNCc2ccc3c(c2)CCCO3)ccc1F ZINC000921710209 1020557958 /nfs/dbraw/zinc/55/79/58/1020557958.db2.gz KLWOADHRJGKSMD-UHFFFAOYSA-N 0 3 315.388 3.587 20 10 DHCDHN COc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])ccn1 ZINC000725845347 1020677904 /nfs/dbraw/zinc/67/79/04/1020677904.db2.gz YKLFTQPUBFHFMP-UHFFFAOYSA-N 0 3 320.392 3.753 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cnc(F)c(C)c2)cc1 ZINC000892614104 1021093959 /nfs/dbraw/zinc/09/39/59/1021093959.db2.gz DVYDVJJCDCTOFE-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000742371360 1021113347 /nfs/dbraw/zinc/11/33/47/1021113347.db2.gz SJAOVSXLSLNENN-COXVUDFISA-N 0 3 322.880 3.788 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](OC)c1ccc(Cl)cc1 ZINC000742376858 1021114343 /nfs/dbraw/zinc/11/43/43/1021114343.db2.gz AXHLMOLKKYKLGR-QGZVFWFLSA-N 0 3 321.804 3.532 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cc(F)ccc1[O-] ZINC000176981531 1021189473 /nfs/dbraw/zinc/18/94/73/1021189473.db2.gz QPXKYWJQGKAZIE-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN CCOCc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000176985659 1021191670 /nfs/dbraw/zinc/19/16/70/1021191670.db2.gz DYOYKVUXOQKOPS-CYBMUJFWSA-N 0 3 303.377 3.919 20 10 DHCDHN COCc1csc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000850098951 1021420259 /nfs/dbraw/zinc/42/02/59/1021420259.db2.gz BYDWRSMXIOHJHG-UHFFFAOYSA-N 0 3 316.470 3.567 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1nccn1C(C)C ZINC000850327963 1021474791 /nfs/dbraw/zinc/47/47/91/1021474791.db2.gz OGJDRCOJTPLAOL-MRXNPFEDSA-N 0 3 314.477 3.559 20 10 DHCDHN COc1ccc(N2CC[C@@H](NCc3cscc3Cl)C2)cc1 ZINC000850346784 1021481542 /nfs/dbraw/zinc/48/15/42/1021481542.db2.gz JZEJYSWRPIJHPH-CYBMUJFWSA-N 0 3 322.861 3.779 20 10 DHCDHN CN(C)c1ccc(/C=C/CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850374971 1021496423 /nfs/dbraw/zinc/49/64/23/1021496423.db2.gz OWQGLNBBXMELNF-BGEOSOQGSA-N 0 3 308.425 3.534 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850388994 1021505666 /nfs/dbraw/zinc/50/56/66/1021505666.db2.gz RIZHLENTKYUKPB-MRXNPFEDSA-N 0 3 311.425 3.557 20 10 DHCDHN Cc1ccc(O)c(CNCc2cc(F)ccc2OC(F)F)c1 ZINC000850408945 1021515513 /nfs/dbraw/zinc/51/55/13/1021515513.db2.gz WCGVOEVSWGVAGF-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN CC1CCN(c2ccc(CN[C@H]3CCCn4nccc43)cc2)CC1 ZINC000850432616 1021529433 /nfs/dbraw/zinc/52/94/33/1021529433.db2.gz CLYPSIRHBFPVMC-IBGZPJMESA-N 0 3 324.472 3.744 20 10 DHCDHN CC[C@H](NCc1c(OC)cccc1OC)c1ccc(C)cc1O ZINC000850504883 1021565553 /nfs/dbraw/zinc/56/55/53/1021565553.db2.gz HMBWYAUDBVPDSH-INIZCTEOSA-N 0 3 315.413 3.959 20 10 DHCDHN Cc1ccncc1CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850508197 1021568662 /nfs/dbraw/zinc/56/86/62/1021568662.db2.gz SBNQVNWHAYERDE-IUODEOHRSA-N 0 3 300.377 3.615 20 10 DHCDHN C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000850523086 1021576040 /nfs/dbraw/zinc/57/60/40/1021576040.db2.gz YBJHUVJQVIIQKB-XHDPSFHLSA-N 0 3 319.351 3.715 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccccc1[O-] ZINC000850536842 1021590462 /nfs/dbraw/zinc/59/04/62/1021590462.db2.gz KHWJOQQWZRXLBN-GOEBONIOSA-N 0 3 301.361 3.576 20 10 DHCDHN C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538910 1021592618 /nfs/dbraw/zinc/59/26/18/1021592618.db2.gz ODTRKGKTKIDVHE-OCCSQVGLSA-N 0 3 324.415 3.728 20 10 DHCDHN C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538910 1021592633 /nfs/dbraw/zinc/59/26/33/1021592633.db2.gz ODTRKGKTKIDVHE-OCCSQVGLSA-N 0 3 324.415 3.728 20 10 DHCDHN CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000850553652 1021599952 /nfs/dbraw/zinc/59/99/52/1021599952.db2.gz AANYIQUINAAYER-AGRHKRQWSA-N 0 3 317.404 3.940 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1cc(F)ccc1OC(F)F)CC2 ZINC000850570300 1021612573 /nfs/dbraw/zinc/61/25/73/1021612573.db2.gz UHNRDBOHEDGOGM-CYBMUJFWSA-N 0 3 323.314 3.910 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccccc1[O-] ZINC000154821169 1021656238 /nfs/dbraw/zinc/65/62/38/1021656238.db2.gz UKVXKGRSDOKNIC-IEBWSBKVSA-N 0 3 312.457 3.606 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccnc(Cl)c1 ZINC000122748972 1022035425 /nfs/dbraw/zinc/03/54/25/1022035425.db2.gz MJMXMKSANZNSSA-ZDUSSCGKSA-N 0 3 303.837 3.960 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1[O-] ZINC000183333119 1022110846 /nfs/dbraw/zinc/11/08/46/1022110846.db2.gz NRIIIBJKVZUVEP-SFHVURJKSA-N 0 3 307.397 3.819 20 10 DHCDHN CCC[N@H+](CCOc1ccccc1F)Cc1ccccc1[O-] ZINC000750875785 1022131191 /nfs/dbraw/zinc/13/11/91/1022131191.db2.gz XZVWENNTONXKOT-UHFFFAOYSA-N 0 3 303.377 3.822 20 10 DHCDHN CCC[N@@H+](CCOc1ccccc1F)Cc1ccccc1[O-] ZINC000750875785 1022131196 /nfs/dbraw/zinc/13/11/96/1022131196.db2.gz XZVWENNTONXKOT-UHFFFAOYSA-N 0 3 303.377 3.822 20 10 DHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCc2sccc2C1 ZINC000183455849 1022147576 /nfs/dbraw/zinc/14/75/76/1022147576.db2.gz QTUNFNUWTZLSSZ-ZIAGYGMSSA-N 0 3 316.470 3.551 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000183517180 1022170191 /nfs/dbraw/zinc/17/01/91/1022170191.db2.gz UQLPIBURRHGGGK-ZBFHGGJFSA-N 0 3 314.404 3.851 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000183538883 1022175610 /nfs/dbraw/zinc/17/56/10/1022175610.db2.gz SRYWTPXNWGHLID-HUUCEWRRSA-N 0 3 307.397 3.990 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c([O-])c1 ZINC000363857611 1022344578 /nfs/dbraw/zinc/34/45/78/1022344578.db2.gz DAFZTYWJRPVLFD-HNNXBMFYSA-N 0 3 321.424 3.952 20 10 DHCDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000854222381 1022433575 /nfs/dbraw/zinc/43/35/75/1022433575.db2.gz FCVZMLWDENATFF-SECBINFHSA-N 0 3 303.233 3.621 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000697824517 1033059202 /nfs/dbraw/zinc/05/92/02/1033059202.db2.gz PIUPDKMSWWJUOJ-HIFRSBDPSA-N 0 3 322.449 3.594 20 10 DHCDHN Cc1ccc(O)c(CNC(C)(C)c2nc3ccccc3n2C)c1 ZINC000185638012 1022509311 /nfs/dbraw/zinc/50/93/11/1022509311.db2.gz LZNDUTZDWXBSQE-UHFFFAOYSA-N 0 3 309.413 3.612 20 10 DHCDHN O=C(C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000180201208 1022661453 /nfs/dbraw/zinc/66/14/53/1022661453.db2.gz KKKJOLLKUUDUIX-QGZVFWFLSA-N 0 3 313.372 3.769 20 10 DHCDHN O=C(C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000180201208 1022661459 /nfs/dbraw/zinc/66/14/59/1022661459.db2.gz KKKJOLLKUUDUIX-QGZVFWFLSA-N 0 3 313.372 3.769 20 10 DHCDHN CCN(Cc1cnc2cccc(C)n12)Cc1ccc(N(C)C)cc1 ZINC000768134928 1022901289 /nfs/dbraw/zinc/90/12/89/1022901289.db2.gz YABLQKKEOVXXMZ-UHFFFAOYSA-N 0 3 322.456 3.731 20 10 DHCDHN CCOc1ccc(O)c(CN(C)Cc2ccc(OC)c(F)c2)c1 ZINC000768200399 1022912637 /nfs/dbraw/zinc/91/26/37/1022912637.db2.gz NLFICSXPHSGLGT-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN CCOc1ccc(C[N@H+](C)CCOc2ccc(C)cc2)c([O-])c1 ZINC000768211861 1022916773 /nfs/dbraw/zinc/91/67/73/1022916773.db2.gz GGQGVIWSKLYCSO-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)CCOc2ccc(C)cc2)c([O-])c1 ZINC000768211861 1022916780 /nfs/dbraw/zinc/91/67/80/1022916780.db2.gz GGQGVIWSKLYCSO-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN CCOc1ccc(C[NH+]2CC(Cc3ccsc3)C2)c([O-])c1 ZINC000857068505 1022940545 /nfs/dbraw/zinc/94/05/45/1022940545.db2.gz WZNXJKCOTTUKEB-UHFFFAOYSA-N 0 3 303.427 3.527 20 10 DHCDHN CCCn1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000768352653 1022950611 /nfs/dbraw/zinc/95/06/11/1022950611.db2.gz QMYVNCWQIIBIOB-UHFFFAOYSA-N 0 3 314.477 3.770 20 10 DHCDHN COc1cc(O)c(CN2Cc3ccccc3[C@H](C)C2)cc1OC ZINC000768443090 1022967122 /nfs/dbraw/zinc/96/71/22/1022967122.db2.gz YSXKASRHNPBQPI-CYBMUJFWSA-N 0 3 313.397 3.529 20 10 DHCDHN COc1cc(O)c(CN2Cc3ccccc3[C@@H](C)C2)cc1OC ZINC000768443093 1022967814 /nfs/dbraw/zinc/96/78/14/1022967814.db2.gz YSXKASRHNPBQPI-ZDUSSCGKSA-N 0 3 313.397 3.529 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1F ZINC000769228993 1023103937 /nfs/dbraw/zinc/10/39/37/1023103937.db2.gz HOHPQSAMKZBBJA-QGZVFWFLSA-N 0 3 313.420 3.578 20 10 DHCDHN Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756607801 1023167552 /nfs/dbraw/zinc/16/75/52/1023167552.db2.gz ILFSPUUVEZMZRR-UONOGXRCSA-N 0 3 303.377 3.958 20 10 DHCDHN CCOc1cccc(CN2CCOC3(C2)CCCCCC3)c1O ZINC000769514441 1023172414 /nfs/dbraw/zinc/17/24/14/1023172414.db2.gz NBCYOABVQGXCNY-UHFFFAOYSA-N 0 3 319.445 3.716 20 10 DHCDHN C[N@H+](CCOc1ccc(F)cc1Cl)Cc1ccccc1[O-] ZINC000769914839 1023232982 /nfs/dbraw/zinc/23/29/82/1023232982.db2.gz ZHNBDWGMGJLENQ-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN C[N@@H+](CCOc1ccc(F)cc1Cl)Cc1ccccc1[O-] ZINC000769914839 1023232991 /nfs/dbraw/zinc/23/29/91/1023232991.db2.gz ZHNBDWGMGJLENQ-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN C[C@@H](N[C@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986274 1023255536 /nfs/dbraw/zinc/25/55/36/1023255536.db2.gz HRLNLHSZNDWPLM-SJKOYZFVSA-N 0 3 317.454 3.717 20 10 DHCDHN C[N@H+](CCc1ccc(Br)cc1)Cc1ccccc1[O-] ZINC000770510087 1023315956 /nfs/dbraw/zinc/31/59/56/1023315956.db2.gz IVYREBAXEXJIAX-UHFFFAOYSA-N 0 3 320.230 3.829 20 10 DHCDHN C[N@@H+](CCc1ccc(Br)cc1)Cc1ccccc1[O-] ZINC000770510087 1023315963 /nfs/dbraw/zinc/31/59/63/1023315963.db2.gz IVYREBAXEXJIAX-UHFFFAOYSA-N 0 3 320.230 3.829 20 10 DHCDHN COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1[O-] ZINC000771841400 1023473907 /nfs/dbraw/zinc/47/39/07/1023473907.db2.gz WFKFZMJQXKEZAQ-UHFFFAOYSA-N 0 3 320.392 3.753 20 10 DHCDHN CCOCc1cc(CNCc2cscc2C)ccc1OC ZINC000785523192 1023587142 /nfs/dbraw/zinc/58/71/42/1023587142.db2.gz VKMPCAIUWKRVKS-UHFFFAOYSA-N 0 3 305.443 3.891 20 10 DHCDHN CN(C)c1ccc(CN2CC(c3nc4ccccc4s3)C2)cc1 ZINC000785770195 1023617846 /nfs/dbraw/zinc/61/78/46/1023617846.db2.gz WYYZQLXQNYLRKH-UHFFFAOYSA-N 0 3 323.465 3.962 20 10 DHCDHN CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876937416 1033187172 /nfs/dbraw/zinc/18/71/72/1033187172.db2.gz VVARHRWLPCMBEL-UHFFFAOYSA-N 0 3 312.413 3.729 20 10 DHCDHN CC1(C)C[C@H]([NH2+]Cc2ccccc2[O-])c2ccc(F)cc2O1 ZINC000268801127 1024164102 /nfs/dbraw/zinc/16/41/02/1024164102.db2.gz BCIPPTDCZWGTCO-HNNXBMFYSA-N 0 3 301.361 3.923 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)COC2 ZINC000269048699 1024229695 /nfs/dbraw/zinc/22/96/95/1024229695.db2.gz VIFMWVWORUAHKR-CYBMUJFWSA-N 0 3 314.404 3.773 20 10 DHCDHN O=C(c1cccc2c1CCNC2)N(CC1CCC1)c1ccccc1 ZINC000662638038 1024290588 /nfs/dbraw/zinc/29/05/88/1024290588.db2.gz XFUFPQLYHLFSAD-UHFFFAOYSA-N 0 3 320.436 3.779 20 10 DHCDHN COc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000883331289 1024385352 /nfs/dbraw/zinc/38/53/52/1024385352.db2.gz VPCDEOXIEGAXAS-CJNGLKHVSA-N 0 3 313.397 3.965 20 10 DHCDHN COc1cccc2c1OCCC[C@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000883331290 1024385568 /nfs/dbraw/zinc/38/55/68/1024385568.db2.gz VPCDEOXIEGAXAS-CZUORRHYSA-N 0 3 313.397 3.965 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000877063199 1033223156 /nfs/dbraw/zinc/22/31/56/1033223156.db2.gz GFTDFHPKPHWIBH-CRAIPNDOSA-N 0 3 321.367 3.581 20 10 DHCDHN CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccccc1[O-] ZINC001170417678 1024767162 /nfs/dbraw/zinc/76/71/62/1024767162.db2.gz MHYIZZSQZBGQFG-UKRRQHHQSA-N 0 3 313.397 3.793 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792900126 1024827175 /nfs/dbraw/zinc/82/71/75/1024827175.db2.gz DSIIBWCTLDCKAB-LSDHHAIUSA-N 0 3 313.272 3.768 20 10 DHCDHN C[C@H](NCc1cc(O)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000893684598 1024945040 /nfs/dbraw/zinc/94/50/40/1024945040.db2.gz RLHTYYODRLNCGC-LBPRGKRZSA-N 0 3 304.821 3.962 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)CCc2ccccc2F)c([O-])c1 ZINC000793385987 1025026993 /nfs/dbraw/zinc/02/69/93/1025026993.db2.gz FMYLHRHGROQDHC-CYBMUJFWSA-N 0 3 303.377 3.651 20 10 DHCDHN Cc1ccc([C@@H](C[NH2+]Cc2c(C)cccc2[O-])N2CCCC2)o1 ZINC000877146898 1033258417 /nfs/dbraw/zinc/25/84/17/1033258417.db2.gz LXBRKORPONOMLZ-QGZVFWFLSA-N 0 3 314.429 3.529 20 10 DHCDHN Cc1cccc(O)c1CNCc1cc(Cl)cc2c1OCC2 ZINC000877335541 1033287401 /nfs/dbraw/zinc/28/74/01/1033287401.db2.gz XWCHTJKYPOSZJM-UHFFFAOYSA-N 0 3 303.789 3.579 20 10 DHCDHN CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(C)cc1[O-] ZINC000279935383 1025512866 /nfs/dbraw/zinc/51/28/66/1025512866.db2.gz AYAYAYPWGOPYKH-KRWDZBQOSA-N 0 3 312.413 3.770 20 10 DHCDHN C[C@H]([NH2+]Cc1ccccc1OCC(F)F)c1ccccc1[O-] ZINC000886185686 1025552662 /nfs/dbraw/zinc/55/26/62/1025552662.db2.gz DLUJQROQRRIPJT-LBPRGKRZSA-N 0 3 307.340 3.887 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1cnn(CC(C)C)c1 ZINC000355121111 1025609132 /nfs/dbraw/zinc/60/91/32/1025609132.db2.gz KZAVPFWQBRYBIV-UHFFFAOYSA-N 0 3 310.445 3.629 20 10 DHCDHN Cc1noc(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000068966714 1025663937 /nfs/dbraw/zinc/66/39/37/1025663937.db2.gz VFTIUBWUANFOJU-UHFFFAOYSA-N 0 3 323.396 3.616 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000248623122 1025982009 /nfs/dbraw/zinc/98/20/09/1025982009.db2.gz BIVVVKWCZQYEJN-CKFHNAJUSA-N 0 3 316.420 3.873 20 10 DHCDHN CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746301 1026032903 /nfs/dbraw/zinc/03/29/03/1026032903.db2.gz XUVROCXAAGXUQT-ZDUSSCGKSA-N 0 3 310.869 3.817 20 10 DHCDHN COc1cc(F)cc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090972283 1026093531 /nfs/dbraw/zinc/09/35/31/1026093531.db2.gz DAGJUFABGHLWBI-CYBMUJFWSA-N 0 3 302.393 3.751 20 10 DHCDHN COc1ccc(C)cc1[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894153856 1026198690 /nfs/dbraw/zinc/19/86/90/1026198690.db2.gz OBCHECDYBLQBMS-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN COc1ccc(CNCc2ccc(OC)c(OC)c2C)cc1C ZINC000808386146 1026277270 /nfs/dbraw/zinc/27/72/70/1026277270.db2.gz XTOVGACTZTZLMC-UHFFFAOYSA-N 0 3 315.413 3.619 20 10 DHCDHN COc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1C ZINC000290057785 1026304699 /nfs/dbraw/zinc/30/46/99/1026304699.db2.gz GXYZKGIOSCBDCV-GOSISDBHSA-N 0 3 316.420 3.535 20 10 DHCDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000808688173 1026349599 /nfs/dbraw/zinc/34/95/99/1026349599.db2.gz PFTXLDQTGOASSP-INIZCTEOSA-N 0 3 313.372 3.546 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccccc2O)c1[O-] ZINC000808689395 1026350395 /nfs/dbraw/zinc/35/03/95/1026350395.db2.gz BOHZNYMUFNWYTA-LBPRGKRZSA-N 0 3 305.805 3.953 20 10 DHCDHN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])[nH]n1 ZINC000808706208 1026357407 /nfs/dbraw/zinc/35/74/07/1026357407.db2.gz FFJYXIHSBIFWRA-PWSUYJOCSA-N 0 3 307.825 3.667 20 10 DHCDHN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n[nH]1 ZINC000808706208 1026357420 /nfs/dbraw/zinc/35/74/20/1026357420.db2.gz FFJYXIHSBIFWRA-PWSUYJOCSA-N 0 3 307.825 3.667 20 10 DHCDHN CCOC(CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])OCC ZINC000808714805 1026362375 /nfs/dbraw/zinc/36/23/75/1026362375.db2.gz CGBBFFLLDCEQSB-GFCCVEGCSA-N 0 3 315.841 3.794 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)c1[O-] ZINC000808715852 1026364450 /nfs/dbraw/zinc/36/44/50/1026364450.db2.gz XQZVSJZNQSNGPS-YGRLFVJLSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)N[C@@H](CO)c2ccsc2)c1O ZINC000808715852 1026364456 /nfs/dbraw/zinc/36/44/56/1026364456.db2.gz XQZVSJZNQSNGPS-YGRLFVJLSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c1[O-] ZINC000808718176 1026364481 /nfs/dbraw/zinc/36/44/81/1026364481.db2.gz QCFWXHVNDAAXMJ-LBPRGKRZSA-N 0 3 319.836 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CSCCS2)c1[O-] ZINC000808702259 1026374758 /nfs/dbraw/zinc/37/47/58/1026374758.db2.gz URDAVAWXYLCULP-JQWIXIFHSA-N 0 3 317.907 3.853 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000280038374 1026576804 /nfs/dbraw/zinc/57/68/04/1026576804.db2.gz IQQSMYFCYYHPHX-SJKOYZFVSA-N 0 3 302.418 3.977 20 10 DHCDHN COc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809655581 1026583045 /nfs/dbraw/zinc/58/30/45/1026583045.db2.gz MPFBBLAFKKPOQS-LJQANCHMSA-N 0 3 313.441 3.853 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809738007 1026611324 /nfs/dbraw/zinc/61/13/24/1026611324.db2.gz PBCNYWMPHDVWNO-UHFFFAOYSA-N 0 3 301.361 3.649 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809738007 1026611325 /nfs/dbraw/zinc/61/13/25/1026611325.db2.gz PBCNYWMPHDVWNO-UHFFFAOYSA-N 0 3 301.361 3.649 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c([O-])c1 ZINC000809737788 1026611466 /nfs/dbraw/zinc/61/14/66/1026611466.db2.gz LGWLOTFEKMEJQH-UHFFFAOYSA-N 0 3 312.413 3.566 20 10 DHCDHN CN(C)c1ccc(CNC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000280498358 1026656628 /nfs/dbraw/zinc/65/66/28/1026656628.db2.gz FVPQASZCIGCDGM-UHFFFAOYSA-N 0 3 308.294 3.659 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214304 1026707863 /nfs/dbraw/zinc/70/78/63/1026707863.db2.gz UXSDZBLWOXMJOT-SMDDNHRTSA-N 0 3 318.383 3.792 20 10 DHCDHN CCCN(CC)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000810261837 1026719831 /nfs/dbraw/zinc/71/98/31/1026719831.db2.gz KSCKOWYKBGVYQH-GZBFAFLISA-N 0 3 308.441 3.790 20 10 DHCDHN CC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])OC ZINC000810260182 1026720428 /nfs/dbraw/zinc/72/04/28/1026720428.db2.gz GTMIVRBOSVLAMS-CMPLNLGQSA-N 0 3 316.239 3.539 20 10 DHCDHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)[C@@H]1[C@@H]1CCCO1 ZINC000811510692 1027027230 /nfs/dbraw/zinc/02/72/30/1027027230.db2.gz MZJJXZZXTYKHIM-RBUKOAKNSA-N 0 3 311.425 3.935 20 10 DHCDHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@@H]1[C@@H]1CCCO1 ZINC000811510692 1027027233 /nfs/dbraw/zinc/02/72/33/1027027233.db2.gz MZJJXZZXTYKHIM-RBUKOAKNSA-N 0 3 311.425 3.935 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1[O-] ZINC001170671651 1027210809 /nfs/dbraw/zinc/21/08/09/1027210809.db2.gz DZLSCWOLLSZNLY-SMDDNHRTSA-N 0 3 303.352 3.879 20 10 DHCDHN C[C@H](NCc1cccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000295855934 1027461726 /nfs/dbraw/zinc/46/17/26/1027461726.db2.gz BGGXDGYSLOBPHW-VIFPVBQESA-N 0 3 314.282 3.796 20 10 DHCDHN C[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCc2sccc21 ZINC000296230441 1027581824 /nfs/dbraw/zinc/58/18/24/1027581824.db2.gz AGPUGLYOLGWZSH-RDTXWAMCSA-N 0 3 315.438 3.519 20 10 DHCDHN Cn1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)c(-c2ccccc2)n1 ZINC000296238085 1027584742 /nfs/dbraw/zinc/58/47/42/1027584742.db2.gz ARNJMYBEPJFXKT-KRWDZBQOSA-N 0 3 319.408 3.570 20 10 DHCDHN C[N@H+](Cc1ccc(Br)cc1)Cc1cc(F)ccc1[O-] ZINC000778992949 1027739478 /nfs/dbraw/zinc/73/94/78/1027739478.db2.gz MICOKXQFGAYERI-UHFFFAOYSA-N 0 3 324.193 3.926 20 10 DHCDHN C[N@@H+](Cc1ccc(Br)cc1)Cc1cc(F)ccc1[O-] ZINC000778992949 1027739496 /nfs/dbraw/zinc/73/94/96/1027739496.db2.gz MICOKXQFGAYERI-UHFFFAOYSA-N 0 3 324.193 3.926 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000779001284 1027751190 /nfs/dbraw/zinc/75/11/90/1027751190.db2.gz DZVRXESVPUHIBI-ICSRJNTNSA-N 0 3 311.425 3.992 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000779001284 1027751206 /nfs/dbraw/zinc/75/12/06/1027751206.db2.gz DZVRXESVPUHIBI-ICSRJNTNSA-N 0 3 311.425 3.992 20 10 DHCDHN COc1ccc(O)c(CNCc2ccsc2C(F)(F)F)c1 ZINC000527659865 1027808314 /nfs/dbraw/zinc/80/83/14/1027808314.db2.gz NDCLSTJLTCPGGE-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000527766723 1027887827 /nfs/dbraw/zinc/88/78/27/1027887827.db2.gz PYHUSGXMTVYVTN-XLIONFOSSA-N 0 3 309.409 3.716 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1[C@H]3Cc4cc(Cl)ccc4[C@@H]13)CC2 ZINC000527943278 1027978369 /nfs/dbraw/zinc/97/83/69/1027978369.db2.gz NRKVVBYHUVRJEC-OSGQAZFXSA-N 0 3 311.812 3.961 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814301454 1028004066 /nfs/dbraw/zinc/00/40/66/1028004066.db2.gz TVYNQAKDSNQNQG-CTYIDZIISA-N 0 3 301.361 3.576 20 10 DHCDHN COc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000527990548 1028014001 /nfs/dbraw/zinc/01/40/01/1028014001.db2.gz OWHMCTBQQLEIKW-LBPRGKRZSA-N 0 3 320.820 3.651 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)c2c1c(F)ccc2[O-] ZINC000528004087 1028033513 /nfs/dbraw/zinc/03/35/13/1028033513.db2.gz VDEFZUAQBJEKND-INWMFGNUSA-N 0 3 318.436 3.686 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1[O-] ZINC000528007319 1028036557 /nfs/dbraw/zinc/03/65/57/1028036557.db2.gz ZCSSLJZMFDYFAQ-QZTJIDSGSA-N 0 3 324.424 3.568 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C2CC2)cn1 ZINC000528044187 1028071858 /nfs/dbraw/zinc/07/18/58/1028071858.db2.gz RYRNYXVOINNNSQ-BFUOFWGJSA-N 0 3 312.413 3.906 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C2CC2)cn1 ZINC000528044191 1028074149 /nfs/dbraw/zinc/07/41/49/1028074149.db2.gz RYRNYXVOINNNSQ-ORAYPTAESA-N 0 3 312.413 3.906 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000367295579 1028159845 /nfs/dbraw/zinc/15/98/45/1028159845.db2.gz QPQKIXCQXUUHDY-WBVHZDCISA-N 0 3 311.429 3.672 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000367295579 1028159850 /nfs/dbraw/zinc/15/98/50/1028159850.db2.gz QPQKIXCQXUUHDY-WBVHZDCISA-N 0 3 311.429 3.672 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000779091897 1028226206 /nfs/dbraw/zinc/22/62/06/1028226206.db2.gz YZFHDZAZAJZZMV-JQWIXIFHSA-N 0 3 305.315 3.990 20 10 DHCDHN CCOc1cccc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)c1O ZINC000367958431 1028264255 /nfs/dbraw/zinc/26/42/55/1028264255.db2.gz QYWZZCNUKLBLCQ-GTNSWQLSSA-N 0 3 317.360 3.542 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(c2nccs2)CC1 ZINC000368028634 1028284082 /nfs/dbraw/zinc/28/40/82/1028284082.db2.gz FEDOFBLEAYHTFX-OAHLLOKOSA-N 0 3 317.458 3.512 20 10 DHCDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779107280 1028284355 /nfs/dbraw/zinc/28/43/55/1028284355.db2.gz XNBJZEHYTSCIKB-PIGZYNQJSA-N 0 3 307.340 3.536 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(c2nccs2)CC1 ZINC000368028634 1028284096 /nfs/dbraw/zinc/28/40/96/1028284096.db2.gz FEDOFBLEAYHTFX-OAHLLOKOSA-N 0 3 317.458 3.512 20 10 DHCDHN COCCN(Cc1cccs1)Cc1ccc(N(C)C)c(C)c1 ZINC000815010992 1028326114 /nfs/dbraw/zinc/32/61/14/1028326114.db2.gz WCPSRODVQBAEGP-UHFFFAOYSA-N 0 3 318.486 3.771 20 10 DHCDHN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815159144 1028387036 /nfs/dbraw/zinc/38/70/36/1028387036.db2.gz KAKNAYXOWQHAFU-MGPUTAFESA-N 0 3 311.425 3.700 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815146701 1028401560 /nfs/dbraw/zinc/40/15/60/1028401560.db2.gz JGOBHINULKGWGM-CYBMUJFWSA-N 0 3 311.360 3.568 20 10 DHCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cc(CO)ccc1F ZINC000528488639 1028490569 /nfs/dbraw/zinc/49/05/69/1028490569.db2.gz NHMUPMINXCCSGU-UHFFFAOYSA-N 0 3 317.404 3.826 20 10 DHCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cc(CO)ccc1F ZINC000528488639 1028490582 /nfs/dbraw/zinc/49/05/82/1028490582.db2.gz NHMUPMINXCCSGU-UHFFFAOYSA-N 0 3 317.404 3.826 20 10 DHCDHN COC[C@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815566378 1028546641 /nfs/dbraw/zinc/54/66/41/1028546641.db2.gz RPXPWDSQUGKGJC-APWZRJJASA-N 0 3 313.441 3.938 20 10 DHCDHN CCC[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815578920 1028551003 /nfs/dbraw/zinc/55/10/03/1028551003.db2.gz ABFVUTAZPPZOPM-MJGOQNOKSA-N 0 3 313.441 3.817 20 10 DHCDHN CC(C)[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815580573 1028553825 /nfs/dbraw/zinc/55/38/25/1028553825.db2.gz MRMGHWZHVNZWDG-AZUAARDMSA-N 0 3 313.441 3.673 20 10 DHCDHN CC[C@@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815589411 1028558501 /nfs/dbraw/zinc/55/85/01/1028558501.db2.gz RLDYFLLTSICANP-MJGOQNOKSA-N 0 3 313.441 3.817 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCSCC[C@@H]3C)c2c1 ZINC000189910181 1028709079 /nfs/dbraw/zinc/70/90/79/1028709079.db2.gz KUDKELHESUMTIB-ZDUSSCGKSA-N 0 3 317.454 3.881 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCSCC[C@@H]3C)c2c1 ZINC000189910181 1028709093 /nfs/dbraw/zinc/70/90/93/1028709093.db2.gz KUDKELHESUMTIB-ZDUSSCGKSA-N 0 3 317.454 3.881 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Sc2ccccn2)CC1 ZINC000371528781 1028724912 /nfs/dbraw/zinc/72/49/12/1028724912.db2.gz NYXURJDMMFWAAB-UHFFFAOYSA-N 0 3 318.417 3.683 20 10 DHCDHN CC[C@]1(C)C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000190343878 1028904550 /nfs/dbraw/zinc/90/45/50/1028904550.db2.gz QFURPWHYBWGSLA-LJQANCHMSA-N 0 3 315.413 3.555 20 10 DHCDHN CC[C@]1(C)C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000190343878 1028904562 /nfs/dbraw/zinc/90/45/62/1028904562.db2.gz QFURPWHYBWGSLA-LJQANCHMSA-N 0 3 315.413 3.555 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1[O-] ZINC000816649798 1028975430 /nfs/dbraw/zinc/97/54/30/1028975430.db2.gz KZDNGPJIWRFSTQ-BBRMVZONSA-N 0 3 317.816 3.948 20 10 DHCDHN [O-]c1c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816666936 1028985629 /nfs/dbraw/zinc/98/56/29/1028985629.db2.gz YKYZDAGNNXTWQE-PMACEKPBSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816666936 1028985647 /nfs/dbraw/zinc/98/56/47/1028985647.db2.gz YKYZDAGNNXTWQE-PMACEKPBSA-N 0 3 309.409 3.689 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccccc1[O-] ZINC000155205107 1029194193 /nfs/dbraw/zinc/19/41/93/1029194193.db2.gz ZOEDCDBKKKUDHD-GOSISDBHSA-N 0 3 315.413 3.658 20 10 DHCDHN Cc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc(C)n1 ZINC000817588407 1029217728 /nfs/dbraw/zinc/21/77/28/1029217728.db2.gz FEDNSTRIIHOWEW-MEBBXXQBSA-N 0 3 300.377 3.881 20 10 DHCDHN Cc1c([C@@H](C)NCc2ccc(N(C)C)cc2)cnn1C(C)C ZINC000191129547 1029299562 /nfs/dbraw/zinc/29/95/62/1029299562.db2.gz QUJFNAOLOIIYBP-CQSZACIVSA-N 0 3 300.450 3.689 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1[O-] ZINC000817967213 1029308360 /nfs/dbraw/zinc/30/83/60/1029308360.db2.gz FQAUKAVIWUORKA-GTNSWQLSSA-N 0 3 300.377 3.842 20 10 DHCDHN CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)c2cc(N)ccc2O1 ZINC000817974840 1029309749 /nfs/dbraw/zinc/30/97/49/1029309749.db2.gz GEEIYUJJEVOEQA-HZPDHXFCSA-N 0 3 324.424 3.854 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000817975499 1029313652 /nfs/dbraw/zinc/31/36/52/1029313652.db2.gz VRHCBOQMYZGXDU-RBUKOAKNSA-N 0 3 310.441 3.628 20 10 DHCDHN Cc1cc(N)cc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000817980806 1029317507 /nfs/dbraw/zinc/31/75/07/1029317507.db2.gz NUAMKLSWFWQDEU-NHYWBVRUSA-N 0 3 300.377 3.760 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccccc1[O-] ZINC000156065347 1029369577 /nfs/dbraw/zinc/36/95/77/1029369577.db2.gz OIRAXDCWECLESV-KDOFPFPSSA-N 0 3 315.413 3.909 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000529643710 1029479345 /nfs/dbraw/zinc/47/93/45/1029479345.db2.gz SYRGQOXYOAIUSQ-USXIJHARSA-N 0 3 303.764 3.613 20 10 DHCDHN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000530215876 1029785292 /nfs/dbraw/zinc/78/52/92/1029785292.db2.gz JVPFICWXZCAEPV-OTYXRUKQSA-N 0 3 315.244 3.634 20 10 DHCDHN COCC(C)(C)CCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000290407481 1030037485 /nfs/dbraw/zinc/03/74/85/1030037485.db2.gz JUZLRVHVLDBAER-UHFFFAOYSA-N 0 3 315.841 3.597 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c([O-])c1 ZINC000866484977 1030320032 /nfs/dbraw/zinc/32/00/32/1030320032.db2.gz BZEJPLNCNGFHRQ-NEPJUHHUSA-N 0 3 312.369 3.959 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000866539613 1030360655 /nfs/dbraw/zinc/36/06/55/1030360655.db2.gz DWTQYXIDSXEJJA-NSHDSACASA-N 0 3 304.321 3.599 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(CO)c1 ZINC000729686711 1030417615 /nfs/dbraw/zinc/41/76/15/1030417615.db2.gz XZZCTWJMLXNIRD-UHFFFAOYSA-N 0 3 319.404 3.841 20 10 DHCDHN COC[C@@H]1CCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824433766 1030551880 /nfs/dbraw/zinc/55/18/80/1030551880.db2.gz NPGOYZZFSHGZRC-KRWDZBQOSA-N 0 3 316.470 3.605 20 10 DHCDHN Cc1ccncc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000824910319 1030665082 /nfs/dbraw/zinc/66/50/82/1030665082.db2.gz UNRUWDPCIWSNRV-UHFFFAOYSA-N 0 3 323.362 3.765 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1[O-] ZINC000824942078 1030676946 /nfs/dbraw/zinc/67/69/46/1030676946.db2.gz VROLLFJJLLXLGW-ZBFHGGJFSA-N 0 3 307.821 3.675 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1[O-] ZINC000824942078 1030676953 /nfs/dbraw/zinc/67/69/53/1030676953.db2.gz VROLLFJJLLXLGW-ZBFHGGJFSA-N 0 3 307.821 3.675 20 10 DHCDHN CO[C@H]([C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000825098382 1030710107 /nfs/dbraw/zinc/71/01/07/1030710107.db2.gz HXSSBYGRDKRXTA-JLTOFOAXSA-N 0 3 311.425 3.962 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cc(F)ccc1[O-] ZINC000926918928 1030993121 /nfs/dbraw/zinc/99/31/21/1030993121.db2.gz JVUWNQHPSKGCQO-NWDGAFQWSA-N 0 3 301.361 3.706 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c(C)c1OC ZINC000927126331 1031107856 /nfs/dbraw/zinc/10/78/56/1031107856.db2.gz WXIIOHLCRTYHBU-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN CCc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)cc(CC)c1O ZINC001144150327 1031286336 /nfs/dbraw/zinc/28/63/36/1031286336.db2.gz HBWFRSKJSRPBAU-UHFFFAOYSA-N 0 3 311.425 3.781 20 10 DHCDHN CCc1cc(C[N@H+]2CCc3cccc([O-])c3C2)cc(CC)c1O ZINC001144150327 1031286356 /nfs/dbraw/zinc/28/63/56/1031286356.db2.gz HBWFRSKJSRPBAU-UHFFFAOYSA-N 0 3 311.425 3.781 20 10 DHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H](C)CO1 ZINC000844732728 1031323186 /nfs/dbraw/zinc/32/31/86/1031323186.db2.gz RILFYYCZEFEQPC-DZGCQCFKSA-N 0 3 315.413 3.553 20 10 DHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H](C)CO1 ZINC000844732728 1031323200 /nfs/dbraw/zinc/32/32/00/1031323200.db2.gz RILFYYCZEFEQPC-DZGCQCFKSA-N 0 3 315.413 3.553 20 10 DHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H](C)CO1 ZINC000844732731 1031323300 /nfs/dbraw/zinc/32/33/00/1031323300.db2.gz RILFYYCZEFEQPC-ZFWWWQNUSA-N 0 3 315.413 3.553 20 10 DHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H](C)CO1 ZINC000844732731 1031323308 /nfs/dbraw/zinc/32/33/08/1031323308.db2.gz RILFYYCZEFEQPC-ZFWWWQNUSA-N 0 3 315.413 3.553 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2nccnc2C)c1O ZINC000872134053 1031527898 /nfs/dbraw/zinc/52/78/98/1031527898.db2.gz QUBKFYDKRMNBGB-ZYHUDNBSSA-N 0 3 305.809 3.864 20 10 DHCDHN C[N@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1[O-] ZINC001144416845 1031557769 /nfs/dbraw/zinc/55/77/69/1031557769.db2.gz UKDYUKONAKWRER-UHFFFAOYSA-N 0 3 301.777 3.554 20 10 DHCDHN C[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1[O-] ZINC001144416845 1031557775 /nfs/dbraw/zinc/55/77/75/1031557775.db2.gz UKDYUKONAKWRER-UHFFFAOYSA-N 0 3 301.777 3.554 20 10 DHCDHN CN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000293758327 1031606111 /nfs/dbraw/zinc/60/61/11/1031606111.db2.gz OTMVCSIEKSJJNB-HXUWFJFHSA-N 0 3 324.468 3.750 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cc(F)ccc1[O-] ZINC000873238405 1031769685 /nfs/dbraw/zinc/76/96/85/1031769685.db2.gz ZNSQXANGFRYNDM-QWHCGFSZSA-N 0 3 300.377 3.781 20 10 DHCDHN CC[C@H](N[C@H](c1ccccc1F)[C@@H](C)O)c1ccccc1O ZINC000846013572 1031808380 /nfs/dbraw/zinc/80/83/80/1031808380.db2.gz MUPSIFBFPPZXDI-PUECVXPYSA-N 0 3 303.377 3.694 20 10 DHCDHN CC[C@H]([NH2+][C@H](c1ccccc1F)[C@@H](C)O)c1ccccc1[O-] ZINC000846013572 1031808399 /nfs/dbraw/zinc/80/83/99/1031808399.db2.gz MUPSIFBFPPZXDI-PUECVXPYSA-N 0 3 303.377 3.694 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1[O-] ZINC000846035899 1031828157 /nfs/dbraw/zinc/82/81/57/1031828157.db2.gz VDUFFSVDUMINET-KGLIPLIRSA-N 0 3 322.207 3.849 20 10 DHCDHN CC[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000846043377 1031837499 /nfs/dbraw/zinc/83/74/99/1031837499.db2.gz ANVSMLUNBNTCII-AWEZNQCLSA-N 0 3 303.333 3.501 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846117934 1031867167 /nfs/dbraw/zinc/86/71/67/1031867167.db2.gz RMLJBUKZFTXSOJ-IHPCNDPISA-N 0 3 309.409 3.887 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846117934 1031867188 /nfs/dbraw/zinc/86/71/88/1031867188.db2.gz RMLJBUKZFTXSOJ-IHPCNDPISA-N 0 3 309.409 3.887 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H]2CCOc3c(F)cccc32)c1O ZINC000846165889 1031893647 /nfs/dbraw/zinc/89/36/47/1031893647.db2.gz PFKJMSOBYFBRCR-ABAIWWIYSA-N 0 3 317.360 3.714 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H](C)c2cc(F)ccc2OC)c1O ZINC000846140640 1031900639 /nfs/dbraw/zinc/90/06/39/1031900639.db2.gz BURPAXJMQPSXPQ-VXGBXAGGSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H]2CSc3ccccc32)c1O ZINC000846142748 1031904206 /nfs/dbraw/zinc/90/42/06/1031904206.db2.gz CHGHAKXRQMXECN-BXUZGUMPSA-N 0 3 301.411 3.898 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C(F)F)nc2)c1 ZINC000877532339 1033341114 /nfs/dbraw/zinc/34/11/14/1033341114.db2.gz DZBDFCCSRZZXHO-JTQLQIEISA-N 0 3 308.328 3.584 20 10 DHCDHN COCC1(C2CC2)C[NH+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000877685586 1033411771 /nfs/dbraw/zinc/41/17/71/1033411771.db2.gz BVJCJTUOKGTTDE-UHFFFAOYSA-N 0 3 323.436 3.918 20 10 DHCDHN C[C@@H](NCc1cccc(F)c1OC(F)F)c1ccccc1O ZINC000877755547 1033431508 /nfs/dbraw/zinc/43/15/08/1033431508.db2.gz DWVIQVOZLWGFDG-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1[O-] ZINC000877755547 1033431515 /nfs/dbraw/zinc/43/15/15/1033431515.db2.gz DWVIQVOZLWGFDG-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN CCOCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877755664 1033433282 /nfs/dbraw/zinc/43/32/82/1033433282.db2.gz KTTFVQADFFCUOS-CQSZACIVSA-N 0 3 301.386 3.616 20 10 DHCDHN CCN(CC)c1ncc(C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000877757187 1033434592 /nfs/dbraw/zinc/43/45/92/1033434592.db2.gz MJTIQKQREBRFIM-LBPRGKRZSA-N 0 3 305.447 3.546 20 10 DHCDHN CCOCc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000877756572 1033434704 /nfs/dbraw/zinc/43/47/04/1033434704.db2.gz UCXYTKZMZRBPGP-CQSZACIVSA-N 0 3 315.413 3.788 20 10 DHCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1SC ZINC000877756317 1033434909 /nfs/dbraw/zinc/43/49/09/1033434909.db2.gz GZNVZJKKKYUQBT-GFCCVEGCSA-N 0 3 303.427 3.974 20 10 DHCDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172951539 1033493356 /nfs/dbraw/zinc/49/33/56/1033493356.db2.gz SYRHZAQERMOIPQ-KBPBESRZSA-N 0 3 322.449 3.688 20 10 DHCDHN C[C@]1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCS1 ZINC000862212090 1033778911 /nfs/dbraw/zinc/77/89/11/1033778911.db2.gz GMNYWQMXVDUDSV-FUHWJXTLSA-N 0 3 321.486 3.659 20 10 DHCDHN C[C@]1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCS1 ZINC000862212090 1033778922 /nfs/dbraw/zinc/77/89/22/1033778922.db2.gz GMNYWQMXVDUDSV-FUHWJXTLSA-N 0 3 321.486 3.659 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(C)cc1 ZINC000879650224 1034075768 /nfs/dbraw/zinc/07/57/68/1034075768.db2.gz QJHDIRWPYGSJEC-RHSMWYFYSA-N 0 3 312.413 3.769 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccnn2C)ccc1N1CCCCC1 ZINC000879686541 1034086687 /nfs/dbraw/zinc/08/66/87/1034086687.db2.gz CUXLQLPDJYPMEM-INIZCTEOSA-N 0 3 312.461 3.570 20 10 DHCDHN CC[C@H](NCc1ccc(N(CC)CC)cc1)c1cnn(C)c1 ZINC000178228033 1034221136 /nfs/dbraw/zinc/22/11/36/1034221136.db2.gz ZHBIDTITWUAOAT-SFHVURJKSA-N 0 3 300.450 3.507 20 10 DHCDHN COc1cccc(CN2CCSC[C@@H]2c2ccccc2)c1O ZINC000128380561 1034310037 /nfs/dbraw/zinc/31/00/37/1034310037.db2.gz XOCNEBJQJZVTDJ-MRXNPFEDSA-N 0 3 315.438 3.691 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000183331149 1034374240 /nfs/dbraw/zinc/37/42/40/1034374240.db2.gz PXRNJFJTXHYEOH-DOTOQJQBSA-N 0 3 305.805 3.820 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000183379222 1034379748 /nfs/dbraw/zinc/37/97/48/1034379748.db2.gz IPIVPVAPQKCYLI-NVXWUHKLSA-N 0 3 314.429 3.863 20 10 DHCDHN CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccco1 ZINC000183468457 1034389753 /nfs/dbraw/zinc/38/97/53/1034389753.db2.gz RVECJWVRCCSWLP-GOEBONIOSA-N 0 3 302.418 3.719 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000794801757 1034472829 /nfs/dbraw/zinc/47/28/29/1034472829.db2.gz KYRCLDCETOJECI-CWLKWCNXSA-N 0 3 303.446 3.945 20 10 DHCDHN CC[C@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccc(C)cc1[O-] ZINC000794811679 1034518879 /nfs/dbraw/zinc/51/88/79/1034518879.db2.gz XUPYHMUDCRKNIH-KRWDZBQOSA-N 0 3 301.434 3.775 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000794814761 1034524942 /nfs/dbraw/zinc/52/49/42/1034524942.db2.gz IMRYFUHXAINBCW-HTAPYJJXSA-N 0 3 317.454 3.679 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(C)cc1[O-] ZINC000794814769 1034525667 /nfs/dbraw/zinc/52/56/67/1034525667.db2.gz ITZCZPNRAHJMLC-HNNXBMFYSA-N 0 3 320.820 3.869 20 10 DHCDHN CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817138 1034533630 /nfs/dbraw/zinc/53/36/30/1034533630.db2.gz PKLNUVMHKGSZBY-HKUYNNGSSA-N 0 3 317.404 3.788 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(C)cc1[O-] ZINC000794819204 1034538575 /nfs/dbraw/zinc/53/85/75/1034538575.db2.gz YKIBMYDRMWZOOR-WBVHZDCISA-N 0 3 319.445 3.817 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(C)cc1[O-] ZINC000794819201 1034538892 /nfs/dbraw/zinc/53/88/92/1034538892.db2.gz YKIBMYDRMWZOOR-RDJZCZTQSA-N 0 3 319.445 3.817 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185346245 1034542295 /nfs/dbraw/zinc/54/22/95/1034542295.db2.gz SQWBCVKAGYNZDJ-RYUDHWBXSA-N 0 3 307.825 3.537 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1F ZINC000185383318 1034545511 /nfs/dbraw/zinc/54/55/11/1034545511.db2.gz XHSPIBVLHYLVJS-LLVKDONJSA-N 0 3 307.340 3.920 20 10 DHCDHN CCOc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1OC ZINC000185453144 1034548773 /nfs/dbraw/zinc/54/87/73/1034548773.db2.gz FUVUAKFHSUPRTB-LBPRGKRZSA-N 0 3 319.376 3.789 20 10 DHCDHN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000186131094 1034602211 /nfs/dbraw/zinc/60/22/11/1034602211.db2.gz WNNJUJFPCCLOJP-TZMCWYRMSA-N 0 3 309.413 3.859 20 10 DHCDHN COc1ccc(N(c2ccc(N)cc2)C2=CCCN(C)C2)cc1 ZINC001175580218 1035050281 /nfs/dbraw/zinc/05/02/81/1035050281.db2.gz LBNBZRFBIURIQD-UHFFFAOYSA-N 0 3 309.413 3.635 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccccc1[O-] ZINC000194374354 1035119314 /nfs/dbraw/zinc/11/93/14/1035119314.db2.gz DSGSRYCHGUOVSZ-QGZVFWFLSA-N 0 3 307.397 3.819 20 10 DHCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c(Cl)c1 ZINC001177441436 1035372177 /nfs/dbraw/zinc/37/21/77/1035372177.db2.gz ATUXQOSQDJXROU-SCLBCKFNSA-N 0 3 324.896 3.954 20 10 DHCDHN CCN(C)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000773811419 1035473009 /nfs/dbraw/zinc/47/30/09/1035473009.db2.gz MJBHWRSHZNNVGJ-CQSZACIVSA-N 0 3 313.401 3.902 20 10 DHCDHN C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccs1)c1ccccc1[O-] ZINC001179489951 1035480662 /nfs/dbraw/zinc/48/06/62/1035480662.db2.gz XLRVQCKXAUQZIR-GFCCVEGCSA-N 0 3 313.426 3.705 20 10 DHCDHN COc1ncc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC001180292478 1035646407 /nfs/dbraw/zinc/64/64/07/1035646407.db2.gz LYTWGEZHERPUAT-UHFFFAOYSA-N 0 3 318.442 3.802 20 10 DHCDHN COc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC001180292478 1035646414 /nfs/dbraw/zinc/64/64/14/1035646414.db2.gz LYTWGEZHERPUAT-UHFFFAOYSA-N 0 3 318.442 3.802 20 10 DHCDHN COc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC001180292478 1035646421 /nfs/dbraw/zinc/64/64/21/1035646421.db2.gz LYTWGEZHERPUAT-UHFFFAOYSA-N 0 3 318.442 3.802 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CCc3c(C)cc(C)cc3C2)c([O-])c1 ZINC001180977359 1035804437 /nfs/dbraw/zinc/80/44/37/1035804437.db2.gz NRWKPKLSZWLBIG-UHFFFAOYSA-N 0 3 311.425 3.884 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CCc3c(C)cc(C)cc3C2)c([O-])c1 ZINC001180977359 1035804460 /nfs/dbraw/zinc/80/44/60/1035804460.db2.gz NRWKPKLSZWLBIG-UHFFFAOYSA-N 0 3 311.425 3.884 20 10 DHCDHN COc1ccc(O)c(CN(Cc2ccccc2F)C(C)C)c1 ZINC000775651656 1036244973 /nfs/dbraw/zinc/24/49/73/1036244973.db2.gz POUYQZCVFQXVPU-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN COc1cc(C)c(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC001182666100 1036414117 /nfs/dbraw/zinc/41/41/17/1036414117.db2.gz LGQMUHFFPJNECY-LLVKDONJSA-N 0 3 318.244 3.773 20 10 DHCDHN Cc1cccc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)c1O ZINC000775713738 1036524848 /nfs/dbraw/zinc/52/48/48/1036524848.db2.gz MBZLWCMWSHCZSV-VQIMIIECSA-N 0 3 311.425 3.971 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001183354423 1036569998 /nfs/dbraw/zinc/56/99/98/1036569998.db2.gz BHAUARWSBKUKRM-ZHALLVOQSA-N 0 3 324.468 3.953 20 10 DHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001183354420 1036570797 /nfs/dbraw/zinc/57/07/97/1036570797.db2.gz BHAUARWSBKUKRM-LMMKCTJWSA-N 0 3 324.468 3.953 20 10 DHCDHN CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761227718 1037372991 /nfs/dbraw/zinc/37/29/91/1037372991.db2.gz ACBZUFDQPJXHQF-JTQLQIEISA-N 0 3 311.731 3.875 20 10 DHCDHN [O-]c1c(Cl)cccc1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000776231362 1037987183 /nfs/dbraw/zinc/98/71/83/1037987183.db2.gz PGCWXYWENFEWOU-UHFFFAOYSA-N 0 3 322.880 3.932 20 10 DHCDHN COc1cc(O)c(CN[C@H](C)c2ccc(F)cc2F)cc1OC ZINC000776232168 1038004171 /nfs/dbraw/zinc/00/41/71/1038004171.db2.gz QORMKUDRSHBKQF-SNVBAGLBSA-N 0 3 323.339 3.538 20 10 DHCDHN Cc1cccn2c(CN[C@@H](C)c3ccc(N(C)C)cc3)cnc12 ZINC000775363181 1038275924 /nfs/dbraw/zinc/27/59/24/1038275924.db2.gz LFJGVXPVKUMXHH-HNNXBMFYSA-N 0 3 308.429 3.560 20 10 DHCDHN Cc1cc(CCN[C@H](C)c2nccn2C)c(C)n1-c1ccccc1 ZINC000775365177 1038279589 /nfs/dbraw/zinc/27/95/89/1038279589.db2.gz OOIQMNOMUIEPKP-MRXNPFEDSA-N 0 3 322.456 3.721 20 10 DHCDHN CC[C@H]([NH2+]CCCOc1ccc(OC)cc1)c1ccccc1[O-] ZINC000775410488 1038380838 /nfs/dbraw/zinc/38/08/38/1038380838.db2.gz ADSIMZCSLVLQIP-SFHVURJKSA-N 0 3 315.413 3.911 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccc2c1CCOC2 ZINC001191277245 1038478205 /nfs/dbraw/zinc/47/82/05/1038478205.db2.gz JONRFGREJIOSJO-UHFFFAOYSA-N 0 3 311.425 3.877 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccc2c1CCOC2 ZINC001191277245 1038478210 /nfs/dbraw/zinc/47/82/10/1038478210.db2.gz JONRFGREJIOSJO-UHFFFAOYSA-N 0 3 311.425 3.877 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)c1ccc(F)cc1 ZINC001191289471 1038481415 /nfs/dbraw/zinc/48/14/15/1038481415.db2.gz NAAWDKFIKUAGIH-LJQANCHMSA-N 0 3 317.404 3.651 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)c1ccc(F)cc1 ZINC001191289471 1038481421 /nfs/dbraw/zinc/48/14/21/1038481421.db2.gz NAAWDKFIKUAGIH-LJQANCHMSA-N 0 3 317.404 3.651 20 10 DHCDHN CC[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000775492168 1038562303 /nfs/dbraw/zinc/56/23/03/1038562303.db2.gz MRDQFQMLGUOKKI-WBVHZDCISA-N 0 3 304.478 3.943 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1[O-] ZINC000775525910 1038652479 /nfs/dbraw/zinc/65/24/79/1038652479.db2.gz OTMHKLFKBBPQGP-SJXGUFTOSA-N 0 3 309.500 3.813 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775551997 1038708869 /nfs/dbraw/zinc/70/88/69/1038708869.db2.gz QJAIHXZDFDUYTC-QFBILLFUSA-N 0 3 311.425 3.999 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccccc1[O-] ZINC000775552017 1038709140 /nfs/dbraw/zinc/70/91/40/1038709140.db2.gz RGQDYKSHHPFEQJ-YOEHRIQHSA-N 0 3 303.402 3.674 20 10 DHCDHN Oc1ccc(F)cc1CNCc1ccccc1Br ZINC000226588062 1039725981 /nfs/dbraw/zinc/72/59/81/1039725981.db2.gz JBFRZIXWSJXNSP-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN COc1cc(Cl)cc(CN[C@@H]2CSc3ccccc32)c1O ZINC000761207606 1040592872 /nfs/dbraw/zinc/59/28/72/1040592872.db2.gz QVTHGDBGENPDHS-CYBMUJFWSA-N 0 3 321.829 3.991 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])c1ccc(OC)cc1 ZINC000236947678 202086259 /nfs/dbraw/zinc/08/62/59/202086259.db2.gz MXFMVLJWFTUMTK-INIZCTEOSA-N 0 3 301.386 3.650 20 10 DHCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000028924812 182545578 /nfs/dbraw/zinc/54/55/78/182545578.db2.gz RCFHYLHNYHDQPZ-AWEZNQCLSA-N 0 3 311.429 3.562 20 10 DHCDHN COc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288375723 335052043 /nfs/dbraw/zinc/05/20/43/335052043.db2.gz FPMXLGSSRKSQGO-KRWDZBQOSA-N 0 3 319.832 3.870 20 10 DHCDHN CCCN(Cc1ccccc1O)Cc1cccc(O)c1OC ZINC000272324627 130020586 /nfs/dbraw/zinc/02/05/86/130020586.db2.gz VCVYYCCCIJTRMH-UHFFFAOYSA-N 0 3 301.386 3.519 20 10 DHCDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000272901959 130072358 /nfs/dbraw/zinc/07/23/58/130072358.db2.gz VFGJIHYKSSIUAF-VFVRVIDISA-N 0 3 303.377 3.958 20 10 DHCDHN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000273353001 130109431 /nfs/dbraw/zinc/10/94/31/130109431.db2.gz CCMWPDAOWHVZFX-AWEZNQCLSA-N 0 3 315.461 3.718 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273367324 130112323 /nfs/dbraw/zinc/11/23/23/130112323.db2.gz FIXGKVIYDVTOQC-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c(O)c1C ZINC000273528086 130132464 /nfs/dbraw/zinc/13/24/64/130132464.db2.gz VRNHEENMZJGZKD-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN Cc1ccn2cc(CN[C@H](C)c3ccc(C)c(C)c3O)nc2c1 ZINC000273563867 130137328 /nfs/dbraw/zinc/13/73/28/130137328.db2.gz IYFATOYASLYRIK-OAHLLOKOSA-N 0 3 309.413 3.816 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273606721 130144490 /nfs/dbraw/zinc/14/44/90/130144490.db2.gz UIDUZWWGFAHUNI-KSMMKXTCSA-N 0 3 317.404 3.921 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000275059195 130288626 /nfs/dbraw/zinc/28/86/26/130288626.db2.gz PAFGUEOBIIFJEJ-VQIMIIECSA-N 0 3 311.425 3.700 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c([O-])c1 ZINC000284069378 131045942 /nfs/dbraw/zinc/04/59/42/131045942.db2.gz LEVCVHYVOZVHME-GUYCJALGSA-N 0 3 305.443 3.629 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c([O-])c1 ZINC000284284717 131066860 /nfs/dbraw/zinc/06/68/60/131066860.db2.gz HSWDBYJRDYOXCC-NSHDSACASA-N 0 3 308.328 3.548 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287232929 131270384 /nfs/dbraw/zinc/27/03/84/131270384.db2.gz YIEAZXCPILFGFY-MSOLQXFVSA-N 0 3 316.420 3.875 20 10 DHCDHN Cc1ccc(O)c(CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000288569373 131331001 /nfs/dbraw/zinc/33/10/01/131331001.db2.gz ZOTWUAYOLBTSQV-MRXNPFEDSA-N 0 3 305.805 3.567 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000288569373 131331003 /nfs/dbraw/zinc/33/10/03/131331003.db2.gz ZOTWUAYOLBTSQV-MRXNPFEDSA-N 0 3 305.805 3.567 20 10 DHCDHN CCn1cc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000296044747 131936761 /nfs/dbraw/zinc/93/67/61/131936761.db2.gz UQFXMSQMVZVBOH-ZIAGYGMSSA-N 0 3 313.445 3.899 20 10 DHCDHN COc1ncc(CN[C@H](C)c2cc(C)ccc2O)cc1Cl ZINC000296593693 131974308 /nfs/dbraw/zinc/97/43/08/131974308.db2.gz VDWDRMOCLVMABE-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1F ZINC000297632019 132026470 /nfs/dbraw/zinc/02/64/70/132026470.db2.gz JJSQKGZVQMDNQV-OAHLLOKOSA-N 0 3 301.361 3.707 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2OC(F)F)c1 ZINC000120502573 132144164 /nfs/dbraw/zinc/14/41/64/132144164.db2.gz PUQSQIPSSCKKDT-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000176981925 332966554 /nfs/dbraw/zinc/96/65/54/332966554.db2.gz QTCNMUARIWDPHM-NEPJUHHUSA-N 0 3 316.376 3.902 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464613 334047614 /nfs/dbraw/zinc/04/76/14/334047614.db2.gz IHSWOBIPQUVIKQ-AEFFLSMTSA-N 0 3 319.351 3.680 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000285414413 334147756 /nfs/dbraw/zinc/14/77/56/334147756.db2.gz XXVSVYRJUNGNMJ-DYVFJYSZSA-N 0 3 303.377 3.532 20 10 DHCDHN C[C@@H](NCc1ccc(-c2cc[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000325004029 336276274 /nfs/dbraw/zinc/27/62/74/336276274.db2.gz AJGSXBDAERKWNN-OAHLLOKOSA-N 0 3 320.440 3.994 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2[nH]cnc2c1 ZINC000526987905 336278478 /nfs/dbraw/zinc/27/84/78/336278478.db2.gz AIBFAIAAZUOQRA-UHFFFAOYSA-N 0 3 304.397 3.653 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2nc[nH]c2c1 ZINC000526987905 336278479 /nfs/dbraw/zinc/27/84/79/336278479.db2.gz AIBFAIAAZUOQRA-UHFFFAOYSA-N 0 3 304.397 3.653 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(C)cc1[O-] ZINC000370277235 336881619 /nfs/dbraw/zinc/88/16/19/336881619.db2.gz SYLKIHJLYOANMB-QGZVFWFLSA-N 0 3 322.412 3.522 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c([O-])c1C ZINC000375234180 337006198 /nfs/dbraw/zinc/00/61/98/337006198.db2.gz PMWDVVBHEKGSQQ-CABCVRRESA-N 0 3 324.424 3.786 20 10 DHCDHN Cc1n[nH]cc1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000375270421 337007033 /nfs/dbraw/zinc/00/70/33/337007033.db2.gz VLBCUKVEXPINBR-UHFFFAOYSA-N 0 3 321.424 3.957 20 10 DHCDHN Cc1cccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c1[O-] ZINC000375304780 337007690 /nfs/dbraw/zinc/00/76/90/337007690.db2.gz UYWNVADFWMZZAO-UHFFFAOYSA-N 0 3 300.377 3.556 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCOc3c(F)cccc32)c1 ZINC000375345299 337008554 /nfs/dbraw/zinc/00/85/54/337008554.db2.gz NCQTZFJVCGEZAF-MEDUHNTESA-N 0 3 317.360 3.714 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH2+][C@H]1C[C@H](CO)c2ccccc21 ZINC000376957262 337044205 /nfs/dbraw/zinc/04/42/05/337044205.db2.gz JMBQRMVAGREVJF-QRWLVFNGSA-N 0 3 319.404 3.856 20 10 DHCDHN CCOc1ccc(O)c(CN(C)[C@@H]2CCCc3cccnc32)c1 ZINC000377243126 337049265 /nfs/dbraw/zinc/04/92/65/337049265.db2.gz ILGPOUZXFGPIPO-QGZVFWFLSA-N 0 3 312.413 3.695 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000377656288 337057699 /nfs/dbraw/zinc/05/76/99/337057699.db2.gz XBDJATZALKBALY-UHFFFAOYSA-N 0 3 319.351 3.715 20 10 DHCDHN COc1ccc(O)c([C@H](C)N(C)[C@@H]2CCCc3cccnc32)c1 ZINC000377690678 337058466 /nfs/dbraw/zinc/05/84/66/337058466.db2.gz DMOVQCHGKMYQQO-SUMWQHHRSA-N 0 3 312.413 3.866 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(Nc2nccs2)CC1 ZINC000377717806 337059543 /nfs/dbraw/zinc/05/95/43/337059543.db2.gz OAHYNNBJWIAVIP-HNNXBMFYSA-N 0 3 317.458 3.876 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000180641039 337176913 /nfs/dbraw/zinc/17/69/13/337176913.db2.gz YQRWOTWFMUHYOW-OAHLLOKOSA-N 0 3 319.836 3.597 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000180641039 337176914 /nfs/dbraw/zinc/17/69/14/337176914.db2.gz YQRWOTWFMUHYOW-OAHLLOKOSA-N 0 3 319.836 3.597 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c1 ZINC000359973621 337441115 /nfs/dbraw/zinc/44/11/15/337441115.db2.gz LTVTXMAWFYDKJP-OAHLLOKOSA-N 0 3 321.424 3.952 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([O-])c1 ZINC000248492720 337565591 /nfs/dbraw/zinc/56/55/91/337565591.db2.gz JORVAEMCUIDHKX-PAYONLEZSA-N 0 3 301.430 3.699 20 10 DHCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2cc(C)ccc2[O-])OC)c1 ZINC000527923410 337775308 /nfs/dbraw/zinc/77/53/08/337775308.db2.gz CYKIBGHXPVKWTO-KUHUBIRLSA-N 0 3 315.413 3.748 20 10 DHCDHN COc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000237415207 341213662 /nfs/dbraw/zinc/21/36/62/341213662.db2.gz KNGZRRQLZYRFQT-OAHLLOKOSA-N 0 3 303.789 3.831 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](CCO)c2ccccc2)cc1 ZINC000160975162 520288012 /nfs/dbraw/zinc/28/80/12/520288012.db2.gz CQFFPMPEPYNLHX-OXQOHEQNSA-N 0 3 312.457 3.917 20 10 DHCDHN CCCOc1ccc(CNCc2cc(F)ccc2OC)c(O)c1 ZINC000189206473 520369308 /nfs/dbraw/zinc/36/93/08/520369308.db2.gz CNXCIZGKAAWCHK-UHFFFAOYSA-N 0 3 319.376 3.619 20 10 DHCDHN CCOc1cccc(CNC(C)(C)c2ccccc2OC)c1O ZINC000236920353 521358999 /nfs/dbraw/zinc/35/89/99/521358999.db2.gz SFFHSDLOPBGBCH-UHFFFAOYSA-N 0 3 315.413 3.824 20 10 DHCDHN COc1cc(O)c(CN2CCC[C@H]2c2cccs2)cc1OC ZINC000159492300 522773160 /nfs/dbraw/zinc/77/31/60/522773160.db2.gz QCTILEHSDBGEDQ-ZDUSSCGKSA-N 0 3 319.426 3.808 20 10 DHCDHN COc1cc(O)c(CN([C@@H](C)c2ccco2)C2CC2)cc1OC ZINC000179849980 522775059 /nfs/dbraw/zinc/77/50/59/522775059.db2.gz LJGLAHKQHPSEBQ-LBPRGKRZSA-N 0 3 317.385 3.728 20 10 DHCDHN COc1cc([O-])c(C[NH2+]C(C)(C)c2cccc(C)c2)cc1OC ZINC000182419130 522776465 /nfs/dbraw/zinc/77/64/65/522776465.db2.gz DCJORXZTBFZKIX-UHFFFAOYSA-N 0 3 315.413 3.743 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1[O-] ZINC000155852902 522873646 /nfs/dbraw/zinc/87/36/46/522873646.db2.gz DNMWHZFDGHAVTR-GOSISDBHSA-N 0 3 316.420 3.834 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1[O-] ZINC000156790130 522884760 /nfs/dbraw/zinc/88/47/60/522884760.db2.gz PVCSRPRXHNXYAP-MRXNPFEDSA-N 0 3 313.397 3.794 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000155864620 522943151 /nfs/dbraw/zinc/94/31/51/522943151.db2.gz RMIZYWDCSMQJAV-MAUKXSAKSA-N 0 3 324.424 3.518 20 10 DHCDHN COc1ccc([O-])c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000179917635 524737887 /nfs/dbraw/zinc/73/78/87/524737887.db2.gz XNTIMSPTFSVRSF-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN COc1ccc([O-])c(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000179917635 524737898 /nfs/dbraw/zinc/73/78/98/524737898.db2.gz XNTIMSPTFSVRSF-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]CCc2c[nH]c3c2cccc3C)c1 ZINC000182420789 524749234 /nfs/dbraw/zinc/74/92/34/524749234.db2.gz OAPVZCULKKFOAD-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000192790238 524886594 /nfs/dbraw/zinc/88/65/94/524886594.db2.gz VRGYJTJUVVJVSJ-QWHCGFSZSA-N 0 3 301.386 3.821 20 10 DHCDHN COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000266968515 525342847 /nfs/dbraw/zinc/34/28/47/525342847.db2.gz NCLFGYUDONSTSL-KGLIPLIRSA-N 0 3 315.413 3.691 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(F)cc1[O-] ZINC000185459340 525524156 /nfs/dbraw/zinc/52/41/56/525524156.db2.gz YWFNMYBWBLJAEX-GFCCVEGCSA-N 0 3 320.383 3.583 20 10 DHCDHN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870327 1013190056 /nfs/dbraw/zinc/19/00/56/1013190056.db2.gz GDYNSSQCOMASIB-KDOFPFPSSA-N 0 3 300.450 3.771 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000155410278 1013460811 /nfs/dbraw/zinc/46/08/11/1013460811.db2.gz CWCJTJKIHGCTGN-RCDICMHDSA-N 0 3 317.454 3.592 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCc1ccns1)C1CCCC1 ZINC001307462307 1013719298 /nfs/dbraw/zinc/71/92/98/1013719298.db2.gz PIONDYZFKYQEHI-UHFFFAOYSA-N 0 3 302.443 3.836 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccns1)C1CCCC1 ZINC001307462307 1013719304 /nfs/dbraw/zinc/71/93/04/1013719304.db2.gz PIONDYZFKYQEHI-UHFFFAOYSA-N 0 3 302.443 3.836 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1[O-] ZINC000155484381 1013851725 /nfs/dbraw/zinc/85/17/25/1013851725.db2.gz SFGRYSUHTZLHFY-INIZCTEOSA-N 0 3 302.393 3.838 20 10 DHCDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000160541237 1014218362 /nfs/dbraw/zinc/21/83/62/1014218362.db2.gz JEDZLGVOSWNBSD-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000160554643 1014233716 /nfs/dbraw/zinc/23/37/16/1014233716.db2.gz KWJIBJVRXYTTCP-IBGZPJMESA-N 0 3 312.482 3.873 20 10 DHCDHN COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000280823757 1014358008 /nfs/dbraw/zinc/35/80/08/1014358008.db2.gz IYWOICJCJYIYAD-KGLIPLIRSA-N 0 3 315.413 3.691 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277128576 1015900474 /nfs/dbraw/zinc/90/04/74/1015900474.db2.gz YQCOHIZCOUXWIT-UHFFFAOYSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277128576 1015900483 /nfs/dbraw/zinc/90/04/83/1015900483.db2.gz YQCOHIZCOUXWIT-UHFFFAOYSA-N 0 3 315.388 3.713 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000775678263 1036409995 /nfs/dbraw/zinc/40/99/95/1036409995.db2.gz YPYGGUYWSYNCIQ-CQSZACIVSA-N 0 3 310.235 3.838 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000775678263 1036410002 /nfs/dbraw/zinc/41/00/02/1036410002.db2.gz YPYGGUYWSYNCIQ-CQSZACIVSA-N 0 3 310.235 3.838 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1[O-] ZINC000185080183 1016547576 /nfs/dbraw/zinc/54/75/76/1016547576.db2.gz BHTSYWYWUNHAEX-PXAZEXFGSA-N 0 3 320.383 3.624 20 10 DHCDHN CCC[N@H+](Cc1cn(C(C)C)nc1C)Cc1ccccc1[O-] ZINC000281563260 1016601956 /nfs/dbraw/zinc/60/19/56/1016601956.db2.gz JXGPDHUXUPHDOU-UHFFFAOYSA-N 0 3 301.434 3.890 20 10 DHCDHN CCC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1ccccc1[O-] ZINC000281563260 1016601963 /nfs/dbraw/zinc/60/19/63/1016601963.db2.gz JXGPDHUXUPHDOU-UHFFFAOYSA-N 0 3 301.434 3.890 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000192838596 1017072704 /nfs/dbraw/zinc/07/27/04/1017072704.db2.gz KBUDCEKRKWWKIM-CQSZACIVSA-N 0 3 310.441 3.823 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c([O-])c1 ZINC000185647425 1017081186 /nfs/dbraw/zinc/08/11/86/1017081186.db2.gz HIQPMBYTIWOYQJ-HNNXBMFYSA-N 0 3 316.420 3.622 20 10 DHCDHN CCN(CC)c1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1F ZINC000799736360 1012496421 /nfs/dbraw/zinc/49/64/21/1012496421.db2.gz OZELKHKMNBIDPZ-GOEBONIOSA-N 0 3 308.441 3.671 20 10 DHCDHN C[C@H](CN(C)Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001208895172 1012768485 /nfs/dbraw/zinc/76/84/85/1012768485.db2.gz ZQMZTPHPWKEOEI-CYBMUJFWSA-N 0 3 300.368 3.917 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926911094 1032697221 /nfs/dbraw/zinc/69/72/21/1032697221.db2.gz LIXFFVYNRGUECE-MISXGVKJSA-N 0 3 303.324 3.543 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000305740978 1017528619 /nfs/dbraw/zinc/52/86/19/1017528619.db2.gz DUGOCHXGGNAHPE-IBGZPJMESA-N 0 3 323.392 3.721 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000305740978 1017528640 /nfs/dbraw/zinc/52/86/40/1017528640.db2.gz DUGOCHXGGNAHPE-IBGZPJMESA-N 0 3 323.392 3.721 20 10 DHCDHN CCC[N@H+](CCCCn1ccnc1C)Cc1ccccc1[O-] ZINC000161530963 1018043136 /nfs/dbraw/zinc/04/31/36/1018043136.db2.gz QSSDTNKPCGKXON-UHFFFAOYSA-N 0 3 301.434 3.590 20 10 DHCDHN CCC[N@@H+](CCCCn1ccnc1C)Cc1ccccc1[O-] ZINC000161530963 1018043151 /nfs/dbraw/zinc/04/31/51/1018043151.db2.gz QSSDTNKPCGKXON-UHFFFAOYSA-N 0 3 301.434 3.590 20 10 DHCDHN CC1CCN(c2ccc(CNCc3ccnc(F)c3)cc2)CC1 ZINC000858131832 1032777678 /nfs/dbraw/zinc/77/76/78/1032777678.db2.gz JWJCUAZHSMWWPM-UHFFFAOYSA-N 0 3 313.420 3.747 20 10 DHCDHN COc1cc(Cl)cc(CN2CCCC(F)(F)CC2)c1O ZINC000705777583 1018679775 /nfs/dbraw/zinc/67/97/75/1018679775.db2.gz GNLGZBDZVGAKBY-UHFFFAOYSA-N 0 3 305.752 3.675 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000921553398 1019047959 /nfs/dbraw/zinc/04/79/59/1019047959.db2.gz UCTPJHGEGAYYCJ-ZDUSSCGKSA-N 0 3 312.369 3.771 20 10 DHCDHN Cc1ccc(O)c(CNCc2cccc(F)c2OC(F)F)c1 ZINC000858239412 1032812308 /nfs/dbraw/zinc/81/23/08/1032812308.db2.gz NEUXOFMIFOBYBV-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN COc1ccc(C(C)(C)NCc2ccc(N(C)C)cc2)cc1F ZINC000858257912 1032821346 /nfs/dbraw/zinc/82/13/46/1032821346.db2.gz QRQWIOGKIXAEQK-UHFFFAOYSA-N 0 3 316.420 3.925 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000367574740 1019837761 /nfs/dbraw/zinc/83/77/61/1019837761.db2.gz IVSJGZZWEMSXLH-PISHQANHSA-N 0 3 317.360 3.713 20 10 DHCDHN CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2OC)c([O-])c1 ZINC000728594811 1019885408 /nfs/dbraw/zinc/88/54/08/1019885408.db2.gz CFVJQNLLGRYFID-UHFFFAOYSA-N 0 3 315.413 3.824 20 10 DHCDHN Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000922316852 1019998561 /nfs/dbraw/zinc/99/85/61/1019998561.db2.gz UQQXFTPYAPWGFS-UHFFFAOYSA-N 0 3 312.369 3.518 20 10 DHCDHN COc1cc(Br)cc(C[NH+]2[C@H](C)CC[C@H]2C)c1[O-] ZINC000091937426 1020055388 /nfs/dbraw/zinc/05/53/88/1020055388.db2.gz MDCKIWNKUSIKQZ-NXEZZACHSA-N 0 3 314.223 3.536 20 10 DHCDHN CN(C)c1ccc(/C=C/CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922585335 1020145187 /nfs/dbraw/zinc/14/51/87/1020145187.db2.gz RMDNVDVGGZQKED-RRFGBZISSA-N 0 3 307.441 3.902 20 10 DHCDHN c1ccc([C@@H](NCc2ccc(N3CCCC3)cc2)C2CC2)nc1 ZINC000922586875 1020147356 /nfs/dbraw/zinc/14/73/56/1020147356.db2.gz SNKVXUWNRCXZHI-FQEVSTJZSA-N 0 3 307.441 3.923 20 10 DHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000733334297 1020377488 /nfs/dbraw/zinc/37/74/88/1020377488.db2.gz FDEUDPINYRRISP-INIZCTEOSA-N 0 3 308.853 3.542 20 10 DHCDHN CC[C@@H](N[C@@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042307 1020553126 /nfs/dbraw/zinc/55/31/26/1020553126.db2.gz GOCFPQQRNDRDCC-UYAOXDASSA-N 0 3 324.472 3.969 20 10 DHCDHN COc1ccc(CNCc2ccc(OC)c(Cl)c2)cc1C ZINC000742368859 1021107343 /nfs/dbraw/zinc/10/73/43/1021107343.db2.gz QFVCPLMFVWGPBN-UHFFFAOYSA-N 0 3 305.805 3.955 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000742372243 1021113317 /nfs/dbraw/zinc/11/33/17/1021113317.db2.gz KIMSLRCOCQCYHS-HNAYVOBHSA-N 0 3 311.425 3.700 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000742372242 1021113510 /nfs/dbraw/zinc/11/35/10/1021113510.db2.gz KIMSLRCOCQCYHS-DNVCBOLYSA-N 0 3 311.425 3.700 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000176985742 1021191338 /nfs/dbraw/zinc/19/13/38/1021191338.db2.gz MYMMWQISRJXXOH-GHMZBOCLSA-N 0 3 304.321 3.851 20 10 DHCDHN COc1ccc(N2CC[C@H](NCc3sccc3Cl)C2)cc1 ZINC000850347800 1021480625 /nfs/dbraw/zinc/48/06/25/1021480625.db2.gz XVJIOMHDUYSWAF-LBPRGKRZSA-N 0 3 322.861 3.779 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000850365873 1021489792 /nfs/dbraw/zinc/48/97/92/1021489792.db2.gz RYHKJBCXECGQFU-QGZVFWFLSA-N 0 3 319.351 3.573 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)CCCO2 ZINC000850431002 1021528594 /nfs/dbraw/zinc/52/85/94/1021528594.db2.gz XUXFOFPTXTYDMO-CQSZACIVSA-N 0 3 309.409 3.797 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850481317 1021556932 /nfs/dbraw/zinc/55/69/32/1021556932.db2.gz JGBHHLWVVSAFFT-MBNYWOFBSA-N 0 3 306.425 3.542 20 10 DHCDHN CC[C@@H](NCc1c(OC)cccc1OC)c1ccccc1O ZINC000850505073 1021566259 /nfs/dbraw/zinc/56/62/59/1021566259.db2.gz MASSLVQLYXSRLE-OAHLLOKOSA-N 0 3 301.386 3.650 20 10 DHCDHN CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000850515298 1021573543 /nfs/dbraw/zinc/57/35/43/1021573543.db2.gz VYFVWGNZPLIQFB-QZTJIDSGSA-N 0 3 315.413 3.829 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)COc1c(F)cccc1F)c1ccccc1[O-] ZINC000850523102 1021575712 /nfs/dbraw/zinc/57/57/12/1021575712.db2.gz YWPTYANHLILPSM-NWDGAFQWSA-N 0 3 307.340 3.789 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1[O-] ZINC000850535682 1021590289 /nfs/dbraw/zinc/59/02/89/1021590289.db2.gz ZFPPRTBONASOBY-LLVKDONJSA-N 0 3 319.836 3.816 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000850566735 1021611367 /nfs/dbraw/zinc/61/13/67/1021611367.db2.gz ROZXGNYWIJBLCV-CQSZACIVSA-N 0 3 316.470 3.560 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850584846 1021625023 /nfs/dbraw/zinc/62/50/23/1021625023.db2.gz UAAPSJMPHXLLPQ-YRNRMSPPSA-N 0 3 312.457 3.915 20 10 DHCDHN Cn1cncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294510102 1021731189 /nfs/dbraw/zinc/73/11/89/1021731189.db2.gz YRRXBSRIPPQEKW-IBGZPJMESA-N 0 3 321.424 3.589 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCO[C@@H]1CC1(F)F)C1CCCC1 ZINC000851770676 1021994655 /nfs/dbraw/zinc/99/46/55/1021994655.db2.gz TYGSLFMCDJJOPE-MRXNPFEDSA-N 0 3 311.372 3.561 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCO[C@@H]1CC1(F)F)C1CCCC1 ZINC000851770676 1021994661 /nfs/dbraw/zinc/99/46/61/1021994661.db2.gz TYGSLFMCDJJOPE-MRXNPFEDSA-N 0 3 311.372 3.561 20 10 DHCDHN CCCN(Cc1ccccc1O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851791500 1021999320 /nfs/dbraw/zinc/99/93/20/1021999320.db2.gz CJFLMNXORXNBLO-UHFFFAOYSA-N 0 3 318.348 3.852 20 10 DHCDHN Oc1cc(OCc2ccccc2)ccc1CNCc1ccoc1 ZINC000183139287 1022011317 /nfs/dbraw/zinc/01/13/17/1022011317.db2.gz TYPCXFMJCCAKFV-UHFFFAOYSA-N 0 3 309.365 3.854 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]Cc1ccoc1 ZINC000183139287 1022011328 /nfs/dbraw/zinc/01/13/28/1022011328.db2.gz TYPCXFMJCCAKFV-UHFFFAOYSA-N 0 3 309.365 3.854 20 10 DHCDHN C[C@H](NCc1cccnc1OC1CCCC1)c1ccccc1O ZINC000183415352 1022137385 /nfs/dbraw/zinc/13/73/85/1022137385.db2.gz ZXMSSBXUZFFSQG-AWEZNQCLSA-N 0 3 312.413 3.959 20 10 DHCDHN CCC[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1[O-] ZINC000110990430 1022190890 /nfs/dbraw/zinc/19/08/90/1022190890.db2.gz RMSMRIBERLSCNE-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN CCC[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1[O-] ZINC000110990430 1022190893 /nfs/dbraw/zinc/19/08/93/1022190893.db2.gz RMSMRIBERLSCNE-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183630838 1022226014 /nfs/dbraw/zinc/22/60/14/1022226014.db2.gz GGZPXQWBFAICBB-CQSZACIVSA-N 0 3 315.413 3.693 20 10 DHCDHN Cc1csc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000756403451 1022265437 /nfs/dbraw/zinc/26/54/37/1022265437.db2.gz YKCPCIMPFGTPMK-CABZTGNLSA-N 0 3 306.406 3.677 20 10 DHCDHN C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccccc1[O-] ZINC000183725052 1022325163 /nfs/dbraw/zinc/32/51/63/1022325163.db2.gz YLYQCKFFZJVXOH-AWEZNQCLSA-N 0 3 307.397 3.644 20 10 DHCDHN Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756461542 1022399321 /nfs/dbraw/zinc/39/93/21/1022399321.db2.gz UPIGDTBFCDCQPR-ISTRZQFTSA-N 0 3 315.388 3.711 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000854223215 1022433408 /nfs/dbraw/zinc/43/34/08/1022433408.db2.gz RFSWTDAKIXSLQL-NZSAHSFTSA-N 0 3 310.441 3.579 20 10 DHCDHN COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185744676 1022519213 /nfs/dbraw/zinc/51/92/13/1022519213.db2.gz KCQPWDWWRKSJIO-BDJLRTHQSA-N 0 3 301.361 3.878 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(n2cccn2)CC1 ZINC000109000703 1022640130 /nfs/dbraw/zinc/64/01/30/1022640130.db2.gz AQXVZTQTYNFHBW-UHFFFAOYSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc2nccn21)C1CCCC1 ZINC000180183012 1022652665 /nfs/dbraw/zinc/65/26/65/1022652665.db2.gz WNFURDLZJMDRTF-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2nccn21)C1CCCC1 ZINC000180183012 1022652671 /nfs/dbraw/zinc/65/26/71/1022652671.db2.gz WNFURDLZJMDRTF-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCOC(C)(C)C)c2c1 ZINC000767776429 1022804278 /nfs/dbraw/zinc/80/42/78/1022804278.db2.gz VEWYSCPJACGUKE-UHFFFAOYSA-N 0 3 317.429 3.801 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCOC(C)(C)C)c2c1 ZINC000767776429 1022804297 /nfs/dbraw/zinc/80/42/97/1022804297.db2.gz VEWYSCPJACGUKE-UHFFFAOYSA-N 0 3 317.429 3.801 20 10 DHCDHN CCOc1cncc(CNCc2ccc(N(CC)CC)cc2)c1 ZINC000856765658 1022857951 /nfs/dbraw/zinc/85/79/51/1022857951.db2.gz JARFRWQTNUCNPJ-UHFFFAOYSA-N 0 3 313.445 3.616 20 10 DHCDHN CCN(Cc1n[nH]c2ccccc21)Cc1ccc(N(C)C)cc1 ZINC000768133727 1022901512 /nfs/dbraw/zinc/90/15/12/1022901512.db2.gz LQIOSFPHLXQYCA-UHFFFAOYSA-N 0 3 308.429 3.651 20 10 DHCDHN CCN(Cc1[nH]nc2ccccc21)Cc1ccc(N(C)C)cc1 ZINC000768133727 1022901521 /nfs/dbraw/zinc/90/15/21/1022901521.db2.gz LQIOSFPHLXQYCA-UHFFFAOYSA-N 0 3 308.429 3.651 20 10 DHCDHN COc1cccc(O)c1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000768159392 1022908617 /nfs/dbraw/zinc/90/86/17/1022908617.db2.gz DQBZQCDQSAXCEK-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN CCOc1ccc(CN2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000768169805 1022910369 /nfs/dbraw/zinc/91/03/69/1022910369.db2.gz XDXUGOWHDGLXOB-LBPRGKRZSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000768169805 1022910378 /nfs/dbraw/zinc/91/03/78/1022910378.db2.gz XDXUGOWHDGLXOB-LBPRGKRZSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000768169805 1022910392 /nfs/dbraw/zinc/91/03/92/1022910392.db2.gz XDXUGOWHDGLXOB-LBPRGKRZSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1cccc(CN(CCOC)Cc2cccs2)c1O ZINC000768199101 1022913943 /nfs/dbraw/zinc/91/39/43/1022913943.db2.gz ZHCANTKDVPTYPP-UHFFFAOYSA-N 0 3 321.442 3.501 20 10 DHCDHN Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000876549313 1033088946 /nfs/dbraw/zinc/08/89/46/1033088946.db2.gz AWTPBBFOLAILKP-UHFFFAOYSA-N 0 3 324.424 3.551 20 10 DHCDHN CCN(Cc1cc(C)ccc1O)Cc1ccc(OC)cc1OC ZINC000768497103 1022976874 /nfs/dbraw/zinc/97/68/74/1022976874.db2.gz VELHRNXNLKCJDV-UHFFFAOYSA-N 0 3 315.413 3.740 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc2c(c1)OCCO2 ZINC000296048619 1023001968 /nfs/dbraw/zinc/00/19/68/1023001968.db2.gz RATVLKSJZNIMBU-WFASDCNBSA-N 0 3 311.381 3.502 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc(Br)c1)CC2 ZINC000297716174 1023022010 /nfs/dbraw/zinc/02/20/10/1023022010.db2.gz MZWFZUHMGPNVPK-AWEZNQCLSA-N 0 3 318.214 3.932 20 10 DHCDHN CC(C)COC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768938803 1023061287 /nfs/dbraw/zinc/06/12/87/1023061287.db2.gz UAHNBGSDQMAUSF-UHFFFAOYSA-N 0 3 308.441 3.529 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000192874034 1023062407 /nfs/dbraw/zinc/06/24/07/1023062407.db2.gz XGFYTGYXILHWNZ-MRXNPFEDSA-N 0 3 310.441 3.707 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c([O-])c1 ZINC000769106455 1023084802 /nfs/dbraw/zinc/08/48/02/1023084802.db2.gz TXUMWXJCZXAGMQ-SFHVURJKSA-N 0 3 313.397 3.834 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c([O-])c1 ZINC000769106455 1023084814 /nfs/dbraw/zinc/08/48/14/1023084814.db2.gz TXUMWXJCZXAGMQ-SFHVURJKSA-N 0 3 313.397 3.834 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)c([O-])c1 ZINC000769229834 1023103408 /nfs/dbraw/zinc/10/34/08/1023103408.db2.gz SSLHZBLPJMJKPS-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN COc1cccc(C[NH+]2CCC(C)(c3ccccc3)CC2)c1[O-] ZINC000769337623 1023128469 /nfs/dbraw/zinc/12/84/69/1023128469.db2.gz GJBSMIGWLNRTFN-UHFFFAOYSA-N 0 3 311.425 3.955 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000769337503 1023129235 /nfs/dbraw/zinc/12/92/35/1023129235.db2.gz JNRVWWZMBAUOEI-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000769337503 1023129241 /nfs/dbraw/zinc/12/92/41/1023129241.db2.gz JNRVWWZMBAUOEI-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])C[C@H]1CCCCO1 ZINC000769339472 1023129322 /nfs/dbraw/zinc/12/93/22/1023129322.db2.gz PYJWEKFRVSUBMT-QGZVFWFLSA-N 0 3 307.434 3.572 20 10 DHCDHN CCC[N@H+](Cc1ccc(OCC)cc1[O-])C[C@H]1CCCCO1 ZINC000769339472 1023129327 /nfs/dbraw/zinc/12/93/27/1023129327.db2.gz PYJWEKFRVSUBMT-QGZVFWFLSA-N 0 3 307.434 3.572 20 10 DHCDHN Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756606104 1023161492 /nfs/dbraw/zinc/16/14/92/1023161492.db2.gz BEQRJHUVOITANT-UONOGXRCSA-N 0 3 303.377 3.958 20 10 DHCDHN COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2[O-])cc1F ZINC000769495381 1023166541 /nfs/dbraw/zinc/16/65/41/1023166541.db2.gz PKTRRCXZLITBMU-ZDUSSCGKSA-N 0 3 303.377 3.508 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](CO)C(C)(C)C ZINC000769533853 1023173234 /nfs/dbraw/zinc/17/32/34/1023173234.db2.gz QHFVTBYSVSNQSX-IBGZPJMESA-N 0 3 313.441 3.898 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](CO)C(C)(C)C ZINC000769533853 1023173239 /nfs/dbraw/zinc/17/32/39/1023173239.db2.gz QHFVTBYSVSNQSX-IBGZPJMESA-N 0 3 313.441 3.898 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)c([O-])c1 ZINC000769551075 1023176970 /nfs/dbraw/zinc/17/69/70/1023176970.db2.gz UZESNOCXNZRITD-GDBMZVCRSA-N 0 3 309.475 3.897 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)c([O-])c1 ZINC000769551075 1023176978 /nfs/dbraw/zinc/17/69/78/1023176978.db2.gz UZESNOCXNZRITD-GDBMZVCRSA-N 0 3 309.475 3.897 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)c([O-])c1 ZINC000769551081 1023177434 /nfs/dbraw/zinc/17/74/34/1023177434.db2.gz UZESNOCXNZRITD-HOCLYGCPSA-N 0 3 309.475 3.897 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)c([O-])c1 ZINC000769551081 1023177438 /nfs/dbraw/zinc/17/74/38/1023177438.db2.gz UZESNOCXNZRITD-HOCLYGCPSA-N 0 3 309.475 3.897 20 10 DHCDHN COc1cc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1C ZINC000756613054 1023188156 /nfs/dbraw/zinc/18/81/56/1023188156.db2.gz ZGMAYSSHFUSZPC-ZDUSSCGKSA-N 0 3 303.377 3.742 20 10 DHCDHN Cc1cccc(OCCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756676444 1023413391 /nfs/dbraw/zinc/41/33/91/1023413391.db2.gz PZIBESHZBWZGMU-CQSZACIVSA-N 0 3 303.377 3.959 20 10 DHCDHN CC(C)N(Cc1cnc2ccccn12)Cc1ccc(N(C)C)cc1 ZINC000771791607 1023471057 /nfs/dbraw/zinc/47/10/57/1023471057.db2.gz PKJKRQPKSPUOCM-UHFFFAOYSA-N 0 3 322.456 3.811 20 10 DHCDHN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000771935358 1023489897 /nfs/dbraw/zinc/48/98/97/1023489897.db2.gz PIJSYDWJTXPOMC-UHFFFAOYSA-N 0 3 313.401 3.601 20 10 DHCDHN CCOc1ccc(CN[C@H]2CCOc3c(F)cccc32)c(O)c1 ZINC000785552187 1023589992 /nfs/dbraw/zinc/58/99/92/1023589992.db2.gz SDKMCXXBPZPFNX-INIZCTEOSA-N 0 3 317.360 3.543 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c([O-])c1 ZINC000785552187 1023589994 /nfs/dbraw/zinc/58/99/94/1023589994.db2.gz SDKMCXXBPZPFNX-INIZCTEOSA-N 0 3 317.360 3.543 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789758979 1024159479 /nfs/dbraw/zinc/15/94/79/1024159479.db2.gz WMEYHVSJEOCAQD-UHFFFAOYSA-N 0 3 315.388 3.862 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cccc(F)c2N)cc1 ZINC000876943807 1033190058 /nfs/dbraw/zinc/19/00/58/1033190058.db2.gz GRQANZQXNQPNFD-UHFFFAOYSA-N 0 3 301.409 3.544 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCc3c2cnn3C)cc1 ZINC000268844109 1024177256 /nfs/dbraw/zinc/17/72/56/1024177256.db2.gz VAAMNXXJLAZMBW-KSSFIOAISA-N 0 3 312.461 3.604 20 10 DHCDHN CCN(C(=O)c1cccc2c1CCNC2)c1cccc(Cl)c1 ZINC000662497900 1024226393 /nfs/dbraw/zinc/22/63/93/1024226393.db2.gz MZSGUNCEIMZVKT-UHFFFAOYSA-N 0 3 314.816 3.652 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000876972973 1033194917 /nfs/dbraw/zinc/19/49/17/1033194917.db2.gz UGXJEBFSUXLWSR-HNNXBMFYSA-N 0 3 324.424 3.678 20 10 DHCDHN Cc1cc(C)c2c(c1)N(C(=O)c1cccc3c1CCNC3)CCC2 ZINC000662571406 1024257266 /nfs/dbraw/zinc/25/72/66/1024257266.db2.gz GVXVOPZEIDCULM-UHFFFAOYSA-N 0 3 320.436 3.542 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000876995797 1033202938 /nfs/dbraw/zinc/20/29/38/1033202938.db2.gz INEBUDSZZBJINK-QUCCMNQESA-N 0 3 322.452 3.850 20 10 DHCDHN COc1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000883331291 1024386282 /nfs/dbraw/zinc/38/62/82/1024386282.db2.gz VPCDEOXIEGAXAS-XJKSGUPXSA-N 0 3 313.397 3.965 20 10 DHCDHN CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271443308 1024507434 /nfs/dbraw/zinc/50/74/34/1024507434.db2.gz GVDLWOUNTKXBLE-RTBURBONSA-N 0 3 316.420 3.666 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC000271545145 1024537478 /nfs/dbraw/zinc/53/74/78/1024537478.db2.gz ZBFKENDSPDFYGU-IFXJQAMLSA-N 0 3 316.420 3.666 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H](O)c1c(F)cccc1F ZINC000877063202 1033222308 /nfs/dbraw/zinc/22/23/08/1033222308.db2.gz GFTDFHPKPHWIBH-YJBOKZPZSA-N 0 3 321.367 3.581 20 10 DHCDHN C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000792276575 1024660006 /nfs/dbraw/zinc/66/00/06/1024660006.db2.gz LUXFZUZLWSAHMR-NSHDSACASA-N 0 3 309.768 3.914 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000079723874 1024717911 /nfs/dbraw/zinc/71/79/11/1024717911.db2.gz SVFWWAQVRKHCLW-ZDUSSCGKSA-N 0 3 300.358 3.763 20 10 DHCDHN COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000747100426 1024885203 /nfs/dbraw/zinc/88/52/03/1024885203.db2.gz ZCMYZCKQXGPHSB-KBPBESRZSA-N 0 3 315.413 3.691 20 10 DHCDHN COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c([O-])c1 ZINC000793389051 1025030053 /nfs/dbraw/zinc/03/00/53/1025030053.db2.gz ULWHYZOAJWSWLS-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000279485280 1025045658 /nfs/dbraw/zinc/04/56/58/1025045658.db2.gz LDFGAWSCHKPRSL-GTNSWQLSSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336915 1033286929 /nfs/dbraw/zinc/28/69/29/1033286929.db2.gz QCONKIUQJYWBKG-APWZRJJASA-N 0 3 315.388 3.850 20 10 DHCDHN COc1cc(C)cc(CN(C)[C@@H](C)c2sc(C)nc2C)c1O ZINC000894014923 1025659532 /nfs/dbraw/zinc/65/95/32/1025659532.db2.gz USKXZCLQRMYLGV-LBPRGKRZSA-N 0 3 320.458 3.976 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000806179383 1025834950 /nfs/dbraw/zinc/83/49/50/1025834950.db2.gz CEXKOLXHFUZDFQ-DGCLKSJQSA-N 0 3 323.795 3.611 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c([O-])c1 ZINC000290002523 1026276498 /nfs/dbraw/zinc/27/64/98/1026276498.db2.gz ZGTJZACMTGJANR-ACJLOTCBSA-N 0 3 317.454 3.901 20 10 DHCDHN COc1cc(C)cc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1O ZINC000894193531 1026338584 /nfs/dbraw/zinc/33/85/84/1026338584.db2.gz RORLBRDRQJGKMR-SWLSCSKDSA-N 0 3 301.386 3.715 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000808677015 1026356399 /nfs/dbraw/zinc/35/63/99/1026356399.db2.gz OJTQJXRNPUXSGM-RCBQFDQVSA-N 0 3 308.853 3.631 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000808711005 1026360149 /nfs/dbraw/zinc/36/01/49/1026360149.db2.gz ZSAWVNWXQUPVNW-AADNMHCOSA-N 0 3 321.848 3.962 20 10 DHCDHN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])o1 ZINC000808699150 1026372457 /nfs/dbraw/zinc/37/24/57/1026372457.db2.gz UKSKLSBREDLSTA-BXUZGUMPSA-N 0 3 309.793 3.640 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1[O-] ZINC000808697198 1026373537 /nfs/dbraw/zinc/37/35/37/1026373537.db2.gz YWCCDVVSNKMISI-UGSOOPFHSA-N 0 3 319.832 3.912 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccsc2)c1[O-] ZINC000808697674 1026374182 /nfs/dbraw/zinc/37/41/82/1026374182.db2.gz QWTHPIDUCKEFKI-HZMBPMFUSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699064 1026374075 /nfs/dbraw/zinc/37/40/75/1026374075.db2.gz RKGWDXCPTYDQJH-ZDUSSCGKSA-N 0 3 321.852 3.990 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1[O-] ZINC000808699079 1026374229 /nfs/dbraw/zinc/37/42/29/1026374229.db2.gz RUWIUFYYDHCHQN-GDJRKYJOSA-N 0 3 309.837 3.818 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccc(C)cc1[O-] ZINC000279975853 1026478683 /nfs/dbraw/zinc/47/86/83/1026478683.db2.gz DHVZIZOBYQFQJC-XCLVFQIOSA-N 0 3 323.502 3.821 20 10 DHCDHN CCC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccccn1 ZINC000894235031 1026561256 /nfs/dbraw/zinc/56/12/56/1026561256.db2.gz PADDWJCJBNUOST-OAHLLOKOSA-N 0 3 300.402 3.735 20 10 DHCDHN CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280009085 1026569160 /nfs/dbraw/zinc/56/91/60/1026569160.db2.gz GNOFMDIFNSCOCI-MRXNPFEDSA-N 0 3 315.461 3.800 20 10 DHCDHN CC[C@H]([NH2+]CCCCn1ccnc1C)c1ccc(C)cc1[O-] ZINC000280040611 1026577689 /nfs/dbraw/zinc/57/76/89/1026577689.db2.gz IWFGIFOFLYCAPK-KRWDZBQOSA-N 0 3 301.434 3.727 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000280038382 1026577903 /nfs/dbraw/zinc/57/79/03/1026577903.db2.gz IQQSMYFCYYHPHX-YVEFUNNKSA-N 0 3 302.418 3.977 20 10 DHCDHN CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(C)cc1[O-] ZINC000280054396 1026585964 /nfs/dbraw/zinc/58/59/64/1026585964.db2.gz JVOFBTLIXBPFHH-QGZVFWFLSA-N 0 3 301.434 3.645 20 10 DHCDHN Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809701570 1026590097 /nfs/dbraw/zinc/59/00/97/1026590097.db2.gz GVZJUTRCSQZNII-UGSOOPFHSA-N 0 3 319.832 3.874 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758141 1026618751 /nfs/dbraw/zinc/61/87/51/1026618751.db2.gz DTTADWBHXQZOKO-GJZGRUSLSA-N 0 3 323.864 3.993 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758141 1026618755 /nfs/dbraw/zinc/61/87/55/1026618755.db2.gz DTTADWBHXQZOKO-GJZGRUSLSA-N 0 3 323.864 3.993 20 10 DHCDHN CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000280282316 1026626365 /nfs/dbraw/zinc/62/63/65/1026626365.db2.gz YQPUYIWKHBEMDM-DOTOQJQBSA-N 0 3 305.443 3.711 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2COc3ccccc32)c1[O-] ZINC000809790602 1026627748 /nfs/dbraw/zinc/62/77/48/1026627748.db2.gz LHJXONGCIPLFGH-ZDUSSCGKSA-N 0 3 303.789 3.620 20 10 DHCDHN CCC[C@@]1(CO)CCN(Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000809790993 1026629138 /nfs/dbraw/zinc/62/91/38/1026629138.db2.gz RMMPHAYFKCJFFZ-LJQANCHMSA-N 0 3 322.468 3.656 20 10 DHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)cc1O ZINC000810218381 1026709846 /nfs/dbraw/zinc/70/98/46/1026709846.db2.gz IQILXSSJKFDIPQ-AWEZNQCLSA-N 0 3 314.429 3.626 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856801 1027163371 /nfs/dbraw/zinc/16/33/71/1027163371.db2.gz SKZHMVVOGJCIRQ-NEPJUHHUSA-N 0 3 316.357 3.721 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856803 1027165368 /nfs/dbraw/zinc/16/53/68/1027165368.db2.gz SKZHMVVOGJCIRQ-NWDGAFQWSA-N 0 3 316.357 3.721 20 10 DHCDHN [O-]c1ccc(Cl)cc1CN1CCC([NH2+]C2CCCC2)CC1 ZINC000362375125 1027168365 /nfs/dbraw/zinc/16/83/65/1027168365.db2.gz AOZAGUCVRKYHDZ-UHFFFAOYSA-N 0 3 308.853 3.542 20 10 DHCDHN COc1cc(Br)cc(CN2CCCC[C@@H]2C)c1O ZINC000158924297 1027669261 /nfs/dbraw/zinc/66/92/61/1027669261.db2.gz NQFCDDKLKXZKCZ-JTQLQIEISA-N 0 3 314.223 3.538 20 10 DHCDHN CCSc1cccc(C[NH2+]Cc2c([O-])cccc2OC)c1 ZINC000813789948 1027714803 /nfs/dbraw/zinc/71/48/03/1027714803.db2.gz BFJLNNGFLXRWJH-UHFFFAOYSA-N 0 3 303.427 3.803 20 10 DHCDHN CCSc1cccc(CNCc2c(O)cccc2OC)c1 ZINC000813789948 1027714815 /nfs/dbraw/zinc/71/48/15/1027714815.db2.gz BFJLNNGFLXRWJH-UHFFFAOYSA-N 0 3 303.427 3.803 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC000778985394 1027716741 /nfs/dbraw/zinc/71/67/41/1027716741.db2.gz SCIUICVIWINTCE-KRWDZBQOSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC000778985394 1027716752 /nfs/dbraw/zinc/71/67/52/1027716752.db2.gz SCIUICVIWINTCE-KRWDZBQOSA-N 0 3 301.361 3.877 20 10 DHCDHN C[C@@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985415 1027716979 /nfs/dbraw/zinc/71/69/79/1027716979.db2.gz SYRAMOQQLSUAKX-CVEARBPZSA-N 0 3 315.413 3.803 20 10 DHCDHN C[C@@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985415 1027716991 /nfs/dbraw/zinc/71/69/91/1027716991.db2.gz SYRAMOQQLSUAKX-CVEARBPZSA-N 0 3 315.413 3.803 20 10 DHCDHN COc1ccc(CCC[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000779000161 1027756233 /nfs/dbraw/zinc/75/62/33/1027756233.db2.gz QVROPGOJPCTBMW-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN COc1ccc(CCC[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000779000161 1027756250 /nfs/dbraw/zinc/75/62/50/1027756250.db2.gz QVROPGOJPCTBMW-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000364622942 1027857578 /nfs/dbraw/zinc/85/75/78/1027857578.db2.gz MLHLWJXPJVYNJZ-RDJZCZTQSA-N 0 3 313.445 3.939 20 10 DHCDHN CCc1nccn1[C@H]1CCC[N@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000364622942 1027857594 /nfs/dbraw/zinc/85/75/94/1027857594.db2.gz MLHLWJXPJVYNJZ-RDJZCZTQSA-N 0 3 313.445 3.939 20 10 DHCDHN CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779021345 1027869961 /nfs/dbraw/zinc/86/99/61/1027869961.db2.gz CRANSFKYVNRRKF-MNOVXSKESA-N 0 3 316.239 3.539 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000367295577 1028160755 /nfs/dbraw/zinc/16/07/55/1028160755.db2.gz QPQKIXCQXUUHDY-NVXWUHKLSA-N 0 3 311.429 3.672 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000367295577 1028160762 /nfs/dbraw/zinc/16/07/62/1028160762.db2.gz QPQKIXCQXUUHDY-NVXWUHKLSA-N 0 3 311.429 3.672 20 10 DHCDHN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779107279 1028284574 /nfs/dbraw/zinc/28/45/74/1028284574.db2.gz XNBJZEHYTSCIKB-GTNSWQLSSA-N 0 3 307.340 3.536 20 10 DHCDHN Cc1cc(CN2CCC(C(F)(F)F)CC2)ccc1N(C)C ZINC000815055400 1028337056 /nfs/dbraw/zinc/33/70/56/1028337056.db2.gz ZIFMGYHXGCAACZ-UHFFFAOYSA-N 0 3 300.368 3.835 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1[O-] ZINC000368621915 1028385873 /nfs/dbraw/zinc/38/58/73/1028385873.db2.gz BLPDIJFWGHZRQG-NSHDSACASA-N 0 3 307.777 3.637 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1[O-] ZINC000368621915 1028385890 /nfs/dbraw/zinc/38/58/90/1028385890.db2.gz BLPDIJFWGHZRQG-NSHDSACASA-N 0 3 307.777 3.637 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CCCC1 ZINC000815554078 1028539826 /nfs/dbraw/zinc/53/98/26/1028539826.db2.gz RAQUAJZQSGWYDV-HXUWFJFHSA-N 0 3 324.468 3.752 20 10 DHCDHN CC1CCN(c2ccc(CNCc3ccc(F)nc3)cc2)CC1 ZINC000189080446 1028548321 /nfs/dbraw/zinc/54/83/21/1028548321.db2.gz CMOXFZWSEVSLSV-UHFFFAOYSA-N 0 3 313.420 3.747 20 10 DHCDHN C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N(C)C ZINC000815575989 1028551295 /nfs/dbraw/zinc/55/12/95/1028551295.db2.gz GOROEXUHQOCWJT-QFBILLFUSA-N 0 3 312.457 3.606 20 10 DHCDHN C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N(C)C ZINC000815575990 1028551380 /nfs/dbraw/zinc/55/13/80/1028551380.db2.gz GOROEXUHQOCWJT-VQIMIIECSA-N 0 3 312.457 3.606 20 10 DHCDHN C[C@H](C[C@H](C)O)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815614825 1028570791 /nfs/dbraw/zinc/57/07/91/1028570791.db2.gz BRYYLGOHWJLTQA-GJYPPUQNSA-N 0 3 313.441 3.815 20 10 DHCDHN CC[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000370553193 1028618065 /nfs/dbraw/zinc/61/80/65/1028618065.db2.gz CAHPKHOCRZUOSA-RDJZCZTQSA-N 0 3 324.424 3.867 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCSCC[C@H]3C)c2c1 ZINC000189910162 1028709236 /nfs/dbraw/zinc/70/92/36/1028709236.db2.gz KUDKELHESUMTIB-CYBMUJFWSA-N 0 3 317.454 3.881 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCSCC[C@H]3C)c2c1 ZINC000189910162 1028709246 /nfs/dbraw/zinc/70/92/46/1028709246.db2.gz KUDKELHESUMTIB-CYBMUJFWSA-N 0 3 317.454 3.881 20 10 DHCDHN COc1ccsc1[C@H](C)NCc1ccc2c(c1)CCN2C ZINC000372418575 1028855857 /nfs/dbraw/zinc/85/58/57/1028855857.db2.gz WPBOCHKHVXEWJG-LBPRGKRZSA-N 0 3 302.443 3.600 20 10 DHCDHN [O-]c1c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)ccc2ccccc21 ZINC000816497855 1028906260 /nfs/dbraw/zinc/90/62/60/1028906260.db2.gz WHLQNLKRGPQVFC-GOSISDBHSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1c(C[N@H+]2CCC[C@@H]2CN2CCCC2)ccc2ccccc21 ZINC000816497855 1028906282 /nfs/dbraw/zinc/90/62/82/1028906282.db2.gz WHLQNLKRGPQVFC-GOSISDBHSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1c(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc2ccccc21 ZINC000816498487 1028906872 /nfs/dbraw/zinc/90/68/72/1028906872.db2.gz WVEGDDNHIUVKKM-UHFFFAOYSA-N 0 3 307.397 3.648 20 10 DHCDHN [O-]c1c(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499525 1028908884 /nfs/dbraw/zinc/90/88/84/1028908884.db2.gz SYDOHALJHQYXAD-IBGZPJMESA-N 0 3 324.468 3.996 20 10 DHCDHN [O-]c1c(C[N@H+]2CCCC[C@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499525 1028908894 /nfs/dbraw/zinc/90/88/94/1028908894.db2.gz SYDOHALJHQYXAD-IBGZPJMESA-N 0 3 324.468 3.996 20 10 DHCDHN CC(C)N(CC[NH2+]Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816528532 1028918889 /nfs/dbraw/zinc/91/88/89/1028918889.db2.gz HGTZUNASPJZGMK-UHFFFAOYSA-N 0 3 300.446 3.754 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000816659553 1028980264 /nfs/dbraw/zinc/98/02/64/1028980264.db2.gz SBSVBUHWQYYKSP-MRXNPFEDSA-N 0 3 303.789 3.699 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000816659553 1028980275 /nfs/dbraw/zinc/98/02/75/1028980275.db2.gz SBSVBUHWQYYKSP-MRXNPFEDSA-N 0 3 303.789 3.699 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000816662807 1028985833 /nfs/dbraw/zinc/98/58/33/1028985833.db2.gz ZAUCTIHUGZKTFQ-QGZVFWFLSA-N 0 3 311.853 3.585 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000816662807 1028985847 /nfs/dbraw/zinc/98/58/47/1028985847.db2.gz ZAUCTIHUGZKTFQ-QGZVFWFLSA-N 0 3 311.853 3.585 20 10 DHCDHN CC[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1[O-] ZINC000155265909 1029216167 /nfs/dbraw/zinc/21/61/67/1029216167.db2.gz SMGFOLPFTCLBON-MRXNPFEDSA-N 0 3 316.470 3.553 20 10 DHCDHN CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000155651854 1029270018 /nfs/dbraw/zinc/27/00/18/1029270018.db2.gz AMYCZGZIBDDRHC-HNNXBMFYSA-N 0 3 322.449 3.690 20 10 DHCDHN CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)c2cc(N)ccc2O1 ZINC000817974836 1029311352 /nfs/dbraw/zinc/31/13/52/1029311352.db2.gz GEEIYUJJEVOEQA-CVEARBPZSA-N 0 3 324.424 3.854 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817972377 1029311593 /nfs/dbraw/zinc/31/15/93/1029311593.db2.gz WKRHKOLAPGQWOT-PUYPPJJSSA-N 0 3 317.260 3.880 20 10 DHCDHN CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)c2cc(N)ccc2O1 ZINC000817974838 1029312055 /nfs/dbraw/zinc/31/20/55/1029312055.db2.gz GEEIYUJJEVOEQA-HOTGVXAUSA-N 0 3 324.424 3.854 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000817975497 1029313389 /nfs/dbraw/zinc/31/33/89/1029313389.db2.gz VRHCBOQMYZGXDU-MOPGFXCFSA-N 0 3 310.441 3.628 20 10 DHCDHN COc1cc([C@H](C)NCc2c(C)c3ccccc3n2C)ccn1 ZINC000570587828 1029390566 /nfs/dbraw/zinc/39/05/66/1029390566.db2.gz RGTPUQZPBXDHOL-AWEZNQCLSA-N 0 3 309.413 3.741 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccccc1[O-] ZINC000156177049 1029402181 /nfs/dbraw/zinc/40/21/81/1029402181.db2.gz BMHTZQFRHQYUPI-QGZVFWFLSA-N 0 3 309.413 3.632 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000828013769 1029813708 /nfs/dbraw/zinc/81/37/08/1029813708.db2.gz KDSAGGVMDQSJCH-UHFFFAOYSA-N 0 3 319.408 3.731 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000828013769 1029813714 /nfs/dbraw/zinc/81/37/14/1029813714.db2.gz KDSAGGVMDQSJCH-UHFFFAOYSA-N 0 3 319.408 3.731 20 10 DHCDHN c1cnc2c(c1)[C@@H](NCc1ccc(N3CCCC3)cc1)CCC2 ZINC000866227697 1030168875 /nfs/dbraw/zinc/16/88/75/1030168875.db2.gz BNXRERMIMOMPHE-FQEVSTJZSA-N 0 3 307.441 3.849 20 10 DHCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cs1 ZINC000823387355 1030274606 /nfs/dbraw/zinc/27/46/06/1030274606.db2.gz YJGZSHMPCZVZPO-KRWDZBQOSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cs1 ZINC000823387355 1030274619 /nfs/dbraw/zinc/27/46/19/1030274619.db2.gz YJGZSHMPCZVZPO-KRWDZBQOSA-N 0 3 317.454 3.943 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1ccc(OC(F)F)cc1F)CC2 ZINC000866541691 1030363771 /nfs/dbraw/zinc/36/37/71/1030363771.db2.gz RAENMGKHEOKPTF-AWEZNQCLSA-N 0 3 323.314 3.910 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)c1[O-] ZINC000866634943 1030415644 /nfs/dbraw/zinc/41/56/44/1030415644.db2.gz VYJPJSWFLGFCIY-SMDDNHRTSA-N 0 3 305.809 3.736 20 10 DHCDHN Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)ccn1 ZINC000824597557 1030590442 /nfs/dbraw/zinc/59/04/42/1030590442.db2.gz UKHZWUCDYALFMN-UHFFFAOYSA-N 0 3 323.362 3.765 20 10 DHCDHN CCOc1ccc(C[NH2+]C2CCC(CSC)CC2)c([O-])c1 ZINC000824649698 1030601212 /nfs/dbraw/zinc/60/12/12/1030601212.db2.gz FIIXNKJUIRUALN-UHFFFAOYSA-N 0 3 309.475 3.802 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000824714264 1030620047 /nfs/dbraw/zinc/62/00/47/1030620047.db2.gz AVMXGGMDPNFONK-AAEUAGOBSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000824714264 1030620053 /nfs/dbraw/zinc/62/00/53/1030620053.db2.gz AVMXGGMDPNFONK-AAEUAGOBSA-N 0 3 317.351 3.954 20 10 DHCDHN Cc1cc(O)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000291787371 1030644817 /nfs/dbraw/zinc/64/48/17/1030644817.db2.gz VQBVDSNSYDIMPE-UHFFFAOYSA-N 0 3 314.385 3.942 20 10 DHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cnc(C)nc1C ZINC000359002259 1030723646 /nfs/dbraw/zinc/72/36/46/1030723646.db2.gz LQJVTFGWBVQKHZ-ZDUSSCGKSA-N 0 3 308.429 3.744 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000122793642 1030869363 /nfs/dbraw/zinc/86/93/63/1030869363.db2.gz PHKCSGCJFBOFER-HNNXBMFYSA-N 0 3 300.450 3.689 20 10 DHCDHN Cc1nc2c(cccc2CC[NH2+][C@@H]2CCc3cccc([O-])c32)o1 ZINC000926973406 1031022976 /nfs/dbraw/zinc/02/29/76/1031022976.db2.gz CNAWKUQZTBBPLM-OAHLLOKOSA-N 0 3 308.381 3.661 20 10 DHCDHN Cc1nccnc1[C@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000872132461 1031525192 /nfs/dbraw/zinc/52/51/92/1031525192.db2.gz FXFPKKUFKNRWFJ-SUZMYJTESA-N 0 3 301.365 3.529 20 10 DHCDHN Cc1nccnc1[C@H](C)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000872132456 1031525705 /nfs/dbraw/zinc/52/57/05/1031525705.db2.gz FXFPKKUFKNRWFJ-CDMKHQONSA-N 0 3 301.365 3.529 20 10 DHCDHN CCCOc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1C ZINC000873012678 1031692882 /nfs/dbraw/zinc/69/28/82/1031692882.db2.gz MWSNYLLDKHALAZ-QGZVFWFLSA-N 0 3 313.445 3.685 20 10 DHCDHN FC(F)O[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000781531452 1031870962 /nfs/dbraw/zinc/87/09/62/1031870962.db2.gz CFAAEXTVDPICEK-QGZVFWFLSA-N 0 3 324.415 3.881 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H](C)c2cc(F)ccc2OC)c1O ZINC000846140634 1031899980 /nfs/dbraw/zinc/89/99/80/1031899980.db2.gz BURPAXJMQPSXPQ-NEPJUHHUSA-N 0 3 319.376 3.960 20 10 DHCDHN Cc1ccc(CN[C@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000877491876 1033322386 /nfs/dbraw/zinc/32/23/86/1033322386.db2.gz PYGDWUBZUQPKOP-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000877516610 1033329629 /nfs/dbraw/zinc/32/96/29/1033329629.db2.gz GYAPVKDWLIOIKB-AABGKKOBSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000877516610 1033329638 /nfs/dbraw/zinc/32/96/38/1033329638.db2.gz GYAPVKDWLIOIKB-AABGKKOBSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c([O-])c1 ZINC000877548311 1033348676 /nfs/dbraw/zinc/34/86/76/1033348676.db2.gz VPHAMLLQUQBUCP-SJCJKPOMSA-N 0 3 303.427 3.554 20 10 DHCDHN Cc1ccc(CN[C@@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000877644661 1033394917 /nfs/dbraw/zinc/39/49/17/1033394917.db2.gz ZBVUOZCIPXQCRC-QGZVFWFLSA-N 0 3 319.408 3.663 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCO2 ZINC000126669628 1033414708 /nfs/dbraw/zinc/41/47/08/1033414708.db2.gz HLTTVZXCJDDQLR-CQSZACIVSA-N 0 3 324.424 3.649 20 10 DHCDHN C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(O)c1[O-] ZINC001172856910 1033427025 /nfs/dbraw/zinc/42/70/25/1033427025.db2.gz AOOXCTGUZGHXJI-SNVBAGLBSA-N 0 3 309.768 3.611 20 10 DHCDHN CCc1noc(C2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)n1 ZINC000877757423 1033434615 /nfs/dbraw/zinc/43/46/15/1033434615.db2.gz ZYRPLKKDISDRFS-HSBZDZAISA-N 0 3 315.417 3.715 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000877758256 1033435046 /nfs/dbraw/zinc/43/50/46/1033435046.db2.gz PMMIORSPZIXBGT-JTQLQIEISA-N 0 3 311.303 3.967 20 10 DHCDHN Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756517 1033436105 /nfs/dbraw/zinc/43/61/05/1033436105.db2.gz OWZLDLRCJWVCKN-HUUCEWRRSA-N 0 3 312.413 3.769 20 10 DHCDHN CCOc1cccc(CNC2(c3cccc(F)c3)CC2)c1O ZINC000152872669 1033548828 /nfs/dbraw/zinc/54/88/28/1033548828.db2.gz KMHPUFAGSAEFOE-UHFFFAOYSA-N 0 3 301.361 3.709 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119249110 1033989977 /nfs/dbraw/zinc/98/99/77/1033989977.db2.gz LRSOGALUPGKPSC-HNNXBMFYSA-N 0 3 314.429 3.584 20 10 DHCDHN Cc1cc(CN[C@@H]2CCCn3nccc32)ccc1N1CCCCC1 ZINC000879786998 1034123471 /nfs/dbraw/zinc/12/34/71/1034123471.db2.gz CBIBBKUWMGLFMK-GOSISDBHSA-N 0 3 324.472 3.807 20 10 DHCDHN C[C@H](NCc1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178024310 1034202699 /nfs/dbraw/zinc/20/26/99/1034202699.db2.gz DUOURBBHPYGVJD-ZDUSSCGKSA-N 0 3 320.433 3.575 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])cc1OC ZINC000179555395 1034316181 /nfs/dbraw/zinc/31/61/81/1034316181.db2.gz KYZCNFCYKASZQD-INIZCTEOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])cc1OC ZINC000179555395 1034316197 /nfs/dbraw/zinc/31/61/97/1034316197.db2.gz KYZCNFCYKASZQD-INIZCTEOSA-N 0 3 313.397 3.747 20 10 DHCDHN C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1[O-] ZINC000183414226 1034386504 /nfs/dbraw/zinc/38/65/04/1034386504.db2.gz CGNKOHZSHBKMPZ-AWEZNQCLSA-N 0 3 312.413 3.959 20 10 DHCDHN COc1ccc(CCC[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183449122 1034388027 /nfs/dbraw/zinc/38/80/27/1034388027.db2.gz QTCWEKXEDQQPIF-CQSZACIVSA-N 0 3 315.413 3.693 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1[O-] ZINC000183539060 1034396720 /nfs/dbraw/zinc/39/67/20/1034396720.db2.gz KKRWVVRQJJPFCJ-AWEZNQCLSA-N 0 3 321.424 3.857 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000183632550 1034407610 /nfs/dbraw/zinc/40/76/10/1034407610.db2.gz NZDBIKWUVQLIGW-QLJPJBMISA-N 0 3 309.768 3.569 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1[O-] ZINC000794801766 1034473320 /nfs/dbraw/zinc/47/33/20/1034473320.db2.gz KZWKEFBJAYDQAD-FUHWJXTLSA-N 0 3 311.429 3.917 20 10 DHCDHN CC[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794794217 1034475217 /nfs/dbraw/zinc/47/52/17/1034475217.db2.gz QNASYSCWAZNDDJ-FQEVSTJZSA-N 0 3 324.468 3.800 20 10 DHCDHN CC[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794805794 1034504953 /nfs/dbraw/zinc/50/49/53/1034504953.db2.gz YLRHAEFJPZXFCP-KRWDZBQOSA-N 0 3 303.377 3.959 20 10 DHCDHN CC[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccc(C)cc1[O-] ZINC000794811680 1034520041 /nfs/dbraw/zinc/52/00/41/1034520041.db2.gz XUPYHMUDCRKNIH-QGZVFWFLSA-N 0 3 301.434 3.775 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794813021 1034521068 /nfs/dbraw/zinc/52/10/68/1034521068.db2.gz ARXYTCSGYVTNIO-MNEFBYGVSA-N 0 3 313.441 3.733 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000794814762 1034524368 /nfs/dbraw/zinc/52/43/68/1034524368.db2.gz IMRYFUHXAINBCW-JTSKRJEESA-N 0 3 317.454 3.679 20 10 DHCDHN CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794816427 1034525350 /nfs/dbraw/zinc/52/53/50/1034525350.db2.gz KQZGYQPITYILET-GOSISDBHSA-N 0 3 315.461 3.724 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794817767 1034538103 /nfs/dbraw/zinc/53/81/03/1034538103.db2.gz VQHJYWKKKVCEGT-IEBWSBKVSA-N 0 3 313.441 3.653 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(C)cc1[O-] ZINC000794819199 1034538870 /nfs/dbraw/zinc/53/88/70/1034538870.db2.gz YKIBMYDRMWZOOR-NVXWUHKLSA-N 0 3 319.445 3.817 20 10 DHCDHN COCc1ccc([C@H]2CCCN2Cc2cc(F)ccc2O)o1 ZINC000185676908 1034564373 /nfs/dbraw/zinc/56/43/73/1034564373.db2.gz IJGUFAPXRXAUFB-OAHLLOKOSA-N 0 3 305.349 3.608 20 10 DHCDHN COc1ccsc1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000186137769 1034601643 /nfs/dbraw/zinc/60/16/43/1034601643.db2.gz VYZKVOMMEPMOEM-ZDUSSCGKSA-N 0 3 316.470 3.990 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccnn1C ZINC000192846853 1034822523 /nfs/dbraw/zinc/82/25/23/1034822523.db2.gz BUUKFCLCRARCQC-MRXNPFEDSA-N 0 3 312.461 3.507 20 10 DHCDHN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC001175418401 1034974696 /nfs/dbraw/zinc/97/46/96/1034974696.db2.gz IRECBGOJDICDJG-JTQLQIEISA-N 0 3 306.749 3.805 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c([O-])c1 ZINC000194374754 1035119393 /nfs/dbraw/zinc/11/93/93/1035119393.db2.gz KRJSQJXHGMROTE-HNNXBMFYSA-N 0 3 307.397 3.737 20 10 DHCDHN Cc1cc([C@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)n[nH]1 ZINC001176484121 1035278292 /nfs/dbraw/zinc/27/82/92/1035278292.db2.gz ANQNPJKOKJTDFI-LJQANCHMSA-N 0 3 312.461 3.820 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001180052869 1035577183 /nfs/dbraw/zinc/57/71/83/1035577183.db2.gz WEIGVBXWAGLEDE-NVXWUHKLSA-N 0 3 307.459 3.569 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001180052869 1035577196 /nfs/dbraw/zinc/57/71/96/1035577196.db2.gz WEIGVBXWAGLEDE-NVXWUHKLSA-N 0 3 307.459 3.569 20 10 DHCDHN Cn1ccc(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000905721106 1035627687 /nfs/dbraw/zinc/62/76/87/1035627687.db2.gz GTVUPZSGXOZZGT-UHFFFAOYSA-N 0 3 321.424 3.659 20 10 DHCDHN COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000775643091 1036162301 /nfs/dbraw/zinc/16/23/01/1036162301.db2.gz LPZFLUBJEPHUSH-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000775643091 1036162308 /nfs/dbraw/zinc/16/23/08/1036162308.db2.gz LPZFLUBJEPHUSH-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001203561156 1036549534 /nfs/dbraw/zinc/54/95/34/1036549534.db2.gz MMNBMMAFJQSRMW-INIZCTEOSA-N 0 3 303.402 3.898 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001203561156 1036549545 /nfs/dbraw/zinc/54/95/45/1036549545.db2.gz MMNBMMAFJQSRMW-INIZCTEOSA-N 0 3 303.402 3.898 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)NCc2cc(C)ccc2O)c1 ZINC000237263278 1037000840 /nfs/dbraw/zinc/00/08/40/1037000840.db2.gz GOZGZSAUWWVYTI-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN C[C@H](NCc1nc2cc(Cl)ccc2n1C)c1ccccc1O ZINC000775130574 1037670046 /nfs/dbraw/zinc/67/00/46/1037670046.db2.gz MDRZSRSUTREVSG-NSHDSACASA-N 0 3 315.804 3.783 20 10 DHCDHN COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776231120 1037981017 /nfs/dbraw/zinc/98/10/17/1037981017.db2.gz MJBWINNTLUBCAF-KRWDZBQOSA-N 0 3 319.832 3.701 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC(F)(F)C2)c1[O-] ZINC000776251330 1038070993 /nfs/dbraw/zinc/07/09/93/1038070993.db2.gz AVEWAERIDLJIKU-NSHDSACASA-N 0 3 320.177 3.741 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](c2cccnc2)C2CC2)c1[O-] ZINC000776253737 1038072103 /nfs/dbraw/zinc/07/21/03/1038072103.db2.gz PWLQVUIDVFBQBE-INIZCTEOSA-N 0 3 302.805 3.990 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)c1ccc(F)cc1 ZINC001191289470 1038480793 /nfs/dbraw/zinc/48/07/93/1038480793.db2.gz NAAWDKFIKUAGIH-IBGZPJMESA-N 0 3 317.404 3.651 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)c1ccc(F)cc1 ZINC001191289470 1038480798 /nfs/dbraw/zinc/48/07/98/1038480798.db2.gz NAAWDKFIKUAGIH-IBGZPJMESA-N 0 3 317.404 3.651 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1[O-] ZINC000157040358 1038488536 /nfs/dbraw/zinc/48/85/36/1038488536.db2.gz OCVYBWOVVBYDIR-GOEBONIOSA-N 0 3 305.418 3.509 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000775487600 1038557165 /nfs/dbraw/zinc/55/71/65/1038557165.db2.gz LJWPFDPZYWEJJK-QZTJIDSGSA-N 0 3 304.478 3.943 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccccc1[O-] ZINC000775522464 1038632155 /nfs/dbraw/zinc/63/21/55/1038632155.db2.gz QFSAEGWDCBMGQA-ZBFHGGJFSA-N 0 3 321.486 3.878 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000775539109 1038680766 /nfs/dbraw/zinc/68/07/66/1038680766.db2.gz CCARIJCWSRZDID-WBVHZDCISA-N 0 3 319.445 3.899 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000775539260 1038681215 /nfs/dbraw/zinc/68/12/15/1038681215.db2.gz DKTODSMWZCOUBK-QXCFYTAISA-N 0 3 319.445 3.755 20 10 DHCDHN CCC(CC)(C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)OC ZINC000760884384 1038963162 /nfs/dbraw/zinc/96/31/62/1038963162.db2.gz QRXHELZFDIOJQH-AAEUAGOBSA-N 0 3 323.408 3.649 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000172484947 1039919709 /nfs/dbraw/zinc/91/97/09/1039919709.db2.gz MGQZZQYPUZTVAT-QGZVFWFLSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000172484947 1039919726 /nfs/dbraw/zinc/91/97/26/1039919726.db2.gz MGQZZQYPUZTVAT-QGZVFWFLSA-N 0 3 310.441 3.606 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](SC)C(C)(C)C)c1[O-] ZINC000761217731 1040698433 /nfs/dbraw/zinc/69/84/33/1040698433.db2.gz XSERZIPFUOFAFM-ZDUSSCGKSA-N 0 3 317.882 3.922 20 10 DHCDHN COc1cc(Cl)cc(CNCc2ccc(F)c(F)c2)c1O ZINC000228672207 1041047506 /nfs/dbraw/zinc/04/75/06/1041047506.db2.gz NTKDHFSWDFEQAZ-UHFFFAOYSA-N 0 3 313.731 3.622 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(F)c(F)c2)c1[O-] ZINC000228672207 1041047521 /nfs/dbraw/zinc/04/75/21/1041047521.db2.gz NTKDHFSWDFEQAZ-UHFFFAOYSA-N 0 3 313.731 3.622 20 10 DHCDHN CCC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1[O-] ZINC000092705074 185334414 /nfs/dbraw/zinc/33/44/14/185334414.db2.gz BQNWNCMOEZUGER-UHFFFAOYSA-N 0 3 301.434 3.756 20 10 DHCDHN CCC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1[O-] ZINC000092705074 185334415 /nfs/dbraw/zinc/33/44/15/185334415.db2.gz BQNWNCMOEZUGER-UHFFFAOYSA-N 0 3 301.434 3.756 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1NC(C)=O ZINC000092705056 185334433 /nfs/dbraw/zinc/33/44/33/185334433.db2.gz ZNTFKGRCYVYNKX-UHFFFAOYSA-N 0 3 312.413 3.763 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1NC(C)=O ZINC000092705056 185334434 /nfs/dbraw/zinc/33/44/34/185334434.db2.gz ZNTFKGRCYVYNKX-UHFFFAOYSA-N 0 3 312.413 3.763 20 10 DHCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC(F)F ZINC000091956821 193133345 /nfs/dbraw/zinc/13/33/45/193133345.db2.gz BWZMCWQHUQAENG-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC(F)F ZINC000091956821 193133346 /nfs/dbraw/zinc/13/33/46/193133346.db2.gz BWZMCWQHUQAENG-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN CCN(Cc1cccc(OC)c1O)[C@@H](C)c1cccc(O)c1 ZINC000091975175 193134860 /nfs/dbraw/zinc/13/48/60/193134860.db2.gz YNJMLFRGEDNBFP-ZDUSSCGKSA-N 0 3 301.386 3.690 20 10 DHCDHN CCCO[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000093317580 193230626 /nfs/dbraw/zinc/23/06/26/193230626.db2.gz DCMFKXVOVWBJRO-INIZCTEOSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCO[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000093317580 193230628 /nfs/dbraw/zinc/23/06/28/193230628.db2.gz DCMFKXVOVWBJRO-INIZCTEOSA-N 0 3 307.434 3.572 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCSC1 ZINC000273227480 130098766 /nfs/dbraw/zinc/09/87/66/130098766.db2.gz WIIPKHRUQNKXDL-MRXNPFEDSA-N 0 3 315.438 3.566 20 10 DHCDHN C[C@H](NCc1cn2ccccc2n1)c1cc2c(cc1O)CCCC2 ZINC000273432250 130120357 /nfs/dbraw/zinc/12/03/57/130120357.db2.gz WBZQFFOPZFZNGA-AWEZNQCLSA-N 0 3 321.424 3.770 20 10 DHCDHN COc1cccc(C2([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000273481142 130126054 /nfs/dbraw/zinc/12/60/54/130126054.db2.gz LXKFWFDZKXZOPH-GFCCVEGCSA-N 0 3 301.361 3.880 20 10 DHCDHN COc1cccc(C2(N[C@H](C)c3cc(OC)ccc3O)CC2)c1 ZINC000273489454 130128153 /nfs/dbraw/zinc/12/81/53/130128153.db2.gz OBHMVZUOYKAAHA-CYBMUJFWSA-N 0 3 313.397 3.749 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273491837 130128531 /nfs/dbraw/zinc/12/85/31/130128531.db2.gz NKXPKYACSRHRPX-MJGOQNOKSA-N 0 3 315.388 3.883 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273491837 130128533 /nfs/dbraw/zinc/12/85/33/130128533.db2.gz NKXPKYACSRHRPX-MJGOQNOKSA-N 0 3 315.388 3.883 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000273506830 130130848 /nfs/dbraw/zinc/13/08/48/130130848.db2.gz RBTWRSOITUUTSX-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c(O)c1C ZINC000273527029 130132443 /nfs/dbraw/zinc/13/24/43/130132443.db2.gz VMXMTMKTHLTGMW-QWHCGFSZSA-N 0 3 302.422 3.662 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000273562269 130137592 /nfs/dbraw/zinc/13/75/92/130137592.db2.gz IKEOZXUIHULBFE-KGLIPLIRSA-N 0 3 324.424 3.631 20 10 DHCDHN C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1[O-] ZINC000273992833 130195456 /nfs/dbraw/zinc/19/54/56/130195456.db2.gz MENIIJZCBHHKFI-FVWXCPNNSA-N 0 3 311.425 3.873 20 10 DHCDHN Cn1nccc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000274941097 130276401 /nfs/dbraw/zinc/27/64/01/130276401.db2.gz MSDBDFMGGMUJLQ-LJQANCHMSA-N 0 3 321.424 3.589 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000275059192 130288319 /nfs/dbraw/zinc/28/83/19/130288319.db2.gz PAFGUEOBIIFJEJ-QFBILLFUSA-N 0 3 311.425 3.700 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000284195558 131057839 /nfs/dbraw/zinc/05/78/39/131057839.db2.gz RWLOFQOGFPJIHT-DYVFJYSZSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000285237145 131150129 /nfs/dbraw/zinc/15/01/29/131150129.db2.gz PMDHHEBQAPJTHT-RLFYNMQTSA-N 0 3 321.486 3.714 20 10 DHCDHN c1cc2cc(CNCc3ccc(N4CCOCC4)cc3)ccc2o1 ZINC000285378282 131162809 /nfs/dbraw/zinc/16/28/09/131162809.db2.gz GKZWBPWJVHEJFO-UHFFFAOYSA-N 0 3 322.408 3.559 20 10 DHCDHN CN(C)c1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000286733552 131247718 /nfs/dbraw/zinc/24/77/18/131247718.db2.gz HIWHRDRVGXZXEU-GOSISDBHSA-N 0 3 318.848 3.619 20 10 DHCDHN Cc1cc(O)c(CN[C@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288373588 131322198 /nfs/dbraw/zinc/32/21/98/131322198.db2.gz FICFLHUPEKWKSS-QGZVFWFLSA-N 0 3 319.832 3.876 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288373588 131322200 /nfs/dbraw/zinc/32/22/00/131322200.db2.gz FICFLHUPEKWKSS-QGZVFWFLSA-N 0 3 319.832 3.876 20 10 DHCDHN C[C@@H](N[C@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473594 132017040 /nfs/dbraw/zinc/01/70/40/132017040.db2.gz YSRMJSHMOTYEFG-PBHICJAKSA-N 0 3 319.408 3.916 20 10 DHCDHN COc1ccc(CNCc2ccccc2Cn2ccnc2)cc1C ZINC000298394614 132059852 /nfs/dbraw/zinc/05/98/52/132059852.db2.gz HPECXBQCJWJHPQ-UHFFFAOYSA-N 0 3 321.424 3.538 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000119659025 132135402 /nfs/dbraw/zinc/13/54/02/132135402.db2.gz AVTUJFAWDNCZAM-GOSISDBHSA-N 0 3 324.468 3.991 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000293816344 335117420 /nfs/dbraw/zinc/11/74/20/335117420.db2.gz FMPZVVGCDCJYAS-SFHVURJKSA-N 0 3 315.388 3.525 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCCCO ZINC000294118438 335120090 /nfs/dbraw/zinc/12/00/90/335120090.db2.gz KOMZOUJSMXNIKS-IBGZPJMESA-N 0 3 313.441 3.818 20 10 DHCDHN Cc1noc(C)c1CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185396069 333208139 /nfs/dbraw/zinc/20/81/39/333208139.db2.gz QQYVFIHGNUCMBA-GFCCVEGCSA-N 0 3 314.429 3.769 20 10 DHCDHN C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297129013 335149765 /nfs/dbraw/zinc/14/97/65/335149765.db2.gz YVOIFTFPXHYNKB-UXIGCNINSA-N 0 3 303.427 3.543 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)CC2 ZINC000297255785 335152276 /nfs/dbraw/zinc/15/22/76/335152276.db2.gz JRDGOKLSCPKTPP-CVEARBPZSA-N 0 3 317.816 3.746 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)CC2 ZINC000297255792 335152349 /nfs/dbraw/zinc/15/23/49/335152349.db2.gz JRDGOKLSCPKTPP-HZPDHXFCSA-N 0 3 317.816 3.746 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464522 334047536 /nfs/dbraw/zinc/04/75/36/334047536.db2.gz IEUWGZNNKYQRIC-SJLPKXTDSA-N 0 3 301.361 3.541 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1nc3c(s1)CCCC3)CC2 ZINC000296830208 334237040 /nfs/dbraw/zinc/23/70/40/334237040.db2.gz MNCXNWJKGBDAJB-AWEZNQCLSA-N 0 3 314.454 3.547 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194375070 338516554 /nfs/dbraw/zinc/51/65/54/338516554.db2.gz FMSXXWOAUIOOKI-OAHLLOKOSA-N 0 3 307.397 3.737 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194375083 338516643 /nfs/dbraw/zinc/51/66/43/338516643.db2.gz FMSXXWOAUIOOKI-HNNXBMFYSA-N 0 3 307.397 3.737 20 10 DHCDHN C[C@H](NCc1ccc(-c2cc[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000325004028 336276230 /nfs/dbraw/zinc/27/62/30/336276230.db2.gz AJGSXBDAERKWNN-HNNXBMFYSA-N 0 3 320.440 3.994 20 10 DHCDHN CC[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1[O-] ZINC000192931115 336284759 /nfs/dbraw/zinc/28/47/59/336284759.db2.gz XKKSVZPQNGZOIQ-INIZCTEOSA-N 0 3 309.413 3.873 20 10 DHCDHN Cc1cccnc1C1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000368259630 336841247 /nfs/dbraw/zinc/84/12/47/336841247.db2.gz KVHHFCHWTZHZID-ZDUSSCGKSA-N 0 3 300.377 3.617 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(Cl)nc1 ZINC000368730195 336851492 /nfs/dbraw/zinc/85/14/92/336851492.db2.gz OXKILIWROCVUEO-LBPRGKRZSA-N 0 3 301.821 3.578 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000370553191 336887476 /nfs/dbraw/zinc/88/74/76/336887476.db2.gz CAHPKHOCRZUOSA-DOTOQJQBSA-N 0 3 324.424 3.867 20 10 DHCDHN Cc1ccc([O-])c(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000371326367 336900588 /nfs/dbraw/zinc/90/05/88/336900588.db2.gz IMRGKOASSNSPGK-UHFFFAOYSA-N 0 3 309.409 3.722 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccccc1[O-] ZINC000373461059 336961200 /nfs/dbraw/zinc/96/12/00/336961200.db2.gz UFJOVAUYZZABLF-HOTGVXAUSA-N 0 3 313.397 3.965 20 10 DHCDHN CN(C)c1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000374496021 336990571 /nfs/dbraw/zinc/99/05/71/336990571.db2.gz KPGFYZWKIDENPQ-ICSRJNTNSA-N 0 3 310.441 3.620 20 10 DHCDHN COc1ccc(O)c(CN2CCC(c3ncc(C)s3)CC2)c1 ZINC000375413251 337010780 /nfs/dbraw/zinc/01/07/80/337010780.db2.gz GCDLPHIAUHZBFE-UHFFFAOYSA-N 0 3 318.442 3.545 20 10 DHCDHN COc1ccc([O-])c(C[NH+]2CCC(c3ncc(C)s3)CC2)c1 ZINC000375413251 337010781 /nfs/dbraw/zinc/01/07/81/337010781.db2.gz GCDLPHIAUHZBFE-UHFFFAOYSA-N 0 3 318.442 3.545 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000305750355 337035609 /nfs/dbraw/zinc/03/56/09/337035609.db2.gz ZHUKPQQIOQOBHJ-FUHWJXTLSA-N 0 3 315.413 3.854 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000305750355 337035610 /nfs/dbraw/zinc/03/56/10/337035610.db2.gz ZHUKPQQIOQOBHJ-FUHWJXTLSA-N 0 3 315.413 3.854 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c([O-])c1C ZINC000376896724 337043430 /nfs/dbraw/zinc/04/34/30/337043430.db2.gz OZFGDCHRZDKPPU-PBHICJAKSA-N 0 3 324.424 3.786 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c([O-])c1 ZINC000377348175 337050930 /nfs/dbraw/zinc/05/09/30/337050930.db2.gz WJFZXPBRMUBLRG-HOCLYGCPSA-N 0 3 313.445 3.686 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccccc1[O-] ZINC000378617003 337076872 /nfs/dbraw/zinc/07/68/72/337076872.db2.gz AESTWOZWRSQHMS-AWEZNQCLSA-N 0 3 307.397 3.644 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000378624642 337076951 /nfs/dbraw/zinc/07/69/51/337076951.db2.gz NVAYZPFANFXEBF-OCCSQVGLSA-N 0 3 318.367 3.600 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1C ZINC000184807812 337200348 /nfs/dbraw/zinc/20/03/48/337200348.db2.gz JLHWZUMLTSVZHE-HXUWFJFHSA-N 0 3 309.409 3.640 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1C ZINC000184807812 337200349 /nfs/dbraw/zinc/20/03/49/337200349.db2.gz JLHWZUMLTSVZHE-HXUWFJFHSA-N 0 3 309.409 3.640 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189380264 337279008 /nfs/dbraw/zinc/27/90/08/337279008.db2.gz KTMLZRWFHAABMU-SUMWQHHRSA-N 0 3 313.397 3.884 20 10 DHCDHN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000160050110 519779820 /nfs/dbraw/zinc/77/98/20/519779820.db2.gz VTMPDGCUXXTZLG-HNNXBMFYSA-N 0 3 313.445 3.786 20 10 DHCDHN CCN(Cc1ccc(COC)o1)Cc1ccc(N(C)C)cc1 ZINC000156836991 521307681 /nfs/dbraw/zinc/30/76/81/521307681.db2.gz GMSOPZPRMFKPRU-UHFFFAOYSA-N 0 3 302.418 3.514 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000127080836 522628898 /nfs/dbraw/zinc/62/88/98/522628898.db2.gz HLUOVHOPCGSMTM-RDJZCZTQSA-N 0 3 323.795 3.959 20 10 DHCDHN COc1cc(O)c(CN(Cc2cccs2)C2CC2)cc1OC ZINC000158851147 522774174 /nfs/dbraw/zinc/77/41/74/522774174.db2.gz JGKCIDPIWIZVNN-UHFFFAOYSA-N 0 3 319.426 3.636 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000155100422 522856459 /nfs/dbraw/zinc/85/64/59/522856459.db2.gz BOMQBHZMYOMHNH-QFBILLFUSA-N 0 3 310.441 3.959 20 10 DHCDHN CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)c1cnn(C)c1 ZINC000158695362 522877346 /nfs/dbraw/zinc/87/73/46/522877346.db2.gz KVNXLSMEELWBRA-QGZVFWFLSA-N 0 3 318.440 3.646 20 10 DHCDHN COCCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187012449 523178076 /nfs/dbraw/zinc/17/80/76/523178076.db2.gz LRVZIDURTUXIOT-LLVKDONJSA-N 0 3 316.239 3.540 20 10 DHCDHN COc1ccc(N2CCC(N[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000158135654 524403470 /nfs/dbraw/zinc/40/34/70/524403470.db2.gz RTYKGDPXHUFMOR-OAHLLOKOSA-N 0 3 314.429 3.916 20 10 DHCDHN Cc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1[O-] ZINC000182207197 524430133 /nfs/dbraw/zinc/43/01/33/524430133.db2.gz DDQBDNBIRBVLDS-UHFFFAOYSA-N 0 3 315.388 3.635 20 10 DHCDHN COc1ccc(O)c(CN(C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000180154072 524732630 /nfs/dbraw/zinc/73/26/30/524732630.db2.gz GMQJVKVEWLFQHT-NSHDSACASA-N 0 3 306.431 3.667 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC000186093477 524770796 /nfs/dbraw/zinc/77/07/96/524770796.db2.gz FMEQZSFCRRYQGP-SUNYJGFJSA-N 0 3 307.434 3.503 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000186129276 524774948 /nfs/dbraw/zinc/77/49/48/524774948.db2.gz HRANTTVWOGNSJJ-KBPBESRZSA-N 0 3 305.418 3.543 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000182623786 524873604 /nfs/dbraw/zinc/87/36/04/524873604.db2.gz ALFSMMSHQZSQHK-HNNXBMFYSA-N 0 3 309.837 3.935 20 10 DHCDHN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000129475991 525553521 /nfs/dbraw/zinc/55/35/21/525553521.db2.gz VUCAOEPNLKKJMV-MRXNPFEDSA-N 0 3 320.440 3.789 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(NC(=O)OC)c1)c1ccccc1[O-] ZINC000287616538 535919408 /nfs/dbraw/zinc/91/94/08/535919408.db2.gz SSLNPCYFOIXKNN-INIZCTEOSA-N 0 3 314.385 3.811 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1[O-] ZINC000274787299 535942294 /nfs/dbraw/zinc/94/22/94/535942294.db2.gz QPJAMTBZEWWTSL-BUTRMIIQSA-N 0 3 317.454 3.932 20 10 DHCDHN COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000280824781 1014365083 /nfs/dbraw/zinc/36/50/83/1014365083.db2.gz IYWOICJCJYIYAD-UONOGXRCSA-N 0 3 315.413 3.691 20 10 DHCDHN COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000280824788 1014365710 /nfs/dbraw/zinc/36/57/10/1014365710.db2.gz IYWOICJCJYIYAD-ZIAGYGMSSA-N 0 3 315.413 3.691 20 10 DHCDHN C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000783518217 1015048406 /nfs/dbraw/zinc/04/84/06/1015048406.db2.gz KYFHVVHABBAUHX-CQSZACIVSA-N 0 3 314.385 3.974 20 10 DHCDHN COc1ccc(CN(C)Cc2ccc(Cl)cc2)c(O)c1OC ZINC000891477200 1015311391 /nfs/dbraw/zinc/31/13/91/1015311391.db2.gz CWWQUQJZAKSKAA-UHFFFAOYSA-N 0 3 321.804 3.695 20 10 DHCDHN CCn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(C)n1 ZINC000892013252 1016108394 /nfs/dbraw/zinc/10/83/94/1016108394.db2.gz UJLXXNVFTBXNET-UHFFFAOYSA-N 0 3 313.445 3.862 20 10 DHCDHN CCn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(C)n1 ZINC000892013252 1016108399 /nfs/dbraw/zinc/10/83/99/1016108399.db2.gz UJLXXNVFTBXNET-UHFFFAOYSA-N 0 3 313.445 3.862 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1[O-] ZINC000399575830 1016167884 /nfs/dbraw/zinc/16/78/84/1016167884.db2.gz HWNRMLLLBUYZHS-QJPTWQEYSA-N 0 3 312.251 3.939 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1[O-] ZINC000399575830 1016167887 /nfs/dbraw/zinc/16/78/87/1016167887.db2.gz HWNRMLLLBUYZHS-QJPTWQEYSA-N 0 3 312.251 3.939 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1[O-] ZINC000185080219 1016547561 /nfs/dbraw/zinc/54/75/61/1016547561.db2.gz BHTSYWYWUNHAEX-SJKOYZFVSA-N 0 3 320.383 3.624 20 10 DHCDHN CCC(CC)(C[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000072924089 1016998273 /nfs/dbraw/zinc/99/82/73/1016998273.db2.gz MSCCZZDMVWGRDO-UHFFFAOYSA-N 0 3 322.449 3.565 20 10 DHCDHN COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185574536 1017025288 /nfs/dbraw/zinc/02/52/88/1017025288.db2.gz BRVVUOCVTYMBIN-LSDHHAIUSA-N 0 3 315.413 3.827 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c([O-])c1 ZINC000185647405 1017079427 /nfs/dbraw/zinc/07/94/27/1017079427.db2.gz HIQPMBYTIWOYQJ-OAHLLOKOSA-N 0 3 316.420 3.622 20 10 DHCDHN CCN(CC)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000323001186 1032264346 /nfs/dbraw/zinc/26/43/46/1032264346.db2.gz KTWOAOWKWSDKBF-GOSISDBHSA-N 0 3 316.420 3.704 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1[O-] ZINC001171345634 1032507275 /nfs/dbraw/zinc/50/72/75/1032507275.db2.gz LSOMURQLJQKYOT-SMDDNHRTSA-N 0 3 303.352 3.879 20 10 DHCDHN CCOCc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000921504204 1017321539 /nfs/dbraw/zinc/32/15/39/1017321539.db2.gz WGTQMDQPHWFZED-UHFFFAOYSA-N 0 3 311.425 3.838 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108376 1032562315 /nfs/dbraw/zinc/56/23/15/1032562315.db2.gz XAACTEMVYBGURO-IIBYNOLFSA-N 0 3 323.484 3.980 20 10 DHCDHN Cc1n[nH]cc1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263687312 1032753804 /nfs/dbraw/zinc/75/38/04/1032753804.db2.gz OBKWEOIFZSNPKE-UHFFFAOYSA-N 0 3 321.424 3.813 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278477318 1018729164 /nfs/dbraw/zinc/72/91/64/1018729164.db2.gz OLINLMZVMANTQI-CYBMUJFWSA-N 0 3 312.413 3.525 20 10 DHCDHN CN(C)c1cc(F)c(CNC[C@H]2CCCC2(F)F)cc1F ZINC000858173314 1032790069 /nfs/dbraw/zinc/79/00/69/1032790069.db2.gz ZWMKENKNEGJGMM-LLVKDONJSA-N 0 3 304.331 3.556 20 10 DHCDHN CCCCN(Cc1ccnn1CCC)Cc1ccccc1O ZINC000825788449 1032833855 /nfs/dbraw/zinc/83/38/55/1032833855.db2.gz HHSONZSRYPAVOB-UHFFFAOYSA-N 0 3 301.434 3.801 20 10 DHCDHN c1cnc2cc(CNCc3ccc4c(c3)CCCO4)ccc2c1 ZINC000922301480 1019979482 /nfs/dbraw/zinc/97/94/82/1019979482.db2.gz CLJQIRNMCFYZQB-UHFFFAOYSA-N 0 3 304.393 3.850 20 10 DHCDHN CC(C)[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765991206 1020102313 /nfs/dbraw/zinc/10/23/13/1020102313.db2.gz BMOAHDFFZHDISP-CJNGLKHVSA-N 0 3 310.869 3.644 20 10 DHCDHN Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264229838 1032881384 /nfs/dbraw/zinc/88/13/84/1032881384.db2.gz AIBDQCTYHNADKL-AWEZNQCLSA-N 0 3 321.424 3.952 20 10 DHCDHN COc1cc(C)cc(CN2CCc3sccc3[C@H]2C)c1O ZINC000732526599 1020248554 /nfs/dbraw/zinc/24/85/54/1020248554.db2.gz MTUSUEALYLKKMT-GFCCVEGCSA-N 0 3 303.427 3.890 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000179583986 1020412696 /nfs/dbraw/zinc/41/26/96/1020412696.db2.gz YRUJUUFZIKOGOB-IBGZPJMESA-N 0 3 311.425 3.616 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000179583986 1020412697 /nfs/dbraw/zinc/41/26/97/1020412697.db2.gz YRUJUUFZIKOGOB-IBGZPJMESA-N 0 3 311.425 3.616 20 10 DHCDHN CC[C@H](N[C@@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042290 1020552594 /nfs/dbraw/zinc/55/25/94/1020552594.db2.gz GOCFPQQRNDRDCC-AZUAARDMSA-N 0 3 324.472 3.969 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccccc1[O-] ZINC000858496827 1032924858 /nfs/dbraw/zinc/92/48/58/1032924858.db2.gz VNMFVRIGUULLPV-GOSISDBHSA-N 0 3 312.413 3.616 20 10 DHCDHN CN(C)[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000738144613 1020861838 /nfs/dbraw/zinc/86/18/38/1020861838.db2.gz QTYZIILOZKQQSJ-OAHLLOKOSA-N 0 3 324.424 3.818 20 10 DHCDHN CN(C)[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000738144613 1020861843 /nfs/dbraw/zinc/86/18/43/1020861843.db2.gz QTYZIILOZKQQSJ-OAHLLOKOSA-N 0 3 324.424 3.818 20 10 DHCDHN Cc1ccccc1[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000742163236 1021092211 /nfs/dbraw/zinc/09/22/11/1021092211.db2.gz RUQMACYUAZDNHJ-FQEVSTJZSA-N 0 3 311.425 3.891 20 10 DHCDHN Cc1ccc(C)n1-c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167697484 1021110192 /nfs/dbraw/zinc/11/01/92/1021110192.db2.gz BJBXHEARQZSXRB-UHFFFAOYSA-N 0 3 316.408 3.892 20 10 DHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccccc1-n1cccn1 ZINC001137100852 1032966546 /nfs/dbraw/zinc/96/65/46/1032966546.db2.gz PTWYSUZTDCHVAM-UHFFFAOYSA-N 0 3 307.397 3.600 20 10 DHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1-n1cccn1 ZINC001137100852 1032966561 /nfs/dbraw/zinc/96/65/61/1032966561.db2.gz PTWYSUZTDCHVAM-UHFFFAOYSA-N 0 3 307.397 3.600 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000104151744 1021234878 /nfs/dbraw/zinc/23/48/78/1021234878.db2.gz WISDLXGLOIKAPJ-CQSZACIVSA-N 0 3 314.429 3.621 20 10 DHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@H](C)S[C@@H](C)C3)c2c1 ZINC000743377548 1021283383 /nfs/dbraw/zinc/28/33/83/1021283383.db2.gz PSGHADVZFIUKBH-STQMWFEESA-N 0 3 317.454 3.880 20 10 DHCDHN CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000743400155 1021283913 /nfs/dbraw/zinc/28/39/13/1021283913.db2.gz JDLJPJHOWFHULN-CQSZACIVSA-N 0 3 309.475 3.723 20 10 DHCDHN Fc1ccc(CNCCCSc2nccs2)c(F)c1F ZINC000850147262 1021427622 /nfs/dbraw/zinc/42/76/22/1021427622.db2.gz UZPSSCCMIZLXJV-UHFFFAOYSA-N 0 3 318.389 3.832 20 10 DHCDHN COc1cc(CNCc2occc2C)c(O)c(C(C)(C)C)c1 ZINC000850308415 1021470066 /nfs/dbraw/zinc/47/00/66/1021470066.db2.gz ZKIFYHDMYMWFQZ-UHFFFAOYSA-N 0 3 303.402 3.890 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368337 1021489833 /nfs/dbraw/zinc/48/98/33/1021489833.db2.gz BUGUSFJORTYQEI-PMACEKPBSA-N 0 3 310.441 3.801 20 10 DHCDHN COc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1C ZINC000850394746 1021507951 /nfs/dbraw/zinc/50/79/51/1021507951.db2.gz BQVLHJMBHZWGKK-WOJBJXKFSA-N 0 3 313.441 3.851 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C(F)F)nc1 ZINC000850422246 1021524501 /nfs/dbraw/zinc/52/45/01/1021524501.db2.gz KDSQIUGPOZNXII-LBPRGKRZSA-N 0 3 305.372 3.936 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000850495274 1021564251 /nfs/dbraw/zinc/56/42/51/1021564251.db2.gz ZHXVIFLDOQIZOM-MBNYWOFBSA-N 0 3 306.425 3.542 20 10 DHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850507736 1021566928 /nfs/dbraw/zinc/56/69/28/1021566928.db2.gz KNJPRPIDROCUJC-KOLCDFICSA-N 0 3 312.207 3.533 20 10 DHCDHN COC[C@H](N[C@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513329 1021570324 /nfs/dbraw/zinc/57/03/24/1021570324.db2.gz GEQXYJOUBDLPDS-KDOFPFPSSA-N 0 3 315.413 3.748 20 10 DHCDHN COC[C@@H](N[C@@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513328 1021570950 /nfs/dbraw/zinc/57/09/50/1021570950.db2.gz GEQXYJOUBDLPDS-KBXCAEBGSA-N 0 3 315.413 3.748 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1cccc(OC3CC3)c1F)CC2 ZINC000850521410 1021575955 /nfs/dbraw/zinc/57/59/55/1021575955.db2.gz UXAZAOPUKIBGMA-OAHLLOKOSA-N 0 3 313.372 3.850 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850530069 1021582992 /nfs/dbraw/zinc/58/29/92/1021582992.db2.gz WUMQNMIZDBDWHE-PNHOKKKMSA-N 0 3 310.441 3.972 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000154823676 1021660694 /nfs/dbraw/zinc/66/06/94/1021660694.db2.gz XLFVDOIUKNAAPS-ROUUACIJSA-N 0 3 316.420 3.875 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1[O-] ZINC000183333136 1022111022 /nfs/dbraw/zinc/11/10/22/1022111022.db2.gz NRIIIBJKVZUVEP-GOSISDBHSA-N 0 3 307.397 3.819 20 10 DHCDHN Oc1ccc(F)cc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000180899744 1022172327 /nfs/dbraw/zinc/17/23/27/1022172327.db2.gz GLJUXSKDECYAQP-UHFFFAOYSA-N 0 3 307.315 3.979 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000183671888 1022262003 /nfs/dbraw/zinc/26/20/03/1022262003.db2.gz APCCHODENFUAJY-HUUCEWRRSA-N 0 3 305.418 3.509 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC23CCCC3)c1[O-] ZINC000763453091 1022278319 /nfs/dbraw/zinc/27/83/19/1022278319.db2.gz QKEHJCJFICKABC-ZDUSSCGKSA-N 0 3 310.235 3.885 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000854225284 1022434029 /nfs/dbraw/zinc/43/40/29/1022434029.db2.gz BRBMAVUBYNPBNI-HPEXNQPKSA-N 0 3 312.388 3.939 20 10 DHCDHN COc1ccc(O)c(CN(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000179661278 1022502543 /nfs/dbraw/zinc/50/25/43/1022502543.db2.gz LEHNKHYIFKLUQZ-NSHDSACASA-N 0 3 307.340 3.872 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](F)CC2)cc1Br ZINC001237677325 1022514247 /nfs/dbraw/zinc/51/42/47/1022514247.db2.gz LSBQNMRLJROOKE-GFCCVEGCSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](F)CC2)cc1Br ZINC001237677325 1022514260 /nfs/dbraw/zinc/51/42/60/1022514260.db2.gz LSBQNMRLJROOKE-GFCCVEGCSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1cccc(CNC(C)(C)c2nc3ccccc3n2C)c1O ZINC000186426767 1022574420 /nfs/dbraw/zinc/57/44/20/1022574420.db2.gz HSVCCZSSAQQWOO-UHFFFAOYSA-N 0 3 309.413 3.612 20 10 DHCDHN COc1ccc([C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cc1 ZINC000180027147 1022610446 /nfs/dbraw/zinc/61/04/46/1022610446.db2.gz OZLZYKMMOUHWGY-AWEZNQCLSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cc1 ZINC000180027147 1022610454 /nfs/dbraw/zinc/61/04/54/1022610454.db2.gz OZLZYKMMOUHWGY-AWEZNQCLSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccc2c(c1)[C@@H](NCc1cc(C)c(C)cc1O)CCO2 ZINC000767187899 1022659438 /nfs/dbraw/zinc/65/94/38/1022659438.db2.gz BFSBUXNIAVPVRG-KRWDZBQOSA-N 0 3 313.397 3.631 20 10 DHCDHN CC(C)c1cccnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000767290552 1022681155 /nfs/dbraw/zinc/68/11/55/1022681155.db2.gz JUIVLGCPKHCOLZ-UHFFFAOYSA-N 0 3 324.472 3.569 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000238099818 1022685909 /nfs/dbraw/zinc/68/59/09/1022685909.db2.gz YZOLHVSRSIABNY-UHFFFAOYSA-N 0 3 311.303 3.580 20 10 DHCDHN OC1CCN(c2ccc(CN3CC[C@H]3c3ccccc3)cc2)CC1 ZINC000876512584 1033083609 /nfs/dbraw/zinc/08/36/09/1033083609.db2.gz SPFAKVZFOHOWFM-NRFANRHFSA-N 0 3 322.452 3.595 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CC2(F)F)c1[O-] ZINC000857060433 1022938437 /nfs/dbraw/zinc/93/84/37/1022938437.db2.gz RMJPALMZKKCHNP-SNVBAGLBSA-N 0 3 320.177 3.598 20 10 DHCDHN CC(C)N(Cc1cnn(C(C)C)c1)Cc1ccc(N(C)C)cc1 ZINC000768353394 1022952587 /nfs/dbraw/zinc/95/25/87/1022952587.db2.gz SXRRWMJIXNXSCM-UHFFFAOYSA-N 0 3 314.477 3.941 20 10 DHCDHN CCOc1ccc(C[N@H+](C)CCc2ccccc2F)c([O-])c1 ZINC000769029611 1023071096 /nfs/dbraw/zinc/07/10/96/1023071096.db2.gz LVUPDNGCECCZSZ-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)CCc2ccccc2F)c([O-])c1 ZINC000769029611 1023071107 /nfs/dbraw/zinc/07/11/07/1023071107.db2.gz LVUPDNGCECCZSZ-UHFFFAOYSA-N 0 3 303.377 3.605 20 10 DHCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(C)c2)c([O-])c1 ZINC000769234573 1023104196 /nfs/dbraw/zinc/10/41/96/1023104196.db2.gz VXMDCVXBLFUXJK-UHFFFAOYSA-N 0 3 315.413 3.740 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(C)c2)c([O-])c1 ZINC000769234573 1023104199 /nfs/dbraw/zinc/10/41/99/1023104199.db2.gz VXMDCVXBLFUXJK-UHFFFAOYSA-N 0 3 315.413 3.740 20 10 DHCDHN C[C@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769389495 1023139570 /nfs/dbraw/zinc/13/95/70/1023139570.db2.gz PJHDGUQHBJLCIG-AWEZNQCLSA-N 0 3 303.406 3.569 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cncc(OC)c1C ZINC000876654360 1033114649 /nfs/dbraw/zinc/11/46/49/1033114649.db2.gz DAINBYUDWYOCFV-UHFFFAOYSA-N 0 3 300.402 3.516 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cncc(OC)c1C ZINC000876654360 1033114657 /nfs/dbraw/zinc/11/46/57/1033114657.db2.gz DAINBYUDWYOCFV-UHFFFAOYSA-N 0 3 300.402 3.516 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCC[C@H]1O ZINC000770292653 1023292822 /nfs/dbraw/zinc/29/28/22/1023292822.db2.gz NVHYPTDUOVHNIF-IEBWSBKVSA-N 0 3 311.425 3.652 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCC[C@H]1O ZINC000770292653 1023292828 /nfs/dbraw/zinc/29/28/28/1023292828.db2.gz NVHYPTDUOVHNIF-IEBWSBKVSA-N 0 3 311.425 3.652 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H]2C[C@H](OCC)C23CCC3)c([O-])c1 ZINC000770352456 1023303581 /nfs/dbraw/zinc/30/35/81/1023303581.db2.gz NWRKERXYBLFSIP-ROUUACIJSA-N 0 3 319.445 3.570 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H]2C[C@H](OCC)C23CCC3)c([O-])c1 ZINC000770352456 1023303589 /nfs/dbraw/zinc/30/35/89/1023303589.db2.gz NWRKERXYBLFSIP-ROUUACIJSA-N 0 3 319.445 3.570 20 10 DHCDHN CC(C)(CCCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000771894659 1023487063 /nfs/dbraw/zinc/48/70/63/1023487063.db2.gz XNVYDOUUJLDNRV-UHFFFAOYSA-N 0 3 313.441 3.948 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000876805387 1033146635 /nfs/dbraw/zinc/14/66/35/1033146635.db2.gz ZQPSIWDTOJEIQX-PBHICJAKSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000876805387 1033146646 /nfs/dbraw/zinc/14/66/46/1033146646.db2.gz ZQPSIWDTOJEIQX-PBHICJAKSA-N 0 3 317.454 3.850 20 10 DHCDHN CN(C)c1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000785769403 1023617058 /nfs/dbraw/zinc/61/70/58/1023617058.db2.gz UIWWSDXTGCGGAG-UHFFFAOYSA-N 0 3 316.395 3.705 20 10 DHCDHN Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1[O-])N(C)C ZINC000785989654 1023649117 /nfs/dbraw/zinc/64/91/17/1023649117.db2.gz WTTBIXSDUYDOLG-KUHUBIRLSA-N 0 3 316.420 3.621 20 10 DHCDHN CO[C@H](CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000786949090 1023740500 /nfs/dbraw/zinc/74/05/00/1023740500.db2.gz IBRWXVIYNHEAJC-UBHAPETDSA-N 0 3 321.314 3.637 20 10 DHCDHN CCOc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000787042755 1023752679 /nfs/dbraw/zinc/75/26/79/1023752679.db2.gz SOGDUHUBSGCPMV-UHFFFAOYSA-N 0 3 316.420 3.922 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000787416846 1023790723 /nfs/dbraw/zinc/79/07/23/1023790723.db2.gz HWMYIYCHDLTRGU-AWEZNQCLSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000787416846 1023790727 /nfs/dbraw/zinc/79/07/27/1023790727.db2.gz HWMYIYCHDLTRGU-AWEZNQCLSA-N 0 3 317.351 3.954 20 10 DHCDHN Oc1cc2c(cc1O)CN(Cc1cccc3cccnc31)CCC2 ZINC001137178140 1024039641 /nfs/dbraw/zinc/03/96/41/1024039641.db2.gz VTQUMZFDIRGABS-UHFFFAOYSA-N 0 3 320.392 3.594 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cnc(C)nc2C)cc1 ZINC000268774816 1024159036 /nfs/dbraw/zinc/15/90/36/1024159036.db2.gz AUYMUBKJXFDAHS-CQSZACIVSA-N 0 3 312.461 3.790 20 10 DHCDHN CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000130725235 1024208825 /nfs/dbraw/zinc/20/88/25/1024208825.db2.gz FCJZVVYSMFGIET-UHFFFAOYSA-N 0 3 300.358 3.713 20 10 DHCDHN CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000130725235 1024208836 /nfs/dbraw/zinc/20/88/36/1024208836.db2.gz FCJZVVYSMFGIET-UHFFFAOYSA-N 0 3 300.358 3.713 20 10 DHCDHN [O-]c1c(F)cc(F)cc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000883028078 1024216257 /nfs/dbraw/zinc/21/62/57/1024216257.db2.gz ZGWDIHUMOMERML-UHFFFAOYSA-N 0 3 324.415 3.557 20 10 DHCDHN CCN(C(=O)c1cccc2c1CCNC2)c1cccc(C)c1C ZINC000662498714 1024225490 /nfs/dbraw/zinc/22/54/90/1024225490.db2.gz LEVAMNQHTSTPJY-UHFFFAOYSA-N 0 3 308.425 3.616 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000271672530 1024560203 /nfs/dbraw/zinc/56/02/03/1024560203.db2.gz GTKZFKYEZWKTFY-MRXNPFEDSA-N 0 3 301.386 3.650 20 10 DHCDHN CN(C)c1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000167980283 1024744114 /nfs/dbraw/zinc/74/41/14/1024744114.db2.gz VHSSTTXXTREPAG-UHFFFAOYSA-N 0 3 324.346 3.783 20 10 DHCDHN CCC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000793235307 1024950900 /nfs/dbraw/zinc/95/09/00/1024950900.db2.gz FVQFFAJGCPMNFE-SJLPKXTDSA-N 0 3 303.377 3.523 20 10 DHCDHN Oc1ccccc1CNCc1cc(Cl)ccc1OC(F)F ZINC000134236170 1025026048 /nfs/dbraw/zinc/02/60/48/1025026048.db2.gz PWRTZPYIHYRVTE-UHFFFAOYSA-N 0 3 313.731 3.937 20 10 DHCDHN [O-]c1ccccc1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000134227073 1025026384 /nfs/dbraw/zinc/02/63/84/1025026384.db2.gz QZBOOZSYAMAYJN-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN COc1ccc(C[NH2+]Cc2ccc3nc(C)ccc3c2)c([O-])c1 ZINC000793391425 1025031117 /nfs/dbraw/zinc/03/11/17/1025031117.db2.gz YHRCIBYZNLNMKR-UHFFFAOYSA-N 0 3 308.381 3.547 20 10 DHCDHN CC[C@@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000229552916 1025062478 /nfs/dbraw/zinc/06/24/78/1025062478.db2.gz XRKGUIROXWHFJD-OAHLLOKOSA-N 0 3 322.449 3.690 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CCc2ccc3c[nH]nc3c2)c1[O-] ZINC000793610839 1025129122 /nfs/dbraw/zinc/12/91/22/1025129122.db2.gz YWIOYTQGFLXBEU-UHFFFAOYSA-N 0 3 315.804 3.563 20 10 DHCDHN CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(C)cc1[O-] ZINC000279932841 1025512637 /nfs/dbraw/zinc/51/26/37/1025512637.db2.gz ATDAEOZBTIOPHZ-PBHICJAKSA-N 0 3 305.443 3.711 20 10 DHCDHN Cc1cc(CNCc2n[nH]c(C)c2C)c(C)n1-c1ccccc1 ZINC000886171382 1025544751 /nfs/dbraw/zinc/54/47/51/1025544751.db2.gz GEBBNQJYXNANQY-UHFFFAOYSA-N 0 3 308.429 3.724 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000806142110 1025801512 /nfs/dbraw/zinc/80/15/12/1025801512.db2.gz YNZMPGGTHSXJMC-MRXNPFEDSA-N 0 3 315.848 3.887 20 10 DHCDHN CCOc1cccc(CNC2(c3ccc(F)cc3)CC2)c1O ZINC000729685675 1026132701 /nfs/dbraw/zinc/13/27/01/1026132701.db2.gz JKZRSCXIZZPTMT-UHFFFAOYSA-N 0 3 301.361 3.709 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000289890227 1026222327 /nfs/dbraw/zinc/22/23/27/1026222327.db2.gz SOMQAIQZHGYWDW-LJQANCHMSA-N 0 3 309.409 3.576 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1[O-] ZINC000279966065 1026285352 /nfs/dbraw/zinc/28/53/52/1026285352.db2.gz CPEUXQTYFXGRDB-MRXNPFEDSA-N 0 3 300.358 3.850 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000808682833 1026347900 /nfs/dbraw/zinc/34/79/00/1026347900.db2.gz WUOGXVVSVYCNFV-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(O)cc2)c1[O-] ZINC000808682311 1026347949 /nfs/dbraw/zinc/34/79/49/1026347949.db2.gz OGNZKWNDAMLXGM-GFCCVEGCSA-N 0 3 305.805 3.953 20 10 DHCDHN CC[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])N1CCCC1 ZINC000808675740 1026353442 /nfs/dbraw/zinc/35/34/42/1026353442.db2.gz QTCFFMUTUVQCPQ-DZGCQCFKSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)c1[O-] ZINC000808673746 1026353908 /nfs/dbraw/zinc/35/39/08/1026353908.db2.gz SRLWSAQUPQTTQH-LBPRGKRZSA-N 0 3 308.853 3.631 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccccc1[O-] ZINC000808728145 1026371877 /nfs/dbraw/zinc/37/18/77/1026371877.db2.gz CQKUONFIWOILON-HOCLYGCPSA-N 0 3 301.361 3.576 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c1[O-] ZINC000808695955 1026372936 /nfs/dbraw/zinc/37/29/36/1026372936.db2.gz QIDOURYFHOFSRH-GIPWTMENSA-N 0 3 317.882 3.552 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1[O-] ZINC000808701424 1026375846 /nfs/dbraw/zinc/37/58/46/1026375846.db2.gz XIZNARYKZUTDOS-ZFWWWQNUSA-N 0 3 319.832 3.781 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1ccc(C)cc1[O-] ZINC000279975849 1026477075 /nfs/dbraw/zinc/47/70/75/1026477075.db2.gz DHVZIZOBYQFQJC-WQLIQUDQSA-N 0 3 323.502 3.821 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(C)cc1[O-] ZINC000279997907 1026571737 /nfs/dbraw/zinc/57/17/37/1026571737.db2.gz FRSMGNXRPXWDOA-PBHICJAKSA-N 0 3 301.434 3.583 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c([O-])c1 ZINC000809730287 1026597817 /nfs/dbraw/zinc/59/78/17/1026597817.db2.gz IJJMVSOCNNOWTK-UHFFFAOYSA-N 0 3 312.413 3.566 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000809789806 1026627855 /nfs/dbraw/zinc/62/78/55/1026627855.db2.gz HPLMWBGZXNXOPE-TXEJJXNPSA-N 0 3 317.351 3.954 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000809789806 1026627856 /nfs/dbraw/zinc/62/78/56/1026627856.db2.gz HPLMWBGZXNXOPE-TXEJJXNPSA-N 0 3 317.351 3.954 20 10 DHCDHN CC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])OC ZINC000810260187 1026720752 /nfs/dbraw/zinc/72/07/52/1026720752.db2.gz GTMIVRBOSVLAMS-PWSUYJOCSA-N 0 3 316.239 3.539 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512212 1027026866 /nfs/dbraw/zinc/02/68/66/1027026866.db2.gz HODSXRHJVTZZQM-IBGZPJMESA-N 0 3 313.372 3.501 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512212 1027026872 /nfs/dbraw/zinc/02/68/72/1027026872.db2.gz HODSXRHJVTZZQM-IBGZPJMESA-N 0 3 313.372 3.501 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000295196775 1027139389 /nfs/dbraw/zinc/13/93/89/1027139389.db2.gz YAZYIVOLWMCXBW-YPMHNXCESA-N 0 3 305.340 3.790 20 10 DHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cnc1Br ZINC000931553395 1027169180 /nfs/dbraw/zinc/16/91/80/1027169180.db2.gz CTPUSWZSAMPEKO-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1[O-] ZINC001170668031 1027211430 /nfs/dbraw/zinc/21/14/30/1027211430.db2.gz DZLSCWOLLSZNLY-BXUZGUMPSA-N 0 3 303.352 3.879 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(C)cc1[O-] ZINC000812738735 1027382717 /nfs/dbraw/zinc/38/27/17/1027382717.db2.gz ZVSJIEWQAHKHHZ-QGZVFWFLSA-N 0 3 309.413 3.828 20 10 DHCDHN COc1cc(C)cc(CNC2(c3cccc(F)c3)CC2)c1O ZINC000894279970 1027467953 /nfs/dbraw/zinc/46/79/53/1027467953.db2.gz FHKUVNOQRLHTOW-UHFFFAOYSA-N 0 3 301.361 3.627 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000296006513 1027518012 /nfs/dbraw/zinc/51/80/12/1027518012.db2.gz OPROVYICAGGLSO-SFHVURJKSA-N 0 3 308.425 3.770 20 10 DHCDHN Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296152425 1027559162 /nfs/dbraw/zinc/55/91/62/1027559162.db2.gz WTQSAQFEGQEXMK-QGZVFWFLSA-N 0 3 321.424 3.718 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1cccc(C(F)(F)F)n1)CC2 ZINC000296256800 1027588338 /nfs/dbraw/zinc/58/83/38/1027588338.db2.gz DCFHOLDASAUAAD-LBPRGKRZSA-N 0 3 308.303 3.583 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC000711498517 1027630097 /nfs/dbraw/zinc/63/00/97/1027630097.db2.gz PFYUGATXROUEGS-NSHDSACASA-N 0 3 316.214 3.645 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC000711498517 1027630092 /nfs/dbraw/zinc/63/00/92/1027630092.db2.gz PFYUGATXROUEGS-NSHDSACASA-N 0 3 316.214 3.645 20 10 DHCDHN CC[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363703 1027814429 /nfs/dbraw/zinc/81/44/29/1027814429.db2.gz OBEWZDVNMOMVNV-AZUAARDMSA-N 0 3 321.424 3.956 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365623102 1027987728 /nfs/dbraw/zinc/98/77/28/1027987728.db2.gz PQZXSOBAFFXADT-BPQIPLTHSA-N 0 3 301.430 3.877 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365623102 1027987743 /nfs/dbraw/zinc/98/77/43/1027987743.db2.gz PQZXSOBAFFXADT-BPQIPLTHSA-N 0 3 301.430 3.877 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c1[O-] ZINC000779038077 1027993124 /nfs/dbraw/zinc/99/31/24/1027993124.db2.gz INAIJICAYDKPGI-VHSXEESVSA-N 0 3 324.222 3.598 20 10 DHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1ccc(C)cc1[O-] ZINC000366472210 1028085998 /nfs/dbraw/zinc/08/59/98/1028085998.db2.gz KZNDOIRGBFMRCL-JVPBZIDWSA-N 0 3 311.425 3.962 20 10 DHCDHN CC[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1ccc(C)cc1[O-] ZINC000366472209 1028086189 /nfs/dbraw/zinc/08/61/89/1028086189.db2.gz KZNDOIRGBFMRCL-CCKFTAQKSA-N 0 3 311.425 3.962 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCC1CCOCC1)Cc1ccco1 ZINC000814627034 1028128761 /nfs/dbraw/zinc/12/87/61/1028128761.db2.gz CDZCLMIFSKAAQG-UHFFFAOYSA-N 0 3 315.413 3.804 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCC1CCOCC1)Cc1ccco1 ZINC000814627034 1028128767 /nfs/dbraw/zinc/12/87/67/1028128767.db2.gz CDZCLMIFSKAAQG-UHFFFAOYSA-N 0 3 315.413 3.804 20 10 DHCDHN CC(C)[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000814630844 1028131487 /nfs/dbraw/zinc/13/14/87/1028131487.db2.gz ZESAXOBYEOKLPF-UZLBHIALSA-N 0 3 313.441 3.972 20 10 DHCDHN CC(C)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000814630844 1028131495 /nfs/dbraw/zinc/13/14/95/1028131495.db2.gz ZESAXOBYEOKLPF-UZLBHIALSA-N 0 3 313.441 3.972 20 10 DHCDHN CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779074437 1028167456 /nfs/dbraw/zinc/16/74/56/1028167456.db2.gz SPHDDNIDAZTAHK-WDEREUQCSA-N 0 3 316.239 3.539 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000367376827 1028175259 /nfs/dbraw/zinc/17/52/59/1028175259.db2.gz DEERMQLXGBADIW-VQIMIIECSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000367376827 1028175267 /nfs/dbraw/zinc/17/52/67/1028175267.db2.gz DEERMQLXGBADIW-VQIMIIECSA-N 0 3 319.445 3.503 20 10 DHCDHN C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccccc1[O-] ZINC000188724764 1028528778 /nfs/dbraw/zinc/52/87/78/1028528778.db2.gz IWXBTKCDXHXOEQ-GFCCVEGCSA-N 0 3 307.340 3.887 20 10 DHCDHN CC[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577464 1028551930 /nfs/dbraw/zinc/55/19/30/1028551930.db2.gz QVMNSCKOXNGSRG-ICSRJNTNSA-N 0 3 313.441 3.817 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000815616898 1028572446 /nfs/dbraw/zinc/57/24/46/1028572446.db2.gz AWDYSUXBRUZBAM-GDIGMMSISA-N 0 3 303.446 3.865 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(OC2CCOCC2)CC1 ZINC000370213116 1028578765 /nfs/dbraw/zinc/57/87/65/1028578765.db2.gz RPADZLDYTXVDEA-SFHVURJKSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](n2nc(C)cc2C)C1 ZINC000372597183 1028874186 /nfs/dbraw/zinc/87/41/86/1028874186.db2.gz XUJIVPPEFIDESN-SJLPKXTDSA-N 0 3 313.445 3.994 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](n2nc(C)cc2C)C1 ZINC000372597183 1028874207 /nfs/dbraw/zinc/87/42/07/1028874207.db2.gz XUJIVPPEFIDESN-SJLPKXTDSA-N 0 3 313.445 3.994 20 10 DHCDHN CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549620 1028929554 /nfs/dbraw/zinc/92/95/54/1028929554.db2.gz UDMOKAHGCNISOC-GOSISDBHSA-N 0 3 312.457 3.900 20 10 DHCDHN Cc1nccn1CCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816610974 1028958596 /nfs/dbraw/zinc/95/85/96/1028958596.db2.gz DVUNAHVGCGLDDT-UHFFFAOYSA-N 0 3 309.413 3.572 20 10 DHCDHN Cc1nccn1CCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816610974 1028958604 /nfs/dbraw/zinc/95/86/04/1028958604.db2.gz DVUNAHVGCGLDDT-UHFFFAOYSA-N 0 3 309.413 3.572 20 10 DHCDHN C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608978 1028959133 /nfs/dbraw/zinc/95/91/33/1028959133.db2.gz OWBKSGCEXYNDHD-QAPCUYQASA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608978 1028959144 /nfs/dbraw/zinc/95/91/44/1028959144.db2.gz OWBKSGCEXYNDHD-QAPCUYQASA-N 0 3 310.441 3.604 20 10 DHCDHN [O-]c1c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816666937 1028984761 /nfs/dbraw/zinc/98/47/61/1028984761.db2.gz YKYZDAGNNXTWQE-UXHICEINSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816666937 1028984774 /nfs/dbraw/zinc/98/47/74/1028984774.db2.gz YKYZDAGNNXTWQE-UXHICEINSA-N 0 3 309.409 3.689 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccccc1[O-] ZINC000373461056 1029054244 /nfs/dbraw/zinc/05/42/44/1029054244.db2.gz UFJOVAUYZZABLF-CVEARBPZSA-N 0 3 313.397 3.965 20 10 DHCDHN COc1cccc(CN(Cc2ccc(F)cc2)C2CC2)c1O ZINC000155231711 1029205668 /nfs/dbraw/zinc/20/56/68/1029205668.db2.gz JLGLGUZYOQTLDG-UHFFFAOYSA-N 0 3 301.361 3.705 20 10 DHCDHN CC[C@H]([NH2+]CCCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817983849 1029318970 /nfs/dbraw/zinc/31/89/70/1029318970.db2.gz JWJJIVOWSZAYBS-ZDUSSCGKSA-N 0 3 317.260 3.882 20 10 DHCDHN COc1cc([C@@H](C)NCc2c(C)c3ccccc3n2C)ccn1 ZINC000570587829 1029389054 /nfs/dbraw/zinc/38/90/54/1029389054.db2.gz RGTPUQZPBXDHOL-CQSZACIVSA-N 0 3 309.413 3.741 20 10 DHCDHN CCCN(Cc1ccccc1O)Cc1c(C)cc(C)nc1OC ZINC000805743192 1029677230 /nfs/dbraw/zinc/67/72/30/1029677230.db2.gz SSYVFQLWABCRAK-UHFFFAOYSA-N 0 3 314.429 3.825 20 10 DHCDHN Cc1ncc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000865703106 1029980369 /nfs/dbraw/zinc/98/03/69/1029980369.db2.gz ULQXJRHXOJCESN-URWSZGRFSA-N 0 3 301.459 3.882 20 10 DHCDHN CCOc1ccc(O)c(CN(CC)[C@H](C)c2cccnc2)c1 ZINC000290557553 1030106283 /nfs/dbraw/zinc/10/62/83/1030106283.db2.gz SCZDJKABHPOSEJ-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000120965278 1030177633 /nfs/dbraw/zinc/17/76/33/1030177633.db2.gz SGEZHFXEXGMAGB-GOSISDBHSA-N 0 3 302.368 3.808 20 10 DHCDHN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1cccc(OC)n1 ZINC000925082020 1030267365 /nfs/dbraw/zinc/26/73/65/1030267365.db2.gz SZENHPCOAQZPLP-QGZVFWFLSA-N 0 3 313.445 3.706 20 10 DHCDHN CN1CCCc2cc(CNCc3cc4cccnc4o3)ccc21 ZINC000823730432 1030385343 /nfs/dbraw/zinc/38/53/43/1030385343.db2.gz WNEQAKGQDKOYNT-UHFFFAOYSA-N 0 3 307.397 3.500 20 10 DHCDHN C[C@H](NCc1cc(N)ccn1)c1ccc(N2CCCCCC2)cc1 ZINC000925770039 1030487846 /nfs/dbraw/zinc/48/78/46/1030487846.db2.gz FFNZQUWTLURBDZ-INIZCTEOSA-N 0 3 324.472 3.895 20 10 DHCDHN Cc1cccnc1CCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824783373 1030651080 /nfs/dbraw/zinc/65/10/80/1030651080.db2.gz JZWIGJNGMUJRNT-UHFFFAOYSA-N 0 3 304.821 3.780 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1[O-] ZINC000824954468 1030679953 /nfs/dbraw/zinc/67/99/53/1030679953.db2.gz QLMSNDNWIZJVEH-HHXXYDBFSA-N 0 3 312.413 3.748 20 10 DHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)c(F)c1)CC2 ZINC000122431156 1030702428 /nfs/dbraw/zinc/70/24/28/1030702428.db2.gz SFZFKYQDIWDHBX-GOSISDBHSA-N 0 3 314.404 3.677 20 10 DHCDHN COc1cc(Cl)cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000292222382 1030888357 /nfs/dbraw/zinc/88/83/57/1030888357.db2.gz AGXJXIXCVXCCOE-GXTWGEPZSA-N 0 3 317.763 3.531 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926904980 1030979557 /nfs/dbraw/zinc/97/95/57/1030979557.db2.gz KNULWSYKBVCNCD-CHIMOYNISA-N 0 3 321.314 3.682 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000321935876 1030985139 /nfs/dbraw/zinc/98/51/39/1030985139.db2.gz WCKBWWYCINPOFG-QGZVFWFLSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000321935876 1030985156 /nfs/dbraw/zinc/98/51/56/1030985156.db2.gz WCKBWWYCINPOFG-QGZVFWFLSA-N 0 3 310.441 3.606 20 10 DHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H](C)CO1 ZINC000844732729 1031321259 /nfs/dbraw/zinc/32/12/59/1031321259.db2.gz RILFYYCZEFEQPC-HIFRSBDPSA-N 0 3 315.413 3.553 20 10 DHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H](C)CO1 ZINC000844732729 1031321279 /nfs/dbraw/zinc/32/12/79/1031321279.db2.gz RILFYYCZEFEQPC-HIFRSBDPSA-N 0 3 315.413 3.553 20 10 DHCDHN Cc1nccnc1[C@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000872132463 1031526020 /nfs/dbraw/zinc/52/60/20/1031526020.db2.gz FXFPKKUFKNRWFJ-XHVZSJERSA-N 0 3 301.365 3.529 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929974848 1031666031 /nfs/dbraw/zinc/66/60/31/1031666031.db2.gz BVPCYTCXSQZKLA-NVXWUHKLSA-N 0 3 303.352 3.873 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929974848 1031666041 /nfs/dbraw/zinc/66/60/41/1031666041.db2.gz BVPCYTCXSQZKLA-NVXWUHKLSA-N 0 3 303.352 3.873 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cc(F)ccc1[O-] ZINC000873238406 1031769178 /nfs/dbraw/zinc/76/91/78/1031769178.db2.gz ZNSQXANGFRYNDM-STQMWFEESA-N 0 3 300.377 3.781 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C(C)C)s2)c1 ZINC000845972585 1031787964 /nfs/dbraw/zinc/78/79/64/1031787964.db2.gz PBFUSKKDRUHTCU-LLVKDONJSA-N 0 3 306.431 3.832 20 10 DHCDHN CC[C@H](OCC[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000846018131 1031809208 /nfs/dbraw/zinc/80/92/08/1031809208.db2.gz IIMIPDJMRCPPFI-SFHVURJKSA-N 0 3 315.413 3.658 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1[O-] ZINC000846035904 1031828872 /nfs/dbraw/zinc/82/88/72/1031828872.db2.gz VDUFFSVDUMINET-ZIAGYGMSSA-N 0 3 322.207 3.849 20 10 DHCDHN Cc1ccc(O)c([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846184485 1031915619 /nfs/dbraw/zinc/91/56/19/1031915619.db2.gz SENSKZWEOKGZMQ-JCGVRSQUSA-N 0 3 303.377 3.612 20 10 DHCDHN Cc1cccc(O)c1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000877570131 1033364255 /nfs/dbraw/zinc/36/42/55/1033364255.db2.gz CVRAMZJAGIUTTF-ZDUSSCGKSA-N 0 3 307.315 3.895 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c([O-])c1 ZINC000877607520 1033379161 /nfs/dbraw/zinc/37/91/61/1033379161.db2.gz HCRMSMPTBUDFFB-HXUWFJFHSA-N 0 3 323.436 3.860 20 10 DHCDHN Cc1ccc(C[N@@H+]2Cc3cccc([O-])c3C2)c(-c2cnn(C)c2)c1 ZINC000877703017 1033417114 /nfs/dbraw/zinc/41/71/14/1033417114.db2.gz ORSIBLAIBPESHD-UHFFFAOYSA-N 0 3 319.408 3.617 20 10 DHCDHN Cc1ccc(C[N@H+]2Cc3cccc([O-])c3C2)c(-c2cnn(C)c2)c1 ZINC000877703017 1033417123 /nfs/dbraw/zinc/41/71/23/1033417123.db2.gz ORSIBLAIBPESHD-UHFFFAOYSA-N 0 3 319.408 3.617 20 10 DHCDHN C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757397 1033434752 /nfs/dbraw/zinc/43/47/52/1033434752.db2.gz XKOXVRNOQYCTLB-KGLIPLIRSA-N 0 3 309.413 3.940 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C)c(Cl)n2)c1 ZINC000878360169 1033672590 /nfs/dbraw/zinc/67/25/90/1033672590.db2.gz IIFIMMQJACUBHO-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN CCOc1ccc(C(C)=O)cc1CN[C@H](C)c1ccccc1O ZINC000879649117 1034072145 /nfs/dbraw/zinc/07/21/45/1034072145.db2.gz MASKCPPLTWUNEG-CYBMUJFWSA-N 0 3 313.397 3.844 20 10 DHCDHN COc1cc(CN2CCC(F)(F)CC2)c(O)c(C(C)(C)C)c1 ZINC000794687048 1034339231 /nfs/dbraw/zinc/33/92/31/1034339231.db2.gz UBUKRIGQLTZYJX-UHFFFAOYSA-N 0 3 313.388 3.929 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000183372001 1034380311 /nfs/dbraw/zinc/38/03/11/1034380311.db2.gz YZTKQWFAZJZKGB-GOEBONIOSA-N 0 3 316.470 3.941 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183415282 1034385007 /nfs/dbraw/zinc/38/50/07/1034385007.db2.gz CNZYAXPSDDGZKK-CYBMUJFWSA-N 0 3 301.386 3.650 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1[O-] ZINC000183414245 1034386259 /nfs/dbraw/zinc/38/62/59/1034386259.db2.gz CGNKOHZSHBKMPZ-CQSZACIVSA-N 0 3 312.413 3.959 20 10 DHCDHN COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183501898 1034393456 /nfs/dbraw/zinc/39/34/56/1034393456.db2.gz NFKYPOBIUYLBIK-ZIAGYGMSSA-N 0 3 315.413 3.691 20 10 DHCDHN CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794798539 1034468144 /nfs/dbraw/zinc/46/81/44/1034468144.db2.gz VTNUSUFUZYCWQL-AWEZNQCLSA-N 0 3 318.383 3.626 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794801102 1034472181 /nfs/dbraw/zinc/47/21/81/1034472181.db2.gz HCVDLHFLEAMGPV-KRWDZBQOSA-N 0 3 303.377 3.959 20 10 DHCDHN CC[C@H]([NH2+][C@H](COC)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794805562 1034490921 /nfs/dbraw/zinc/49/09/21/1034490921.db2.gz XGCDWAOABFEBAE-HKUYNNGSSA-N 0 3 313.441 3.999 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794809229 1034518293 /nfs/dbraw/zinc/51/82/93/1034518293.db2.gz DNRFCVPVPGHATI-QZTJIDSGSA-N 0 3 324.424 3.547 20 10 DHCDHN CC[C@@H]([NH2+]CCCc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000794812332 1034530225 /nfs/dbraw/zinc/53/02/25/1034530225.db2.gz VVKIHACZEPEGRA-QGZVFWFLSA-N 0 3 302.418 3.979 20 10 DHCDHN CC[C@H](NCc1nn(C)c2ccccc12)c1ccc(C)cc1O ZINC000794817707 1034538767 /nfs/dbraw/zinc/53/87/67/1034538767.db2.gz VCTUTZVMUDEEIB-INIZCTEOSA-N 0 3 309.413 3.828 20 10 DHCDHN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185338286 1034542556 /nfs/dbraw/zinc/54/25/56/1034542556.db2.gz MFTZKYOKXDMGLU-AWEZNQCLSA-N 0 3 312.413 3.552 20 10 DHCDHN COc1ccc(COCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185861328 1034580405 /nfs/dbraw/zinc/58/04/05/1034580405.db2.gz HSFHVMUZPAKGQG-OAHLLOKOSA-N 0 3 315.413 3.577 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000186009505 1034593031 /nfs/dbraw/zinc/59/30/31/1034593031.db2.gz DJCJOLDBFWMPHX-BZNIZROVSA-N 0 3 317.360 3.714 20 10 DHCDHN CCn1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c(C)n1 ZINC001180076116 1035584761 /nfs/dbraw/zinc/58/47/61/1035584761.db2.gz ASPUUVDRXNQMHQ-UHFFFAOYSA-N 0 3 314.477 3.688 20 10 DHCDHN CCCn1cncc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001180288334 1035646327 /nfs/dbraw/zinc/64/63/27/1035646327.db2.gz DYCUXWIBNFVUMB-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CCCn1cncc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001180288334 1035646333 /nfs/dbraw/zinc/64/63/33/1035646333.db2.gz DYCUXWIBNFVUMB-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN COc1cc(C)c(C[NH2+]Cc2cccc(C(F)F)c2)c([O-])c1 ZINC001180897753 1035793140 /nfs/dbraw/zinc/79/31/40/1035793140.db2.gz YYTRUDNQHYKWFW-UHFFFAOYSA-N 0 3 307.340 3.937 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CC(Cc2ccc(Cl)cc2)C1 ZINC001182216051 1036142734 /nfs/dbraw/zinc/14/27/34/1036142734.db2.gz LNZADFFFBPEAAB-UHFFFAOYSA-N 0 3 305.780 3.859 20 10 DHCDHN COc1cccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000775641757 1036157735 /nfs/dbraw/zinc/15/77/35/1036157735.db2.gz DNNMHTQFIBXEGS-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000775641757 1036157741 /nfs/dbraw/zinc/15/77/41/1036157741.db2.gz DNNMHTQFIBXEGS-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000774486048 1036356070 /nfs/dbraw/zinc/35/60/70/1036356070.db2.gz UPIGDTBFCDCQPR-VMGRFDJRSA-N 0 3 315.388 3.711 20 10 DHCDHN CCC[N@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000775715825 1036533232 /nfs/dbraw/zinc/53/32/32/1036533232.db2.gz LVLIZCDEVBUWAA-KBAYOESNSA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000775715825 1036533238 /nfs/dbraw/zinc/53/32/38/1036533238.db2.gz LVLIZCDEVBUWAA-KBAYOESNSA-N 0 3 303.446 3.726 20 10 DHCDHN Cc1cc(CN2CCC(C)(F)CC2)c(O)cc1Br ZINC001250120935 1036645870 /nfs/dbraw/zinc/64/58/70/1036645870.db2.gz VKNSEJXHLZIVDC-UHFFFAOYSA-N 0 3 316.214 3.787 20 10 DHCDHN CN(C)c1cc(F)c(CNCCCOc2ccccc2)cc1F ZINC001199052618 1037189450 /nfs/dbraw/zinc/18/94/50/1037189450.db2.gz JACOPGLHMKZESO-UHFFFAOYSA-N 0 3 320.383 3.590 20 10 DHCDHN Cc1ccc(CC[NH2+]Cc2cc(Br)cc(C)c2[O-])o1 ZINC000775981572 1037272706 /nfs/dbraw/zinc/27/27/06/1037272706.db2.gz GHLNYBQMLXZXSL-UHFFFAOYSA-N 0 3 324.218 3.697 20 10 DHCDHN COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccccc2[O-])cc1F ZINC000761504911 1037340075 /nfs/dbraw/zinc/34/00/75/1037340075.db2.gz AOOLGGPXLZMKEA-AWEZNQCLSA-N 0 3 317.404 3.851 20 10 DHCDHN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccccc2[O-])cc1F ZINC000761504911 1037340091 /nfs/dbraw/zinc/34/00/91/1037340091.db2.gz AOOLGGPXLZMKEA-AWEZNQCLSA-N 0 3 317.404 3.851 20 10 DHCDHN C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000776044005 1037400545 /nfs/dbraw/zinc/40/05/45/1037400545.db2.gz YWZUNPQSOOMCOG-CYBMUJFWSA-N 0 3 310.869 3.646 20 10 DHCDHN C[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccccc1O ZINC000775135062 1037684322 /nfs/dbraw/zinc/68/43/22/1037684322.db2.gz CUFLTZZDCDTTIY-ZDUSSCGKSA-N 0 3 300.402 3.815 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000776230154 1037974770 /nfs/dbraw/zinc/97/47/70/1037974770.db2.gz HALQVUIEZKHMDP-PIGZYNQJSA-N 0 3 323.795 3.705 20 10 DHCDHN CCc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761216789 1040684156 /nfs/dbraw/zinc/68/41/56/1040684156.db2.gz XMCPCBBCOOIEDE-NSHDSACASA-N 0 3 320.820 3.862 20 10 DHCDHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000228793421 1041178782 /nfs/dbraw/zinc/17/87/82/1041178782.db2.gz OBXKQSABUGMOLL-UKRRQHHQSA-N 0 3 322.449 3.592 20 10 DHCDHN COc1cccc(C[NH+]2CCC(OC3CCCCC3)CC2)c1[O-] ZINC000092736132 185337657 /nfs/dbraw/zinc/33/76/57/185337657.db2.gz CRVTYXBRWMHEJE-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN CCCOc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)c(O)c1 ZINC000093438336 193251359 /nfs/dbraw/zinc/25/13/59/193251359.db2.gz LWIBWNCJEOFFAB-KRWDZBQOSA-N 0 3 315.417 3.631 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000272843578 130068501 /nfs/dbraw/zinc/06/85/01/130068501.db2.gz JWUKIAOHLVSULU-BONVTDFDSA-N 0 3 309.768 3.569 20 10 DHCDHN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cc2c(cc1O)CCCC2 ZINC000273527087 130132750 /nfs/dbraw/zinc/13/27/50/130132750.db2.gz VNHPKJGONPXUMW-SJCJKPOMSA-N 0 3 311.429 3.722 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000273537034 130133999 /nfs/dbraw/zinc/13/39/99/130133999.db2.gz XQHRVAJHUJVBQK-GJZGRUSLSA-N 0 3 321.486 3.796 20 10 DHCDHN Cc1ncc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000273590144 130142579 /nfs/dbraw/zinc/14/25/79/130142579.db2.gz OWJUWCBZQUOGIP-NSHDSACASA-N 0 3 302.443 3.887 20 10 DHCDHN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273595101 130142585 /nfs/dbraw/zinc/14/25/85/130142585.db2.gz QHKCAWDUFDOWLM-DGCLKSJQSA-N 0 3 302.418 3.896 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c([O-])c1C ZINC000273606695 130143208 /nfs/dbraw/zinc/14/32/08/130143208.db2.gz UHUPEYGKNSYMJP-CYBMUJFWSA-N 0 3 304.821 3.951 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273603172 130143597 /nfs/dbraw/zinc/14/35/97/130143597.db2.gz SLYMTLBYRZLBEH-OAHLLOKOSA-N 0 3 301.434 3.645 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccccc1[O-] ZINC000274959958 130276988 /nfs/dbraw/zinc/27/69/88/130276988.db2.gz WJVQVWZVLUEMPF-ULFGMLNVSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284033395 131042473 /nfs/dbraw/zinc/04/24/73/131042473.db2.gz JJTRXYXGCSYJQW-HNNXBMFYSA-N 0 3 301.434 3.645 20 10 DHCDHN COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000286931976 131256619 /nfs/dbraw/zinc/25/66/19/131256619.db2.gz ASPAFMYANLQFAC-ZDUSSCGKSA-N 0 3 314.385 3.730 20 10 DHCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000297229031 132005456 /nfs/dbraw/zinc/00/54/56/132005456.db2.gz HSTRIKOUSBVDPZ-RYUDHWBXSA-N 0 3 305.340 3.709 20 10 DHCDHN Cc1cccc2oc(CC[NH2+][C@H]3CCc4cccc([O-])c43)nc21 ZINC000297725637 132031178 /nfs/dbraw/zinc/03/11/78/132031178.db2.gz NKCPYNSKUGIOQG-AWEZNQCLSA-N 0 3 308.381 3.661 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000297941678 132041550 /nfs/dbraw/zinc/04/15/50/132041550.db2.gz YCMJCCKYPSBGJS-POAQFYNOSA-N 0 3 309.409 3.889 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(-n2cccn2)cc1 ZINC000297957758 132042249 /nfs/dbraw/zinc/04/22/49/132042249.db2.gz ZCARLVYRJRSGAQ-RDTXWAMCSA-N 0 3 319.408 3.916 20 10 DHCDHN C[C@@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294028551 335117061 /nfs/dbraw/zinc/11/70/61/335117061.db2.gz FJPYDCPZODDGFH-VQIMIIECSA-N 0 3 313.441 3.817 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2cn(C)nc2C)cc1 ZINC000178716342 333142655 /nfs/dbraw/zinc/14/26/55/333142655.db2.gz XOZJUJQUSNEMHT-KBPBESRZSA-N 0 3 300.450 3.596 20 10 DHCDHN CCOCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184990427 333203221 /nfs/dbraw/zinc/20/32/21/333203221.db2.gz ZBEIEEYDVRJJJE-CYBMUJFWSA-N 0 3 303.377 3.919 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cn1 ZINC000185398029 333208178 /nfs/dbraw/zinc/20/81/78/333208178.db2.gz OTYSMXODXNETIH-CQSZACIVSA-N 0 3 300.402 3.735 20 10 DHCDHN COc1cccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000295029774 335129723 /nfs/dbraw/zinc/12/97/23/335129723.db2.gz NTSZSHSICZKLEK-JQWIXIFHSA-N 0 3 303.324 3.564 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000119701079 333256916 /nfs/dbraw/zinc/25/69/16/333256916.db2.gz DNHRTZVSIAWRCI-NEPJUHHUSA-N 0 3 316.357 3.721 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000295938345 335138751 /nfs/dbraw/zinc/13/87/51/335138751.db2.gz GDXGMYHQYVTJTJ-ZDUSSCGKSA-N 0 3 300.358 3.763 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296182077 335140502 /nfs/dbraw/zinc/14/05/02/335140502.db2.gz XWQNENVHMRJBOX-RYUDHWBXSA-N 0 3 316.357 3.721 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c([O-])c1 ZINC000194374743 338516615 /nfs/dbraw/zinc/51/66/15/338516615.db2.gz KRJSQJXHGMROTE-OAHLLOKOSA-N 0 3 307.397 3.737 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000324680370 336244098 /nfs/dbraw/zinc/24/40/98/336244098.db2.gz OUSQFEOKGYWCPB-CYBMUJFWSA-N 0 3 323.396 3.642 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000324680370 336244099 /nfs/dbraw/zinc/24/40/99/336244099.db2.gz OUSQFEOKGYWCPB-CYBMUJFWSA-N 0 3 323.396 3.642 20 10 DHCDHN COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000192899841 336282265 /nfs/dbraw/zinc/28/22/65/336282265.db2.gz KIVUEZBYCFYNJP-CQSZACIVSA-N 0 3 315.413 3.611 20 10 DHCDHN COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000373267457 336954940 /nfs/dbraw/zinc/95/49/40/336954940.db2.gz KXDDRUCOOJBGQP-BBRMVZONSA-N 0 3 313.397 3.884 20 10 DHCDHN CN1CCc2cc(CNCc3cnc(C(C)(C)C)s3)ccc21 ZINC000373520850 336963535 /nfs/dbraw/zinc/96/35/35/336963535.db2.gz JMSUZDWSJFCXQG-UHFFFAOYSA-N 0 3 315.486 3.723 20 10 DHCDHN CC[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000373522981 336963560 /nfs/dbraw/zinc/96/35/60/336963560.db2.gz OGQJXFGRMMDNQK-UHOSZYNNSA-N 0 3 303.446 3.947 20 10 DHCDHN CC[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C)cc1[O-] ZINC000373522707 336963663 /nfs/dbraw/zinc/96/36/63/336963663.db2.gz NWUVLYKIZOBXPY-HTWSVDAQSA-N 0 3 302.462 3.758 20 10 DHCDHN CCOc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1[O-] ZINC000378049223 337065666 /nfs/dbraw/zinc/06/56/66/337065666.db2.gz RFOVQYDCOMGTML-UHFFFAOYSA-N 0 3 319.445 3.620 20 10 DHCDHN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406251 337072123 /nfs/dbraw/zinc/07/21/23/337072123.db2.gz UPSCRCBYJBDWNV-QRWLVFNGSA-N 0 3 309.457 3.590 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183551532 337192141 /nfs/dbraw/zinc/19/21/41/337192141.db2.gz VQIMMWMPGJTSBG-STQMWFEESA-N 0 3 318.367 3.600 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c1 ZINC000359973620 337441117 /nfs/dbraw/zinc/44/11/17/337441117.db2.gz LTVTXMAWFYDKJP-HNNXBMFYSA-N 0 3 321.424 3.952 20 10 DHCDHN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])c2ccccc21 ZINC000359999629 337441626 /nfs/dbraw/zinc/44/16/26/337441626.db2.gz OTGWUXARXLYHTQ-CXAGYDPISA-N 0 3 310.397 3.541 20 10 DHCDHN CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccccc1[O-] ZINC000528043638 337785539 /nfs/dbraw/zinc/78/55/39/337785539.db2.gz OSLXLJAVASXHQE-LPHOPBHVSA-N 0 3 312.413 3.988 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C2CC2)cn1 ZINC000528043817 337785584 /nfs/dbraw/zinc/78/55/84/337785584.db2.gz QIFWZUYQKVJXGM-BFUOFWGJSA-N 0 3 312.413 3.906 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1cnc2cc(C)ccn12 ZINC000475193949 339440948 /nfs/dbraw/zinc/44/09/48/339440948.db2.gz DINXWCUTPUKTMZ-UHFFFAOYSA-N 0 3 318.424 3.733 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000191124611 521155751 /nfs/dbraw/zinc/15/57/51/521155751.db2.gz GVNGSZGSRHOQHG-INIZCTEOSA-N 0 3 317.360 3.543 20 10 DHCDHN CCOc1cccc(CN[C@H]2CCOc3c(F)cccc32)c1O ZINC000191126465 521375930 /nfs/dbraw/zinc/37/59/30/521375930.db2.gz TVROIDHCIMPKOA-HNNXBMFYSA-N 0 3 317.360 3.543 20 10 DHCDHN CC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000156869352 522574359 /nfs/dbraw/zinc/57/43/59/522574359.db2.gz BSAXQIKKQLFULX-PKOBYXMFSA-N 0 3 311.425 3.947 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000365614509 523104566 /nfs/dbraw/zinc/10/45/66/523104566.db2.gz UMLMTZRKEKHVDW-HIFRSBDPSA-N 0 3 305.809 3.640 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000365614509 523104572 /nfs/dbraw/zinc/10/45/72/523104572.db2.gz UMLMTZRKEKHVDW-HIFRSBDPSA-N 0 3 305.809 3.640 20 10 DHCDHN COCCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185012462 524045747 /nfs/dbraw/zinc/04/57/47/524045747.db2.gz NKBKWWJMECYPNI-OAHLLOKOSA-N 0 3 315.413 3.577 20 10 DHCDHN COc1ccc(N2CCC(N[C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC000158135820 524404350 /nfs/dbraw/zinc/40/43/50/524404350.db2.gz RTYKGDPXHUFMOR-HNNXBMFYSA-N 0 3 314.429 3.916 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000182190772 524750520 /nfs/dbraw/zinc/75/05/20/524750520.db2.gz JEJHYMJXFCHGPV-UHFFFAOYSA-N 0 3 310.397 3.605 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cc(Cl)ccc2OC)c1 ZINC000182315160 524772202 /nfs/dbraw/zinc/77/22/02/524772202.db2.gz YOQWKTOJGYLYBH-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000129475801 525479807 /nfs/dbraw/zinc/47/98/07/525479807.db2.gz VUCAOEPNLKKJMV-INIZCTEOSA-N 0 3 320.440 3.789 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c([O-])c1 ZINC000365154443 525948226 /nfs/dbraw/zinc/94/82/26/525948226.db2.gz GPCFVITWYPCATD-DKICVRJWSA-N 0 3 311.425 3.647 20 10 DHCDHN COc1cccc(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c1[O-] ZINC000237374408 526016029 /nfs/dbraw/zinc/01/60/29/526016029.db2.gz VDSMHQIWHLAWDZ-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN COc1cccc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c1[O-] ZINC000266184685 526021312 /nfs/dbraw/zinc/02/13/12/526021312.db2.gz WKYJVBITCGXMLK-INIZCTEOSA-N 0 3 321.804 3.532 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185544890 527403948 /nfs/dbraw/zinc/40/39/48/527403948.db2.gz QTVKHBRKDIYQAN-GFCCVEGCSA-N 0 3 307.825 3.682 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286346354 535802720 /nfs/dbraw/zinc/80/27/20/535802720.db2.gz YOSGXFJVRLYLMN-MRXNPFEDSA-N 0 3 308.441 3.835 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000274916817 535804905 /nfs/dbraw/zinc/80/49/05/535804905.db2.gz OLDSHYQZOUOQNA-ZBFHGGJFSA-N 0 3 323.795 3.959 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000273390352 536896938 /nfs/dbraw/zinc/89/69/38/536896938.db2.gz KOIHEQSAVPJKNF-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000296633483 1013212843 /nfs/dbraw/zinc/21/28/43/1013212843.db2.gz BOENPXLERXLWAT-UONOGXRCSA-N 0 3 322.449 3.736 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccccc1[O-] ZINC000155240367 1013319299 /nfs/dbraw/zinc/31/92/99/1013319299.db2.gz YIYWSZIXFYKJHM-KRWDZBQOSA-N 0 3 313.445 3.874 20 10 DHCDHN COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000237182430 1014316588 /nfs/dbraw/zinc/31/65/88/1014316588.db2.gz NJIKTVWUYPEIRS-CQSZACIVSA-N 0 3 317.454 3.919 20 10 DHCDHN C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000320701246 1014469811 /nfs/dbraw/zinc/46/98/11/1014469811.db2.gz IKGCGYAYSZLHHH-CYBMUJFWSA-N 0 3 318.392 3.645 20 10 DHCDHN C[C@H](NCc1cncn1C)c1ccc(N2CCCCCC2)cc1 ZINC000289908494 1014670037 /nfs/dbraw/zinc/67/00/37/1014670037.db2.gz UGBYVOIMDOXRLQ-INIZCTEOSA-N 0 3 312.461 3.651 20 10 DHCDHN COc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c([O-])c1OC ZINC000891781563 1015614944 /nfs/dbraw/zinc/61/49/44/1015614944.db2.gz JFEODKXRHMXNEN-HNNXBMFYSA-N 0 3 305.418 3.564 20 10 DHCDHN COc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)c([O-])c1OC ZINC000891781563 1015614948 /nfs/dbraw/zinc/61/49/48/1015614948.db2.gz JFEODKXRHMXNEN-HNNXBMFYSA-N 0 3 305.418 3.564 20 10 DHCDHN Cc1noc(C[C@H]([NH2+][C@H](C)c2ccccc2[O-])c2ccccc2)n1 ZINC000277178443 1016014927 /nfs/dbraw/zinc/01/49/27/1016014927.db2.gz SSJKXRBKIZNQTE-DYVFJYSZSA-N 0 3 323.396 3.718 20 10 DHCDHN CN(C)c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1F ZINC000281292960 1016452471 /nfs/dbraw/zinc/45/24/71/1016452471.db2.gz QQIXWSPTBFIUJU-GOSISDBHSA-N 0 3 317.383 3.667 20 10 DHCDHN C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1cncc(F)c1 ZINC000840770523 1016941095 /nfs/dbraw/zinc/94/10/95/1016941095.db2.gz RYHNFHUUJMMBIQ-PKFCDNJMSA-N 0 3 304.340 3.965 20 10 DHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1cccc(F)c1)OCO2 ZINC000054569571 1032413899 /nfs/dbraw/zinc/41/38/99/1032413899.db2.gz NFMUXZQDBCFVLH-OAHLLOKOSA-N 0 3 315.344 3.597 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1[O-] ZINC000192848072 1017099002 /nfs/dbraw/zinc/09/90/02/1017099002.db2.gz CDCYSCUCRPWWJZ-BLLLJJGKSA-N 0 3 313.401 3.685 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108372 1032562161 /nfs/dbraw/zinc/56/21/61/1032562161.db2.gz XAACTEMVYBGURO-HRAATJIYSA-N 0 3 323.484 3.980 20 10 DHCDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000160177445 1011934584 /nfs/dbraw/zinc/93/45/84/1011934584.db2.gz VBAIJHOSTLGWGG-MRXNPFEDSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000160177445 1011934590 /nfs/dbraw/zinc/93/45/90/1011934590.db2.gz VBAIJHOSTLGWGG-MRXNPFEDSA-N 0 3 317.454 3.943 20 10 DHCDHN CCOc1cc(C)ccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000185706376 1017121263 /nfs/dbraw/zinc/12/12/63/1017121263.db2.gz BYDHIJKZZGRKRZ-CQSZACIVSA-N 0 3 315.413 3.959 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916507 1017226888 /nfs/dbraw/zinc/22/68/88/1017226888.db2.gz MPIHYGWXOUNNGR-DLBZAZTESA-N 0 3 314.429 3.863 20 10 DHCDHN C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000716296093 1032691082 /nfs/dbraw/zinc/69/10/82/1032691082.db2.gz KBNUQDGOGDEDBG-NVPAJSRCSA-N 0 3 315.388 3.930 20 10 DHCDHN COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000840889155 1017405803 /nfs/dbraw/zinc/40/58/03/1017405803.db2.gz PBLPSWUMBZTFNU-SZMVWBNQSA-N 0 3 309.409 3.781 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000766082706 1018196408 /nfs/dbraw/zinc/19/64/08/1018196408.db2.gz BESJYZSKYZNITF-AWEZNQCLSA-N 0 3 316.424 3.698 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccc(F)nc2C)cc1 ZINC000278368279 1018622189 /nfs/dbraw/zinc/62/21/89/1018622189.db2.gz JZEKULZHKPIAJJ-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc(F)ccc1[O-] ZINC000278564814 1018835742 /nfs/dbraw/zinc/83/57/42/1018835742.db2.gz WXOVKRPRIUQPDL-LBPRGKRZSA-N 0 3 300.377 3.656 20 10 DHCDHN CN(C)c1cc(F)c(CNC[C@]2(C)CC2(Cl)Cl)cc1F ZINC000858173010 1032790390 /nfs/dbraw/zinc/79/03/90/1032790390.db2.gz NTVZLOHDAWMQMJ-ZDUSSCGKSA-N 0 3 323.214 3.704 20 10 DHCDHN Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000765610528 1019001714 /nfs/dbraw/zinc/00/17/14/1019001714.db2.gz VUZPAPCIMRHLJW-GOSISDBHSA-N 0 3 309.409 3.933 20 10 DHCDHN CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186934 1019642424 /nfs/dbraw/zinc/64/24/24/1019642424.db2.gz JWXBHDIKUAYQFX-ZUZCIYMTSA-N 0 3 304.390 3.808 20 10 DHCDHN CN(C)c1ccc(CNCc2ccc3cnccc3c2)cc1F ZINC000785441656 1020257649 /nfs/dbraw/zinc/25/76/49/1020257649.db2.gz LRVPLQXNNMOIOV-UHFFFAOYSA-N 0 3 309.388 3.730 20 10 DHCDHN COc1ccnc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613465 1020419300 /nfs/dbraw/zinc/41/93/00/1020419300.db2.gz XHFYDBMITSAIJL-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN COc1ccnc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613465 1020419302 /nfs/dbraw/zinc/41/93/02/1020419302.db2.gz XHFYDBMITSAIJL-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN CCOC(=O)C1(C)CCC([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001171943985 1032947996 /nfs/dbraw/zinc/94/79/96/1032947996.db2.gz IVPDLNZQTQADFJ-UHFFFAOYSA-N 0 3 319.445 3.611 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCO1 ZINC000776265657 1021206879 /nfs/dbraw/zinc/20/68/79/1021206879.db2.gz OHVDPMWCCJFFBZ-IEBWSBKVSA-N 0 3 311.425 3.835 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(C)cc(C)c1 ZINC000743870571 1021396188 /nfs/dbraw/zinc/39/61/88/1021396188.db2.gz XXEKJHHCVHTDTD-FQEVSTJZSA-N 0 3 313.441 3.955 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(C)cc(C)c1 ZINC000743870571 1021396210 /nfs/dbraw/zinc/39/62/10/1021396210.db2.gz XXEKJHHCVHTDTD-FQEVSTJZSA-N 0 3 313.441 3.955 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1nccn1C(C)C ZINC000850327962 1021475718 /nfs/dbraw/zinc/47/57/18/1021475718.db2.gz OGJDRCOJTPLAOL-INIZCTEOSA-N 0 3 314.477 3.559 20 10 DHCDHN COc1ccc(N2CC[C@H](NCc3cscc3Cl)C2)cc1 ZINC000850346785 1021480423 /nfs/dbraw/zinc/48/04/23/1021480423.db2.gz JZEJYSWRPIJHPH-ZDUSSCGKSA-N 0 3 322.861 3.779 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368340 1021489847 /nfs/dbraw/zinc/48/98/47/1021489847.db2.gz BUGUSFJORTYQEI-WOJBJXKFSA-N 0 3 310.441 3.801 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C(F)F)nc1 ZINC000850430083 1021529228 /nfs/dbraw/zinc/52/92/28/1021529228.db2.gz MZBCKSNHVXCYHD-NSHDSACASA-N 0 3 304.340 3.805 20 10 DHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486766 1021560383 /nfs/dbraw/zinc/56/03/83/1021560383.db2.gz JYRMKXYEHHGCIN-GDBMZVCRSA-N 0 3 314.429 3.835 20 10 DHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488934 1021560762 /nfs/dbraw/zinc/56/07/62/1021560762.db2.gz PPZYMHBTCMMNTQ-HUUCEWRRSA-N 0 3 300.402 3.526 20 10 DHCDHN C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000850505064 1021565306 /nfs/dbraw/zinc/56/53/06/1021565306.db2.gz LZLFXKWLFSIIEE-NHYWBVRUSA-N 0 3 317.351 3.933 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1cccc(OC3CC3)c1F)CC2 ZINC000850521409 1021576061 /nfs/dbraw/zinc/57/60/61/1021576061.db2.gz UXAZAOPUKIBGMA-HNNXBMFYSA-N 0 3 313.372 3.850 20 10 DHCDHN C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000850523101 1021576128 /nfs/dbraw/zinc/57/61/28/1021576128.db2.gz YWPTYANHLILPSM-NEPJUHHUSA-N 0 3 307.340 3.789 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000850526390 1021579321 /nfs/dbraw/zinc/57/93/21/1021579321.db2.gz BRZNSRNOIGXBNA-LUDXLNSESA-N 0 3 313.372 3.848 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850584845 1021625288 /nfs/dbraw/zinc/62/52/88/1021625288.db2.gz UAAPSJMPHXLLPQ-TWOQFEAHSA-N 0 3 312.457 3.915 20 10 DHCDHN CC[N@H+](Cc1c([O-])ccc(Cl)c1Cl)C1CCN(C)CC1 ZINC001237081554 1021644723 /nfs/dbraw/zinc/64/47/23/1021644723.db2.gz LWOPAAUBKXUXKW-UHFFFAOYSA-N 0 3 317.260 3.615 20 10 DHCDHN CC[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)C1CCN(C)CC1 ZINC001237081554 1021644729 /nfs/dbraw/zinc/64/47/29/1021644729.db2.gz LWOPAAUBKXUXKW-UHFFFAOYSA-N 0 3 317.260 3.615 20 10 DHCDHN CCN(Cc1c([O-])ccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC001237081554 1021644734 /nfs/dbraw/zinc/64/47/34/1021644734.db2.gz LWOPAAUBKXUXKW-UHFFFAOYSA-N 0 3 317.260 3.615 20 10 DHCDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000182873062 1021844663 /nfs/dbraw/zinc/84/46/63/1021844663.db2.gz XHOPFWIIKWCSPQ-ZDUSSCGKSA-N 0 3 300.358 3.802 20 10 DHCDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000182873062 1021844688 /nfs/dbraw/zinc/84/46/88/1021844688.db2.gz XHOPFWIIKWCSPQ-ZDUSSCGKSA-N 0 3 300.358 3.802 20 10 DHCDHN CCOc1ccc(CN[C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000752266250 1022046860 /nfs/dbraw/zinc/04/68/60/1022046860.db2.gz OBVIVYNLLMMBDY-LLVKDONJSA-N 0 3 307.340 3.920 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2ccccc2C)cc1 ZINC000766399202 1022092801 /nfs/dbraw/zinc/09/28/01/1022092801.db2.gz JMDDZMGNSZRNKT-JXFKEZNVSA-N 0 3 312.457 3.835 20 10 DHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000920304931 1022100393 /nfs/dbraw/zinc/10/03/93/1022100393.db2.gz GOTLLNRFUYFUDG-OXJNMPFZSA-N 0 3 311.425 3.971 20 10 DHCDHN CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183425279 1022142928 /nfs/dbraw/zinc/14/29/28/1022142928.db2.gz KSOJBFPCKDABIM-CQSZACIVSA-N 0 3 312.413 3.982 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccccc1[O-] ZINC000183455830 1022147613 /nfs/dbraw/zinc/14/76/13/1022147613.db2.gz QTUNFNUWTZLSSZ-UONOGXRCSA-N 0 3 316.470 3.551 20 10 DHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183556519 1022190325 /nfs/dbraw/zinc/19/03/25/1022190325.db2.gz QUBLQUXQRGDIBP-RYRKJORJSA-N 0 3 310.441 3.706 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1[O-] ZINC000853240158 1022241303 /nfs/dbraw/zinc/24/13/03/1022241303.db2.gz GZRAWZCFXPWAGU-CZUORRHYSA-N 0 3 319.445 3.801 20 10 DHCDHN CCC[N@H+](CCCCCn1cc(C)cn1)Cc1ccccc1[O-] ZINC000111214354 1022250867 /nfs/dbraw/zinc/25/08/67/1022250867.db2.gz VSJNMZXBZULYAD-UHFFFAOYSA-N 0 3 315.461 3.980 20 10 DHCDHN CCC[N@@H+](CCCCCn1cc(C)cn1)Cc1ccccc1[O-] ZINC000111214354 1022250874 /nfs/dbraw/zinc/25/08/74/1022250874.db2.gz VSJNMZXBZULYAD-UHFFFAOYSA-N 0 3 315.461 3.980 20 10 DHCDHN Cc1csc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000756403465 1022264451 /nfs/dbraw/zinc/26/44/51/1022264451.db2.gz YKCPCIMPFGTPMK-SKDRFNHKSA-N 0 3 306.406 3.677 20 10 DHCDHN C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183444224 1022347184 /nfs/dbraw/zinc/34/71/84/1022347184.db2.gz PUGIAUFMCRSUNA-NEPJUHHUSA-N 0 3 307.340 3.789 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000183538833 1022351777 /nfs/dbraw/zinc/35/17/77/1022351777.db2.gz SRYWTPXNWGHLID-GJZGRUSLSA-N 0 3 307.397 3.990 20 10 DHCDHN CC(C)C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000179576586 1022481501 /nfs/dbraw/zinc/48/15/01/1022481501.db2.gz MEWIAGXROOVSDE-LJQANCHMSA-N 0 3 317.404 3.723 20 10 DHCDHN CC(C)C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000179576586 1022481507 /nfs/dbraw/zinc/48/15/07/1022481507.db2.gz MEWIAGXROOVSDE-LJQANCHMSA-N 0 3 317.404 3.723 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(F)ccc1[O-] ZINC000185405481 1022483053 /nfs/dbraw/zinc/48/30/53/1022483053.db2.gz CXKJAGNNWUQZKZ-QWHCGFSZSA-N 0 3 301.361 3.748 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CF)C2)cc1Br ZINC001237678725 1022534132 /nfs/dbraw/zinc/53/41/32/1022534132.db2.gz LNBPPCZYVSWOCD-NSHDSACASA-N 0 3 316.214 3.645 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CF)C2)cc1Br ZINC001237678725 1022534144 /nfs/dbraw/zinc/53/41/44/1022534144.db2.gz LNBPPCZYVSWOCD-NSHDSACASA-N 0 3 316.214 3.645 20 10 DHCDHN C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000310081248 1022550655 /nfs/dbraw/zinc/55/06/55/1022550655.db2.gz JLBRBZKNMDZVKV-UWJYYQICSA-N 0 3 324.468 3.955 20 10 DHCDHN Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000179876077 1022563734 /nfs/dbraw/zinc/56/37/34/1022563734.db2.gz HOJJSZJEXGOEOE-HNNXBMFYSA-N 0 3 312.413 3.607 20 10 DHCDHN CN(C)c1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000179877664 1022570942 /nfs/dbraw/zinc/57/09/42/1022570942.db2.gz SGNGEQNYVSIHAX-UHFFFAOYSA-N 0 3 322.452 3.848 20 10 DHCDHN CCOc1cccc(CN2CCc3sccc3[C@H]2C)c1O ZINC000768211026 1022926237 /nfs/dbraw/zinc/92/62/37/1022926237.db2.gz WTMUYIABGUQVEH-GFCCVEGCSA-N 0 3 303.427 3.972 20 10 DHCDHN CCOc1ccc(CN(Cc2ccc(C)o2)C2CC2)c(O)c1 ZINC000768264389 1022936128 /nfs/dbraw/zinc/93/61/28/1022936128.db2.gz NECQMBVRDXSWRQ-UHFFFAOYSA-N 0 3 301.386 3.857 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000768365180 1022952371 /nfs/dbraw/zinc/95/23/71/1022952371.db2.gz QRTFUKCKCLRKPL-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000768365180 1022952372 /nfs/dbraw/zinc/95/23/72/1022952372.db2.gz QRTFUKCKCLRKPL-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN Cc1cc([C@H]2CCCN2Cc2cc3c(cc2O)CCCC3)on1 ZINC000768439344 1022968024 /nfs/dbraw/zinc/96/80/24/1022968024.db2.gz KJXKIODIDXZJCB-QGZVFWFLSA-N 0 3 312.413 3.905 20 10 DHCDHN CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464741 1022972884 /nfs/dbraw/zinc/97/28/84/1022972884.db2.gz TVBUPNFPPVOXCN-QAPCUYQASA-N 0 3 319.445 3.609 20 10 DHCDHN CC(C)CC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464741 1022972892 /nfs/dbraw/zinc/97/28/92/1022972892.db2.gz TVBUPNFPPVOXCN-QAPCUYQASA-N 0 3 319.445 3.609 20 10 DHCDHN CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCOC1 ZINC000768520651 1022979333 /nfs/dbraw/zinc/97/93/33/1022979333.db2.gz GXKVBLMFNZCMAL-INIZCTEOSA-N 0 3 311.425 3.918 20 10 DHCDHN CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCOC1 ZINC000768520651 1022979347 /nfs/dbraw/zinc/97/93/47/1022979347.db2.gz GXKVBLMFNZCMAL-INIZCTEOSA-N 0 3 311.425 3.918 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc(Br)c1)CC2 ZINC000297716187 1023022306 /nfs/dbraw/zinc/02/23/06/1023022306.db2.gz MZWFZUHMGPNVPK-CQSZACIVSA-N 0 3 318.214 3.932 20 10 DHCDHN CCN(Cc1c(O)cccc1OC)[C@H](C)c1cccc(O)c1 ZINC000768872169 1023043682 /nfs/dbraw/zinc/04/36/82/1023043682.db2.gz FBAOJPFMGUBSIY-CYBMUJFWSA-N 0 3 301.386 3.690 20 10 DHCDHN CCN(Cc1ccccc1)c1ccc(CN2CCCOCC2)cc1 ZINC000768891735 1023049388 /nfs/dbraw/zinc/04/93/88/1023049388.db2.gz WTCOKRSHGLKRSQ-UHFFFAOYSA-N 0 3 324.468 3.935 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000769338063 1023126966 /nfs/dbraw/zinc/12/69/66/1023126966.db2.gz KKUATQNHCXDJMH-HNNXBMFYSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000769338063 1023126971 /nfs/dbraw/zinc/12/69/71/1023126971.db2.gz KKUATQNHCXDJMH-HNNXBMFYSA-N 0 3 315.388 3.920 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000769378165 1023135589 /nfs/dbraw/zinc/13/55/89/1023135589.db2.gz ADNGLHJOTWPWHE-CYBMUJFWSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000769378165 1023135585 /nfs/dbraw/zinc/13/55/85/1023135585.db2.gz ADNGLHJOTWPWHE-CYBMUJFWSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000769467859 1023161841 /nfs/dbraw/zinc/16/18/41/1023161841.db2.gz ZXGVDNADJDVFOX-UHFFFAOYSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)c([O-])c1 ZINC000769551084 1023177696 /nfs/dbraw/zinc/17/76/96/1023177696.db2.gz UZESNOCXNZRITD-ZBFHGGJFSA-N 0 3 309.475 3.897 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)c([O-])c1 ZINC000769551084 1023177700 /nfs/dbraw/zinc/17/77/00/1023177700.db2.gz UZESNOCXNZRITD-ZBFHGGJFSA-N 0 3 309.475 3.897 20 10 DHCDHN COc1ccc(CC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000770510862 1023316941 /nfs/dbraw/zinc/31/69/41/1023316941.db2.gz SQLMIJGQQRMVSM-UHFFFAOYSA-N 0 3 311.425 3.856 20 10 DHCDHN CCN(CC)c1ccc(CN2CCC(COC)CC2)cc1F ZINC000093103580 1023444627 /nfs/dbraw/zinc/44/46/27/1023444627.db2.gz MHKZIMHKJCFJSK-UHFFFAOYSA-N 0 3 308.441 3.530 20 10 DHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000876804190 1033146720 /nfs/dbraw/zinc/14/67/20/1033146720.db2.gz NJHKSAXROSNMEX-WBVHZDCISA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000876804190 1033146727 /nfs/dbraw/zinc/14/67/27/1033146727.db2.gz NJHKSAXROSNMEX-WBVHZDCISA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000788600390 1023911596 /nfs/dbraw/zinc/91/15/96/1023911596.db2.gz CKOVLRCEBYMJEH-SJLPKXTDSA-N 0 3 313.441 3.826 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c([O-])c1 ZINC000788693331 1023921187 /nfs/dbraw/zinc/92/11/87/1023921187.db2.gz SFFNHEXSVAERGS-CVEARBPZSA-N 0 3 305.462 3.848 20 10 DHCDHN CSC1(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000788841670 1023942723 /nfs/dbraw/zinc/94/27/23/1023942723.db2.gz WHKBQHWFOYGOOZ-UHFFFAOYSA-N 0 3 303.427 3.883 20 10 DHCDHN CSC1(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000788841670 1023942726 /nfs/dbraw/zinc/94/27/26/1023942726.db2.gz WHKBQHWFOYGOOZ-UHFFFAOYSA-N 0 3 303.427 3.883 20 10 DHCDHN CC(C)=CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000790997164 1024415972 /nfs/dbraw/zinc/41/59/72/1024415972.db2.gz PZWKZCVDGRFXNZ-UHFFFAOYSA-N 0 3 303.406 3.641 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388074 1024423126 /nfs/dbraw/zinc/42/31/26/1024423126.db2.gz LRJRXAUCWFUSHE-ROUUACIJSA-N 0 3 319.408 3.607 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)c([O-])c1 ZINC000877042496 1033218256 /nfs/dbraw/zinc/21/82/56/1033218256.db2.gz RXJWPPHLSDYNDG-HXUWFJFHSA-N 0 3 311.425 3.958 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1[O-] ZINC000792182916 1024643592 /nfs/dbraw/zinc/64/35/92/1024643592.db2.gz GFSQHIUKJBHZPQ-UHFFFAOYSA-N 0 3 320.776 3.860 20 10 DHCDHN CCc1ccc([C@@H]2CN(Cc3cccc(C)c3O)CCO2)cc1 ZINC000792189986 1024645147 /nfs/dbraw/zinc/64/51/47/1024645147.db2.gz PPXXXADFVWXGGO-IBGZPJMESA-N 0 3 311.425 3.837 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)(C)OC[C@@H]3C)c2c1 ZINC000792724815 1024782886 /nfs/dbraw/zinc/78/28/86/1024782886.db2.gz ATVKXLQITJEKMC-ZDUSSCGKSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)(C)OC[C@@H]3C)c2c1 ZINC000792724815 1024782899 /nfs/dbraw/zinc/78/28/99/1024782899.db2.gz ATVKXLQITJEKMC-ZDUSSCGKSA-N 0 3 315.413 3.553 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000877119216 1033244351 /nfs/dbraw/zinc/24/43/51/1033244351.db2.gz VBXOUUHXRNQAQP-QFBILLFUSA-N 0 3 311.425 3.958 20 10 DHCDHN C[C@H]([NH2+]CCc1cccc2cccnc21)c1cc(F)ccc1[O-] ZINC000321511102 1024936748 /nfs/dbraw/zinc/93/67/48/1024936748.db2.gz FQETYWSINUQQCY-ZDUSSCGKSA-N 0 3 310.372 3.973 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793255790 1024967612 /nfs/dbraw/zinc/96/76/12/1024967612.db2.gz BOEXPWIFBBQKMC-KRWDZBQOSA-N 0 3 309.409 3.528 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000279485274 1025046194 /nfs/dbraw/zinc/04/61/94/1025046194.db2.gz LDFGAWSCHKPRSL-DIFFPNOSSA-N 0 3 323.795 3.877 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279564972 1025076182 /nfs/dbraw/zinc/07/61/82/1025076182.db2.gz SDXQJECPEVBPGH-MGPLVRAMSA-N 0 3 309.768 3.569 20 10 DHCDHN COCc1ccc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)o1 ZINC000137073913 1025496039 /nfs/dbraw/zinc/49/60/39/1025496039.db2.gz KXLCDKVXACUMQF-GOSISDBHSA-N 0 3 314.429 3.829 20 10 DHCDHN CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(C)cc1[O-] ZINC000279935387 1025512317 /nfs/dbraw/zinc/51/23/17/1025512317.db2.gz AYAYAYPWGOPYKH-QGZVFWFLSA-N 0 3 312.413 3.770 20 10 DHCDHN Cc1ccc(CNC(C)(C)c2nc3ccccc3n2C)c(O)c1 ZINC000877398000 1033293960 /nfs/dbraw/zinc/29/39/60/1033293960.db2.gz DEPWXHJBYUDWIS-UHFFFAOYSA-N 0 3 309.413 3.612 20 10 DHCDHN CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])c2ccccc21 ZINC000359999630 1025734359 /nfs/dbraw/zinc/73/43/59/1025734359.db2.gz OTGWUXARXLYHTQ-DYVFJYSZSA-N 0 3 310.397 3.541 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000077468179 1025900102 /nfs/dbraw/zinc/90/01/02/1025900102.db2.gz GZSYOEXRJWHMMY-HXUWFJFHSA-N 0 3 312.457 3.746 20 10 DHCDHN COc1c(Cl)cccc1CNCc1cc(C)c(C)cc1O ZINC000897483300 1025901908 /nfs/dbraw/zinc/90/19/08/1025901908.db2.gz ONBZCXKUQQFPRL-UHFFFAOYSA-N 0 3 305.805 3.961 20 10 DHCDHN C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000248385372 1025953334 /nfs/dbraw/zinc/95/33/34/1025953334.db2.gz IDXMZQYBETVGKC-VFVRVIDISA-N 0 3 303.377 3.694 20 10 DHCDHN COc1ccc(F)cc1[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894187489 1026335916 /nfs/dbraw/zinc/33/59/16/1026335916.db2.gz KFFKQYZHDVRWRW-GFCCVEGCSA-N 0 3 319.376 3.708 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808691757 1026349811 /nfs/dbraw/zinc/34/98/11/1026349811.db2.gz NOMVWYGIKQZCIT-YPMHNXCESA-N 0 3 321.852 3.846 20 10 DHCDHN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808693107 1026349988 /nfs/dbraw/zinc/34/99/88/1026349988.db2.gz WCABVSIUFFWORL-WDEREUQCSA-N 0 3 307.825 3.808 20 10 DHCDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000808688175 1026350613 /nfs/dbraw/zinc/35/06/13/1026350613.db2.gz PFTXLDQTGOASSP-MRXNPFEDSA-N 0 3 313.372 3.546 20 10 DHCDHN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808675035 1026352804 /nfs/dbraw/zinc/35/28/04/1026352804.db2.gz UTKNQRMXKTWAKF-LBPRGKRZSA-N 0 3 307.825 3.669 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1[O-] ZINC000808679627 1026356144 /nfs/dbraw/zinc/35/61/44/1026356144.db2.gz VIVNNEMNDHHYNA-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cccc(NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808706955 1026358344 /nfs/dbraw/zinc/35/83/44/1026358344.db2.gz XWXGHTJTMYYATM-ZDUSSCGKSA-N 0 3 319.836 3.820 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c1[O-] ZINC000808707722 1026360214 /nfs/dbraw/zinc/36/02/14/1026360214.db2.gz WTFIMXZSOUCTLN-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)N[C@H](CO)c2cccc(F)c2)c1O ZINC000808707722 1026360223 /nfs/dbraw/zinc/36/02/23/1026360223.db2.gz WTFIMXZSOUCTLN-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c1[O-] ZINC000808707720 1026360716 /nfs/dbraw/zinc/36/07/16/1026360716.db2.gz WTFIMXZSOUCTLN-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)N[C@H](CO)c2cccc(F)c2)c1O ZINC000808707720 1026360730 /nfs/dbraw/zinc/36/07/30/1026360730.db2.gz WTFIMXZSOUCTLN-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)c1[O-] ZINC000808701613 1026374795 /nfs/dbraw/zinc/37/47/95/1026374795.db2.gz CNTHUDWMHOERKM-JECHBYEQSA-N 0 3 317.816 3.663 20 10 DHCDHN CCCCN(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000808733629 1026383934 /nfs/dbraw/zinc/38/39/34/1026383934.db2.gz YXUIZZPSDBOWNU-YDHLFZDLSA-N 0 3 308.441 3.790 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(C)cc1[O-] ZINC000279997910 1026571565 /nfs/dbraw/zinc/57/15/65/1026571565.db2.gz FRSMGNXRPXWDOA-RHSMWYFYSA-N 0 3 301.434 3.583 20 10 DHCDHN Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000809703672 1026598795 /nfs/dbraw/zinc/59/87/95/1026598795.db2.gz SKSRGLAADRMOKG-FQEVSTJZSA-N 0 3 311.425 3.646 20 10 DHCDHN COc1cccc(CNCc2cc3cc(F)ccc3o2)c1O ZINC000809739842 1026610772 /nfs/dbraw/zinc/61/07/72/1026610772.db2.gz FKNAAMAQGSXBBQ-UHFFFAOYSA-N 0 3 301.317 3.576 20 10 DHCDHN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000810257216 1026732031 /nfs/dbraw/zinc/73/20/31/1026732031.db2.gz NMAAIOGYIREYSN-GMTAPVOTSA-N 0 3 316.239 3.537 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000811518440 1027020530 /nfs/dbraw/zinc/02/05/30/1027020530.db2.gz KMHUVLYLQLKKHI-WBVHZDCISA-N 0 3 321.848 3.888 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000271752317 1027137154 /nfs/dbraw/zinc/13/71/54/1027137154.db2.gz XYELBBFQPKAYRE-CQSZACIVSA-N 0 3 316.357 3.550 20 10 DHCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000295196772 1027139001 /nfs/dbraw/zinc/13/90/01/1027139001.db2.gz YAZYIVOLWMCXBW-AAEUAGOBSA-N 0 3 305.340 3.790 20 10 DHCDHN CO[C@](C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000812772427 1027398769 /nfs/dbraw/zinc/39/87/69/1027398769.db2.gz DPODVAARKSIIGS-HXUWFJFHSA-N 0 3 311.425 3.964 20 10 DHCDHN Cn1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c(-c2ccccc2)n1 ZINC000296238093 1027582852 /nfs/dbraw/zinc/58/28/52/1027582852.db2.gz ARNJMYBEPJFXKT-QGZVFWFLSA-N 0 3 319.408 3.570 20 10 DHCDHN CCOc1ccc(CN[C@H](CCOC)c2ccc(C)o2)c(O)c1 ZINC000778120404 1027608448 /nfs/dbraw/zinc/60/84/48/1027608448.db2.gz FVKYEFYSPIQWCF-MRXNPFEDSA-N 0 3 319.401 3.560 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](CCOC)c2ccc(C)o2)c([O-])c1 ZINC000778120404 1027608456 /nfs/dbraw/zinc/60/84/56/1027608456.db2.gz FVKYEFYSPIQWCF-MRXNPFEDSA-N 0 3 319.401 3.560 20 10 DHCDHN CCOCc1cc(CNCc2ccc(C)c(F)c2)ccc1OC ZINC000747854632 1027626941 /nfs/dbraw/zinc/62/69/41/1027626941.db2.gz ULELHFSUANHIFB-UHFFFAOYSA-N 0 3 317.404 3.969 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CF)C2)c1[O-] ZINC000711498516 1027628294 /nfs/dbraw/zinc/62/82/94/1027628294.db2.gz PFYUGATXROUEGS-LLVKDONJSA-N 0 3 316.214 3.645 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CF)C2)c1[O-] ZINC000711498516 1027628303 /nfs/dbraw/zinc/62/83/03/1027628303.db2.gz PFYUGATXROUEGS-LLVKDONJSA-N 0 3 316.214 3.645 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000778994172 1027730667 /nfs/dbraw/zinc/73/06/67/1027730667.db2.gz IFANHYOGCGOCPE-UHFFFAOYSA-N 0 3 323.371 3.697 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000778994172 1027730668 /nfs/dbraw/zinc/73/06/68/1027730668.db2.gz IFANHYOGCGOCPE-UHFFFAOYSA-N 0 3 323.371 3.697 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000813877247 1027747950 /nfs/dbraw/zinc/74/79/50/1027747950.db2.gz PKASCWAGIPOBRI-BXUZGUMPSA-N 0 3 318.383 3.649 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000779002752 1027749683 /nfs/dbraw/zinc/74/96/83/1027749683.db2.gz NUQBYWDSJGHHKI-IEBWSBKVSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000779002752 1027749695 /nfs/dbraw/zinc/74/96/95/1027749695.db2.gz NUQBYWDSJGHHKI-IEBWSBKVSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000779002751 1027750318 /nfs/dbraw/zinc/75/03/18/1027750318.db2.gz NUQBYWDSJGHHKI-HKUYNNGSSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000779002751 1027750335 /nfs/dbraw/zinc/75/03/35/1027750335.db2.gz NUQBYWDSJGHHKI-HKUYNNGSSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000779003793 1027757000 /nfs/dbraw/zinc/75/70/00/1027757000.db2.gz POLCBBATLUPHTP-UHFFFAOYSA-N 0 3 303.446 3.954 20 10 DHCDHN COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779004617 1027757162 /nfs/dbraw/zinc/75/71/62/1027757162.db2.gz XTZYRITZUUUTKA-KRWDZBQOSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779004617 1027757173 /nfs/dbraw/zinc/75/71/73/1027757173.db2.gz XTZYRITZUUUTKA-KRWDZBQOSA-N 0 3 315.388 3.747 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccco2)c1[O-] ZINC000779005318 1027765857 /nfs/dbraw/zinc/76/58/57/1027765857.db2.gz IIJZEUWCKSYRGP-NSHDSACASA-N 0 3 324.218 3.949 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527735102 1027852211 /nfs/dbraw/zinc/85/22/11/1027852211.db2.gz BNYJXZAEQDTACK-INIZCTEOSA-N 0 3 311.425 3.966 20 10 DHCDHN CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000779058088 1028108174 /nfs/dbraw/zinc/10/81/74/1028108174.db2.gz JKWQYLPGDYTKIG-UHFFFAOYSA-N 0 3 303.377 3.998 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000779087375 1028221777 /nfs/dbraw/zinc/22/17/77/1028221777.db2.gz LBDVSUILGPMSOF-PZROIBLQSA-N 0 3 301.361 3.574 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368040182 1028289366 /nfs/dbraw/zinc/28/93/66/1028289366.db2.gz HZRVSMUOBIMSNO-HIFRSBDPSA-N 0 3 313.401 3.593 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368040182 1028289383 /nfs/dbraw/zinc/28/93/83/1028289383.db2.gz HZRVSMUOBIMSNO-HIFRSBDPSA-N 0 3 313.401 3.593 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000368621912 1028385034 /nfs/dbraw/zinc/38/50/34/1028385034.db2.gz BLPDIJFWGHZRQG-LLVKDONJSA-N 0 3 307.777 3.637 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000368621912 1028385051 /nfs/dbraw/zinc/38/50/51/1028385051.db2.gz BLPDIJFWGHZRQG-LLVKDONJSA-N 0 3 307.777 3.637 20 10 DHCDHN Oc1ccccc1[C@H](CCc1ccccc1)NCc1cc[nH]n1 ZINC000815576945 1028551071 /nfs/dbraw/zinc/55/10/71/1028551071.db2.gz CCCAPZHVWZXMFE-SFHVURJKSA-N 0 3 307.397 3.579 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c([O-])c1 ZINC000815623484 1028574044 /nfs/dbraw/zinc/57/40/44/1028574044.db2.gz YTHLVSRNLXDYSY-WMZOPIPTSA-N 0 3 313.441 3.653 20 10 DHCDHN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc3ccccc3c1[O-])C2 ZINC000816609333 1028959710 /nfs/dbraw/zinc/95/97/10/1028959710.db2.gz YCTOFFSOCBFJDM-JWTNVVGKSA-N 0 3 310.441 3.602 20 10 DHCDHN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc3ccccc3c1[O-])C2 ZINC000816609333 1028959718 /nfs/dbraw/zinc/95/97/18/1028959718.db2.gz YCTOFFSOCBFJDM-JWTNVVGKSA-N 0 3 310.441 3.602 20 10 DHCDHN COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000373267458 1028990904 /nfs/dbraw/zinc/99/09/04/1028990904.db2.gz KXDDRUCOOJBGQP-CJNGLKHVSA-N 0 3 313.397 3.884 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccccc1[O-] ZINC000155247567 1029209555 /nfs/dbraw/zinc/20/95/55/1029209555.db2.gz CMQVRHRSOMHHCM-PKOBYXMFSA-N 0 3 312.457 3.606 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc(N2CCOCC2)cc1 ZINC000155358866 1029227938 /nfs/dbraw/zinc/22/79/38/1029227938.db2.gz JTFHZOYWKOPTQD-CABCVRRESA-N 0 3 300.402 3.528 20 10 DHCDHN C[C@@H]([NH2+]CC1(N)CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817938715 1029279353 /nfs/dbraw/zinc/27/93/53/1029279353.db2.gz QUCUTANUVDAKHE-LLVKDONJSA-N 0 3 316.367 3.723 20 10 DHCDHN COC[C@H](NCCc1ccc(N)cc1)c1cccc(Cl)c1F ZINC000817957404 1029298464 /nfs/dbraw/zinc/29/84/64/1029298464.db2.gz MBOJNVVFAAIKQT-INIZCTEOSA-N 0 3 322.811 3.581 20 10 DHCDHN CCCNCC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817963926 1029299795 /nfs/dbraw/zinc/29/97/95/1029299795.db2.gz YLUMCELBKBNGHA-LBPRGKRZSA-N 0 3 305.249 3.739 20 10 DHCDHN C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966224 1029307725 /nfs/dbraw/zinc/30/77/25/1029307725.db2.gz JGJZJNIDUNKZFU-BMIGLBTASA-N 0 3 317.260 3.739 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985284 1029322517 /nfs/dbraw/zinc/32/25/17/1029322517.db2.gz IWPRUZDGNWUJJL-WFASDCNBSA-N 0 3 308.853 3.761 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccccc1[O-] ZINC000156252594 1029422577 /nfs/dbraw/zinc/42/25/77/1029422577.db2.gz RAABYQALALEZOA-OAJLEGQYSA-N 0 3 309.475 3.513 20 10 DHCDHN COc1cccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[O-] ZINC000290257191 1029969934 /nfs/dbraw/zinc/96/99/34/1029969934.db2.gz WGFQNZHWTYYOTA-BETUJISGSA-N 0 3 317.351 3.954 20 10 DHCDHN COc1cccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[O-] ZINC000290257191 1029969947 /nfs/dbraw/zinc/96/99/47/1029969947.db2.gz WGFQNZHWTYYOTA-BETUJISGSA-N 0 3 317.351 3.954 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(OC)c1OC ZINC000865758738 1030010291 /nfs/dbraw/zinc/01/02/91/1030010291.db2.gz MSIWHNNWWZYQGG-OAHLLOKOSA-N 0 3 301.386 3.650 20 10 DHCDHN CC(C)[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000866248910 1030180627 /nfs/dbraw/zinc/18/06/27/1030180627.db2.gz UKVRWRXRMHZQTE-HXUWFJFHSA-N 0 3 309.457 3.951 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c([O-])c1 ZINC000866539190 1030358726 /nfs/dbraw/zinc/35/87/26/1030358726.db2.gz INVQZIGXXZYAKA-XIRDDKMYSA-N 0 3 303.446 3.722 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(Br)cn2)c1 ZINC000866568744 1030382925 /nfs/dbraw/zinc/38/29/25/1030382925.db2.gz CBAUDDBWPLRXPW-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN C[C@@H](NCc1cc(N)ccn1)c1ccc(N2CCCCC2)cc1 ZINC000925772590 1030489896 /nfs/dbraw/zinc/48/98/96/1030489896.db2.gz UTKMBAQNTSLELU-OAHLLOKOSA-N 0 3 310.445 3.505 20 10 DHCDHN COc1ccc(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)c([O-])c1 ZINC000824320799 1030524147 /nfs/dbraw/zinc/52/41/47/1030524147.db2.gz KKXCLOBFQLVCFD-LLVKDONJSA-N 0 3 307.340 3.572 20 10 DHCDHN CCCN(Cc1c(C2CCC2)cnn1C)Cc1ccccc1O ZINC000824649557 1030597819 /nfs/dbraw/zinc/59/78/19/1030597819.db2.gz FCZLKKMPRRGTJV-UHFFFAOYSA-N 0 3 313.445 3.805 20 10 DHCDHN CC[C@@H]([NH2+]C[C@](O)(CC)CCC(F)(F)F)c1ccccc1[O-] ZINC000897524563 1030617849 /nfs/dbraw/zinc/61/78/49/1030617849.db2.gz ZMLMNURNSZDGDQ-HIFRSBDPSA-N 0 3 319.367 3.917 20 10 DHCDHN Cc1cccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000825045506 1030705758 /nfs/dbraw/zinc/70/57/58/1030705758.db2.gz FTPOVPZBPJYWLF-ZDUSSCGKSA-N 0 3 307.315 3.895 20 10 DHCDHN CN1CCC[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000825112405 1030728111 /nfs/dbraw/zinc/72/81/11/1030728111.db2.gz SYZHVVXUQOXXCU-GOSISDBHSA-N 0 3 308.425 3.682 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1ccccc1[O-] ZINC000291981531 1030736970 /nfs/dbraw/zinc/73/69/70/1030736970.db2.gz VKMCDWDRSLDPKI-NVGCLXPQSA-N 0 3 303.427 3.807 20 10 DHCDHN Cc1c(F)cc(F)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001143769850 1030952458 /nfs/dbraw/zinc/95/24/58/1030952458.db2.gz UZUYKLNMTILXNP-UHFFFAOYSA-N 0 3 304.384 3.971 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926905895 1030981140 /nfs/dbraw/zinc/98/11/40/1030981140.db2.gz QZVFRUXXOWDAEP-OSAQELSMSA-N 0 3 317.351 3.933 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915716 1030988577 /nfs/dbraw/zinc/98/85/77/1030988577.db2.gz LVEIJDHLYBQQKQ-WDMOLILDSA-N 0 3 303.324 3.543 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c1[O-] ZINC000927101254 1031086528 /nfs/dbraw/zinc/08/65/28/1031086528.db2.gz KYPXXTJEYZRXRC-NSHDSACASA-N 0 3 319.836 3.816 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171135791 1031225540 /nfs/dbraw/zinc/22/55/40/1031225540.db2.gz OYFPHKNXWSOJKL-KRWDZBQOSA-N 0 3 313.828 3.961 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171135791 1031225555 /nfs/dbraw/zinc/22/55/55/1031225555.db2.gz OYFPHKNXWSOJKL-KRWDZBQOSA-N 0 3 313.828 3.961 20 10 DHCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144179460 1031303402 /nfs/dbraw/zinc/30/34/02/1031303402.db2.gz GJSHBPRNNJGKAM-UHFFFAOYSA-N 0 3 320.440 3.795 20 10 DHCDHN Cc1cc(O)c(CN2CCO[C@@H](C(F)F)CC2)cc1C(C)C ZINC000872679343 1031643612 /nfs/dbraw/zinc/64/36/12/1031643612.db2.gz WESCLNABJDWIJD-MRXNPFEDSA-N 0 3 313.388 3.680 20 10 DHCDHN Cc1cc(C)c([C@@H](C)NCc2cn3c(cccc3C)n2)c(O)c1 ZINC000293842767 1031653105 /nfs/dbraw/zinc/65/31/05/1031653105.db2.gz SYCNMFIEMYCTTJ-OAHLLOKOSA-N 0 3 309.413 3.816 20 10 DHCDHN CCCOc1ccc(CNCc2c(C)nn(CC)c2C)cc1C ZINC000873038216 1031695876 /nfs/dbraw/zinc/69/58/76/1031695876.db2.gz MMIBBDZLIJFGPZ-UHFFFAOYSA-N 0 3 315.461 3.907 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)nc1 ZINC000873186694 1031748484 /nfs/dbraw/zinc/74/84/84/1031748484.db2.gz VUJIHBLUEXKKFM-NSHDSACASA-N 0 3 322.330 3.886 20 10 DHCDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000845970889 1031788273 /nfs/dbraw/zinc/78/82/73/1031788273.db2.gz FIABPAQTZHMXTF-NSHDSACASA-N 0 3 321.804 3.919 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C3CCC3)s2)c1 ZINC000845973444 1031788763 /nfs/dbraw/zinc/78/87/63/1031788763.db2.gz ZRVVBGUOONTGNM-LLVKDONJSA-N 0 3 318.442 3.976 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1[O-] ZINC000846033844 1031823270 /nfs/dbraw/zinc/82/32/70/1031823270.db2.gz BNPYLQKFKRZMLF-FZKQIMNGSA-N 0 3 319.832 3.740 20 10 DHCDHN COc1ccc(C[NH2+]C2CC(c3cccc(F)c3)C2)c([O-])c1 ZINC000361268173 1031825024 /nfs/dbraw/zinc/82/50/24/1031825024.db2.gz GNHAMGIMSPIMQI-UHFFFAOYSA-N 0 3 301.361 3.576 20 10 DHCDHN C[C@@H](COCC1CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000846071855 1031846781 /nfs/dbraw/zinc/84/67/81/1031846781.db2.gz BGKPWPYOUPNJMP-HNNXBMFYSA-N 0 3 311.425 3.964 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159405 1031890900 /nfs/dbraw/zinc/89/09/00/1031890900.db2.gz OFIMNMILSCMYLJ-NWDGAFQWSA-N 0 3 316.357 3.721 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159407 1031891880 /nfs/dbraw/zinc/89/18/80/1031891880.db2.gz OFIMNMILSCMYLJ-RYUDHWBXSA-N 0 3 316.357 3.721 20 10 DHCDHN COc1cccc([C@@H](C)NCc2ccc3c(n2)CCCC3)c1O ZINC000846165014 1031893936 /nfs/dbraw/zinc/89/39/36/1031893936.db2.gz KFUPMBKRQVLFFZ-CYBMUJFWSA-N 0 3 312.413 3.525 20 10 DHCDHN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000846181442 1031916838 /nfs/dbraw/zinc/91/68/38/1031916838.db2.gz AXUDHRMVPDJFHY-ZJNRKIDTSA-N 0 3 303.377 3.612 20 10 DHCDHN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000846181436 1031917327 /nfs/dbraw/zinc/91/73/27/1031917327.db2.gz AXUDHRMVPDJFHY-LXIYXOSZSA-N 0 3 303.377 3.612 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2c(C)cccc2OC)c1 ZINC000877533582 1033339491 /nfs/dbraw/zinc/33/94/91/1033339491.db2.gz PUJWPYSQQFDGMS-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1ccc(CNCc2cc(Br)cc(C)c2O)o1 ZINC000877697118 1033412919 /nfs/dbraw/zinc/41/29/19/1033412919.db2.gz BFMAZYWFUJOJHI-UHFFFAOYSA-N 0 3 310.191 3.654 20 10 DHCDHN Cc1ccc(-c2nn(C)cc2C[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC000877755419 1033432124 /nfs/dbraw/zinc/43/21/24/1033432124.db2.gz ANWQEZHYSMODAM-CYBMUJFWSA-N 0 3 311.385 3.545 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1ccccc1[O-] ZINC000877756606 1033434531 /nfs/dbraw/zinc/43/45/31/1033434531.db2.gz XKOXVRNOQYCTLB-UONOGXRCSA-N 0 3 309.413 3.940 20 10 DHCDHN COc1ccc([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)cc1F ZINC000862540172 1033880499 /nfs/dbraw/zinc/88/04/99/1033880499.db2.gz APPRPHWNUIQHLN-CQSZACIVSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cc1F ZINC000862540172 1033880513 /nfs/dbraw/zinc/88/05/13/1033880513.db2.gz APPRPHWNUIQHLN-CQSZACIVSA-N 0 3 301.361 3.529 20 10 DHCDHN CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649056 1034071367 /nfs/dbraw/zinc/07/13/67/1034071367.db2.gz KOHBIYANCFZDLT-ZIAGYGMSSA-N 0 3 312.413 3.632 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccccc1[O-] ZINC000879650956 1034073202 /nfs/dbraw/zinc/07/32/02/1034073202.db2.gz ZUANFJGSHKGELZ-QFYYESIMSA-N 0 3 309.768 3.569 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(F)c1 ZINC000879651660 1034075336 /nfs/dbraw/zinc/07/53/36/1034075336.db2.gz FVGAZQGNVZHWTR-QWHCGFSZSA-N 0 3 316.376 3.518 20 10 DHCDHN CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879650479 1034075481 /nfs/dbraw/zinc/07/54/81/1034075481.db2.gz CDIDJOUAXPLAHL-AWEZNQCLSA-N 0 3 313.397 3.808 20 10 DHCDHN Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652006 1034076011 /nfs/dbraw/zinc/07/60/11/1034076011.db2.gz SUVOHPCWUWBKIG-LSDHHAIUSA-N 0 3 312.413 3.687 20 10 DHCDHN COc1ccc(COCCC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183485977 1034391149 /nfs/dbraw/zinc/39/11/49/1034391149.db2.gz LULHSBMXSCJOSM-HNNXBMFYSA-N 0 3 315.413 3.658 20 10 DHCDHN CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183517005 1034393478 /nfs/dbraw/zinc/39/34/78/1034393478.db2.gz XPWIOXBGPSKREO-AUUYWEPGSA-N 0 3 315.413 3.564 20 10 DHCDHN COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183501883 1034394322 /nfs/dbraw/zinc/39/43/22/1034394322.db2.gz NFKYPOBIUYLBIK-UONOGXRCSA-N 0 3 315.413 3.691 20 10 DHCDHN COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183534371 1034396436 /nfs/dbraw/zinc/39/64/36/1034396436.db2.gz HPWDEDJPSAFJMP-KGLIPLIRSA-N 0 3 301.386 3.519 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccccc1[O-] ZINC000183717061 1034413132 /nfs/dbraw/zinc/41/31/32/1034413132.db2.gz AMXBNTAQUIFGOP-ZDUSSCGKSA-N 0 3 300.402 3.815 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794797376 1034468367 /nfs/dbraw/zinc/46/83/67/1034468367.db2.gz YGXZQETVVBNAKC-INIZCTEOSA-N 0 3 315.413 3.829 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000794800562 1034470069 /nfs/dbraw/zinc/47/00/69/1034470069.db2.gz DBRUBLNEMPWHMS-YJBOKZPZSA-N 0 3 324.424 3.547 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794797960 1034471171 /nfs/dbraw/zinc/47/11/71/1034471171.db2.gz RMYMIAJTEJIMFV-MSOLQXFVSA-N 0 3 304.478 3.862 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)c1ccc(C)cc1[O-] ZINC000794809710 1034510760 /nfs/dbraw/zinc/51/07/60/1034510760.db2.gz IROIVKPDQKXPAB-JLJPHGGASA-N 0 3 303.402 3.847 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794814541 1034519285 /nfs/dbraw/zinc/51/92/85/1034519285.db2.gz LSMCSPIFRFQDJH-ZFWWWQNUSA-N 0 3 322.449 3.655 20 10 DHCDHN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cn1 ZINC000185085386 1034527719 /nfs/dbraw/zinc/52/77/19/1034527719.db2.gz VHMNNJYSBFZBHG-HNNXBMFYSA-N 0 3 313.445 3.793 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1[O-] ZINC000185207679 1034535034 /nfs/dbraw/zinc/53/50/34/1034535034.db2.gz DAXSZYJZHNOXBG-QGZVFWFLSA-N 0 3 311.429 3.628 20 10 DHCDHN CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794817764 1034538617 /nfs/dbraw/zinc/53/86/17/1034538617.db2.gz VQHJYWKKKVCEGT-HKUYNNGSSA-N 0 3 313.441 3.653 20 10 DHCDHN CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(C)cc1[O-] ZINC000794817739 1034539648 /nfs/dbraw/zinc/53/96/48/1034539648.db2.gz VLFIVGYFOMSOTI-KRWDZBQOSA-N 0 3 323.440 3.871 20 10 DHCDHN CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(C)cc1[O-] ZINC000794819249 1034541530 /nfs/dbraw/zinc/54/15/30/1034541530.db2.gz VYGQVXQESWGCCY-KRWDZBQOSA-N 0 3 311.429 3.651 20 10 DHCDHN CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794819681 1034544151 /nfs/dbraw/zinc/54/41/51/1034544151.db2.gz XHKFVMIBIXSLMA-AZUAARDMSA-N 0 3 311.425 3.575 20 10 DHCDHN CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(C)cc1[O-] ZINC000794829989 1034547467 /nfs/dbraw/zinc/54/74/67/1034547467.db2.gz XAGRYTVMQSRASV-GFCCVEGCSA-N 0 3 323.330 3.658 20 10 DHCDHN C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185648936 1034561657 /nfs/dbraw/zinc/56/16/57/1034561657.db2.gz LDBRBLYKIIIPOI-ZDUSSCGKSA-N 0 3 306.425 3.589 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000186159559 1034603873 /nfs/dbraw/zinc/60/38/73/1034603873.db2.gz MHKIUXPEUIEZAD-KXBFYZLASA-N 0 3 311.425 3.865 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000186196590 1034606663 /nfs/dbraw/zinc/60/66/63/1034606663.db2.gz RCSAZIDYVXNQMW-GTNSWQLSSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000777438655 1034742780 /nfs/dbraw/zinc/74/27/80/1034742780.db2.gz ADZZDHPLYMIMQJ-MRXNPFEDSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000777438655 1034742798 /nfs/dbraw/zinc/74/27/98/1034742798.db2.gz ADZZDHPLYMIMQJ-MRXNPFEDSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c(Cl)c1 ZINC001177441434 1035372712 /nfs/dbraw/zinc/37/27/12/1035372712.db2.gz ATUXQOSQDJXROU-ACJLOTCBSA-N 0 3 324.896 3.954 20 10 DHCDHN CC(C)CSCCNCc1cc(F)c(N(C)C)cc1F ZINC001178412404 1035429098 /nfs/dbraw/zinc/42/90/98/1035429098.db2.gz PPTHHTGKEFHHQZ-UHFFFAOYSA-N 0 3 302.434 3.510 20 10 DHCDHN Cc1ccc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC001180149089 1035610592 /nfs/dbraw/zinc/61/05/92/1035610592.db2.gz UOAQEJJUAQKDJT-JXFKEZNVSA-N 0 3 311.425 3.971 20 10 DHCDHN CCCCN(Cc1ccccc1O)[C@H](C(=O)OC)[C@H](C)CC ZINC001193840254 1035735352 /nfs/dbraw/zinc/73/53/52/1035735352.db2.gz YAEAEGWPTSHGPC-PBHICJAKSA-N 0 3 307.434 3.582 20 10 DHCDHN COc1ccc(N2CCN(Cc3ccc(C)c(C)c3)CC2)cc1 ZINC001204354515 1036439948 /nfs/dbraw/zinc/43/99/48/1036439948.db2.gz ZMPXUYWDHHVIMR-UHFFFAOYSA-N 0 3 310.441 3.634 20 10 DHCDHN CCC[N@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715824 1036534480 /nfs/dbraw/zinc/53/44/80/1036534480.db2.gz LVLIZCDEVBUWAA-JQHSSLGASA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715824 1036534494 /nfs/dbraw/zinc/53/44/94/1036534494.db2.gz LVLIZCDEVBUWAA-JQHSSLGASA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000775715823 1036534808 /nfs/dbraw/zinc/53/48/08/1036534808.db2.gz LVLIZCDEVBUWAA-CGTJXYLNSA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000775715823 1036534823 /nfs/dbraw/zinc/53/48/23/1036534823.db2.gz LVLIZCDEVBUWAA-CGTJXYLNSA-N 0 3 303.446 3.726 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCCCCCO)Cc1ccccc1 ZINC001203561050 1036547928 /nfs/dbraw/zinc/54/79/28/1036547928.db2.gz KVIQLKKXJIQXBT-UHFFFAOYSA-N 0 3 313.441 3.947 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001203561050 1036547945 /nfs/dbraw/zinc/54/79/45/1036547945.db2.gz KVIQLKKXJIQXBT-UHFFFAOYSA-N 0 3 313.441 3.947 20 10 DHCDHN CCC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000152475386 1037240949 /nfs/dbraw/zinc/24/09/49/1037240949.db2.gz RJPZIJNXCFXRTJ-INIZCTEOSA-N 0 3 315.413 3.555 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C2(Cc3ccccc3)CC2)c1[O-] ZINC000775990587 1037286462 /nfs/dbraw/zinc/28/64/62/1037286462.db2.gz VQWFKEONOVUBKO-UHFFFAOYSA-N 0 3 317.816 3.919 20 10 DHCDHN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N(C)C)cc1 ZINC000776013177 1037299508 /nfs/dbraw/zinc/29/95/08/1037299508.db2.gz LAINGGNPSGNZGW-WFASDCNBSA-N 0 3 300.368 3.915 20 10 DHCDHN CC(C)Cc1ccc(CNCc2ccc3c(c2)CCCN3C)cn1 ZINC001199830187 1037343021 /nfs/dbraw/zinc/34/30/21/1037343021.db2.gz FERWVTFDPABCSS-UHFFFAOYSA-N 0 3 323.484 3.952 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@H](OCC)c2ccccc2)c([O-])c1 ZINC000775027860 1037431711 /nfs/dbraw/zinc/43/17/11/1037431711.db2.gz LMWQPPPAVVDSGJ-IBGZPJMESA-N 0 3 315.413 3.658 20 10 DHCDHN CCCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000156667071 1038177552 /nfs/dbraw/zinc/17/75/52/1038177552.db2.gz RBHQFUAQZNLJJJ-OAHLLOKOSA-N 0 3 313.445 3.787 20 10 DHCDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775364459 1038274544 /nfs/dbraw/zinc/27/45/44/1038274544.db2.gz QZRZTBNVSWPJHQ-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN CCC(CC)(C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)OC ZINC000760884389 1038963241 /nfs/dbraw/zinc/96/32/41/1038963241.db2.gz QRXHELZFDIOJQH-YPMHNXCESA-N 0 3 323.408 3.649 20 10 DHCDHN CCN(CC[NH2+][C@@H](C)c1ccc(C)cc1[O-])C(=O)OC(C)(C)C ZINC000230660473 1039956233 /nfs/dbraw/zinc/95/62/33/1039956233.db2.gz SNTKSRSEKUDWQU-AWEZNQCLSA-N 0 3 322.449 3.608 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2SC)c1[O-] ZINC000230934723 1040060010 /nfs/dbraw/zinc/06/00/10/1040060010.db2.gz JNSLMMJVXFCSIE-TZMCWYRMSA-N 0 3 315.866 3.818 20 10 DHCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3ccco3)C2)cc1 ZINC000174621044 1040778853 /nfs/dbraw/zinc/77/88/53/1040778853.db2.gz MNVKVZSOAVNGGR-ZDUSSCGKSA-N 0 3 322.355 3.640 20 10 DHCDHN CCN(CC)c1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092659257 185331898 /nfs/dbraw/zinc/33/18/98/185331898.db2.gz HNIZQXGSBHDOLF-UHFFFAOYSA-N 0 3 312.461 3.566 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(F)ccc1[O-] ZINC000094616954 193385196 /nfs/dbraw/zinc/38/51/96/193385196.db2.gz MVVGIKVVELQZRU-RISCZKNCSA-N 0 3 308.422 3.546 20 10 DHCDHN CN(C)c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000020145995 182192288 /nfs/dbraw/zinc/19/22/88/182192288.db2.gz IFUGKMBPWMHLEA-UHFFFAOYSA-N 0 3 319.246 3.805 20 10 DHCDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1Cl ZINC000042879415 183315807 /nfs/dbraw/zinc/31/58/07/183315807.db2.gz AGIFJSMDGQBYIU-JTQLQIEISA-N 0 3 305.761 3.625 20 10 DHCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC000042879390 183316301 /nfs/dbraw/zinc/31/63/01/183316301.db2.gz HZBYASXDJZWBFQ-JTQLQIEISA-N 0 3 305.761 3.625 20 10 DHCDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000042879390 183316302 /nfs/dbraw/zinc/31/63/02/183316302.db2.gz HZBYASXDJZWBFQ-JTQLQIEISA-N 0 3 305.761 3.625 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000272323260 130020094 /nfs/dbraw/zinc/02/00/94/130020094.db2.gz UUMYUJMGPVJOIE-UHFFFAOYSA-N 0 3 307.409 3.845 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1[O-] ZINC000272842030 130068465 /nfs/dbraw/zinc/06/84/65/130068465.db2.gz JVEKPVSEPHHLOL-ABSDTBQOSA-N 0 3 324.468 3.953 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c([O-])c1C ZINC000273364235 130111612 /nfs/dbraw/zinc/11/16/12/130111612.db2.gz BADIDELUJKIMAX-AEFFLSMTSA-N 0 3 313.441 3.826 20 10 DHCDHN Cc1nccn1CCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273399785 130117759 /nfs/dbraw/zinc/11/77/59/130117759.db2.gz MUZWCTBDKWFZOB-CQSZACIVSA-N 0 3 313.445 3.517 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000273503439 130129673 /nfs/dbraw/zinc/12/96/73/130129673.db2.gz QNLIKTHCIUQVJF-OGHNNQOOSA-N 0 3 307.434 3.645 20 10 DHCDHN Cc1ccc([C@H](C)N[C@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496126 130129796 /nfs/dbraw/zinc/12/97/96/130129796.db2.gz PCWKBLWRJSAQSN-SUMWQHHRSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000273562266 130136871 /nfs/dbraw/zinc/13/68/71/130136871.db2.gz IKEOZXUIHULBFE-KBPBESRZSA-N 0 3 324.424 3.631 20 10 DHCDHN COc1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)c(OC)c1 ZINC000283925313 131034337 /nfs/dbraw/zinc/03/43/37/131034337.db2.gz DVKOEFGTSBWZCY-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000367467731 131114295 /nfs/dbraw/zinc/11/42/95/131114295.db2.gz UXXULSCLTQLXEH-UHFFFAOYSA-N 0 3 312.413 3.566 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000285109766 131138352 /nfs/dbraw/zinc/13/83/52/131138352.db2.gz KRVTYBASXCJTCO-AWEZNQCLSA-N 0 3 313.397 3.631 20 10 DHCDHN COc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])c(C)c1OC ZINC000288565043 131330613 /nfs/dbraw/zinc/33/06/13/131330613.db2.gz ZDWUYWNREVAOOU-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1OCCc2sccc21 ZINC000297346472 132011217 /nfs/dbraw/zinc/01/12/17/132011217.db2.gz OXESGWDSUSCXPA-FVMIAERFSA-N 0 3 315.438 3.733 20 10 DHCDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000119637979 132134835 /nfs/dbraw/zinc/13/48/35/132134835.db2.gz ZPZAFFGSRQISAR-OLZOCXBDSA-N 0 3 301.386 3.821 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c([O-])c1 ZINC000185262188 333206369 /nfs/dbraw/zinc/20/63/69/333206369.db2.gz YDILKCLEWQCHKJ-CQSZACIVSA-N 0 3 312.413 3.735 20 10 DHCDHN COCc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1F ZINC000185495800 333209273 /nfs/dbraw/zinc/20/92/73/333209273.db2.gz BLKGBMNQXBEBQY-ZDUSSCGKSA-N 0 3 303.377 3.837 20 10 DHCDHN CCOc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000296031607 335139514 /nfs/dbraw/zinc/13/95/14/335139514.db2.gz NJHPIXIVUONFMW-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN c1c[nH]c(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000271206046 334020038 /nfs/dbraw/zinc/02/00/38/334020038.db2.gz SCAJRGHTNXOWQZ-UHFFFAOYSA-N 0 3 324.472 3.780 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c([O-])c1C ZINC000273464257 334047642 /nfs/dbraw/zinc/04/76/42/334047642.db2.gz DJRUTDAHPHBECB-SUMWQHHRSA-N 0 3 305.443 3.629 20 10 DHCDHN COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000192899849 336282243 /nfs/dbraw/zinc/28/22/43/336282243.db2.gz KIVUEZBYCFYNJP-AWEZNQCLSA-N 0 3 315.413 3.611 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000368795965 336852956 /nfs/dbraw/zinc/85/29/56/336852956.db2.gz HYLZKQHSVNZTTA-SJLPKXTDSA-N 0 3 319.445 3.503 20 10 DHCDHN CCOC(=O)C1(C)CC[NH+]([C@@H](CC)c2ccccc2[O-])CC1 ZINC000368808911 336853083 /nfs/dbraw/zinc/85/30/83/336853083.db2.gz DDXGPMFIYQLYSJ-HNNXBMFYSA-N 0 3 305.418 3.509 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000374710126 336995580 /nfs/dbraw/zinc/99/55/80/336995580.db2.gz BUYCRSQPANTYCH-IRWQIABSSA-N 0 3 314.404 3.627 20 10 DHCDHN C[C@@H]1[N@H+](Cc2c([O-])ccc3ccccc32)CCC12CCOCC2 ZINC000375240869 337006528 /nfs/dbraw/zinc/00/65/28/337006528.db2.gz YLBAYRJYZMSTKQ-HNNXBMFYSA-N 0 3 311.425 3.936 20 10 DHCDHN C[C@@H]1[N@@H+](Cc2c([O-])ccc3ccccc32)CCC12CCOCC2 ZINC000375240869 337006529 /nfs/dbraw/zinc/00/65/29/337006529.db2.gz YLBAYRJYZMSTKQ-HNNXBMFYSA-N 0 3 311.425 3.936 20 10 DHCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1[O-] ZINC000375531175 337012993 /nfs/dbraw/zinc/01/29/93/337012993.db2.gz ZPMLVTZMZIMWRM-ZHALLVOQSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1[O-] ZINC000375531175 337012994 /nfs/dbraw/zinc/01/29/94/337012994.db2.gz ZPMLVTZMZIMWRM-ZHALLVOQSA-N 0 3 303.446 3.606 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000377624216 337056700 /nfs/dbraw/zinc/05/67/00/337056700.db2.gz KLRJKGFPUHMXEH-QWQRMKEZSA-N 0 3 312.413 3.940 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000377624216 337056701 /nfs/dbraw/zinc/05/67/01/337056701.db2.gz KLRJKGFPUHMXEH-QWQRMKEZSA-N 0 3 312.413 3.940 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000377694280 337058773 /nfs/dbraw/zinc/05/87/73/337058773.db2.gz IFDVXLDHLNSBMU-MFWIUYSUSA-N 0 3 319.445 3.502 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000377694280 337058774 /nfs/dbraw/zinc/05/87/74/337058774.db2.gz IFDVXLDHLNSBMU-MFWIUYSUSA-N 0 3 319.445 3.502 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(Sc2ccccn2)CC1 ZINC000378376164 337071130 /nfs/dbraw/zinc/07/11/30/337071130.db2.gz KATXLTWSOSZQSX-UHFFFAOYSA-N 0 3 300.427 3.544 20 10 DHCDHN CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179582112 337170227 /nfs/dbraw/zinc/17/02/27/337170227.db2.gz UDRAOQMHYITYAP-AWEZNQCLSA-N 0 3 302.443 3.921 20 10 DHCDHN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179582112 337170228 /nfs/dbraw/zinc/17/02/28/337170228.db2.gz UDRAOQMHYITYAP-AWEZNQCLSA-N 0 3 302.443 3.921 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000179560595 337170230 /nfs/dbraw/zinc/17/02/30/337170230.db2.gz KHVOBUUNAKVLQA-UHFFFAOYSA-N 0 3 307.397 3.648 20 10 DHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1nc(-c2ccccc2)no1 ZINC000183631787 337193986 /nfs/dbraw/zinc/19/39/86/337193986.db2.gz RSJKWIRHRJGSLV-KBPBESRZSA-N 0 3 323.396 3.897 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)ccc1[O-] ZINC000185628421 337249767 /nfs/dbraw/zinc/24/97/67/337249767.db2.gz COWDWXFAVRMJOW-MAZHCROVSA-N 0 3 303.381 3.562 20 10 DHCDHN Cc1cccc2c1OCC[C@@H]2NCc1ccc2c(c1)CCN2C ZINC000188948119 337276714 /nfs/dbraw/zinc/27/67/14/337276714.db2.gz NRWXDMDFABLCFN-SFHVURJKSA-N 0 3 308.425 3.601 20 10 DHCDHN CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])c2ccccc21 ZINC000359999631 337441596 /nfs/dbraw/zinc/44/15/96/337441596.db2.gz OTGWUXARXLYHTQ-GUYCJALGSA-N 0 3 310.397 3.541 20 10 DHCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(C(F)(F)F)c1 ZINC000527651646 337756087 /nfs/dbraw/zinc/75/60/87/337756087.db2.gz HCIAUYQGTOBUST-UHFFFAOYSA-N 0 3 311.303 3.709 20 10 DHCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(C)ccc2[O-])OC)c1 ZINC000527923393 337775234 /nfs/dbraw/zinc/77/52/34/337775234.db2.gz CYKIBGHXPVKWTO-AUUYWEPGSA-N 0 3 315.413 3.748 20 10 DHCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCc3cc(Cl)ccc31)OCO2 ZINC000238140588 341226848 /nfs/dbraw/zinc/22/68/48/341226848.db2.gz USWXWSWPHMCJSD-AWEZNQCLSA-N 0 3 317.772 3.551 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000176981195 518178223 /nfs/dbraw/zinc/17/82/23/518178223.db2.gz AFUDNAHMVWUAAY-CZUORRHYSA-N 0 3 318.392 3.612 20 10 DHCDHN COc1cc([O-])c(C[NH2+]C2(c3ccccc3)CCC2)cc1OC ZINC000160039730 522779896 /nfs/dbraw/zinc/77/98/96/522779896.db2.gz QFZATGHMOCIHPC-UHFFFAOYSA-N 0 3 313.397 3.578 20 10 DHCDHN COc1cc(O)c(CNC2(c3ccccc3)CCC2)cc1OC ZINC000160039730 522779904 /nfs/dbraw/zinc/77/99/04/522779904.db2.gz QFZATGHMOCIHPC-UHFFFAOYSA-N 0 3 313.397 3.578 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000127081566 522850076 /nfs/dbraw/zinc/85/00/76/522850076.db2.gz HLUOVHOPCGSMTM-NVXWUHKLSA-N 0 3 323.795 3.959 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])c1ccc(OC)cc1 ZINC000237017329 522882625 /nfs/dbraw/zinc/88/26/25/522882625.db2.gz MXFMVLJWFTUMTK-MRXNPFEDSA-N 0 3 301.386 3.650 20 10 DHCDHN COCCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CCCC1 ZINC000185747672 523061995 /nfs/dbraw/zinc/06/19/95/523061995.db2.gz VDHCDGGISCYAHU-AWEZNQCLSA-N 0 3 307.434 3.648 20 10 DHCDHN COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000237255727 523983438 /nfs/dbraw/zinc/98/34/38/523983438.db2.gz NVYZZQZWNXLFIL-AWEZNQCLSA-N 0 3 315.413 3.520 20 10 DHCDHN COCCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185012177 524045266 /nfs/dbraw/zinc/04/52/66/524045266.db2.gz IVZWMEARKPESOJ-OAHLLOKOSA-N 0 3 315.413 3.577 20 10 DHCDHN COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2[O-])c1 ZINC000124240107 524119392 /nfs/dbraw/zinc/11/93/92/524119392.db2.gz CZVZOAAQHRPAOV-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2[O-])c1 ZINC000124240107 524119397 /nfs/dbraw/zinc/11/93/97/524119397.db2.gz CZVZOAAQHRPAOV-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN Cc1cccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180677800 524379494 /nfs/dbraw/zinc/37/94/94/524379494.db2.gz BHGISZDIULMCBF-FPTDNZKUSA-N 0 3 317.454 3.631 20 10 DHCDHN Cc1cccc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180677823 524379777 /nfs/dbraw/zinc/37/97/77/524379777.db2.gz BHGISZDIULMCBF-PEBXRYMYSA-N 0 3 317.454 3.631 20 10 DHCDHN COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000266968513 525170533 /nfs/dbraw/zinc/17/05/33/525170533.db2.gz NCLFGYUDONSTSL-KBPBESRZSA-N 0 3 315.413 3.691 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000157746605 525574234 /nfs/dbraw/zinc/57/42/34/525574234.db2.gz ZPUQMEWBMFHFMB-ZLXGRDSLSA-N 0 3 315.457 3.879 20 10 DHCDHN C[C@H](N[C@@H]1c2cccc(F)c2O[C@H]1C)c1cc(F)ccc1O ZINC000368484741 525591506 /nfs/dbraw/zinc/59/15/06/525591506.db2.gz ZEQKYLJKMPDMHV-PUTJDCORSA-N 0 3 305.324 3.843 20 10 DHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163823137 525660490 /nfs/dbraw/zinc/66/04/90/525660490.db2.gz JGNUWIKAZLLLIN-HZPDHXFCSA-N 0 3 312.461 3.822 20 10 DHCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1[O-] ZINC000367718815 526031696 /nfs/dbraw/zinc/03/16/96/526031696.db2.gz GDQRSRGIYRWIJH-WMLDXEAASA-N 0 3 312.413 3.612 20 10 DHCDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1[O-] ZINC000367718805 526038277 /nfs/dbraw/zinc/03/82/77/526038277.db2.gz GDQRSRGIYRWIJH-PBHICJAKSA-N 0 3 312.413 3.612 20 10 DHCDHN Cc1nc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c2n1CCCC2 ZINC000364910316 526892689 /nfs/dbraw/zinc/89/26/89/526892689.db2.gz YZQDNRHZSUEBOU-LLVKDONJSA-N 0 3 319.836 3.738 20 10 DHCDHN Cc1nc(CN[C@H](C)c2cc(Cl)ccc2O)c2n1CCCC2 ZINC000364910316 526892694 /nfs/dbraw/zinc/89/26/94/526892694.db2.gz YZQDNRHZSUEBOU-LLVKDONJSA-N 0 3 319.836 3.738 20 10 DHCDHN CCOc1cccc(CNCc2c(F)cccc2SC)c1O ZINC000285360734 535459595 /nfs/dbraw/zinc/45/95/95/535459595.db2.gz AJSBODUYJJXLKL-UHFFFAOYSA-N 0 3 321.417 3.942 20 10 DHCDHN CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000274737722 535906547 /nfs/dbraw/zinc/90/65/47/535906547.db2.gz DOAWMPWWTZXFHN-INIZCTEOSA-N 0 3 300.358 3.584 20 10 DHCDHN CN1CCCc2cc(C[NH2+][C@H]3CCc4cccc([O-])c43)ccc21 ZINC000297725592 536397081 /nfs/dbraw/zinc/39/70/81/536397081.db2.gz NJGFNZHLJDWVSE-KRWDZBQOSA-N 0 3 308.425 3.552 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C)[C@H](F)C3)c2c1 ZINC000777965700 1032058199 /nfs/dbraw/zinc/05/81/99/1032058199.db2.gz FGCASYDLSNBMMI-YVEFUNNKSA-N 0 3 303.377 3.734 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C)[C@H](F)C3)c2c1 ZINC000777965700 1032058214 /nfs/dbraw/zinc/05/82/14/1032058214.db2.gz FGCASYDLSNBMMI-YVEFUNNKSA-N 0 3 303.377 3.734 20 10 DHCDHN COc1cc(C)cc(CN[C@H](C)c2cccc(F)c2F)c1O ZINC000894360072 1013104691 /nfs/dbraw/zinc/10/46/91/1013104691.db2.gz UZICHWBKJYCLCV-LLVKDONJSA-N 0 3 307.340 3.838 20 10 DHCDHN COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c([O-])c1 ZINC000093008480 1013458863 /nfs/dbraw/zinc/45/88/63/1013458863.db2.gz DJQCGSZAMMPUKL-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c([O-])c1 ZINC000093008480 1013458867 /nfs/dbraw/zinc/45/88/67/1013458867.db2.gz DJQCGSZAMMPUKL-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783504620 1014693242 /nfs/dbraw/zinc/69/32/42/1014693242.db2.gz HRXSXRXBTOZDQN-KGLIPLIRSA-N 0 3 313.397 3.793 20 10 DHCDHN CN(C)c1ccc(/C=C\CN2CC[C@H](c3nccs3)C2)cc1 ZINC000895580525 1015215582 /nfs/dbraw/zinc/21/55/82/1015215582.db2.gz BLOKHZOLUPQEBV-QGZUEGPWSA-N 0 3 313.470 3.712 20 10 DHCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896225271 1015510308 /nfs/dbraw/zinc/51/03/08/1015510308.db2.gz WYKFYYIPANBCPZ-ZDUSSCGKSA-N 0 3 303.299 3.567 20 10 DHCDHN Cc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896225271 1015510323 /nfs/dbraw/zinc/51/03/23/1015510323.db2.gz WYKFYYIPANBCPZ-ZDUSSCGKSA-N 0 3 303.299 3.567 20 10 DHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC000896527858 1015613257 /nfs/dbraw/zinc/61/32/57/1015613257.db2.gz IILPRKZYXXPYDQ-AWEZNQCLSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC000896527858 1015613265 /nfs/dbraw/zinc/61/32/65/1015613265.db2.gz IILPRKZYXXPYDQ-AWEZNQCLSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c([O-])c1 ZINC000184835074 1016388819 /nfs/dbraw/zinc/38/88/19/1016388819.db2.gz IWAHDZNWYUXVQV-KSSFIOAISA-N 0 3 316.420 3.793 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(F)ccc1[O-] ZINC000185032923 1016504349 /nfs/dbraw/zinc/50/43/49/1016504349.db2.gz PNBRROJGWZDTKW-CYBMUJFWSA-N 0 3 311.360 3.568 20 10 DHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000848551155 1016875856 /nfs/dbraw/zinc/87/58/56/1016875856.db2.gz FGMWPUQGBLTPGC-RKDXNWHRSA-N 0 3 320.202 3.562 20 10 DHCDHN COc1cc(Cl)cc(C[NH+]2CCC(CSC)CC2)c1[O-] ZINC000896940837 1016945781 /nfs/dbraw/zinc/94/57/81/1016945781.db2.gz KJKDBYKNKHRZTE-UHFFFAOYSA-N 0 3 315.866 3.629 20 10 DHCDHN COc1cc(Cl)cc(CN2CCC(CSC)CC2)c1O ZINC000896940837 1016945792 /nfs/dbraw/zinc/94/57/92/1016945792.db2.gz KJKDBYKNKHRZTE-UHFFFAOYSA-N 0 3 315.866 3.629 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cc(F)ccc1[O-] ZINC000185576516 1017018934 /nfs/dbraw/zinc/01/89/34/1017018934.db2.gz KRPUMXYMGIKVOP-NWDGAFQWSA-N 0 3 307.340 3.789 20 10 DHCDHN CCSc1cc(CNCc2ccc(N(C)C)cc2)ccn1 ZINC000189589370 1017030756 /nfs/dbraw/zinc/03/07/56/1017030756.db2.gz LAUJOHPSWMRHDN-UHFFFAOYSA-N 0 3 301.459 3.549 20 10 DHCDHN Cc1cc([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n[nH]1 ZINC000282815863 1032496512 /nfs/dbraw/zinc/49/65/12/1032496512.db2.gz AGTABWASJAXBCM-INIZCTEOSA-N 0 3 321.424 3.957 20 10 DHCDHN Cc1cc([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n[nH]1 ZINC000282815863 1032496517 /nfs/dbraw/zinc/49/65/17/1032496517.db2.gz AGTABWASJAXBCM-INIZCTEOSA-N 0 3 321.424 3.957 20 10 DHCDHN CCc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160185792 1011954188 /nfs/dbraw/zinc/95/41/88/1011954188.db2.gz MTTSVJHTFHKSMQ-QGZVFWFLSA-N 0 3 315.413 3.729 20 10 DHCDHN Cc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)o1 ZINC000160193019 1011986775 /nfs/dbraw/zinc/98/67/75/1011986775.db2.gz OMRMVLLRHFXBOJ-SFHVURJKSA-N 0 3 315.413 3.783 20 10 DHCDHN Cc1ccsc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000160194184 1011992003 /nfs/dbraw/zinc/99/20/03/1011992003.db2.gz BDCKCJSLFNKDOH-INIZCTEOSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1ccsc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000160194184 1011992013 /nfs/dbraw/zinc/99/20/13/1011992013.db2.gz BDCKCJSLFNKDOH-INIZCTEOSA-N 0 3 317.454 3.943 20 10 DHCDHN C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(O)c1[O-] ZINC001172851113 1033420955 /nfs/dbraw/zinc/42/09/55/1033420955.db2.gz FJEDHGYPSKJARC-JTQLQIEISA-N 0 3 309.768 3.611 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc2c(cc1[O-])CCCC2 ZINC000185773138 1017161670 /nfs/dbraw/zinc/16/16/70/1017161670.db2.gz ZQYUZGLAOSGQLF-QRXJHHFZSA-N 0 3 315.457 3.879 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccccc1[O-] ZINC000716287111 1032692984 /nfs/dbraw/zinc/69/29/84/1032692984.db2.gz CTVDQSJOAMZWDR-PKOBYXMFSA-N 0 3 310.441 3.707 20 10 DHCDHN Cc1csc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975158 1017725349 /nfs/dbraw/zinc/72/53/49/1017725349.db2.gz DFMLUUUBZUNDGM-CYBMUJFWSA-N 0 3 303.475 3.547 20 10 DHCDHN COc1ccc(CN(C)Cc2cc(C)cc(C)c2O)cc1F ZINC000120510598 1017756465 /nfs/dbraw/zinc/75/64/65/1017756465.db2.gz GRJURZNOZKVGLM-UHFFFAOYSA-N 0 3 303.377 3.789 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915379 1032728321 /nfs/dbraw/zinc/72/83/21/1032728321.db2.gz KQGOQSFDCSWOTQ-WHOFXGATSA-N 0 3 317.351 3.933 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000701920903 1018123432 /nfs/dbraw/zinc/12/34/32/1018123432.db2.gz TYMCBAQYNSUCPO-HIFRSBDPSA-N 0 3 322.449 3.688 20 10 DHCDHN COc1cc(Cl)cc(CN2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278419322 1018676929 /nfs/dbraw/zinc/67/69/29/1018676929.db2.gz RFUQKYYKCKIENQ-SECBINFHSA-N 0 3 323.742 3.829 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1[O-] ZINC000278419322 1018676936 /nfs/dbraw/zinc/67/69/36/1018676936.db2.gz RFUQKYYKCKIENQ-SECBINFHSA-N 0 3 323.742 3.829 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1[O-] ZINC000278419322 1018676942 /nfs/dbraw/zinc/67/69/42/1018676942.db2.gz RFUQKYYKCKIENQ-SECBINFHSA-N 0 3 323.742 3.829 20 10 DHCDHN Cn1cc([C@H](NCc2ccc3c(c2)CCCO3)C(C)(C)C)cn1 ZINC000921816512 1018900362 /nfs/dbraw/zinc/90/03/62/1018900362.db2.gz BEMKIPPMIJXARI-SFHVURJKSA-N 0 3 313.445 3.622 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2c(C)nn(CC)c2C)cc1 ZINC000765661266 1019032929 /nfs/dbraw/zinc/03/29/29/1019032929.db2.gz XXURUMGUHBTTKD-CQSZACIVSA-N 0 3 314.477 3.827 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000858320365 1032845216 /nfs/dbraw/zinc/84/52/16/1032845216.db2.gz BAPUSEZKTJIMKQ-HNNXBMFYSA-N 0 3 303.789 3.831 20 10 DHCDHN CCC(CC)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765992187 1020134488 /nfs/dbraw/zinc/13/44/88/1020134488.db2.gz HAPHUTCSINCMPS-MRXNPFEDSA-N 0 3 310.869 3.788 20 10 DHCDHN COc1ccc(CNC(C)(C)/C=C/Cl)cc1Cn1cccn1 ZINC000922645607 1020187609 /nfs/dbraw/zinc/18/76/09/1020187609.db2.gz SNWYNIRZWLJVTE-BQYQJAHWSA-N 0 3 319.836 3.561 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)c([O-])c1 ZINC000922672054 1020202384 /nfs/dbraw/zinc/20/23/84/1020202384.db2.gz KEYYCRXKHRYQCZ-AWEZNQCLSA-N 0 3 315.413 3.959 20 10 DHCDHN CC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000732184676 1020208710 /nfs/dbraw/zinc/20/87/10/1020208710.db2.gz CVYLSJNXLGARSK-HOCLYGCPSA-N 0 3 305.462 3.997 20 10 DHCDHN Cc1ccc(O)c(CNCc2ccc(Br)cc2F)c1 ZINC000733328699 1020373360 /nfs/dbraw/zinc/37/33/60/1020373360.db2.gz YOIVQIXOKPFTSY-UHFFFAOYSA-N 0 3 324.193 3.892 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000179581448 1020410707 /nfs/dbraw/zinc/41/07/07/1020410707.db2.gz SMRSAUWKJLKGBE-IBGZPJMESA-N 0 3 311.425 3.654 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000179581448 1020410713 /nfs/dbraw/zinc/41/07/13/1020410713.db2.gz SMRSAUWKJLKGBE-IBGZPJMESA-N 0 3 311.425 3.654 20 10 DHCDHN Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000766043576 1020564407 /nfs/dbraw/zinc/56/44/07/1020564407.db2.gz MURBXFJYSAGMAF-SCLBCKFNSA-N 0 3 310.445 3.579 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccccc1[O-] ZINC000179887549 1020574786 /nfs/dbraw/zinc/57/47/86/1020574786.db2.gz DEUIVSZLLFOGME-XOBRGWDASA-N 0 3 307.393 3.930 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000858490704 1032916530 /nfs/dbraw/zinc/91/65/30/1032916530.db2.gz MHSJNFYLBHJNGX-CJNGLKHVSA-N 0 3 310.869 3.818 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000858490189 1032918901 /nfs/dbraw/zinc/91/89/01/1032918901.db2.gz CTVWVHZYGQTULU-CJNGLKHVSA-N 0 3 310.869 3.818 20 10 DHCDHN CCOc1ccc(O)c(CNCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000725847293 1020720117 /nfs/dbraw/zinc/72/01/17/1020720117.db2.gz YVSXYNLASYRIPQ-WBMJQRKESA-N 0 3 301.386 3.797 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@H](C)[C@@H]3C)c2c1 ZINC000735666156 1020760433 /nfs/dbraw/zinc/76/04/33/1020760433.db2.gz CKTTUUVPZARGPG-QWHCGFSZSA-N 0 3 317.454 3.880 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@H](C)[C@@H]3C)c2c1 ZINC000735666156 1020760438 /nfs/dbraw/zinc/76/04/38/1020760438.db2.gz CKTTUUVPZARGPG-QWHCGFSZSA-N 0 3 317.454 3.880 20 10 DHCDHN Cc1cc(CN[C@@H]2CCCn3nccc32)c(C)n1-c1ccccc1 ZINC000858543485 1032940913 /nfs/dbraw/zinc/94/09/13/1032940913.db2.gz SXODQILFDWXXIF-LJQANCHMSA-N 0 3 320.440 3.915 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000176983597 1021190918 /nfs/dbraw/zinc/19/09/18/1021190918.db2.gz MYCAJWVNMCDFSX-VXGBXAGGSA-N 0 3 319.376 3.960 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCO1 ZINC000776265659 1021205576 /nfs/dbraw/zinc/20/55/76/1021205576.db2.gz OHVDPMWCCJFFBZ-PKOBYXMFSA-N 0 3 311.425 3.835 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCO1 ZINC000776265656 1021207247 /nfs/dbraw/zinc/20/72/47/1021207247.db2.gz OHVDPMWCCJFFBZ-HKUYNNGSSA-N 0 3 311.425 3.835 20 10 DHCDHN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000743500373 1021305200 /nfs/dbraw/zinc/30/52/00/1021305200.db2.gz ZCRAOBZXPKZSKJ-BEFAXECRSA-N 0 3 313.441 3.946 20 10 DHCDHN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000743500376 1021307138 /nfs/dbraw/zinc/30/71/38/1021307138.db2.gz ZCRAOBZXPKZSKJ-KXBFYZLASA-N 0 3 313.441 3.946 20 10 DHCDHN CN(C)c1ccc(/C=C\CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850374976 1021496461 /nfs/dbraw/zinc/49/64/61/1021496461.db2.gz OWQGLNBBXMELNF-SBUVDCAVSA-N 0 3 308.425 3.534 20 10 DHCDHN CCc1ccc([C@H](C)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489994 1021561456 /nfs/dbraw/zinc/56/14/56/1021561456.db2.gz ZLGRDPYLSLAQPD-LSDHHAIUSA-N 0 3 314.429 3.780 20 10 DHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(C)o3)C2)cc1 ZINC000850488931 1021561887 /nfs/dbraw/zinc/56/18/87/1021561887.db2.gz PPZYMHBTCMMNTQ-CABCVRRESA-N 0 3 300.402 3.526 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850530067 1021583359 /nfs/dbraw/zinc/58/33/59/1021583359.db2.gz WUMQNMIZDBDWHE-GKCIPKSASA-N 0 3 310.441 3.972 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c([O-])c1 ZINC000850532824 1021588119 /nfs/dbraw/zinc/58/81/19/1021588119.db2.gz XNJJHWDBHPLXJB-SZMVWBNQSA-N 0 3 311.425 3.924 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1nsc3ccccc31)CC2 ZINC000850561340 1021605685 /nfs/dbraw/zinc/60/56/85/1021605685.db2.gz NWLBCGKYIFEDHL-OAHLLOKOSA-N 0 3 310.422 3.822 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCN1Cc1ccccc1 ZINC000379646476 1021657352 /nfs/dbraw/zinc/65/73/52/1021657352.db2.gz JEYVYTQYAOOPBX-QFBILLFUSA-N 0 3 310.441 3.535 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccccc1[O-] ZINC000154821082 1021658960 /nfs/dbraw/zinc/65/89/60/1021658960.db2.gz UKVXKGRSDOKNIC-MJGOQNOKSA-N 0 3 312.457 3.606 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000154823782 1021659685 /nfs/dbraw/zinc/65/96/85/1021659685.db2.gz XLFVDOIUKNAAPS-MSOLQXFVSA-N 0 3 316.420 3.875 20 10 DHCDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587919 1022196387 /nfs/dbraw/zinc/19/63/87/1022196387.db2.gz IDXMZQYBETVGKC-FHSNZYRGSA-N 0 3 303.377 3.694 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000183632396 1022217216 /nfs/dbraw/zinc/21/72/16/1022217216.db2.gz CGRMPTNELBODLR-GJZGRUSLSA-N 0 3 314.404 3.851 20 10 DHCDHN C[C@H]1CN(Cc2c(O)ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631257 1022301041 /nfs/dbraw/zinc/30/10/41/1022301041.db2.gz UQQOLVZOYMFBEF-KPZWWZAWSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631257 1022301053 /nfs/dbraw/zinc/30/10/53/1022301053.db2.gz UQQOLVZOYMFBEF-KPZWWZAWSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631257 1022301069 /nfs/dbraw/zinc/30/10/69/1022301069.db2.gz UQQOLVZOYMFBEF-KPZWWZAWSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N(C)c1ccccc1 ZINC000756414011 1022312047 /nfs/dbraw/zinc/31/20/47/1022312047.db2.gz HKRUDACVTRYBLH-KGLIPLIRSA-N 0 3 302.393 3.707 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccccc1[O-] ZINC000183428029 1022345872 /nfs/dbraw/zinc/34/58/72/1022345872.db2.gz VIAGDPCWJRGFGE-OAHLLOKOSA-N 0 3 311.429 3.628 20 10 DHCDHN Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756461546 1022399674 /nfs/dbraw/zinc/39/96/74/1022399674.db2.gz UPIGDTBFCDCQPR-XGWLTEMNSA-N 0 3 315.388 3.711 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000854225283 1022434147 /nfs/dbraw/zinc/43/41/47/1022434147.db2.gz BRBMAVUBYNPBNI-GTTSAUCSSA-N 0 3 312.388 3.939 20 10 DHCDHN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000179554042 1022470497 /nfs/dbraw/zinc/47/04/97/1022470497.db2.gz YTTWYBZWEAYYKD-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000179554042 1022470506 /nfs/dbraw/zinc/47/05/06/1022470506.db2.gz YTTWYBZWEAYYKD-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc(O)c(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000179672249 1022499804 /nfs/dbraw/zinc/49/98/04/1022499804.db2.gz OQETYPHCCZGEAL-QGZVFWFLSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccccc2OC)c1 ZINC000273303808 1022534743 /nfs/dbraw/zinc/53/47/43/1022534743.db2.gz CEMSWKBNCDNJKD-STQMWFEESA-N 0 3 301.386 3.821 20 10 DHCDHN COc1cc(O)c(CN2CCc3ccccc3[C@@H]2C)cc1OC ZINC000180076135 1022624942 /nfs/dbraw/zinc/62/49/42/1022624942.db2.gz RLQYEIUWUMYMDQ-ZDUSSCGKSA-N 0 3 313.397 3.529 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000768137080 1022904652 /nfs/dbraw/zinc/90/46/52/1022904652.db2.gz FZGNKIKGWKMAAL-QGZVFWFLSA-N 0 3 312.413 3.913 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000768137080 1022904667 /nfs/dbraw/zinc/90/46/67/1022904667.db2.gz FZGNKIKGWKMAAL-QGZVFWFLSA-N 0 3 312.413 3.913 20 10 DHCDHN CCOc1ccc(CN(C)Cc2ccc(F)c(F)c2)c(O)c1 ZINC000768261662 1022935310 /nfs/dbraw/zinc/93/53/10/1022935310.db2.gz FUPVPIOIXYXZHM-UHFFFAOYSA-N 0 3 307.340 3.701 20 10 DHCDHN C[N@H+](CCc1cccc(Br)c1)Cc1ccccc1[O-] ZINC000768505241 1022976647 /nfs/dbraw/zinc/97/66/47/1022976647.db2.gz NQZKHEZXYLDMPH-UHFFFAOYSA-N 0 3 320.230 3.829 20 10 DHCDHN C[N@@H+](CCc1cccc(Br)c1)Cc1ccccc1[O-] ZINC000768505241 1022976659 /nfs/dbraw/zinc/97/66/59/1022976659.db2.gz NQZKHEZXYLDMPH-UHFFFAOYSA-N 0 3 320.230 3.829 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000768989801 1023066392 /nfs/dbraw/zinc/06/63/92/1023066392.db2.gz BMEOSMCVRZZGCR-INIZCTEOSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000768989801 1023066399 /nfs/dbraw/zinc/06/63/99/1023066399.db2.gz BMEOSMCVRZZGCR-INIZCTEOSA-N 0 3 315.388 3.747 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccccc1[O-] ZINC000364365932 1023087062 /nfs/dbraw/zinc/08/70/62/1023087062.db2.gz UBFLXWNUMFENHF-IRXDYDNUSA-N 0 3 313.397 3.965 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000769405754 1023143613 /nfs/dbraw/zinc/14/36/13/1023143613.db2.gz XRCFAQCWAARXFX-UHFFFAOYSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000769405754 1023143616 /nfs/dbraw/zinc/14/36/16/1023143616.db2.gz XRCFAQCWAARXFX-UHFFFAOYSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000769424583 1023146643 /nfs/dbraw/zinc/14/66/43/1023146643.db2.gz LSIFGQSUGFMYAT-HXUWFJFHSA-N 0 3 311.425 3.955 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000769424583 1023146648 /nfs/dbraw/zinc/14/66/48/1023146648.db2.gz LSIFGQSUGFMYAT-HXUWFJFHSA-N 0 3 311.425 3.955 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCO[C@H]1CCCCO1)C1CCCC1 ZINC000769726159 1023200605 /nfs/dbraw/zinc/20/06/05/1023200605.db2.gz RRGFYRHIQABZTJ-IBGZPJMESA-N 0 3 319.445 3.680 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCO[C@H]1CCCCO1)C1CCCC1 ZINC000769726159 1023200609 /nfs/dbraw/zinc/20/06/09/1023200609.db2.gz RRGFYRHIQABZTJ-IBGZPJMESA-N 0 3 319.445 3.680 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])c1c(C)nn(C)c1C ZINC000756616069 1023200799 /nfs/dbraw/zinc/20/07/99/1023200799.db2.gz HUIDFLOHASGQKI-WBMJQRKESA-N 0 3 301.434 3.853 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccnc(SC)c2)cc1 ZINC000771893827 1023487327 /nfs/dbraw/zinc/48/73/27/1023487327.db2.gz HWRARJJFXIEFFT-UHFFFAOYSA-N 0 3 315.486 3.940 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCCO1)Cc1ccco1 ZINC000787261984 1023776858 /nfs/dbraw/zinc/77/68/58/1023776858.db2.gz YDNABYUSESVSDH-INIZCTEOSA-N 0 3 301.386 3.557 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCCO1)Cc1ccco1 ZINC000787261984 1023776865 /nfs/dbraw/zinc/77/68/65/1023776865.db2.gz YDNABYUSESVSDH-INIZCTEOSA-N 0 3 301.386 3.557 20 10 DHCDHN CC(C)N(C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788504152 1023896252 /nfs/dbraw/zinc/89/62/52/1023896252.db2.gz BKSUFHVXANCENJ-GFCCVEGCSA-N 0 3 318.383 3.792 20 10 DHCDHN CCOC1CC(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000788982317 1023959642 /nfs/dbraw/zinc/95/96/42/1023959642.db2.gz XDOLOAXLQFBIGF-LPXQKFACSA-N 0 3 307.409 3.874 20 10 DHCDHN COC[C@@H](NCc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000194549239 1024006100 /nfs/dbraw/zinc/00/61/00/1024006100.db2.gz QWLOXCVMXKUUKC-MRXNPFEDSA-N 0 3 305.805 3.831 20 10 DHCDHN CCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1[O-] ZINC000789727884 1024158689 /nfs/dbraw/zinc/15/86/89/1024158689.db2.gz JLWYXLAXXQGNAI-UHFFFAOYSA-N 0 3 311.385 3.788 20 10 DHCDHN CCC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1[O-] ZINC000789727884 1024158695 /nfs/dbraw/zinc/15/86/95/1024158695.db2.gz JLWYXLAXXQGNAI-UHFFFAOYSA-N 0 3 311.385 3.788 20 10 DHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(F)cc1)OCO2 ZINC000026237668 1024176921 /nfs/dbraw/zinc/17/69/21/1024176921.db2.gz CVKSXJNUXNATMF-OAHLLOKOSA-N 0 3 315.344 3.597 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000876967731 1033194603 /nfs/dbraw/zinc/19/46/03/1033194603.db2.gz KECJFSUQGAIGKI-XLIONFOSSA-N 0 3 311.425 3.958 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)COC2 ZINC000269048700 1024228910 /nfs/dbraw/zinc/22/89/10/1024228910.db2.gz VIFMWVWORUAHKR-ZDUSSCGKSA-N 0 3 314.404 3.773 20 10 DHCDHN CCCCOc1ncccc1CNCc1c(C)cccc1O ZINC000876986498 1033197840 /nfs/dbraw/zinc/19/78/40/1033197840.db2.gz HAQQELZBTISLKN-UHFFFAOYSA-N 0 3 300.402 3.564 20 10 DHCDHN COC(OC)c1ccc(F)c(CN[C@@H](C)c2ccccc2O)c1 ZINC000883226297 1024301577 /nfs/dbraw/zinc/30/15/77/1024301577.db2.gz VPZNIWYHOQKDKY-LBPRGKRZSA-N 0 3 319.376 3.674 20 10 DHCDHN COC(OC)c1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000883226297 1024301592 /nfs/dbraw/zinc/30/15/92/1024301592.db2.gz VPZNIWYHOQKDKY-LBPRGKRZSA-N 0 3 319.376 3.674 20 10 DHCDHN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1N(C)C ZINC000271539991 1024535266 /nfs/dbraw/zinc/53/52/66/1024535266.db2.gz UEVZRCSYIVZBKM-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000877067140 1033225291 /nfs/dbraw/zinc/22/52/91/1033225291.db2.gz YUVRNYSPTVRUEJ-UHFFFAOYSA-N 0 3 321.424 3.605 20 10 DHCDHN CCc1ccc([C@H]2CN(Cc3cccc(C)c3O)CCO2)cc1 ZINC000792189988 1024645790 /nfs/dbraw/zinc/64/57/90/1024645790.db2.gz PPXXXADFVWXGGO-LJQANCHMSA-N 0 3 311.425 3.837 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000793320466 1024986942 /nfs/dbraw/zinc/98/69/42/1024986942.db2.gz DNGRMUVQQJQPCD-IBGZPJMESA-N 0 3 311.425 3.700 20 10 DHCDHN Cc1n[nH]c(CNCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000885975103 1025426527 /nfs/dbraw/zinc/42/65/27/1025426527.db2.gz KKGGRJAAWHNJDG-UHFFFAOYSA-N 0 3 312.461 3.553 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000279949884 1025515530 /nfs/dbraw/zinc/51/55/30/1025515530.db2.gz BQVHBHMOPGISNQ-SFHVURJKSA-N 0 3 312.413 3.900 20 10 DHCDHN Cc1ccnc(N)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000894017997 1025651805 /nfs/dbraw/zinc/65/18/05/1025651805.db2.gz WIZCVRUAEIKXSK-UHFFFAOYSA-N 0 3 311.429 3.623 20 10 DHCDHN Cc1ccnc(N)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000894017997 1025651814 /nfs/dbraw/zinc/65/18/14/1025651814.db2.gz WIZCVRUAEIKXSK-UHFFFAOYSA-N 0 3 311.429 3.623 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513451 1026055789 /nfs/dbraw/zinc/05/57/89/1026055789.db2.gz JPAJVCKLBYYBIF-CQSZACIVSA-N 0 3 313.401 3.902 20 10 DHCDHN CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000729685668 1026130736 /nfs/dbraw/zinc/13/07/36/1026130736.db2.gz IZNAFNIZDBVJTG-UHFFFAOYSA-N 0 3 301.361 3.709 20 10 DHCDHN COc1ccccc1[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894141581 1026153992 /nfs/dbraw/zinc/15/39/92/1026153992.db2.gz UMPSKVZCMCUKBM-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289860124 1026204534 /nfs/dbraw/zinc/20/45/34/1026204534.db2.gz QXQWQNJWUQWFNK-SJKOYZFVSA-N 0 3 303.427 3.592 20 10 DHCDHN C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190856 1026222825 /nfs/dbraw/zinc/22/28/25/1026222825.db2.gz KHRUJEJBKZXHMG-BEFAXECRSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190856 1026222835 /nfs/dbraw/zinc/22/28/35/1026222835.db2.gz KHRUJEJBKZXHMG-BEFAXECRSA-N 0 3 310.441 3.604 20 10 DHCDHN COc1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)c([O-])c1 ZINC000894185486 1026336031 /nfs/dbraw/zinc/33/60/31/1026336031.db2.gz OTKBHRRYJZYIDK-UHFFFAOYSA-N 0 3 311.303 3.767 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000808691186 1026349132 /nfs/dbraw/zinc/34/91/32/1026349132.db2.gz GBHLOBINCSAYDE-CJNGLKHVSA-N 0 3 319.832 3.608 20 10 DHCDHN Cc1noc(C)c1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808693969 1026350381 /nfs/dbraw/zinc/35/03/81/1026350381.db2.gz WKZZKEFJQFRYTH-SNVBAGLBSA-N 0 3 308.809 3.852 20 10 DHCDHN COc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])ccn1 ZINC000808674103 1026353334 /nfs/dbraw/zinc/35/33/34/1026353334.db2.gz ACRXKYHMZCOUNT-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)c2c1c(F)ccc2[O-] ZINC000808727777 1026358209 /nfs/dbraw/zinc/35/82/09/1026358209.db2.gz LUUVDAPIEMZDCX-LALPHHSUSA-N 0 3 313.372 3.845 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNc2ccccn2)c1[O-] ZINC000808701051 1026375767 /nfs/dbraw/zinc/37/57/67/1026375767.db2.gz ORPYWPLJLODGLT-CYBMUJFWSA-N 0 3 319.836 3.902 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(C)cc1[O-] ZINC000280286013 1026626176 /nfs/dbraw/zinc/62/61/76/1026626176.db2.gz YVRWNVXCBULHCK-GOSISDBHSA-N 0 3 302.462 3.758 20 10 DHCDHN CSc1ccc(CNCc2ccc(N(C)C)c(F)c2)s1 ZINC000810137326 1026686935 /nfs/dbraw/zinc/68/69/35/1026686935.db2.gz AENGWXCFGNBBDZ-UHFFFAOYSA-N 0 3 310.463 3.965 20 10 DHCDHN COc1ccc(O)c(CNCc2cscc2C(F)(F)F)c1 ZINC000810145154 1026690289 /nfs/dbraw/zinc/69/02/89/1026690289.db2.gz UIVAYBVYILNQEG-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])OC ZINC000810260186 1026720029 /nfs/dbraw/zinc/72/00/29/1026720029.db2.gz GTMIVRBOSVLAMS-JQWIXIFHSA-N 0 3 316.239 3.539 20 10 DHCDHN C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCC1(F)F ZINC000811779783 1027081969 /nfs/dbraw/zinc/08/19/69/1027081969.db2.gz SQXKGQCCTBWNEQ-NSHDSACASA-N 0 3 313.388 3.872 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811484 1027439221 /nfs/dbraw/zinc/43/92/21/1027439221.db2.gz ACKAQQLBMTZZEJ-HZPDHXFCSA-N 0 3 301.430 3.851 20 10 DHCDHN CCCCOc1ncccc1CN[C@@H]1CCc2cccc(O)c21 ZINC000296221434 1027579212 /nfs/dbraw/zinc/57/92/12/1027579212.db2.gz ZUPCXKCKHVLJCS-MRXNPFEDSA-N 0 3 312.413 3.743 20 10 DHCDHN COc1cc(Br)cc(CN2CCCC[C@H]2C)c1O ZINC000158924173 1027669862 /nfs/dbraw/zinc/66/98/62/1027669862.db2.gz NQFCDDKLKXZKCZ-SNVBAGLBSA-N 0 3 314.223 3.538 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000778999469 1027744637 /nfs/dbraw/zinc/74/46/37/1027744637.db2.gz NAFMFXJRDVHSRR-GOSISDBHSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000778999469 1027744652 /nfs/dbraw/zinc/74/46/52/1027744652.db2.gz NAFMFXJRDVHSRR-GOSISDBHSA-N 0 3 315.388 3.713 20 10 DHCDHN COc1cccc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000779003196 1027756370 /nfs/dbraw/zinc/75/63/70/1027756370.db2.gz QTQGQIZHLSIWPJ-UHFFFAOYSA-N 0 3 315.388 3.920 20 10 DHCDHN COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779000079 1027757612 /nfs/dbraw/zinc/75/76/12/1027757612.db2.gz PCXNJHBJIBGIEK-QGZVFWFLSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779000079 1027757631 /nfs/dbraw/zinc/75/76/31/1027757631.db2.gz PCXNJHBJIBGIEK-QGZVFWFLSA-N 0 3 315.388 3.747 20 10 DHCDHN Cc1ccc(C)n1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000779003496 1027759010 /nfs/dbraw/zinc/75/90/10/1027759010.db2.gz WJISAWWXXWFVTM-UHFFFAOYSA-N 0 3 302.393 3.787 20 10 DHCDHN CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779021168 1027869625 /nfs/dbraw/zinc/86/96/25/1027869625.db2.gz XOGQEJHXKJPFHC-SFHVURJKSA-N 0 3 314.404 3.934 20 10 DHCDHN CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779021168 1027869640 /nfs/dbraw/zinc/86/96/40/1027869640.db2.gz XOGQEJHXKJPFHC-SFHVURJKSA-N 0 3 314.404 3.934 20 10 DHCDHN CCOc1ccc(CN2Cc3ccccc3O[C@@H](C)C2)c(O)c1 ZINC000814177756 1027913445 /nfs/dbraw/zinc/91/34/45/1027913445.db2.gz NXKZMPSQZZEPSR-AWEZNQCLSA-N 0 3 313.397 3.574 20 10 DHCDHN COC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779026914 1027916868 /nfs/dbraw/zinc/91/68/68/1027916868.db2.gz IEIXKENFBUQXOP-SNVBAGLBSA-N 0 3 316.239 3.539 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1[O-] ZINC000527947015 1027977956 /nfs/dbraw/zinc/97/79/56/1027977956.db2.gz JMEXIWPABBEMSC-FUHWJXTLSA-N 0 3 302.462 3.840 20 10 DHCDHN COc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000527990546 1028014430 /nfs/dbraw/zinc/01/44/30/1028014430.db2.gz OWHMCTBQQLEIKW-GFCCVEGCSA-N 0 3 320.820 3.651 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)c2c1c(F)ccc2[O-] ZINC000528004091 1028031016 /nfs/dbraw/zinc/03/10/16/1028031016.db2.gz VDEFZUAQBJEKND-IVMMDQJWSA-N 0 3 318.436 3.686 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1[O-] ZINC000159573023 1028089464 /nfs/dbraw/zinc/08/94/64/1028089464.db2.gz QXXPMHIOPWAYQW-SFHVURJKSA-N 0 3 307.397 3.819 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000779058378 1028105723 /nfs/dbraw/zinc/10/57/23/1028105723.db2.gz RLGBEKMAKZIQRE-HNNXBMFYSA-N 0 3 305.324 3.674 20 10 DHCDHN CC(C)[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000814630841 1028131197 /nfs/dbraw/zinc/13/11/97/1028131197.db2.gz ZESAXOBYEOKLPF-OXJNMPFZSA-N 0 3 313.441 3.972 20 10 DHCDHN CC(C)[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000814630841 1028131203 /nfs/dbraw/zinc/13/12/03/1028131203.db2.gz ZESAXOBYEOKLPF-OXJNMPFZSA-N 0 3 313.441 3.972 20 10 DHCDHN CCOc1cccc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)c1O ZINC000367958432 1028265110 /nfs/dbraw/zinc/26/51/10/1028265110.db2.gz QYWZZCNUKLBLCQ-PIGZYNQJSA-N 0 3 317.360 3.542 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000368795964 1028410759 /nfs/dbraw/zinc/41/07/59/1028410759.db2.gz HYLZKQHSVNZTTA-FUHWJXTLSA-N 0 3 319.445 3.503 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cncc(F)c1)C1CCCC1 ZINC000779157943 1028469502 /nfs/dbraw/zinc/46/95/02/1028469502.db2.gz WHXYJDSMJVWZCX-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cncc(F)c1)C1CCCC1 ZINC000779157943 1028469509 /nfs/dbraw/zinc/46/95/09/1028469509.db2.gz WHXYJDSMJVWZCX-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN CC[C@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582693 1028553865 /nfs/dbraw/zinc/55/38/65/1028553865.db2.gz MXOFFTSHSZFCNY-MJGOQNOKSA-N 0 3 313.441 3.817 20 10 DHCDHN COc1nc(C)cc(C)c1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000815574519 1028567218 /nfs/dbraw/zinc/56/72/18/1028567218.db2.gz SXCCNQNIXZLEAK-HNNXBMFYSA-N 0 3 314.429 3.880 20 10 DHCDHN CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])c2ccccc21 ZINC000370372979 1028596360 /nfs/dbraw/zinc/59/63/60/1028596360.db2.gz GVFWJDOZOJKXSX-KSSFIOAISA-N 0 3 324.424 3.849 20 10 DHCDHN Cc1ccc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000371678514 1028744517 /nfs/dbraw/zinc/74/45/17/1028744517.db2.gz ALKXNMMPXCOLKQ-UHFFFAOYSA-N 0 3 300.377 3.614 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267305 1028836512 /nfs/dbraw/zinc/83/65/12/1028836512.db2.gz KCQPKNYSONRRNZ-LJQANCHMSA-N 0 3 324.424 3.860 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267305 1028836523 /nfs/dbraw/zinc/83/65/23/1028836523.db2.gz KCQPKNYSONRRNZ-LJQANCHMSA-N 0 3 324.424 3.860 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](n2nc(C)cc2C)C1 ZINC000372597184 1028873653 /nfs/dbraw/zinc/87/36/53/1028873653.db2.gz XUJIVPPEFIDESN-WMZOPIPTSA-N 0 3 313.445 3.994 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](n2nc(C)cc2C)C1 ZINC000372597184 1028873672 /nfs/dbraw/zinc/87/36/72/1028873672.db2.gz XUJIVPPEFIDESN-WMZOPIPTSA-N 0 3 313.445 3.994 20 10 DHCDHN Cc1sccc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000816481541 1028895215 /nfs/dbraw/zinc/89/52/15/1028895215.db2.gz ZUKFHYHRJULVDM-KRWDZBQOSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1sccc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000816481541 1028895230 /nfs/dbraw/zinc/89/52/30/1028895230.db2.gz ZUKFHYHRJULVDM-KRWDZBQOSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000816662806 1028984796 /nfs/dbraw/zinc/98/47/96/1028984796.db2.gz ZAUCTIHUGZKTFQ-KRWDZBQOSA-N 0 3 311.853 3.585 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000816662806 1028984808 /nfs/dbraw/zinc/98/48/08/1028984808.db2.gz ZAUCTIHUGZKTFQ-KRWDZBQOSA-N 0 3 311.853 3.585 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(C)cc1[O-] ZINC000373564699 1029078912 /nfs/dbraw/zinc/07/89/12/1029078912.db2.gz UXZIFVWPLGCNFV-QGZVFWFLSA-N 0 3 313.445 3.517 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000817412161 1029151847 /nfs/dbraw/zinc/15/18/47/1029151847.db2.gz FBFDHWSHHVPUCO-GFCCVEGCSA-N 0 3 317.351 3.955 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000817412161 1029151856 /nfs/dbraw/zinc/15/18/56/1029151856.db2.gz FBFDHWSHHVPUCO-GFCCVEGCSA-N 0 3 317.351 3.955 20 10 DHCDHN CCC(N)(CC)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817960563 1029301505 /nfs/dbraw/zinc/30/15/05/1029301505.db2.gz ODLFNBSYUAPYEM-SNVBAGLBSA-N 0 3 304.356 3.579 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971526 1029310206 /nfs/dbraw/zinc/31/02/06/1029310206.db2.gz NQKHHXNIHMFRLG-KWBADKCTSA-N 0 3 317.260 3.880 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971522 1029310491 /nfs/dbraw/zinc/31/04/91/1029310491.db2.gz NQKHHXNIHMFRLG-BREBYQMCSA-N 0 3 317.260 3.880 20 10 DHCDHN CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)c2cc(N)ccc2O1 ZINC000817974843 1029310598 /nfs/dbraw/zinc/31/05/98/1029310598.db2.gz GEEIYUJJEVOEQA-JKSUJKDBSA-N 0 3 324.424 3.854 20 10 DHCDHN COc1cccc(CNCc2ccsc2C(F)(F)F)c1O ZINC000529567703 1029428168 /nfs/dbraw/zinc/42/81/68/1029428168.db2.gz NHCQRDZQPMLRRY-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1)c1ccccc1[O-] ZINC000374711563 1029441459 /nfs/dbraw/zinc/44/14/59/1029441459.db2.gz RKMNOXSFHVTKSP-IYOUNJFTSA-N 0 3 316.470 3.797 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1cccs1)c1ccccc1[O-] ZINC000374711564 1029441503 /nfs/dbraw/zinc/44/15/03/1029441503.db2.gz RKMNOXSFHVTKSP-PMUMKWKESA-N 0 3 316.470 3.797 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccs1)c1ccccc1[O-] ZINC000374711562 1029442253 /nfs/dbraw/zinc/44/22/53/1029442253.db2.gz RKMNOXSFHVTKSP-DEYYWGMASA-N 0 3 316.470 3.797 20 10 DHCDHN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000530215877 1029786033 /nfs/dbraw/zinc/78/60/33/1029786033.db2.gz JVPFICWXZCAEPV-XPTSAGLGSA-N 0 3 315.244 3.634 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000822539904 1030057503 /nfs/dbraw/zinc/05/75/03/1030057503.db2.gz PTXPGPMTXVFSNF-BCDXTJNWSA-N 0 3 309.409 3.859 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000865871881 1030068569 /nfs/dbraw/zinc/06/85/69/1030068569.db2.gz MPMHWXPMYDMLKQ-SFHVURJKSA-N 0 3 319.408 3.880 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccnn1CC1CCC1 ZINC000924573264 1030127705 /nfs/dbraw/zinc/12/77/05/1030127705.db2.gz GWHYKWPEDSRGND-OAHLLOKOSA-N 0 3 312.461 3.600 20 10 DHCDHN CC[C@H](NCc1ccc(N(C)C)cc1C)c1cccc(OC)n1 ZINC000925082018 1030267230 /nfs/dbraw/zinc/26/72/30/1030267230.db2.gz SZENHPCOAQZPLP-KRWDZBQOSA-N 0 3 313.445 3.706 20 10 DHCDHN C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866409554 1030285209 /nfs/dbraw/zinc/28/52/09/1030285209.db2.gz NHXSTRPTXJXZQA-ZBEGNZNMSA-N 0 3 323.795 3.959 20 10 DHCDHN Oc1ccccc1CN(Cc1ccncc1F)C1CCCC1 ZINC000823447830 1030288564 /nfs/dbraw/zinc/28/85/64/1030288564.db2.gz NTXXWNWOLJLFBY-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN COc1cc(C)ccc1CNCc1ccc2c(c1)CCCN2C ZINC000823730622 1030385134 /nfs/dbraw/zinc/38/51/34/1030385134.db2.gz YBDUZKGVLVPGLH-UHFFFAOYSA-N 0 3 310.441 3.676 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCn3nccc32)c1[O-] ZINC000866634939 1030415776 /nfs/dbraw/zinc/41/57/76/1030415776.db2.gz VYJPJSWFLGFCIY-FZMZJTMJSA-N 0 3 305.809 3.736 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1F ZINC000121197894 1030428331 /nfs/dbraw/zinc/42/83/31/1030428331.db2.gz HGGFKDKBWRVQNB-QGZVFWFLSA-N 0 3 320.358 3.947 20 10 DHCDHN CCC1([NH3+])CCN([C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000925761248 1030485265 /nfs/dbraw/zinc/48/52/65/1030485265.db2.gz XSSIXOVPCKBZKG-NSHDSACASA-N 0 3 316.367 3.675 20 10 DHCDHN Cc1cc([O-])c(CN2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000824549047 1030579748 /nfs/dbraw/zinc/57/97/48/1030579748.db2.gz VQYFAFJEPROIPK-UHFFFAOYSA-N 0 3 322.880 3.804 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1[O-] ZINC000824697096 1030604033 /nfs/dbraw/zinc/60/40/33/1030604033.db2.gz YUEZHTUDHNKSEU-INIZCTEOSA-N 0 3 305.805 3.519 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1[O-] ZINC000824697096 1030604040 /nfs/dbraw/zinc/60/40/40/1030604040.db2.gz YUEZHTUDHNKSEU-INIZCTEOSA-N 0 3 305.805 3.519 20 10 DHCDHN CO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000824815420 1030648717 /nfs/dbraw/zinc/64/87/17/1030648717.db2.gz OLKQTNRAVDMYQN-YWZLYKJASA-N 0 3 311.425 3.916 20 10 DHCDHN CO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000824815420 1030648725 /nfs/dbraw/zinc/64/87/25/1030648725.db2.gz OLKQTNRAVDMYQN-YWZLYKJASA-N 0 3 311.425 3.916 20 10 DHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)c(F)c1)CC2 ZINC000122431359 1030701441 /nfs/dbraw/zinc/70/14/41/1030701441.db2.gz SFZFKYQDIWDHBX-SFHVURJKSA-N 0 3 314.404 3.677 20 10 DHCDHN Cc1cccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000825045505 1030706877 /nfs/dbraw/zinc/70/68/77/1030706877.db2.gz FTPOVPZBPJYWLF-CYBMUJFWSA-N 0 3 307.315 3.895 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338066 1030781465 /nfs/dbraw/zinc/78/14/65/1030781465.db2.gz LAYVCCUMOIMASC-MRXNPFEDSA-N 0 3 311.425 3.654 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338066 1030781480 /nfs/dbraw/zinc/78/14/80/1030781480.db2.gz LAYVCCUMOIMASC-MRXNPFEDSA-N 0 3 311.425 3.654 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CCc3ccccc3N1)CC2 ZINC000844923381 1031400975 /nfs/dbraw/zinc/40/09/75/1031400975.db2.gz FUOXSAXWVDOHCP-SJLPKXTDSA-N 0 3 308.425 3.786 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000360505452 1031451304 /nfs/dbraw/zinc/45/13/04/1031451304.db2.gz XNFYWRSCOOXNGW-UHFFFAOYSA-N 0 3 311.425 3.936 20 10 DHCDHN CC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1[O-] ZINC000872110795 1031504208 /nfs/dbraw/zinc/50/42/08/1031504208.db2.gz QLLAMWSEQSERJO-SNVBAGLBSA-N 0 3 313.266 3.605 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccc(O)cc1C(F)(F)F ZINC001144391715 1031514673 /nfs/dbraw/zinc/51/46/73/1031514673.db2.gz WPNNEGXTYXFXIX-UHFFFAOYSA-N 0 3 311.303 3.749 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccc(O)cc1C(F)(F)F ZINC001144391715 1031514681 /nfs/dbraw/zinc/51/46/81/1031514681.db2.gz WPNNEGXTYXFXIX-UHFFFAOYSA-N 0 3 311.303 3.749 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccccc1[O-] ZINC000360698639 1031525976 /nfs/dbraw/zinc/52/59/76/1031525976.db2.gz LRKDVFWHTGQTNA-CQSZACIVSA-N 0 3 307.397 3.644 20 10 DHCDHN CCCn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000124085440 1031607115 /nfs/dbraw/zinc/60/71/15/1031607115.db2.gz DQBPJFRLRLZDIQ-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CCCn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000124085440 1031607120 /nfs/dbraw/zinc/60/71/20/1031607120.db2.gz DQBPJFRLRLZDIQ-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CC(=O)Nc1cccc2c1CN(Cc1cc(C)cc(C)c1O)CC2 ZINC000872661604 1031639846 /nfs/dbraw/zinc/63/98/46/1031639846.db2.gz XTOPVYHGFDDXQA-UHFFFAOYSA-N 0 3 324.424 3.526 20 10 DHCDHN Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC000872815974 1031666981 /nfs/dbraw/zinc/66/69/81/1031666981.db2.gz FFTSONKLSVZAAV-SWLSCSKDSA-N 0 3 317.351 3.551 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2[O-] ZINC000873289197 1031789360 /nfs/dbraw/zinc/78/93/60/1031789360.db2.gz QVAUVYJIHLIQQZ-XPTSAGLGSA-N 0 3 304.340 3.591 20 10 DHCDHN CC1(C)C[C@H]([NH2+]Cc2ccccc2[O-])c2cc(F)ccc2O1 ZINC000846053310 1031845123 /nfs/dbraw/zinc/84/51/23/1031845123.db2.gz UPSDCFINADKZIE-HNNXBMFYSA-N 0 3 301.361 3.923 20 10 DHCDHN COc1cccc([C@@H](C)NCc2cc(Cl)ccc2OC)c1O ZINC000846141488 1031902394 /nfs/dbraw/zinc/90/23/94/1031902394.db2.gz KDEWGBSPCDYBRH-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1C ZINC000846183487 1031917037 /nfs/dbraw/zinc/91/70/37/1031917037.db2.gz OTZXEBRGIZBYFR-PMUMKWKESA-N 0 3 317.404 3.921 20 10 DHCDHN Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000294529968 1032046901 /nfs/dbraw/zinc/04/69/01/1032046901.db2.gz GZRXIDMQVQSUNM-UHFFFAOYSA-N 0 3 316.470 3.525 20 10 DHCDHN COC[C@H](NCc1ccc(C)cc1O)c1cccc(Cl)c1 ZINC000877537073 1033343855 /nfs/dbraw/zinc/34/38/55/1033343855.db2.gz GYBJKFRMMIFPMQ-INIZCTEOSA-N 0 3 305.805 3.831 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c([O-])c1 ZINC000877549152 1033349627 /nfs/dbraw/zinc/34/96/27/1033349627.db2.gz HTLQYRGCEKMLRG-LJQANCHMSA-N 0 3 311.425 3.694 20 10 DHCDHN COc1ccccc1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000126645987 1033410975 /nfs/dbraw/zinc/41/09/75/1033410975.db2.gz QSGZDLLCMTWNNB-OAHLLOKOSA-N 0 3 310.441 3.928 20 10 DHCDHN COC[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877755765 1033431771 /nfs/dbraw/zinc/43/17/71/1033431771.db2.gz MDMAROUZCXAZDK-HUUCEWRRSA-N 0 3 315.413 3.657 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1[O-] ZINC000877756596 1033434657 /nfs/dbraw/zinc/43/46/57/1033434657.db2.gz WTABGAKAPDQLAN-GFCCVEGCSA-N 0 3 307.340 3.887 20 10 DHCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(Cl)c1OC ZINC000877756448 1033435146 /nfs/dbraw/zinc/43/51/46/1033435146.db2.gz JBRFVOHQYQSYEE-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@H](NCc1cnc([C@H]2CCCO2)s1)c1ccccc1O ZINC000877757198 1033435785 /nfs/dbraw/zinc/43/57/85/1033435785.db2.gz NJCUOCXIOITVIK-XHDPSFHLSA-N 0 3 304.415 3.551 20 10 DHCDHN C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccccc1[O-] ZINC000877757198 1033435793 /nfs/dbraw/zinc/43/57/93/1033435793.db2.gz NJCUOCXIOITVIK-XHDPSFHLSA-N 0 3 304.415 3.551 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000877811962 1033460742 /nfs/dbraw/zinc/46/07/42/1033460742.db2.gz DFXNRYFWRMYCPD-AWEZNQCLSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000877811962 1033460747 /nfs/dbraw/zinc/46/07/47/1033460747.db2.gz DFXNRYFWRMYCPD-AWEZNQCLSA-N 0 3 303.324 3.565 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000877828046 1033476047 /nfs/dbraw/zinc/47/60/47/1033476047.db2.gz DOKDYZZJANCYSO-VIFPVBQESA-N 0 3 314.282 3.796 20 10 DHCDHN CC[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1[O-] ZINC000927070995 1033522692 /nfs/dbraw/zinc/52/26/92/1033522692.db2.gz RMIAXUITUWNIBT-WMZOPIPTSA-N 0 3 301.434 3.872 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529299 1033873708 /nfs/dbraw/zinc/87/37/08/1033873708.db2.gz RJEYUTMNMWJGGG-PZJWPPBQSA-N 0 3 323.436 3.654 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529299 1033873718 /nfs/dbraw/zinc/87/37/18/1033873718.db2.gz RJEYUTMNMWJGGG-PZJWPPBQSA-N 0 3 323.436 3.654 20 10 DHCDHN Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1Br ZINC000127896608 1034067416 /nfs/dbraw/zinc/06/74/16/1034067416.db2.gz KDNQPFJJBYTXRX-UHFFFAOYSA-N 0 3 306.203 3.753 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(C)cc1 ZINC000879650225 1034074259 /nfs/dbraw/zinc/07/42/59/1034074259.db2.gz QJHDIRWPYGSJEC-WMLDXEAASA-N 0 3 312.413 3.769 20 10 DHCDHN C[C@H](c1ccccc1)[N@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC000176682850 1034103404 /nfs/dbraw/zinc/10/34/04/1034103404.db2.gz TXUJALHWVQABOV-QGZVFWFLSA-N 0 3 321.424 3.852 20 10 DHCDHN C[C@H](c1ccccc1)[N@@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC000176682850 1034103408 /nfs/dbraw/zinc/10/34/08/1034103408.db2.gz TXUJALHWVQABOV-QGZVFWFLSA-N 0 3 321.424 3.852 20 10 DHCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000178241961 1034223436 /nfs/dbraw/zinc/22/34/36/1034223436.db2.gz HZPDSWGWQCPZSL-ZDUSSCGKSA-N 0 3 320.433 3.575 20 10 DHCDHN CCOC(=O)c1ccc(C[N@H+](CC)Cc2ccccc2[O-])cc1 ZINC001142599395 1034300429 /nfs/dbraw/zinc/30/04/29/1034300429.db2.gz HXDHHVJOJFMRQR-UHFFFAOYSA-N 0 3 313.397 3.591 20 10 DHCDHN CCOC(=O)c1ccc(C[N@@H+](CC)Cc2ccccc2[O-])cc1 ZINC001142599395 1034300443 /nfs/dbraw/zinc/30/04/43/1034300443.db2.gz HXDHHVJOJFMRQR-UHFFFAOYSA-N 0 3 313.397 3.591 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000183331170 1034375523 /nfs/dbraw/zinc/37/55/23/1034375523.db2.gz PXRNJFJTXHYEOH-NVXWUHKLSA-N 0 3 305.805 3.820 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000183379200 1034380382 /nfs/dbraw/zinc/38/03/82/1034380382.db2.gz IPIVPVAPQKCYLI-DOTOQJQBSA-N 0 3 314.429 3.863 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000183379162 1034380695 /nfs/dbraw/zinc/38/06/95/1034380695.db2.gz IPIVPVAPQKCYLI-RDJZCZTQSA-N 0 3 314.429 3.863 20 10 DHCDHN COc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1[O-])O[C@H](C)C2 ZINC000183406943 1034383446 /nfs/dbraw/zinc/38/34/46/1034383446.db2.gz BYPVVUVEMDBTGV-CHWSQXEVSA-N 0 3 313.397 3.575 20 10 DHCDHN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183516986 1034393318 /nfs/dbraw/zinc/39/33/18/1034393318.db2.gz XPWIOXBGPSKREO-LIRRHRJNSA-N 0 3 315.413 3.564 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000183625119 1034404496 /nfs/dbraw/zinc/40/44/96/1034404496.db2.gz FHFQPYNXWPZCRA-QAPCUYQASA-N 0 3 313.441 3.845 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183645298 1034408134 /nfs/dbraw/zinc/40/81/34/1034408134.db2.gz ZXMKSIFNKLWKRO-SDDDUWNISA-N 0 3 319.351 3.851 20 10 DHCDHN Cc1cnccc1Nc1c(O)cc(C(F)(F)F)cc1Cl ZINC001174539167 1034454454 /nfs/dbraw/zinc/45/44/54/1034454454.db2.gz VWKKKSVTBNDRGJ-UHFFFAOYSA-N 0 3 302.683 3.933 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1[O-] ZINC000794801767 1034472469 /nfs/dbraw/zinc/47/24/69/1034472469.db2.gz KZWKEFBJAYDQAD-SJLPKXTDSA-N 0 3 311.429 3.917 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(C)cc1[O-] ZINC000794812731 1034519335 /nfs/dbraw/zinc/51/93/35/1034519335.db2.gz FHUGWXIHZMRMQN-IEBWSBKVSA-N 0 3 313.441 3.653 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1[O-] ZINC000794813447 1034520952 /nfs/dbraw/zinc/52/09/52/1034520952.db2.gz DSFREBNJLXUIQD-RTBURBONSA-N 0 3 310.441 3.928 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000794815853 1034527591 /nfs/dbraw/zinc/52/75/91/1034527591.db2.gz PTMFGOAUFUWNCX-OCCSQVGLSA-N 0 3 305.340 3.709 20 10 DHCDHN CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185085579 1034528412 /nfs/dbraw/zinc/52/84/12/1034528412.db2.gz VSEMKDOYQKWJDI-CYBMUJFWSA-N 0 3 317.408 3.623 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1[O-] ZINC000185208116 1034536405 /nfs/dbraw/zinc/53/64/05/1034536405.db2.gz CSYZRRCDSUXMPI-KRWDZBQOSA-N 0 3 311.429 3.628 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccc(C)cc1[O-] ZINC000794817612 1034539416 /nfs/dbraw/zinc/53/94/16/1034539416.db2.gz UJCGWNJVZIMIOS-SJORKVTESA-N 0 3 315.461 3.915 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC000185323387 1034541478 /nfs/dbraw/zinc/54/14/78/1034541478.db2.gz SYIDFCIWZRHZDQ-AWEZNQCLSA-N 0 3 313.397 3.713 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(C)cc1[O-] ZINC000794819253 1034541875 /nfs/dbraw/zinc/54/18/75/1034541875.db2.gz VYGQVXQESWGCCY-QGZVFWFLSA-N 0 3 311.429 3.651 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185544866 1034557936 /nfs/dbraw/zinc/55/79/36/1034557936.db2.gz QTVKHBRKDIYQAN-LBPRGKRZSA-N 0 3 307.825 3.682 20 10 DHCDHN COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1[O-])OC(C)C ZINC000185722165 1034566864 /nfs/dbraw/zinc/56/68/64/1034566864.db2.gz MYRDVCCUOIGNCW-LJQANCHMSA-N 0 3 315.413 3.657 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c([O-])c1 ZINC000185738392 1034570139 /nfs/dbraw/zinc/57/01/39/1034570139.db2.gz RBVUXWGGPDDXAR-SOLBZPMBSA-N 0 3 313.441 3.906 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000186010668 1034594046 /nfs/dbraw/zinc/59/40/46/1034594046.db2.gz ZOJGSVCXVXHYAS-BMIGLBTASA-N 0 3 305.324 3.845 20 10 DHCDHN CN1CCCc2cc(CNCc3ccc(C(F)F)nc3)ccc21 ZINC000865437479 1034646284 /nfs/dbraw/zinc/64/62/84/1034646284.db2.gz NVBJTZKKIKEAFW-UHFFFAOYSA-N 0 3 317.383 3.691 20 10 DHCDHN Cc1ccc(CNCc2ccccc2O)c(Br)c1 ZINC000159543232 1035067966 /nfs/dbraw/zinc/06/79/66/1035067966.db2.gz CLOYIIIONMZYRZ-UHFFFAOYSA-N 0 3 306.203 3.753 20 10 DHCDHN Cc1cc(CNCc2ccc3c(c2)CCO3)cc2cccnc12 ZINC001177587090 1035382813 /nfs/dbraw/zinc/38/28/13/1035382813.db2.gz WVRRFBRVDHVONB-UHFFFAOYSA-N 0 3 304.393 3.768 20 10 DHCDHN Cc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1 ZINC000775572202 1035567582 /nfs/dbraw/zinc/56/75/82/1035567582.db2.gz PEWWEGJXGLHEOD-UHFFFAOYSA-N 0 3 309.457 3.929 20 10 DHCDHN Cc1ccc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC001180149092 1035610296 /nfs/dbraw/zinc/61/02/96/1035610296.db2.gz UOAQEJJUAQKDJT-UZLBHIALSA-N 0 3 311.425 3.971 20 10 DHCDHN CCCCN(Cc1ccccc1O)[C@H](C(=O)OC)[C@@H](C)CC ZINC001193840262 1035736137 /nfs/dbraw/zinc/73/61/37/1035736137.db2.gz YAEAEGWPTSHGPC-YOEHRIQHSA-N 0 3 307.434 3.582 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001181085939 1035825438 /nfs/dbraw/zinc/82/54/38/1035825438.db2.gz HZRSXKXDCWTJHU-WMZOPIPTSA-N 0 3 301.361 3.541 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000774400150 1036318444 /nfs/dbraw/zinc/31/84/44/1036318444.db2.gz UENHCPWMIDNVKR-FSBGKCOPSA-N 0 3 319.351 3.542 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000775738354 1036598264 /nfs/dbraw/zinc/59/82/64/1036598264.db2.gz BDRDKCLYSLYCJU-KBPBESRZSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000775738354 1036598267 /nfs/dbraw/zinc/59/82/67/1036598267.db2.gz BDRDKCLYSLYCJU-KBPBESRZSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1ccc(F)cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC001197004866 1036666132 /nfs/dbraw/zinc/66/61/32/1036666132.db2.gz WCRNXHHOMVZSKL-CYBMUJFWSA-N 0 3 316.376 3.519 20 10 DHCDHN CC(C)[C@@H]1CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775764961 1036721906 /nfs/dbraw/zinc/72/19/06/1036721906.db2.gz MHFSQBBFRWMFTB-INIZCTEOSA-N 0 3 317.433 3.815 20 10 DHCDHN CC[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccccc1[O-] ZINC000155755630 1036850936 /nfs/dbraw/zinc/85/09/36/1036850936.db2.gz HPQXFFQGPCHVDF-UYAOXDASSA-N 0 3 311.425 3.657 20 10 DHCDHN Cc1nccn1CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000762925585 1037073451 /nfs/dbraw/zinc/07/34/51/1037073451.db2.gz IJOOORYIHWXVOX-UHFFFAOYSA-N 0 3 313.445 3.732 20 10 DHCDHN Cc1nccn1CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000762925585 1037073474 /nfs/dbraw/zinc/07/34/74/1037073474.db2.gz IJOOORYIHWXVOX-UHFFFAOYSA-N 0 3 313.445 3.732 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000776021240 1037334358 /nfs/dbraw/zinc/33/43/58/1037334358.db2.gz YTFJSPXITRRDAK-UHFFFAOYSA-N 0 3 303.352 3.925 20 10 DHCDHN C[C@@H](NCc1nc2cc(Cl)ccc2n1C)c1ccccc1O ZINC000775130573 1037670113 /nfs/dbraw/zinc/67/01/13/1037670113.db2.gz MDRZSRSUTREVSG-LLVKDONJSA-N 0 3 315.804 3.783 20 10 DHCDHN CCN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001201590250 1037794479 /nfs/dbraw/zinc/79/44/79/1037794479.db2.gz RGSJKDJUBFJMGI-UHFFFAOYSA-N 0 3 307.397 3.637 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CCSCC(F)(F)F)c1[O-] ZINC000776252750 1038073225 /nfs/dbraw/zinc/07/32/25/1038073225.db2.gz XFHDWJQMYXFUGF-UHFFFAOYSA-N 0 3 313.772 3.739 20 10 DHCDHN CC[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1[O-] ZINC000156834745 1038338165 /nfs/dbraw/zinc/33/81/65/1038338165.db2.gz MEGQZPIILDAFNM-INIZCTEOSA-N 0 3 323.396 3.726 20 10 DHCDHN CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000775489615 1038564746 /nfs/dbraw/zinc/56/47/46/1038564746.db2.gz VVITXCSFNPFQCJ-KRWDZBQOSA-N 0 3 312.413 3.982 20 10 DHCDHN CC[C@H]([NH2+]CCCn1ccnc1C)c1cc(Cl)ccc1[O-] ZINC000775491326 1038570070 /nfs/dbraw/zinc/57/00/70/1038570070.db2.gz IMSJTBFGAGMXQN-HNNXBMFYSA-N 0 3 307.825 3.682 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000775495804 1038575190 /nfs/dbraw/zinc/57/51/90/1038575190.db2.gz AHGPWDBKWFLOIL-JXFKEZNVSA-N 0 3 324.468 3.880 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000775495807 1038575446 /nfs/dbraw/zinc/57/54/46/1038575446.db2.gz AHGPWDBKWFLOIL-OXQOHEQNSA-N 0 3 324.468 3.880 20 10 DHCDHN CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccccc1[O-] ZINC000775539376 1038686692 /nfs/dbraw/zinc/68/66/92/1038686692.db2.gz CHLCLVORBFEUEW-OAHLLOKOSA-N 0 3 311.381 3.851 20 10 DHCDHN CC[C@@H](C[NH2+][C@@H](CC)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000227711816 1040366510 /nfs/dbraw/zinc/36/65/10/1040366510.db2.gz MFRUPLURYUZHMO-ZFWWWQNUSA-N 0 3 322.449 3.736 20 10 DHCDHN COc1cc(Cl)cc(CNCc2ccccc2Cl)c1O ZINC000228669768 1041045548 /nfs/dbraw/zinc/04/55/48/1041045548.db2.gz NTMUGSKPBVQYTB-UHFFFAOYSA-N 0 3 312.196 3.997 20 10 DHCDHN CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000228793430 1041177571 /nfs/dbraw/zinc/17/75/71/1041177571.db2.gz OBXKQSABUGMOLL-HIFRSBDPSA-N 0 3 322.449 3.592 20 10 DHCDHN CCOc1cccc(CN2CCC(OC(C)(C)C)CC2)c1O ZINC000092454178 185319508 /nfs/dbraw/zinc/31/95/08/185319508.db2.gz TYGPGQAWPWZCEL-UHFFFAOYSA-N 0 3 307.434 3.570 20 10 DHCDHN CCOc1cccc(C[NH+]2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000092454178 185319509 /nfs/dbraw/zinc/31/95/09/185319509.db2.gz TYGPGQAWPWZCEL-UHFFFAOYSA-N 0 3 307.434 3.570 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCCCCSC)c1[O-] ZINC000187673252 200142742 /nfs/dbraw/zinc/14/27/42/200142742.db2.gz ZZSVUKFHSZAVQX-UHFFFAOYSA-N 0 3 303.855 3.677 20 10 DHCDHN Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000272460570 130033223 /nfs/dbraw/zinc/03/32/23/130033223.db2.gz QPSLFBNAEKVPAC-KRWDZBQOSA-N 0 3 321.424 3.715 20 10 DHCDHN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000272460570 130033225 /nfs/dbraw/zinc/03/32/25/130033225.db2.gz QPSLFBNAEKVPAC-KRWDZBQOSA-N 0 3 321.424 3.715 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343763 130109241 /nfs/dbraw/zinc/10/92/41/130109241.db2.gz AFKMKBFYFAKZLO-CABCVRRESA-N 0 3 319.445 3.933 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c([O-])c1 ZINC000273365938 130113239 /nfs/dbraw/zinc/11/32/39/130113239.db2.gz FCBVAXDDTKPGDU-BBRMVZONSA-N 0 3 304.459 3.716 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c([O-])c1 ZINC000273391060 130115636 /nfs/dbraw/zinc/11/56/36/130115636.db2.gz KQROHUYWUTWXTN-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000273503942 130129347 /nfs/dbraw/zinc/12/93/47/130129347.db2.gz QSDVWZPXCLZPMF-OKHZJLECSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000273508672 130131184 /nfs/dbraw/zinc/13/11/84/130131184.db2.gz RINKMYXMYQZVSQ-ALLJEULLSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c(O)c1C ZINC000273528085 130132210 /nfs/dbraw/zinc/13/22/10/130132210.db2.gz VRNHEENMZJGZKD-CYBMUJFWSA-N 0 3 300.358 3.768 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCCCNc2ccccn2)c([O-])c1C ZINC000273587805 130139702 /nfs/dbraw/zinc/13/97/02/130139702.db2.gz OFDOYICBKVQFPK-INIZCTEOSA-N 0 3 313.445 3.947 20 10 DHCDHN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273595104 130142041 /nfs/dbraw/zinc/14/20/41/130142041.db2.gz QHKCAWDUFDOWLM-YPMHNXCESA-N 0 3 302.418 3.896 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([O-])c1C ZINC000274350706 130228239 /nfs/dbraw/zinc/22/82/39/130228239.db2.gz GDRAVYHQAVHPBK-OXXUSNJHSA-N 0 3 301.430 3.617 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000274933708 130274463 /nfs/dbraw/zinc/27/44/63/130274463.db2.gz LLLOGIGXXXZUIE-NLWGTHIKSA-N 0 3 323.436 3.593 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCSC2)c1[O-] ZINC000275158281 130296602 /nfs/dbraw/zinc/29/66/02/130296602.db2.gz AAOIKRLMQYYGAT-MWLCHTKSSA-N 0 3 316.264 3.619 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c([O-])c1 ZINC000282618099 130931850 /nfs/dbraw/zinc/93/18/50/130931850.db2.gz IUEAUFZLFQEJDF-GOSISDBHSA-N 0 3 319.445 3.620 20 10 DHCDHN CCCOc1ccc(CNC(C)(C)c2c(C)noc2C)c(O)c1 ZINC000285558336 131180266 /nfs/dbraw/zinc/18/02/66/131180266.db2.gz SEDGJAKHOUHGNZ-UHFFFAOYSA-N 0 3 318.417 3.811 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000285890038 131208390 /nfs/dbraw/zinc/20/83/90/131208390.db2.gz CFFYPFZKJCWROM-QGZVFWFLSA-N 0 3 306.425 3.589 20 10 DHCDHN C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000287111449 131264330 /nfs/dbraw/zinc/26/43/30/131264330.db2.gz QPSIZIAAEJNKID-SJCJKPOMSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000287111442 131264591 /nfs/dbraw/zinc/26/45/91/131264591.db2.gz QPSIZIAAEJNKID-PXAZEXFGSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@@H](NCc1c(F)cccc1N1CCCC1)c1ccccc1O ZINC000287340458 131275788 /nfs/dbraw/zinc/27/57/88/131275788.db2.gz GHAYYVKLBVXWQV-CQSZACIVSA-N 0 3 314.404 3.982 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000287641201 131292099 /nfs/dbraw/zinc/29/20/99/131292099.db2.gz UQBVSLBETXUULX-KEYYUXOJSA-N 0 3 303.446 3.594 20 10 DHCDHN COc1ccc([O-])c(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1 ZINC000289389620 131381877 /nfs/dbraw/zinc/38/18/77/131381877.db2.gz DRVDHTVVVJLMOE-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN COc1ccc([O-])c(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c1 ZINC000289389620 131381879 /nfs/dbraw/zinc/38/18/79/131381879.db2.gz DRVDHTVVVJLMOE-UHFFFAOYSA-N 0 3 313.397 3.519 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000289423307 131385590 /nfs/dbraw/zinc/38/55/90/131385590.db2.gz BTDDVTMOEZIVQY-HXUWFJFHSA-N 0 3 323.436 3.884 20 10 DHCDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000289743009 131412032 /nfs/dbraw/zinc/41/20/32/131412032.db2.gz KRBJCHDUIOWOSB-BJLQDIEVSA-N 0 3 311.425 3.599 20 10 DHCDHN CSC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCOCC1 ZINC000294880789 131867809 /nfs/dbraw/zinc/86/78/09/131867809.db2.gz UTAGOCGROGQQLV-CQSZACIVSA-N 0 3 309.475 3.572 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(-n2cccn2)c1 ZINC000297581157 132024003 /nfs/dbraw/zinc/02/40/03/132024003.db2.gz HDJVVQYYAQPUBP-KDOFPFPSSA-N 0 3 319.408 3.916 20 10 DHCDHN Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccccc1[O-] ZINC000298443987 132062706 /nfs/dbraw/zinc/06/27/06/132062706.db2.gz NNXYNOUJMQSHLW-UHFFFAOYSA-N 0 3 313.426 3.577 20 10 DHCDHN COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000119638258 132134503 /nfs/dbraw/zinc/13/45/03/132134503.db2.gz ZPZAFFGSRQISAR-CHWSQXEVSA-N 0 3 301.386 3.821 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000176983364 332966865 /nfs/dbraw/zinc/96/68/65/332966865.db2.gz GLSQLUMJYUDWPG-RYUDHWBXSA-N 0 3 317.360 3.714 20 10 DHCDHN Cc1cc(CN[C@H](CCCO)c2ccccc2)ccc1N(C)C ZINC000293875430 335115475 /nfs/dbraw/zinc/11/54/75/335115475.db2.gz SYGXVKRNDFJQLX-LJQANCHMSA-N 0 3 312.457 3.664 20 10 DHCDHN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719150 333143000 /nfs/dbraw/zinc/14/30/00/333143000.db2.gz ARKYVSVACXWMGV-FZKQIMNGSA-N 0 3 300.450 3.596 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(F)ccc1[O-] ZINC000185262378 333206493 /nfs/dbraw/zinc/20/64/93/333206493.db2.gz LPXLCTSABLXJGK-LBPRGKRZSA-N 0 3 316.376 3.566 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000294804124 335127840 /nfs/dbraw/zinc/12/78/40/335127840.db2.gz PEAXCWXKQOYEAY-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN C[C@H](CCCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294817335 335127917 /nfs/dbraw/zinc/12/79/17/335127917.db2.gz QEMFVTIPXANOOU-APWZRJJASA-N 0 3 313.441 3.817 20 10 DHCDHN COc1cccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000295029772 335129764 /nfs/dbraw/zinc/12/97/64/335129764.db2.gz NTSZSHSICZKLEK-CMPLNLGQSA-N 0 3 303.324 3.564 20 10 DHCDHN COc1ccc(O)c(CN[C@@H](C)c2ccccc2SC)c1 ZINC000194924622 333317780 /nfs/dbraw/zinc/31/77/80/333317780.db2.gz UAMLZHWBTMZZNE-LBPRGKRZSA-N 0 3 303.427 3.974 20 10 DHCDHN Cc1cc(O)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000296096008 335141413 /nfs/dbraw/zinc/14/14/13/335141413.db2.gz RMUWIMFAHPISIF-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297131659 335148897 /nfs/dbraw/zinc/14/88/97/335148897.db2.gz YZZVZAIBDZTFDP-JCGIZDLHSA-N 0 3 311.425 3.524 20 10 DHCDHN Cc1ccc([O-])c(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000271205668 334020119 /nfs/dbraw/zinc/02/01/19/334020119.db2.gz YAXIGLJTTQKRDC-UHFFFAOYSA-N 0 3 315.417 3.587 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000369652112 336869116 /nfs/dbraw/zinc/86/91/16/336869116.db2.gz BZGNXBDQBZSKCZ-IRXDYDNUSA-N 0 3 310.441 3.959 20 10 DHCDHN Cc1cc(C=C2CCN(Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000371980396 336918312 /nfs/dbraw/zinc/91/83/12/336918312.db2.gz QZIZKFMKQQBZFA-UHFFFAOYSA-N 0 3 312.413 3.985 20 10 DHCDHN CN1Cc2ccccc2[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1 ZINC000374335657 336987457 /nfs/dbraw/zinc/98/74/57/336987457.db2.gz ZWTRIQNEEQXJMH-HXUWFJFHSA-N 0 3 318.420 3.822 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450756 337011375 /nfs/dbraw/zinc/01/13/75/337011375.db2.gz DEHSVIHZBGBWNE-ZBFHGGJFSA-N 0 3 313.445 3.686 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1F ZINC000375862863 337021725 /nfs/dbraw/zinc/02/17/25/337021725.db2.gz UMMREYLOMZFTAT-INIZCTEOSA-N 0 3 316.424 3.562 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000376363497 337031981 /nfs/dbraw/zinc/03/19/81/337031981.db2.gz AJOJFNAIPQHLJX-UHFFFAOYSA-N 0 3 308.356 3.883 20 10 DHCDHN CCOc1cccc(CN(C)[C@H]2CCCc3cccnc32)c1O ZINC000377244482 337049219 /nfs/dbraw/zinc/04/92/19/337049219.db2.gz LQRSAIGCMFXNTP-INIZCTEOSA-N 0 3 312.413 3.695 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000377695791 337058699 /nfs/dbraw/zinc/05/86/99/337058699.db2.gz IJNLBZSDBITIPL-JQHSSLGASA-N 0 3 315.388 3.790 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000377695791 337058700 /nfs/dbraw/zinc/05/87/00/337058700.db2.gz IJNLBZSDBITIPL-JQHSSLGASA-N 0 3 315.388 3.790 20 10 DHCDHN C[C@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1[O-] ZINC000378633413 337077179 /nfs/dbraw/zinc/07/71/79/337077179.db2.gz MZISYZLMVAUSIS-AWEZNQCLSA-N 0 3 316.470 3.769 20 10 DHCDHN COc1cccc(C[NH2+]C[C@H]2C[C@@]2(C)c2cccs2)c1[O-] ZINC000360091362 337085105 /nfs/dbraw/zinc/08/51/05/337085105.db2.gz CHRGRESGAMAIFT-CXAGYDPISA-N 0 3 303.427 3.530 20 10 DHCDHN Cc1csc(C2CC[NH+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000179961951 337172877 /nfs/dbraw/zinc/17/28/77/337172877.db2.gz RMTVDAIPYFBBDO-UHFFFAOYSA-N 0 3 302.443 3.845 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(F)ccc1[O-] ZINC000185125677 337203295 /nfs/dbraw/zinc/20/32/95/337203295.db2.gz DSBURKFSBQRAAM-CYBMUJFWSA-N 0 3 311.360 3.568 20 10 DHCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCc3cc(Cl)ccc31)OCO2 ZINC000238137868 341226836 /nfs/dbraw/zinc/22/68/36/341226836.db2.gz USWXWSWPHMCJSD-CQSZACIVSA-N 0 3 317.772 3.551 20 10 DHCDHN CC(C)Oc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000160050243 519779873 /nfs/dbraw/zinc/77/98/73/519779873.db2.gz VTMPDGCUXXTZLG-OAHLLOKOSA-N 0 3 313.445 3.786 20 10 DHCDHN COc1cc(CN(Cc2cc(C)ccc2O)C2CC2)ccc1O ZINC000191510130 522359723 /nfs/dbraw/zinc/35/97/23/522359723.db2.gz JTDHCQHJJHOMJS-UHFFFAOYSA-N 0 3 313.397 3.579 20 10 DHCDHN CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000156869648 522574282 /nfs/dbraw/zinc/57/42/82/522574282.db2.gz BSAXQIKKQLFULX-HKUYNNGSSA-N 0 3 311.425 3.947 20 10 DHCDHN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1O ZINC000121081168 522641227 /nfs/dbraw/zinc/64/12/27/522641227.db2.gz QHNXXORSNJUCQZ-HNNXBMFYSA-N 0 3 316.357 3.550 20 10 DHCDHN COc1cc(O)c(CN(C)[C@@H](C)c2cccs2)cc1OC ZINC000159874804 522772063 /nfs/dbraw/zinc/77/20/63/522772063.db2.gz UGPPFWLXQYWFJR-NSHDSACASA-N 0 3 307.415 3.664 20 10 DHCDHN COc1ccc(O)c(CN(C)[C@H](C)c2sc(C)nc2C)c1 ZINC000180154057 524733961 /nfs/dbraw/zinc/73/39/61/524733961.db2.gz GMQJVKVEWLFQHT-LLVKDONJSA-N 0 3 306.431 3.667 20 10 DHCDHN COc1ccc(O)c(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000182413591 524749056 /nfs/dbraw/zinc/74/90/56/524749056.db2.gz NBYUAYWLFUQFOW-UHFFFAOYSA-N 0 3 303.789 3.833 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000186129238 524773960 /nfs/dbraw/zinc/77/39/60/524773960.db2.gz HRANTTVWOGNSJJ-UONOGXRCSA-N 0 3 305.418 3.543 20 10 DHCDHN Cc1cc([O-])c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1C ZINC000365040475 525314733 /nfs/dbraw/zinc/31/47/33/525314733.db2.gz LYQWJKSWTPOEHR-UHFFFAOYSA-N 0 3 319.836 3.696 20 10 DHCDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000157573877 525434134 /nfs/dbraw/zinc/43/41/34/525434134.db2.gz PLAYIACFMNWRGF-INIZCTEOSA-N 0 3 320.440 3.789 20 10 DHCDHN C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(N(C)C)cc1 ZINC000131400620 525546187 /nfs/dbraw/zinc/54/61/87/525546187.db2.gz DBLZFATXZVQNTL-MRXNPFEDSA-N 0 3 324.472 3.599 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000180204347 526349421 /nfs/dbraw/zinc/34/94/21/526349421.db2.gz MZCJELAOVYPMKF-INIZCTEOSA-N 0 3 315.388 3.570 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000180204347 526349425 /nfs/dbraw/zinc/34/94/25/526349425.db2.gz MZCJELAOVYPMKF-INIZCTEOSA-N 0 3 315.388 3.570 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102393257 526356551 /nfs/dbraw/zinc/35/65/51/526356551.db2.gz QUBXIHOFEANHFZ-MRXNPFEDSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102393257 526356562 /nfs/dbraw/zinc/35/65/62/526356562.db2.gz QUBXIHOFEANHFZ-MRXNPFEDSA-N 0 3 307.397 3.579 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1[O-] ZINC000274941669 535808608 /nfs/dbraw/zinc/80/86/08/535808608.db2.gz SZQLSQMNOLJBOP-CXAGYDPISA-N 0 3 324.424 3.713 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000272881236 535943311 /nfs/dbraw/zinc/94/33/11/535943311.db2.gz QNYWVCHVPKHJEL-PSZVPEGOSA-N 0 3 321.367 3.833 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)cc1O ZINC000273608605 536896492 /nfs/dbraw/zinc/89/64/92/536896492.db2.gz UZYCJPUOTGXUHT-ZDUSSCGKSA-N 0 3 301.386 3.574 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1ccccc1[O-] ZINC000155237300 1013316497 /nfs/dbraw/zinc/31/64/97/1013316497.db2.gz ULNDUROCZORQRY-KRWDZBQOSA-N 0 3 322.412 3.522 20 10 DHCDHN Cc1ncsc1CNCc1ccc(N2CCCCC2)cc1 ZINC000071212608 1013835804 /nfs/dbraw/zinc/83/58/04/1013835804.db2.gz RUEAYTXTYRAMJA-UHFFFAOYSA-N 0 3 301.459 3.732 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000070976339 1014079712 /nfs/dbraw/zinc/07/97/12/1014079712.db2.gz FWHQBVAVKGMZGT-SFHVURJKSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000070976339 1014079717 /nfs/dbraw/zinc/07/97/17/1014079717.db2.gz FWHQBVAVKGMZGT-SFHVURJKSA-N 0 3 315.388 3.713 20 10 DHCDHN Oc1ccccc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000070976339 1014079718 /nfs/dbraw/zinc/07/97/18/1014079718.db2.gz FWHQBVAVKGMZGT-SFHVURJKSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000070976341 1014079915 /nfs/dbraw/zinc/07/99/15/1014079915.db2.gz FWHQBVAVKGMZGT-GOSISDBHSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000070976341 1014079919 /nfs/dbraw/zinc/07/99/19/1014079919.db2.gz FWHQBVAVKGMZGT-GOSISDBHSA-N 0 3 315.388 3.713 20 10 DHCDHN Oc1ccccc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000070976341 1014079923 /nfs/dbraw/zinc/07/99/23/1014079923.db2.gz FWHQBVAVKGMZGT-GOSISDBHSA-N 0 3 315.388 3.713 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)c1[O-] ZINC000808702261 1026374646 /nfs/dbraw/zinc/37/46/46/1026374646.db2.gz URDAVAWXYLCULP-ZYHUDNBSSA-N 0 3 317.907 3.853 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC(F)(F)C2)c1[O-] ZINC000760036342 1014243908 /nfs/dbraw/zinc/24/39/08/1014243908.db2.gz GHWDRVKZOTXTEX-MRVPVSSYSA-N 0 3 320.177 3.911 20 10 DHCDHN COc1cccc(CNCc2ccccc2OCC(C)C)c1O ZINC000237225137 1014420480 /nfs/dbraw/zinc/42/04/80/1014420480.db2.gz ZPUKRHWBPIWASF-UHFFFAOYSA-N 0 3 315.413 3.725 20 10 DHCDHN Cc1csc(C[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000895824265 1015319833 /nfs/dbraw/zinc/31/98/33/1015319833.db2.gz YTXURCHXZMWJHB-AWEZNQCLSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000895824265 1015319842 /nfs/dbraw/zinc/31/98/42/1015319842.db2.gz YTXURCHXZMWJHB-AWEZNQCLSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000399575837 1016167765 /nfs/dbraw/zinc/16/77/65/1016167765.db2.gz HWNRMLLLBUYZHS-TUAOUCFPSA-N 0 3 312.251 3.939 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000399575837 1016167766 /nfs/dbraw/zinc/16/77/66/1016167766.db2.gz HWNRMLLLBUYZHS-TUAOUCFPSA-N 0 3 312.251 3.939 20 10 DHCDHN CC(=O)C1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000846939978 1032144424 /nfs/dbraw/zinc/14/44/24/1032144424.db2.gz ICLTWZGUADODJA-UHFFFAOYSA-N 0 3 314.473 3.786 20 10 DHCDHN Cc1cccc(CN2CCN([C@H](C)c3ccsc3)CC2)c1O ZINC000184971461 1016468546 /nfs/dbraw/zinc/46/85/46/1016468546.db2.gz FHJLIYZLRQJFTL-OAHLLOKOSA-N 0 3 316.470 3.641 20 10 DHCDHN Cc1ccc(O)c(CN2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000184971349 1016469560 /nfs/dbraw/zinc/46/95/60/1016469560.db2.gz MUANDYIBPRZRLU-HNNXBMFYSA-N 0 3 316.470 3.641 20 10 DHCDHN COc1ccc(CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185095166 1016546656 /nfs/dbraw/zinc/54/66/56/1016546656.db2.gz NZIVWIOGIQLPJL-ZDUSSCGKSA-N 0 3 303.377 3.823 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c([O-])c1 ZINC000185233802 1016777415 /nfs/dbraw/zinc/77/74/15/1016777415.db2.gz KXTPIQOBAOIUEI-HNNXBMFYSA-N 0 3 310.441 3.934 20 10 DHCDHN C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000840775490 1016955594 /nfs/dbraw/zinc/95/55/94/1016955594.db2.gz PWWPZTORNKUMPF-KBPBESRZSA-N 0 3 302.393 3.988 20 10 DHCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185580289 1017029055 /nfs/dbraw/zinc/02/90/55/1017029055.db2.gz MIKCYWFQCVSOAJ-LSDHHAIUSA-N 0 3 315.413 3.827 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000840880208 1017301031 /nfs/dbraw/zinc/30/10/31/1017301031.db2.gz JHSHYCBEAAWSFE-QAPCUYQASA-N 0 3 317.404 3.657 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2sccc2C)cc1 ZINC000773043531 1032537351 /nfs/dbraw/zinc/53/73/51/1032537351.db2.gz CPXUYKJDWYZLQP-PBHICJAKSA-N 0 3 318.486 3.897 20 10 DHCDHN Oc1ccccc1CN(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000160204737 1012017633 /nfs/dbraw/zinc/01/76/33/1012017633.db2.gz APKQJPKOPYCWFL-INIZCTEOSA-N 0 3 303.427 3.635 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000122471654 1032609009 /nfs/dbraw/zinc/60/90/09/1032609009.db2.gz HSSYWPVJPIEWPM-GFCCVEGCSA-N 0 3 317.364 3.651 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916521 1017226728 /nfs/dbraw/zinc/22/67/28/1017226728.db2.gz MPIHYGWXOUNNGR-IAGOWNOFSA-N 0 3 314.429 3.863 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccccc1[O-] ZINC000716287109 1032691515 /nfs/dbraw/zinc/69/15/15/1032691515.db2.gz CTVDQSJOAMZWDR-MJGOQNOKSA-N 0 3 310.441 3.707 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926911091 1032698896 /nfs/dbraw/zinc/69/88/96/1032698896.db2.gz LIXFFVYNRGUECE-COPLHBTASA-N 0 3 303.324 3.543 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171497825 1032736973 /nfs/dbraw/zinc/73/69/73/1032736973.db2.gz WTQYSAXOWLQJOY-OAHLLOKOSA-N 0 3 315.363 3.586 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171497825 1032736981 /nfs/dbraw/zinc/73/69/81/1032736981.db2.gz WTQYSAXOWLQJOY-OAHLLOKOSA-N 0 3 315.363 3.586 20 10 DHCDHN CCC[N@H+](Cc1cccc2nsnc21)Cc1ccccc1[O-] ZINC000766081703 1018186981 /nfs/dbraw/zinc/18/69/81/1018186981.db2.gz PGBIQBFZQVHQFE-UHFFFAOYSA-N 0 3 313.426 3.809 20 10 DHCDHN CCC[N@@H+](Cc1cccc2nsnc21)Cc1ccccc1[O-] ZINC000766081703 1018186986 /nfs/dbraw/zinc/18/69/86/1018186986.db2.gz PGBIQBFZQVHQFE-UHFFFAOYSA-N 0 3 313.426 3.809 20 10 DHCDHN COc1cccc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)c1O ZINC000124941227 1018226222 /nfs/dbraw/zinc/22/62/22/1018226222.db2.gz NWVGNHIASRFCDM-NSHDSACASA-N 0 3 307.340 3.872 20 10 DHCDHN Cc1nccn1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263707746 1032759413 /nfs/dbraw/zinc/75/94/13/1032759413.db2.gz SVDLFRSYGBAZTD-UHFFFAOYSA-N 0 3 321.424 3.744 20 10 DHCDHN CC[C@@H](CC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC000858157544 1032787070 /nfs/dbraw/zinc/78/70/70/1032787070.db2.gz ZHERWYZPKUUHGB-JTQLQIEISA-N 0 3 310.310 3.851 20 10 DHCDHN Cc1cc(CNCc2cnc3n2CCC3)c(C)n1-c1ccccc1 ZINC000858294084 1032832080 /nfs/dbraw/zinc/83/20/80/1032832080.db2.gz DGMSJMIDTKKTDE-UHFFFAOYSA-N 0 3 320.440 3.527 20 10 DHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001171733328 1032851538 /nfs/dbraw/zinc/85/15/38/1032851538.db2.gz QUBLQUXQRGDIBP-NUJGCVRESA-N 0 3 310.441 3.706 20 10 DHCDHN c1csc(SCCCN[C@H]2CCCc3scnc32)n1 ZINC000858365156 1032863754 /nfs/dbraw/zinc/86/37/54/1032863754.db2.gz KKTGDGKMIUQZSU-JTQLQIEISA-N 0 3 311.501 3.749 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000186325930 1020241433 /nfs/dbraw/zinc/24/14/33/1020241433.db2.gz BIVVVKWCZQYEJN-NJSLBKSFSA-N 0 3 316.420 3.873 20 10 DHCDHN CCCCN1CCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000733327930 1020374239 /nfs/dbraw/zinc/37/42/39/1020374239.db2.gz HGSDGFZPZSVCLH-CQSZACIVSA-N 0 3 310.869 3.790 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000765819662 1020391881 /nfs/dbraw/zinc/39/18/81/1020391881.db2.gz VOHQHAMSAMMTMB-IFXMJZAHSA-N 0 3 305.393 3.627 20 10 DHCDHN CCN(CC)[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725844975 1020659122 /nfs/dbraw/zinc/65/91/22/1020659122.db2.gz DSTMFAVKFSWCQK-MRXNPFEDSA-N 0 3 312.457 3.879 20 10 DHCDHN CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000858496870 1032923558 /nfs/dbraw/zinc/92/35/58/1032923558.db2.gz WAYWOLZWUFDRGU-AWEZNQCLSA-N 0 3 312.413 3.534 20 10 DHCDHN CCOc1cccc(CN[C@@H]2CSc3ccccc32)c1O ZINC000735508517 1020741577 /nfs/dbraw/zinc/74/15/77/1020741577.db2.gz CHRBFFPNWLUNDY-CQSZACIVSA-N 0 3 301.411 3.728 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2c1 ZINC000735666157 1020760838 /nfs/dbraw/zinc/76/08/38/1020760838.db2.gz CKTTUUVPZARGPG-STQMWFEESA-N 0 3 317.454 3.880 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2c1 ZINC000735666157 1020760845 /nfs/dbraw/zinc/76/08/45/1020760845.db2.gz CKTTUUVPZARGPG-STQMWFEESA-N 0 3 317.454 3.880 20 10 DHCDHN CCOc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)c([O-])c1 ZINC000736647080 1020824831 /nfs/dbraw/zinc/82/48/31/1020824831.db2.gz DSTFYJHNEUAFRW-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000740859205 1020954346 /nfs/dbraw/zinc/95/43/46/1020954346.db2.gz JHRQIDJWSYWAEU-STQMWFEESA-N 0 3 313.397 3.562 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000740859205 1020954349 /nfs/dbraw/zinc/95/43/49/1020954349.db2.gz JHRQIDJWSYWAEU-STQMWFEESA-N 0 3 313.397 3.562 20 10 DHCDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@H]2CCO[C@H]21 ZINC000741255128 1020994788 /nfs/dbraw/zinc/99/47/88/1020994788.db2.gz GCCDRMGVOVAKLE-MISYRCLQSA-N 0 3 323.436 3.962 20 10 DHCDHN C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000742371362 1021113289 /nfs/dbraw/zinc/11/32/89/1021113289.db2.gz SJAOVSXLSLNENN-XOKHGSTOSA-N 0 3 322.880 3.788 20 10 DHCDHN Cc1cc(O)c(CN2CCO[C@@H]3CCCC[C@@H]32)cc1C(C)C ZINC000917473489 1021271803 /nfs/dbraw/zinc/27/18/03/1021271803.db2.gz PWYUFVYPDXKFAE-PKOBYXMFSA-N 0 3 303.446 3.967 20 10 DHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCS1 ZINC000743400698 1021282929 /nfs/dbraw/zinc/28/29/29/1021282929.db2.gz QUWQPTCRPGFOHU-HNNXBMFYSA-N 0 3 317.454 3.881 20 10 DHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCS1 ZINC000743400698 1021282939 /nfs/dbraw/zinc/28/29/39/1021282939.db2.gz QUWQPTCRPGFOHU-HNNXBMFYSA-N 0 3 317.454 3.881 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850481315 1021556546 /nfs/dbraw/zinc/55/65/46/1021556546.db2.gz JGBHHLWVVSAFFT-DYEKYZERSA-N 0 3 306.425 3.542 20 10 DHCDHN COC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1 ZINC000850514644 1021571585 /nfs/dbraw/zinc/57/15/85/1021571585.db2.gz ONAQCXPKDPIHGX-SJKOYZFVSA-N 0 3 319.376 3.578 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000850526392 1021580487 /nfs/dbraw/zinc/58/04/87/1021580487.db2.gz BRZNSRNOIGXBNA-SWRJLBSHSA-N 0 3 313.372 3.848 20 10 DHCDHN CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(C)cc1[O-] ZINC000850533378 1021587791 /nfs/dbraw/zinc/58/77/91/1021587791.db2.gz WWFYCIVYFZEIEO-BMFZPTHFSA-N 0 3 311.372 3.556 20 10 DHCDHN C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538909 1021592461 /nfs/dbraw/zinc/59/24/61/1021592461.db2.gz ODTRKGKTKIDVHE-JSGCOSHPSA-N 0 3 324.415 3.728 20 10 DHCDHN C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538909 1021592485 /nfs/dbraw/zinc/59/24/85/1021592485.db2.gz ODTRKGKTKIDVHE-JSGCOSHPSA-N 0 3 324.415 3.728 20 10 DHCDHN C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1[O-] ZINC000109773624 1021746852 /nfs/dbraw/zinc/74/68/52/1021746852.db2.gz WXLBRDCEORSFMK-UHFFFAOYSA-N 0 3 318.804 3.506 20 10 DHCDHN C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1[O-] ZINC000109773624 1021746864 /nfs/dbraw/zinc/74/68/64/1021746864.db2.gz WXLBRDCEORSFMK-UHFFFAOYSA-N 0 3 318.804 3.506 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000752264870 1022045532 /nfs/dbraw/zinc/04/55/32/1022045532.db2.gz GDIXZZOXJPQQBU-VXGBXAGGSA-N 0 3 317.351 3.859 20 10 DHCDHN Cc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1Cl ZINC000852837054 1022181329 /nfs/dbraw/zinc/18/13/29/1022181329.db2.gz PDXJKHHHXYJKJU-UHFFFAOYSA-N 0 3 314.816 3.571 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000183556741 1022190361 /nfs/dbraw/zinc/19/03/61/1022190361.db2.gz VNHAMSFLYVFHOV-MLGOLLRUSA-N 0 3 313.422 3.991 20 10 DHCDHN CCc1cc(NCc2cc(Cl)c3cccnc3c2[O-])cc[nH+]1 ZINC001168526551 1022210653 /nfs/dbraw/zinc/21/06/53/1022210653.db2.gz YIKLBSRTIKTDIZ-UHFFFAOYSA-N 0 3 313.788 3.585 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCc1ccncc1)Cc1ccco1 ZINC000111232771 1022253616 /nfs/dbraw/zinc/25/36/16/1022253616.db2.gz ULWNSQKCTZYGPZ-UHFFFAOYSA-N 0 3 308.381 3.625 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccncc1)Cc1ccco1 ZINC000111232771 1022253626 /nfs/dbraw/zinc/25/36/26/1022253626.db2.gz ULWNSQKCTZYGPZ-UHFFFAOYSA-N 0 3 308.381 3.625 20 10 DHCDHN COc1cc(C)cc(CN2CCOc3ccccc3[C@@H]2C)c1O ZINC000853628872 1022303166 /nfs/dbraw/zinc/30/31/66/1022303166.db2.gz DTUYQBAJBAKGTB-AWEZNQCLSA-N 0 3 313.397 3.665 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(F)ccc1[O-] ZINC000363882990 1022375968 /nfs/dbraw/zinc/37/59/68/1022375968.db2.gz GCHLWDCFELLIBQ-ZUZCIYMTSA-N 0 3 305.324 3.845 20 10 DHCDHN CCN(CC)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000185228283 1022467624 /nfs/dbraw/zinc/46/76/24/1022467624.db2.gz XVMRLGLVQARBMC-CJNGLKHVSA-N 0 3 320.408 3.858 20 10 DHCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cc1 ZINC000180027133 1022610819 /nfs/dbraw/zinc/61/08/19/1022610819.db2.gz OZLZYKMMOUHWGY-CQSZACIVSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cc1 ZINC000180027133 1022610828 /nfs/dbraw/zinc/61/08/28/1022610828.db2.gz OZLZYKMMOUHWGY-CQSZACIVSA-N 0 3 301.361 3.529 20 10 DHCDHN CCOc1ccc(O)c(CN(CCOC)Cc2cccs2)c1 ZINC000768197310 1022924948 /nfs/dbraw/zinc/92/49/48/1022924948.db2.gz JPUXKTXYTOIBFM-UHFFFAOYSA-N 0 3 321.442 3.501 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(CCO)CC1 ZINC000768236216 1022929367 /nfs/dbraw/zinc/92/93/67/1022929367.db2.gz BVAXEHJELDPDCE-UHFFFAOYSA-N 0 3 311.425 3.654 20 10 DHCDHN COc1cc([O-])c(C[N@H+](CC(C)C)C2CCCC2)cc1OC ZINC000768440248 1022967635 /nfs/dbraw/zinc/96/76/35/1022967635.db2.gz PNHYGWAZBAWFQN-UHFFFAOYSA-N 0 3 307.434 3.810 20 10 DHCDHN COc1cc([O-])c(C[N@@H+](CC(C)C)C2CCCC2)cc1OC ZINC000768440248 1022967643 /nfs/dbraw/zinc/96/76/43/1022967643.db2.gz PNHYGWAZBAWFQN-UHFFFAOYSA-N 0 3 307.434 3.810 20 10 DHCDHN CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464739 1022973584 /nfs/dbraw/zinc/97/35/84/1022973584.db2.gz TVBUPNFPPVOXCN-CRAIPNDOSA-N 0 3 319.445 3.609 20 10 DHCDHN CC(C)CC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464739 1022973591 /nfs/dbraw/zinc/97/35/91/1022973591.db2.gz TVBUPNFPPVOXCN-CRAIPNDOSA-N 0 3 319.445 3.609 20 10 DHCDHN CCOc1ccc(C[N@H+](C)CCCOc2ccccc2)c([O-])c1 ZINC000768826942 1023040548 /nfs/dbraw/zinc/04/05/48/1023040548.db2.gz QEOBRLYUCUPOLQ-UHFFFAOYSA-N 0 3 315.413 3.692 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)CCCOc2ccccc2)c([O-])c1 ZINC000768826942 1023040553 /nfs/dbraw/zinc/04/05/53/1023040553.db2.gz QEOBRLYUCUPOLQ-UHFFFAOYSA-N 0 3 315.413 3.692 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000768913005 1023055205 /nfs/dbraw/zinc/05/52/05/1023055205.db2.gz PNBAOELGKURENL-MRXNPFEDSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000768913005 1023055213 /nfs/dbraw/zinc/05/52/13/1023055213.db2.gz PNBAOELGKURENL-MRXNPFEDSA-N 0 3 315.388 3.747 20 10 DHCDHN CCc1ccc(CN2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000768997213 1023075362 /nfs/dbraw/zinc/07/53/62/1023075362.db2.gz AYVODBKSXWZSTR-UHFFFAOYSA-N 0 3 314.429 3.563 20 10 DHCDHN CC[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363706 1023089598 /nfs/dbraw/zinc/08/95/98/1023089598.db2.gz OBEWZDVNMOMVNV-UYAOXDASSA-N 0 3 321.424 3.956 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769559525 1023180145 /nfs/dbraw/zinc/18/01/45/1023180145.db2.gz NCQRFLSIZWVYEY-LLVKDONJSA-N 0 3 307.315 3.799 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769559525 1023180149 /nfs/dbraw/zinc/18/01/49/1023180149.db2.gz NCQRFLSIZWVYEY-LLVKDONJSA-N 0 3 307.315 3.799 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1c(C)nn(C)c1C ZINC000756614881 1023196852 /nfs/dbraw/zinc/19/68/52/1023196852.db2.gz BSAXVUDBEXTETJ-ZUZCIYMTSA-N 0 3 305.397 3.684 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCO[C@@H]1CCCCO1)C1CCCC1 ZINC000769726162 1023201422 /nfs/dbraw/zinc/20/14/22/1023201422.db2.gz RRGFYRHIQABZTJ-LJQANCHMSA-N 0 3 319.445 3.680 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCO[C@@H]1CCCCO1)C1CCCC1 ZINC000769726162 1023201426 /nfs/dbraw/zinc/20/14/26/1023201426.db2.gz RRGFYRHIQABZTJ-LJQANCHMSA-N 0 3 319.445 3.680 20 10 DHCDHN Cc1ccc(C)c([C@H]2CN(Cc3ccccc3O)[C@H](C)CO2)c1 ZINC000770506158 1023316169 /nfs/dbraw/zinc/31/61/69/1023316169.db2.gz VTTXOYCJTWBZPQ-OXQOHEQNSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1ccc(C)c([C@@H]2CN(Cc3ccccc3O)[C@H](C)CO2)c1 ZINC000770506159 1023316975 /nfs/dbraw/zinc/31/69/75/1023316975.db2.gz VTTXOYCJTWBZPQ-UZLBHIALSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1cccc(O)c1CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000876778918 1033142002 /nfs/dbraw/zinc/14/20/02/1033142002.db2.gz RZBNAXDDRIIHML-DYVFJYSZSA-N 0 3 303.427 3.724 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(F)ccc1[O-] ZINC000756779548 1023797747 /nfs/dbraw/zinc/79/77/47/1023797747.db2.gz SDHBDIPYYXJXDY-ZEQHWRKHSA-N 0 3 313.463 3.562 20 10 DHCDHN C=Cn1cc(CNCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000194302944 1023995575 /nfs/dbraw/zinc/99/55/75/1023995575.db2.gz HBITXDXAVKAZQM-UHFFFAOYSA-N 0 3 310.445 3.510 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000268235258 1024089302 /nfs/dbraw/zinc/08/93/02/1024089302.db2.gz GMIHXNGJCOKWJS-RHDGDCLCSA-N 0 3 311.425 3.700 20 10 DHCDHN CCN(Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(N(C)C)cc1 ZINC000789724590 1024155942 /nfs/dbraw/zinc/15/59/42/1024155942.db2.gz VKIOSIQJVFUMIX-UHFFFAOYSA-N 0 3 324.428 3.758 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000268774815 1024158480 /nfs/dbraw/zinc/15/84/80/1024158480.db2.gz AUYMUBKJXFDAHS-AWEZNQCLSA-N 0 3 312.461 3.790 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CCSC(C)(C)CC2)c1[O-] ZINC000789763948 1024158842 /nfs/dbraw/zinc/15/88/42/1024158842.db2.gz SEAUIEHHNJUTFT-UHFFFAOYSA-N 0 3 315.866 3.772 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CCSC(C)(C)CC2)c1[O-] ZINC000789763948 1024158846 /nfs/dbraw/zinc/15/88/46/1024158846.db2.gz SEAUIEHHNJUTFT-UHFFFAOYSA-N 0 3 315.866 3.772 20 10 DHCDHN CCOc1cccc(CN(C)Cc2ccc(F)c(F)c2)c1O ZINC000130457957 1024166957 /nfs/dbraw/zinc/16/69/57/1024166957.db2.gz XJFXZXRAGQCGAL-UHFFFAOYSA-N 0 3 307.340 3.701 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388075 1024422575 /nfs/dbraw/zinc/42/25/75/1024422575.db2.gz LRJRXAUCWFUSHE-ZWKOTPCHSA-N 0 3 319.408 3.607 20 10 DHCDHN CC[C@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccccc1[O-] ZINC000271681641 1024561060 /nfs/dbraw/zinc/56/10/60/1024561060.db2.gz ILWDVZAMTJTMBI-AWEZNQCLSA-N 0 3 306.793 3.690 20 10 DHCDHN COc1cc(Cl)cc(C[NH+]2CCc3ccccc3CC2)c1[O-] ZINC000317808267 1024643081 /nfs/dbraw/zinc/64/30/81/1024643081.db2.gz GHZPSAPEZYLEQF-UHFFFAOYSA-N 0 3 317.816 3.655 20 10 DHCDHN C[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1[O-] ZINC000109769435 1024695710 /nfs/dbraw/zinc/69/57/10/1024695710.db2.gz WIKODEZURXAGBN-UHFFFAOYSA-N 0 3 323.396 3.507 20 10 DHCDHN C[N@@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1[O-] ZINC000109769435 1024695717 /nfs/dbraw/zinc/69/57/17/1024695717.db2.gz WIKODEZURXAGBN-UHFFFAOYSA-N 0 3 323.396 3.507 20 10 DHCDHN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000079723876 1024717301 /nfs/dbraw/zinc/71/73/01/1024717301.db2.gz SVFWWAQVRKHCLW-CYBMUJFWSA-N 0 3 300.358 3.763 20 10 DHCDHN CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133713519 1024767995 /nfs/dbraw/zinc/76/79/95/1024767995.db2.gz BVSIHUKQWMVJOS-UGSOOPFHSA-N 0 3 314.477 3.905 20 10 DHCDHN CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000133713941 1024768811 /nfs/dbraw/zinc/76/88/11/1024768811.db2.gz BVSIHUKQWMVJOS-ACJLOTCBSA-N 0 3 314.477 3.905 20 10 DHCDHN C[C@H]([NH2+]CCCN1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000321330730 1024821655 /nfs/dbraw/zinc/82/16/55/1024821655.db2.gz CIWWPJSMDWTVIL-AWEZNQCLSA-N 0 3 314.404 3.635 20 10 DHCDHN Cc1cncc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000793032236 1024864628 /nfs/dbraw/zinc/86/46/28/1024864628.db2.gz VXYDPNQWRKKNMZ-UHFFFAOYSA-N 0 3 323.362 3.765 20 10 DHCDHN COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000747100432 1024884655 /nfs/dbraw/zinc/88/46/55/1024884655.db2.gz ZCMYZCKQXGPHSB-ZIAGYGMSSA-N 0 3 315.413 3.691 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000877119214 1033243308 /nfs/dbraw/zinc/24/33/08/1033243308.db2.gz VBXOUUHXRNQAQP-APWZRJJASA-N 0 3 311.425 3.958 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000793230074 1024943432 /nfs/dbraw/zinc/94/34/32/1024943432.db2.gz DXPOFWQOCXJKTC-GWCFXTLKSA-N 0 3 303.324 3.564 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000793230074 1024943442 /nfs/dbraw/zinc/94/34/42/1024943442.db2.gz DXPOFWQOCXJKTC-GWCFXTLKSA-N 0 3 303.324 3.564 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793267221 1024967079 /nfs/dbraw/zinc/96/70/79/1024967079.db2.gz AQBYLKZNWCVSSD-ZBFHGGJFSA-N 0 3 315.388 3.966 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793267169 1024968508 /nfs/dbraw/zinc/96/85/08/1024968508.db2.gz AQBYLKZNWCVSSD-GDBMZVCRSA-N 0 3 315.388 3.966 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279563539 1025074551 /nfs/dbraw/zinc/07/45/51/1025074551.db2.gz SDXQJECPEVBPGH-HWPZZCPQSA-N 0 3 309.768 3.569 20 10 DHCDHN Cc1ccc([C@H](C[NH2+]Cc2c(C)cccc2[O-])N2CCCC2)o1 ZINC000877146896 1033259441 /nfs/dbraw/zinc/25/94/41/1033259441.db2.gz LXBRKORPONOMLZ-KRWDZBQOSA-N 0 3 314.429 3.529 20 10 DHCDHN Cc1cc(C[NH2+]Cc2ccccc2[O-])ccc1Br ZINC000135475553 1025234411 /nfs/dbraw/zinc/23/44/11/1025234411.db2.gz PRCHVHYGIDDGQF-UHFFFAOYSA-N 0 3 306.203 3.753 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000236850603 1025428335 /nfs/dbraw/zinc/42/83/35/1025428335.db2.gz KWWBVZHCHCYZDN-LLVKDONJSA-N 0 3 307.340 3.920 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1cnc2cccc(C)n12 ZINC000355131870 1025612833 /nfs/dbraw/zinc/61/28/33/1025612833.db2.gz MVQIXSMWZGRWGI-UHFFFAOYSA-N 0 3 318.424 3.733 20 10 DHCDHN CCC[N@H+](Cc1cnc2onc(C)c2c1)Cc1ccccc1[O-] ZINC000893984665 1025644038 /nfs/dbraw/zinc/64/40/38/1025644038.db2.gz RZSNDQNRHDHJST-UHFFFAOYSA-N 0 3 311.385 3.649 20 10 DHCDHN CCC[N@@H+](Cc1cnc2onc(C)c2c1)Cc1ccccc1[O-] ZINC000893984665 1025644049 /nfs/dbraw/zinc/64/40/49/1025644049.db2.gz RZSNDQNRHDHJST-UHFFFAOYSA-N 0 3 311.385 3.649 20 10 DHCDHN COc1cccc(CNC2(c3cccc(Cl)c3)CC2)c1O ZINC000077467857 1025900033 /nfs/dbraw/zinc/90/00/33/1025900033.db2.gz LZATXWPDQXDFOS-UHFFFAOYSA-N 0 3 303.789 3.833 20 10 DHCDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000089513338 1026054722 /nfs/dbraw/zinc/05/47/22/1026054722.db2.gz ZODDRJZAKULLCI-GOSISDBHSA-N 0 3 313.401 3.902 20 10 DHCDHN COc1cc(C)cc(CN[C@H]2COc3c2ccc(C)c3C)c1O ZINC000894136668 1026116440 /nfs/dbraw/zinc/11/64/40/1026116440.db2.gz ANFSWAMGLMAWIC-INIZCTEOSA-N 0 3 313.397 3.549 20 10 DHCDHN CCCOc1ccc(C[N@H+](C)CCc2ncc(C)s2)c([O-])c1 ZINC000093807321 1026128987 /nfs/dbraw/zinc/12/89/87/1026128987.db2.gz PEAMBIYSDOIOML-UHFFFAOYSA-N 0 3 320.458 3.620 20 10 DHCDHN CCCOc1ccc(C[N@@H+](C)CCc2ncc(C)s2)c([O-])c1 ZINC000093807321 1026128997 /nfs/dbraw/zinc/12/89/97/1026128997.db2.gz PEAMBIYSDOIOML-UHFFFAOYSA-N 0 3 320.458 3.620 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCC(F)(F)F)c1[O-] ZINC000808682865 1026347819 /nfs/dbraw/zinc/34/78/19/1026347819.db2.gz XNRMISAHWDQZNL-SECBINFHSA-N 0 3 311.731 3.584 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)c1[O-] ZINC000808692938 1026350477 /nfs/dbraw/zinc/35/04/77/1026350477.db2.gz XBUPNBJCXASGDS-WBMJQRKESA-N 0 3 311.853 3.946 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000808672834 1026353927 /nfs/dbraw/zinc/35/39/27/1026353927.db2.gz SDHDRLGEYFQMLZ-WFASDCNBSA-N 0 3 322.836 3.901 20 10 DHCDHN COc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])ccn1 ZINC000808674102 1026354761 /nfs/dbraw/zinc/35/47/61/1026354761.db2.gz ACRXKYHMZCOUNT-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1[O-] ZINC000808678045 1026356176 /nfs/dbraw/zinc/35/61/76/1026356176.db2.gz IXYZJYBYURRDAM-ZIAGYGMSSA-N 0 3 310.869 3.879 20 10 DHCDHN CC[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1[O-] ZINC000808727757 1026357479 /nfs/dbraw/zinc/35/74/79/1026357479.db2.gz JMMRHXFOJDIUEH-WBVHZDCISA-N 0 3 315.388 3.884 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc32)c2c1c(F)ccc2[O-] ZINC000808727779 1026359094 /nfs/dbraw/zinc/35/90/94/1026359094.db2.gz LUUVDAPIEMZDCX-XUJVJEKNSA-N 0 3 313.372 3.845 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c1[O-] ZINC000808695957 1026374159 /nfs/dbraw/zinc/37/41/59/1026374159.db2.gz QIDOURYFHOFSRH-PRWKNARSSA-N 0 3 317.882 3.552 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280099242 1026593131 /nfs/dbraw/zinc/59/31/31/1026593131.db2.gz MYTMSLWYHQGEJK-MJGOQNOKSA-N 0 3 313.441 3.908 20 10 DHCDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000809764948 1026619948 /nfs/dbraw/zinc/61/99/48/1026619948.db2.gz JUHLDRNRJNSKKS-KRWDZBQOSA-N 0 3 301.409 3.870 20 10 DHCDHN CCOc1ccc(C[N@H+](CC)[C@H](C)c2cccnc2)c([O-])c1 ZINC000809766091 1026620862 /nfs/dbraw/zinc/62/08/62/1026620862.db2.gz UQYQBFSJAHTOJA-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CCOc1ccc(C[N@@H+](CC)[C@H](C)c2cccnc2)c([O-])c1 ZINC000809766091 1026620865 /nfs/dbraw/zinc/62/08/65/1026620865.db2.gz UQYQBFSJAHTOJA-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1[O-] ZINC000809788472 1026627570 /nfs/dbraw/zinc/62/75/70/1026627570.db2.gz RNXPUTYVLZVKBL-ZBEGNZNMSA-N 0 3 303.789 3.966 20 10 DHCDHN Cc1cc(Cl)cc(CN[C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788472 1026627573 /nfs/dbraw/zinc/62/75/73/1026627573.db2.gz RNXPUTYVLZVKBL-ZBEGNZNMSA-N 0 3 303.789 3.966 20 10 DHCDHN CSC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCC1 ZINC000811453172 1027004121 /nfs/dbraw/zinc/00/41/21/1027004121.db2.gz IHGRWCMPPHQEIB-INIZCTEOSA-N 0 3 321.486 3.659 20 10 DHCDHN CSC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCC1 ZINC000811453172 1027004128 /nfs/dbraw/zinc/00/41/28/1027004128.db2.gz IHGRWCMPPHQEIB-INIZCTEOSA-N 0 3 321.486 3.659 20 10 DHCDHN C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCC1(F)F ZINC000811779778 1027082830 /nfs/dbraw/zinc/08/28/30/1027082830.db2.gz SQXKGQCCTBWNEQ-LLVKDONJSA-N 0 3 313.388 3.872 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000295196773 1027140526 /nfs/dbraw/zinc/14/05/26/1027140526.db2.gz YAZYIVOLWMCXBW-DGCLKSJQSA-N 0 3 305.340 3.790 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc3cnn(C)c3c2)c1[O-] ZINC000812772457 1027399273 /nfs/dbraw/zinc/39/92/73/1027399273.db2.gz VXYIEGAKAQEBIT-UHFFFAOYSA-N 0 3 315.804 3.531 20 10 DHCDHN COc1cccc(CN2CC(Cc3ccccc3Cl)C2)c1O ZINC000813332191 1027609544 /nfs/dbraw/zinc/60/95/44/1027609544.db2.gz QTMJUCTZBNCVNX-UHFFFAOYSA-N 0 3 317.816 3.729 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000813884345 1027749515 /nfs/dbraw/zinc/74/95/15/1027749515.db2.gz TVIQRGZAUZTPGH-LSDHHAIUSA-N 0 3 314.404 3.769 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000813884343 1027750752 /nfs/dbraw/zinc/75/07/52/1027750752.db2.gz TVIQRGZAUZTPGH-HUUCEWRRSA-N 0 3 314.404 3.769 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000364405344 1027820662 /nfs/dbraw/zinc/82/06/62/1027820662.db2.gz WZWRUDGXJVIGPJ-DYESRHJHSA-N 0 3 324.468 3.843 20 10 DHCDHN COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779026913 1027916691 /nfs/dbraw/zinc/91/66/91/1027916691.db2.gz IEIXKENFBUQXOP-JTQLQIEISA-N 0 3 316.239 3.539 20 10 DHCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000779021055 1027873110 /nfs/dbraw/zinc/87/31/10/1027873110.db2.gz QPIPGKHTCDUGFE-SFHVURJKSA-N 0 3 314.404 3.632 20 10 DHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000779021055 1027873129 /nfs/dbraw/zinc/87/31/29/1027873129.db2.gz QPIPGKHTCDUGFE-SFHVURJKSA-N 0 3 314.404 3.632 20 10 DHCDHN C[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764367 1027888488 /nfs/dbraw/zinc/88/84/88/1027888488.db2.gz MHQKGSOPCAICCB-KUHUBIRLSA-N 0 3 307.397 3.566 20 10 DHCDHN COc1ccc(C[C@H](C)C[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000779025936 1027919207 /nfs/dbraw/zinc/91/92/07/1027919207.db2.gz QPUQRJJOWMBTCV-AWEZNQCLSA-N 0 3 317.404 3.851 20 10 DHCDHN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000779025936 1027919216 /nfs/dbraw/zinc/91/92/16/1027919216.db2.gz QPUQRJJOWMBTCV-AWEZNQCLSA-N 0 3 317.404 3.851 20 10 DHCDHN Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@H](C)c1ccccc1[O-] ZINC000366496680 1028087126 /nfs/dbraw/zinc/08/71/26/1028087126.db2.gz YJPZUEMBVCZQNE-DGCLKSJQSA-N 0 3 302.443 3.928 20 10 DHCDHN Cc1ccc([C@H](C)NC2(C(=O)Nc3ccccc3)CC2)c(O)c1C ZINC000779082152 1028196543 /nfs/dbraw/zinc/19/65/43/1028196543.db2.gz JAQAQIOALYUJGS-HNNXBMFYSA-N 0 3 324.424 3.831 20 10 DHCDHN CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1[O-] ZINC000368414966 1028352853 /nfs/dbraw/zinc/35/28/53/1028352853.db2.gz XADOLWGOSBQYCV-XUJLQICISA-N 0 3 315.417 3.851 20 10 DHCDHN CCN(C)c1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000815120007 1028364468 /nfs/dbraw/zinc/36/44/68/1028364468.db2.gz LZPTYLXJNNBRLU-MSOLQXFVSA-N 0 3 302.462 3.532 20 10 DHCDHN CCN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000815119415 1028365529 /nfs/dbraw/zinc/36/55/29/1028365529.db2.gz WYGAYCAXEHEWLK-RTBURBONSA-N 0 3 314.473 3.676 20 10 DHCDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC000368523627 1028367367 /nfs/dbraw/zinc/36/73/67/1028367367.db2.gz VNCFYXSMJJGQGT-PBHICJAKSA-N 0 3 312.413 3.612 20 10 DHCDHN CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000368995866 1028433734 /nfs/dbraw/zinc/43/37/34/1028433734.db2.gz UXPDEVBGRSUQJS-IUODEOHRSA-N 0 3 317.408 3.517 20 10 DHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(F)nc1 ZINC000779154572 1028457909 /nfs/dbraw/zinc/45/79/09/1028457909.db2.gz XLSWRXKQAICAIJ-UHFFFAOYSA-N 0 3 301.409 3.697 20 10 DHCDHN CCC[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815578918 1028551145 /nfs/dbraw/zinc/55/11/45/1028551145.db2.gz ABFVUTAZPPZOPM-HKUYNNGSSA-N 0 3 313.441 3.817 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)c1[O-] ZINC000370020188 1028553909 /nfs/dbraw/zinc/55/39/09/1028553909.db2.gz MVOUMFZHMZLIHN-DYVFJYSZSA-N 0 3 317.816 3.665 20 10 DHCDHN CC(C)[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815580574 1028554107 /nfs/dbraw/zinc/55/41/07/1028554107.db2.gz MRMGHWZHVNZWDG-ICSRJNTNSA-N 0 3 313.441 3.673 20 10 DHCDHN CC(C)N1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040621778 1028580346 /nfs/dbraw/zinc/58/03/46/1028580346.db2.gz MHPKKMNJJDSAAH-NSHDSACASA-N 0 3 317.260 3.519 20 10 DHCDHN CCc1noc(C)c1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815641135 1028589681 /nfs/dbraw/zinc/58/96/81/1028589681.db2.gz QOAWFPGVHHYHIP-LKFCYVNXSA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815641135 1028589687 /nfs/dbraw/zinc/58/96/87/1028589687.db2.gz QOAWFPGVHHYHIP-LKFCYVNXSA-N 0 3 304.365 3.728 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000815645636 1028592234 /nfs/dbraw/zinc/59/22/34/1028592234.db2.gz LTUNABUVFOAQKW-NXEZZACHSA-N 0 3 304.203 3.862 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000815648525 1028592714 /nfs/dbraw/zinc/59/27/14/1028592714.db2.gz PLNXUDDVRPFVCK-XPKDYRNWSA-N 0 3 321.436 3.858 20 10 DHCDHN Cc1ccc(Br)cc1C[NH2+]Cc1ccccc1[O-] ZINC000190297879 1028879369 /nfs/dbraw/zinc/87/93/69/1028879369.db2.gz ODPHBXRQKSBYNO-UHFFFAOYSA-N 0 3 306.203 3.753 20 10 DHCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000816515421 1028913375 /nfs/dbraw/zinc/91/33/75/1028913375.db2.gz ZAVMQGIETWDRLE-DNVCBOLYSA-N 0 3 312.457 3.708 20 10 DHCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000816515421 1028913399 /nfs/dbraw/zinc/91/33/99/1028913399.db2.gz ZAVMQGIETWDRLE-DNVCBOLYSA-N 0 3 312.457 3.708 20 10 DHCDHN CCC[N@H+](CCCN(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816611086 1028960190 /nfs/dbraw/zinc/96/01/90/1028960190.db2.gz HFVQJXMNGIJVSC-UHFFFAOYSA-N 0 3 300.446 3.709 20 10 DHCDHN CCC[N@@H+](CCCN(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816611086 1028960197 /nfs/dbraw/zinc/96/01/97/1028960197.db2.gz HFVQJXMNGIJVSC-UHFFFAOYSA-N 0 3 300.446 3.709 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667923 1028991695 /nfs/dbraw/zinc/99/16/95/1028991695.db2.gz ZZDVZFDSVXHHQQ-KRWDZBQOSA-N 0 3 311.425 3.936 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667923 1028991711 /nfs/dbraw/zinc/99/17/11/1028991711.db2.gz ZZDVZFDSVXHHQQ-KRWDZBQOSA-N 0 3 311.425 3.936 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817413577 1029152504 /nfs/dbraw/zinc/15/25/04/1029152504.db2.gz ZMVJGGXSTZQGOD-NSHDSACASA-N 0 3 303.324 3.565 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817413577 1029152505 /nfs/dbraw/zinc/15/25/05/1029152505.db2.gz ZMVJGGXSTZQGOD-NSHDSACASA-N 0 3 303.324 3.565 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccccc1[O-] ZINC000155205007 1029194066 /nfs/dbraw/zinc/19/40/66/1029194066.db2.gz ZOEDCDBKKKUDHD-SFHVURJKSA-N 0 3 315.413 3.658 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000155376050 1029229133 /nfs/dbraw/zinc/22/91/33/1029229133.db2.gz LPRCBLRCVDIXJY-QGZVFWFLSA-N 0 3 315.413 3.693 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)c1[O-] ZINC000817955148 1029297529 /nfs/dbraw/zinc/29/75/29/1029297529.db2.gz REAOZFJYMDSBKX-LRDDRELGSA-N 0 3 304.821 3.705 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccccc1[O-] ZINC000156083324 1029374644 /nfs/dbraw/zinc/37/46/44/1029374644.db2.gz CPBRISLMILGLRR-GOEBONIOSA-N 0 3 315.413 3.909 20 10 DHCDHN C[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000818356444 1029382213 /nfs/dbraw/zinc/38/22/13/1029382213.db2.gz JGUIZDGZWMNHBZ-ZDUSSCGKSA-N 0 3 307.434 3.801 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1F ZINC000320829310 1029428817 /nfs/dbraw/zinc/42/88/17/1029428817.db2.gz FXGPLWVRCXEHAC-XHDPSFHLSA-N 0 3 301.361 3.878 20 10 DHCDHN Cc1ccccc1COC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000374774940 1029457668 /nfs/dbraw/zinc/45/76/68/1029457668.db2.gz BSAPURLOFGCGQM-UHFFFAOYSA-N 0 3 311.425 3.882 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170943911 1029677402 /nfs/dbraw/zinc/67/74/02/1029677402.db2.gz OASGLEHTYPEPDW-OAHLLOKOSA-N 0 3 313.828 3.961 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170943911 1029677407 /nfs/dbraw/zinc/67/74/07/1029677407.db2.gz OASGLEHTYPEPDW-OAHLLOKOSA-N 0 3 313.828 3.961 20 10 DHCDHN CSc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])ccn1 ZINC000777506733 1030062774 /nfs/dbraw/zinc/06/27/74/1030062774.db2.gz OQDBHPMTZBLFKN-UHFFFAOYSA-N 0 3 308.834 3.761 20 10 DHCDHN CCOc1cccc(CN(CC)[C@H](C)c2cccnc2)c1O ZINC000290661538 1030143309 /nfs/dbraw/zinc/14/33/09/1030143309.db2.gz ZROGSLGEQWTAOP-CQSZACIVSA-N 0 3 300.402 3.769 20 10 DHCDHN CCOc1cccc(CN(CC)[C@@H](C)c2cccnc2)c1O ZINC000290661536 1030144329 /nfs/dbraw/zinc/14/43/29/1030144329.db2.gz ZROGSLGEQWTAOP-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)F)c1[O-] ZINC000866409525 1030286483 /nfs/dbraw/zinc/28/64/83/1030286483.db2.gz MRHMHNHKTAGKCU-MRVPVSSYSA-N 0 3 320.202 3.562 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000777554198 1030336627 /nfs/dbraw/zinc/33/66/27/1030336627.db2.gz VBQARVQUBLBDEA-KRWDZBQOSA-N 0 3 311.425 3.936 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000777554198 1030336633 /nfs/dbraw/zinc/33/66/33/1030336633.db2.gz VBQARVQUBLBDEA-KRWDZBQOSA-N 0 3 311.425 3.936 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(C)cc1[O-] ZINC000866531737 1030352430 /nfs/dbraw/zinc/35/24/30/1030352430.db2.gz SPIFJNOMQSTVSG-DOTOQJQBSA-N 0 3 303.446 3.948 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(C)cc1[O-] ZINC000866573799 1030385960 /nfs/dbraw/zinc/38/59/60/1030385960.db2.gz NXZITWREBKXKBE-GOSISDBHSA-N 0 3 323.440 3.871 20 10 DHCDHN COc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)c([O-])c1 ZINC000824319945 1030523516 /nfs/dbraw/zinc/52/35/16/1030523516.db2.gz AXDDZWNHSLMICH-UHFFFAOYSA-N 0 3 319.445 3.761 20 10 DHCDHN CN(C)c1ccc(/C=C\CN2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000828014213 1030530617 /nfs/dbraw/zinc/53/06/17/1030530617.db2.gz XFZHBWBSRWSEMH-WAYWQWQTSA-N 0 3 324.472 3.573 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccnc(C)c2)cc1F ZINC000824596843 1030591548 /nfs/dbraw/zinc/59/15/48/1030591548.db2.gz MLXCGAMNWHEOFC-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000824750770 1030639311 /nfs/dbraw/zinc/63/93/11/1030639311.db2.gz OGFGUUCQCUJGKY-CYBMUJFWSA-N 0 3 309.837 3.793 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825087097 1030720266 /nfs/dbraw/zinc/72/02/66/1030720266.db2.gz XOSNASOZXUVZTH-UKRRQHHQSA-N 0 3 307.390 3.603 20 10 DHCDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cnc(C)nc1C ZINC000359002255 1030722515 /nfs/dbraw/zinc/72/25/15/1030722515.db2.gz LQJVTFGWBVQKHZ-CYBMUJFWSA-N 0 3 308.429 3.744 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122781938 1030868112 /nfs/dbraw/zinc/86/81/12/1030868112.db2.gz RUNVJRPKYSYUNO-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1nc3c(s1)CCCC3)CC2 ZINC000926914581 1030986024 /nfs/dbraw/zinc/98/60/24/1030986024.db2.gz AULUDPCUYZNFBZ-CYBMUJFWSA-N 0 3 300.427 3.505 20 10 DHCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](CC)c3ccccc3[O-])C2)n1 ZINC000927053186 1031050962 /nfs/dbraw/zinc/05/09/62/1031050962.db2.gz OPDKBOZNYLGLCW-NFAWXSAZSA-N 0 3 315.417 3.715 20 10 DHCDHN CN(C)c1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000844383535 1031091657 /nfs/dbraw/zinc/09/16/57/1031091657.db2.gz YZAKBBFTXPNGEQ-UHFFFAOYSA-N 0 3 316.342 3.619 20 10 DHCDHN CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(C)cc1[O-] ZINC000927140055 1031113875 /nfs/dbraw/zinc/11/38/75/1031113875.db2.gz PPFMNOSAJNGXCZ-NSHGMRRFSA-N 0 3 311.425 3.790 20 10 DHCDHN Cc1nc([C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000360262655 1031352948 /nfs/dbraw/zinc/35/29/48/1031352948.db2.gz UXTLNCAHEUPXKT-OAHLLOKOSA-N 0 3 323.396 3.616 20 10 DHCDHN Cc1nc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000360262655 1031352960 /nfs/dbraw/zinc/35/29/60/1031352960.db2.gz UXTLNCAHEUPXKT-OAHLLOKOSA-N 0 3 323.396 3.616 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cc(F)ccc1[O-] ZINC000844922899 1031401940 /nfs/dbraw/zinc/40/19/40/1031401940.db2.gz COTQDGAFFMCGPV-XJKSGUPXSA-N 0 3 314.404 3.999 20 10 DHCDHN CSc1ccc([C@H](C[NH2+]Cc2ccccc2[O-])N(C)C)cc1 ZINC000293486311 1031487272 /nfs/dbraw/zinc/48/72/72/1031487272.db2.gz SIOPJRGCSYOQJH-KRWDZBQOSA-N 0 3 316.470 3.507 20 10 DHCDHN Cc1nccnc1[C@@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134008 1031527586 /nfs/dbraw/zinc/52/75/86/1031527586.db2.gz QDLQRZKDCDMRCV-GXTWGEPZSA-N 0 3 311.429 3.781 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000872133930 1031527644 /nfs/dbraw/zinc/52/76/44/1031527644.db2.gz UABYBURQDJKRAB-IWEFOYFVSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293631433 1031546965 /nfs/dbraw/zinc/54/69/65/1031546965.db2.gz LNPKHBDIFGWIJA-QGZVFWFLSA-N 0 3 321.848 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293631433 1031546981 /nfs/dbraw/zinc/54/69/81/1031546981.db2.gz LNPKHBDIFGWIJA-QGZVFWFLSA-N 0 3 321.848 3.745 20 10 DHCDHN Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC000872815972 1031667765 /nfs/dbraw/zinc/66/77/65/1031667765.db2.gz FFTSONKLSVZAAV-DOMZBBRYSA-N 0 3 317.351 3.551 20 10 DHCDHN Cn1ccnc1CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000293916186 1031697517 /nfs/dbraw/zinc/69/75/17/1031697517.db2.gz XEKVJISVRSEYCE-GOSISDBHSA-N 0 3 321.424 3.589 20 10 DHCDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000845970888 1031789153 /nfs/dbraw/zinc/78/91/53/1031789153.db2.gz FIABPAQTZHMXTF-LLVKDONJSA-N 0 3 321.804 3.919 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2[O-] ZINC000873289198 1031791052 /nfs/dbraw/zinc/79/10/52/1031791052.db2.gz QVAUVYJIHLIQQZ-YMTOWFKASA-N 0 3 304.340 3.591 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccccc1[O-] ZINC000845992275 1031794846 /nfs/dbraw/zinc/79/48/46/1031794846.db2.gz HYRXFAOIJYZIGS-MRXNPFEDSA-N 0 3 315.413 3.959 20 10 DHCDHN CCCCn1cc(CN[C@@H](C)c2cccc(OC)c2O)c(C)n1 ZINC000846160738 1031892175 /nfs/dbraw/zinc/89/21/75/1031892175.db2.gz XYZSJOFXZUAHIU-AWEZNQCLSA-N 0 3 317.433 3.557 20 10 DHCDHN COc1cccc([C@H](C)N[C@H](C)c2ccccc2OC)c1O ZINC000846135590 1031901208 /nfs/dbraw/zinc/90/12/08/1031901208.db2.gz DQAUNVCQCFMOFZ-OLZOCXBDSA-N 0 3 301.386 3.821 20 10 DHCDHN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000846181439 1031915733 /nfs/dbraw/zinc/91/57/33/1031915733.db2.gz AXUDHRMVPDJFHY-VEVIJQCQSA-N 0 3 303.377 3.612 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000846189878 1031922397 /nfs/dbraw/zinc/92/23/97/1031922397.db2.gz VPXBBJGLVUDCGD-IEBWSBKVSA-N 0 3 303.446 3.947 20 10 DHCDHN Cc1cccc(CNCc2cc(Br)ccc2F)c1O ZINC000124682054 1031946443 /nfs/dbraw/zinc/94/64/43/1031946443.db2.gz UWOAIUVCPYALHI-UHFFFAOYSA-N 0 3 324.193 3.892 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C(F)F)nc2)c1 ZINC000877532341 1033339350 /nfs/dbraw/zinc/33/93/50/1033339350.db2.gz DZBDFCCSRZZXHO-SNVBAGLBSA-N 0 3 308.328 3.584 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c([O-])c1 ZINC000877548312 1033348311 /nfs/dbraw/zinc/34/83/11/1033348311.db2.gz VPHAMLLQUQBUCP-SJKOYZFVSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1cc(CN[C@H](C)c2ccccc2O)c(Cl)cc1O ZINC000877755791 1033431055 /nfs/dbraw/zinc/43/10/55/1033431055.db2.gz MZSHSYJSDUIITJ-SNVBAGLBSA-N 0 3 307.777 3.611 20 10 DHCDHN COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877755767 1033432154 /nfs/dbraw/zinc/43/21/54/1033432154.db2.gz MDMAROUZCXAZDK-LSDHHAIUSA-N 0 3 315.413 3.657 20 10 DHCDHN COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877758192 1033434889 /nfs/dbraw/zinc/43/48/89/1033434889.db2.gz MDMAROUZCXAZDK-CABCVRRESA-N 0 3 315.413 3.657 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c([O-])c1 ZINC000877812474 1033462558 /nfs/dbraw/zinc/46/25/58/1033462558.db2.gz ARLGEQOQSRBTOM-CQSZACIVSA-N 0 3 318.442 3.545 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c([O-])c1 ZINC000877812474 1033462564 /nfs/dbraw/zinc/46/25/64/1033462564.db2.gz ARLGEQOQSRBTOM-CQSZACIVSA-N 0 3 318.442 3.545 20 10 DHCDHN CCOc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000879649322 1034071474 /nfs/dbraw/zinc/07/14/74/1034071474.db2.gz NEKYHPCKKMEEAH-GFCCVEGCSA-N 0 3 316.357 3.550 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c1[O-] ZINC000808695944 1034233761 /nfs/dbraw/zinc/23/37/61/1034233761.db2.gz QIDOURYFHOFSRH-BIBXISHDSA-N 0 3 317.882 3.552 20 10 DHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1C(C)C ZINC000794647377 1034311761 /nfs/dbraw/zinc/31/17/61/1034311761.db2.gz OYXFFVMKRZQSAW-IFXJQAMLSA-N 0 3 303.446 3.823 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000183450455 1034387046 /nfs/dbraw/zinc/38/70/46/1034387046.db2.gz GKTQJCCRQNIRTK-LLVKDONJSA-N 0 3 319.788 3.668 20 10 DHCDHN CCCOc1ccc(CN(C)[C@@H](C)c2cccnc2)c(O)c1 ZINC000183730528 1034417536 /nfs/dbraw/zinc/41/75/36/1034417536.db2.gz VQBICVSPAUUKCP-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)c([O-])c1 ZINC000183730528 1034417543 /nfs/dbraw/zinc/41/75/43/1034417543.db2.gz VQBICVSPAUUKCP-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c([O-])c1 ZINC000183730528 1034417553 /nfs/dbraw/zinc/41/75/53/1034417553.db2.gz VQBICVSPAUUKCP-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN Cc1cnccc1Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC001174539369 1034456113 /nfs/dbraw/zinc/45/61/13/1034456113.db2.gz JBECYSIULBAOKS-UHFFFAOYSA-N 0 3 303.409 3.923 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000794800558 1034470906 /nfs/dbraw/zinc/47/09/06/1034470906.db2.gz DBRUBLNEMPWHMS-CRAIPNDOSA-N 0 3 324.424 3.547 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802666 1034473042 /nfs/dbraw/zinc/47/30/42/1034473042.db2.gz OCYTUCJYACALFT-CRAIPNDOSA-N 0 3 311.425 3.993 20 10 DHCDHN CC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794807476 1034493029 /nfs/dbraw/zinc/49/30/29/1034493029.db2.gz YDTDDKUAYJDGTB-LJQANCHMSA-N 0 3 310.441 3.757 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794808386 1034497646 /nfs/dbraw/zinc/49/76/46/1034497646.db2.gz ASFLLGPCQGDFKC-MNEFBYGVSA-N 0 3 313.441 3.906 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000184918496 1034511866 /nfs/dbraw/zinc/51/18/66/1034511866.db2.gz HYVRLZVELMXIKO-QFYYESIMSA-N 0 3 309.768 3.569 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c([O-])c1 ZINC000184973466 1034514294 /nfs/dbraw/zinc/51/42/94/1034514294.db2.gz VLIFICFBSPDAAR-OAHLLOKOSA-N 0 3 311.429 3.547 20 10 DHCDHN COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185012482 1034522223 /nfs/dbraw/zinc/52/22/23/1034522223.db2.gz NKBKWWJMECYPNI-HNNXBMFYSA-N 0 3 315.413 3.577 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c([O-])c1 ZINC000185093951 1034526750 /nfs/dbraw/zinc/52/67/50/1034526750.db2.gz RCGPDSWJFOXJQL-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN COc1cccc(CN[C@@H](C)c2cc(C)ccc2O)c1OC ZINC000185076812 1034528453 /nfs/dbraw/zinc/52/84/53/1034528453.db2.gz ACMAVNOMXZBQHZ-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794824628 1034533908 /nfs/dbraw/zinc/53/39/08/1034533908.db2.gz KSKWEBYEFCFUIE-HIFRSBDPSA-N 0 3 322.449 3.655 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccccc1[O-] ZINC000185210362 1034535280 /nfs/dbraw/zinc/53/52/80/1034535280.db2.gz NVYWVBSXNCBOFY-GOSISDBHSA-N 0 3 312.413 3.634 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c([O-])c1 ZINC000185232554 1034535683 /nfs/dbraw/zinc/53/56/83/1034535683.db2.gz UJUMFSZKVBQSSB-ZDUSSCGKSA-N 0 3 302.393 3.757 20 10 DHCDHN C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000185312682 1034539604 /nfs/dbraw/zinc/53/96/04/1034539604.db2.gz JFFIUNDREUQBKU-PXAZEXFGSA-N 0 3 305.805 3.604 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185648956 1034561969 /nfs/dbraw/zinc/56/19/69/1034561969.db2.gz LDBRBLYKIIIPOI-CYBMUJFWSA-N 0 3 306.425 3.589 20 10 DHCDHN C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185840681 1034578994 /nfs/dbraw/zinc/57/89/94/1034578994.db2.gz KEXDXIKBPLYUFZ-JRPNMDOOSA-N 0 3 309.406 3.756 20 10 DHCDHN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc2c(cc1[O-])CCCC2 ZINC000186075503 1034594992 /nfs/dbraw/zinc/59/49/92/1034594992.db2.gz YEEFJOQIKIHUHI-UONOGXRCSA-N 0 3 305.462 3.719 20 10 DHCDHN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000186131112 1034600895 /nfs/dbraw/zinc/60/08/95/1034600895.db2.gz WNNJUJFPCCLOJP-GXTWGEPZSA-N 0 3 309.413 3.859 20 10 DHCDHN C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186159709 1034605406 /nfs/dbraw/zinc/60/54/06/1034605406.db2.gz XGNBYHHTLXTETA-FZKQIMNGSA-N 0 3 315.388 3.696 20 10 DHCDHN C[C@H](N[C@@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532501 1034639576 /nfs/dbraw/zinc/63/95/76/1034639576.db2.gz STYNFEHZFOXTNF-GUYCJALGSA-N 0 3 315.413 3.638 20 10 DHCDHN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(F)c1F ZINC001143611265 1034902803 /nfs/dbraw/zinc/90/28/03/1034902803.db2.gz WFKPFTBHXXUBCM-UHFFFAOYSA-N 0 3 304.384 3.971 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001180052870 1035577024 /nfs/dbraw/zinc/57/70/24/1035577024.db2.gz WEIGVBXWAGLEDE-RDJZCZTQSA-N 0 3 307.459 3.569 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001180052870 1035577037 /nfs/dbraw/zinc/57/70/37/1035577037.db2.gz WEIGVBXWAGLEDE-RDJZCZTQSA-N 0 3 307.459 3.569 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001181085937 1035826005 /nfs/dbraw/zinc/82/60/05/1035826005.db2.gz HZRSXKXDCWTJHU-FUHWJXTLSA-N 0 3 301.361 3.541 20 10 DHCDHN COc1cc(O)c(CN[C@H](C)c2ccccc2Cl)cc1OC ZINC000754148345 1036043296 /nfs/dbraw/zinc/04/32/96/1036043296.db2.gz HQAYDPBYTVWIEP-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c1[O-] ZINC000230934562 1036119277 /nfs/dbraw/zinc/11/92/77/1036119277.db2.gz QTSLUNVYOQKTOX-CHWSQXEVSA-N 0 3 315.866 3.818 20 10 DHCDHN Cc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC000775639500 1036150784 /nfs/dbraw/zinc/15/07/84/1036150784.db2.gz XRNGSAIYZIHHEU-UXBLZVDNSA-N 0 3 322.452 3.532 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cnn(CCF)c1)C1CCCC1 ZINC000929636188 1036158948 /nfs/dbraw/zinc/15/89/48/1036158948.db2.gz QDNALIHHSMRHQQ-UHFFFAOYSA-N 0 3 317.408 3.503 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnn(CCF)c1)C1CCCC1 ZINC000929636188 1036158952 /nfs/dbraw/zinc/15/89/52/1036158952.db2.gz QDNALIHHSMRHQQ-UHFFFAOYSA-N 0 3 317.408 3.503 20 10 DHCDHN CCC[N@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000775715826 1036532889 /nfs/dbraw/zinc/53/28/89/1036532889.db2.gz LVLIZCDEVBUWAA-NXHRZFHOSA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cccc(C)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000775715826 1036532912 /nfs/dbraw/zinc/53/29/12/1036532912.db2.gz LVLIZCDEVBUWAA-NXHRZFHOSA-N 0 3 303.446 3.726 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1[O-] ZINC001184250597 1036787500 /nfs/dbraw/zinc/78/75/00/1036787500.db2.gz GBVVHLLGQPDWDF-DDTOSNHZSA-N 0 3 310.235 3.741 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1[O-] ZINC001184250604 1036788189 /nfs/dbraw/zinc/78/81/89/1036788189.db2.gz GBVVHLLGQPDWDF-ZLKJLUDKSA-N 0 3 310.235 3.741 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c([O-])c1 ZINC000315933959 1037063401 /nfs/dbraw/zinc/06/34/01/1037063401.db2.gz WBJLOGJFRMQFPM-PBHICJAKSA-N 0 3 301.434 3.663 20 10 DHCDHN CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761227723 1037373485 /nfs/dbraw/zinc/37/34/85/1037373485.db2.gz ACBZUFDQPJXHQF-SNVBAGLBSA-N 0 3 311.731 3.875 20 10 DHCDHN CN(Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)CCC2 ZINC000913066356 1037715476 /nfs/dbraw/zinc/71/54/76/1037715476.db2.gz KNLKARAXNHHUAU-UHFFFAOYSA-N 0 3 303.352 3.791 20 10 DHCDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775364462 1038275016 /nfs/dbraw/zinc/27/50/16/1038275016.db2.gz QZRZTBNVSWPJHQ-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN CC(C)CC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001190904209 1038407068 /nfs/dbraw/zinc/40/70/68/1038407068.db2.gz KWTDIQYOSWXHCT-SFHVURJKSA-N 0 3 305.462 3.934 20 10 DHCDHN CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001190904209 1038407075 /nfs/dbraw/zinc/40/70/75/1038407075.db2.gz KWTDIQYOSWXHCT-SFHVURJKSA-N 0 3 305.462 3.934 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1cc(Cl)ccc1[O-] ZINC000775500195 1038584043 /nfs/dbraw/zinc/58/40/43/1038584043.db2.gz ZMCIRNJMDFMMMX-WBMJQRKESA-N 0 3 321.852 3.928 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC000775522198 1038625464 /nfs/dbraw/zinc/62/54/64/1038625464.db2.gz MAEOBEUMVFLYAI-GDBMZVCRSA-N 0 3 313.397 3.663 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000775539100 1038682297 /nfs/dbraw/zinc/68/22/97/1038682297.db2.gz CCARIJCWSRZDID-DOTOQJQBSA-N 0 3 319.445 3.899 20 10 DHCDHN CC[C@H](C[NH2+][C@@H](CC)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000227711820 1040365853 /nfs/dbraw/zinc/36/58/53/1040365853.db2.gz MFRUPLURYUZHMO-HIFRSBDPSA-N 0 3 322.449 3.736 20 10 DHCDHN COc1cc(Cl)cc(CNC2(c3ccc(F)cc3)CC2)c1O ZINC000761208255 1040605883 /nfs/dbraw/zinc/60/58/83/1040605883.db2.gz WGRPLWLDGJMWSU-UHFFFAOYSA-N 0 3 321.779 3.972 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3)CC2)c1[O-] ZINC000761208255 1040605889 /nfs/dbraw/zinc/60/58/89/1040605889.db2.gz WGRPLWLDGJMWSU-UHFFFAOYSA-N 0 3 321.779 3.972 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C2(C)Cc3ccccc3C2)c1[O-] ZINC000761216432 1040688579 /nfs/dbraw/zinc/68/85/79/1040688579.db2.gz RNIVAPYQHFAOGS-UHFFFAOYSA-N 0 3 317.816 3.701 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccccc1[O-] ZINC000021810614 182291853 /nfs/dbraw/zinc/29/18/53/182291853.db2.gz RONNXXCMUDOCAN-HUUCEWRRSA-N 0 3 304.459 3.797 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccccc1[O-] ZINC000021810616 182291864 /nfs/dbraw/zinc/29/18/64/182291864.db2.gz RONNXXCMUDOCAN-LSDHHAIUSA-N 0 3 304.459 3.797 20 10 DHCDHN COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1[O-])CC3 ZINC000273068398 130087093 /nfs/dbraw/zinc/08/70/93/130087093.db2.gz MTVMWRNZCHPQTO-AWEZNQCLSA-N 0 3 322.408 3.529 20 10 DHCDHN CSC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000273348109 130109341 /nfs/dbraw/zinc/10/93/41/130109341.db2.gz BFDNBUJGEJYIJP-CQSZACIVSA-N 0 3 309.475 3.572 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c([O-])c1C ZINC000273379310 130114832 /nfs/dbraw/zinc/11/48/32/130114832.db2.gz HVVUEUXVZMCYAL-AWEZNQCLSA-N 0 3 313.397 3.631 20 10 DHCDHN C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273533102 130133751 /nfs/dbraw/zinc/13/37/51/130133751.db2.gz WSULCIBMSJGNGT-JTQLQIEISA-N 0 3 315.244 3.612 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c(O)c1C ZINC000273539511 130134128 /nfs/dbraw/zinc/13/41/28/130134128.db2.gz XZVBDJVUIZNOGL-CYBMUJFWSA-N 0 3 300.358 3.768 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c([O-])c1C ZINC000273565266 130136184 /nfs/dbraw/zinc/13/61/84/130136184.db2.gz JGCZEQFMLCOQLV-GUYCJALGSA-N 0 3 305.443 3.629 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000275059186 130288390 /nfs/dbraw/zinc/28/83/90/130288390.db2.gz PAFGUEOBIIFJEJ-APWZRJJASA-N 0 3 311.425 3.700 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000275344186 130307622 /nfs/dbraw/zinc/30/76/22/130307622.db2.gz PIDDKTUKXBDDDX-LLVKDONJSA-N 0 3 323.234 3.652 20 10 DHCDHN COc1ncc([C@H](C)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000284120112 131050318 /nfs/dbraw/zinc/05/03/18/131050318.db2.gz CNYYKCKLVIWDJU-LBPRGKRZSA-N 0 3 319.836 3.660 20 10 DHCDHN CCc1noc(CC)c1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000284313305 131069643 /nfs/dbraw/zinc/06/96/43/131069643.db2.gz ZINUMWIQQRPODZ-CYBMUJFWSA-N 0 3 302.418 3.973 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000285519440 131177117 /nfs/dbraw/zinc/17/71/17/131177117.db2.gz OFDFHJXPWKTVRF-INIZCTEOSA-N 0 3 315.413 3.959 20 10 DHCDHN C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000285651082 131189959 /nfs/dbraw/zinc/18/99/59/131189959.db2.gz YLWSJGHCVTUNBK-QAPCUYQASA-N 0 3 311.425 3.821 20 10 DHCDHN C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000287111454 131264794 /nfs/dbraw/zinc/26/47/94/131264794.db2.gz QPSIZIAAEJNKID-SJKOYZFVSA-N 0 3 320.383 3.624 20 10 DHCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000297386601 132013506 /nfs/dbraw/zinc/01/35/06/132013506.db2.gz RKXNCHIWIZFMHW-ONGXEEELSA-N 0 3 309.303 3.539 20 10 DHCDHN COc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc2n1 ZINC000297890548 132038998 /nfs/dbraw/zinc/03/89/98/132038998.db2.gz VNDLHEDSNPFXBS-QGZVFWFLSA-N 0 3 320.392 3.726 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])c1ccc(OC)cc1 ZINC000122034340 132161423 /nfs/dbraw/zinc/16/14/23/132161423.db2.gz HRNIPAJBRILNFC-KRWDZBQOSA-N 0 3 301.386 3.650 20 10 DHCDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090224792 331822511 /nfs/dbraw/zinc/82/25/11/331822511.db2.gz KFHOVRLZNBCWFE-SFHVURJKSA-N 0 3 313.401 3.902 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c([O-])c1 ZINC000293898628 335115515 /nfs/dbraw/zinc/11/55/15/335115515.db2.gz WINRCNQGFRKZSL-DYVFJYSZSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293955881 335116002 /nfs/dbraw/zinc/11/60/02/335116002.db2.gz PLOHXCXKOIYOAH-IBGZPJMESA-N 0 3 311.425 3.694 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3O)c1[O-] ZINC000295140154 335132561 /nfs/dbraw/zinc/13/25/61/335132561.db2.gz PRTCVBVVBLWNKJ-CQSZACIVSA-N 0 3 319.788 3.537 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1[O-] ZINC000121094343 333320717 /nfs/dbraw/zinc/32/07/17/333320717.db2.gz JPPVFBQHCYKPTC-LJQANCHMSA-N 0 3 321.424 3.878 20 10 DHCDHN C[C@H](O)C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297131673 335148949 /nfs/dbraw/zinc/14/89/49/335148949.db2.gz YZZVZAIBDZTFDP-WBAXXEDZSA-N 0 3 311.425 3.524 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000297250608 335152305 /nfs/dbraw/zinc/15/23/05/335152305.db2.gz JGNZJOXEMSSCPD-QWRGUYRKSA-N 0 3 304.321 3.851 20 10 DHCDHN CCc1nc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])cs1 ZINC000273460893 334047326 /nfs/dbraw/zinc/04/73/26/334047326.db2.gz CQAJPYAHJJYCID-CYBMUJFWSA-N 0 3 304.459 3.921 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1[O-] ZINC000281210491 334123896 /nfs/dbraw/zinc/12/38/96/334123896.db2.gz UEBMMPDZQRSTIK-SECBINFHSA-N 0 3 305.752 3.579 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000282296650 334132987 /nfs/dbraw/zinc/13/29/87/334132987.db2.gz MAOVJYJZANNERZ-ZDUSSCGKSA-N 0 3 310.397 3.775 20 10 DHCDHN COc1ccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c([O-])c1 ZINC000367309399 336624794 /nfs/dbraw/zinc/62/47/94/336624794.db2.gz WDJRFVNZKJPXHQ-UHFFFAOYSA-N 0 3 319.351 3.715 20 10 DHCDHN CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000368995869 336856446 /nfs/dbraw/zinc/85/64/46/336856446.db2.gz UXPDEVBGRSUQJS-SWLSCSKDSA-N 0 3 317.408 3.517 20 10 DHCDHN COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000371868830 336915199 /nfs/dbraw/zinc/91/51/99/336915199.db2.gz CERMXNUEFCEGAB-CXAGYDPISA-N 0 3 313.397 3.884 20 10 DHCDHN COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000373267460 336954920 /nfs/dbraw/zinc/95/49/20/336954920.db2.gz KXDDRUCOOJBGQP-XJKSGUPXSA-N 0 3 313.397 3.884 20 10 DHCDHN CN1Cc2ccccc2[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1 ZINC000374335656 336987416 /nfs/dbraw/zinc/98/74/16/336987416.db2.gz ZWTRIQNEEQXJMH-FQEVSTJZSA-N 0 3 318.420 3.822 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCOc3c(F)cccc32)c1 ZINC000375345294 337008495 /nfs/dbraw/zinc/00/84/95/337008495.db2.gz NCQTZFJVCGEZAF-BDJLRTHQSA-N 0 3 317.360 3.714 20 10 DHCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1[O-] ZINC000375531174 337012899 /nfs/dbraw/zinc/01/28/99/337012899.db2.gz ZPMLVTZMZIMWRM-YQVWRLOYSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1[O-] ZINC000375531174 337012900 /nfs/dbraw/zinc/01/29/00/337012900.db2.gz ZPMLVTZMZIMWRM-YQVWRLOYSA-N 0 3 303.446 3.606 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(c2ccnn2CC)CC1 ZINC000377618272 337056424 /nfs/dbraw/zinc/05/64/24/337056424.db2.gz CAIXNOHKWBJTMS-QGZVFWFLSA-N 0 3 313.445 3.939 20 10 DHCDHN Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000179611192 337170595 /nfs/dbraw/zinc/17/05/95/337170595.db2.gz FTTVUCLABMQLJI-UHFFFAOYSA-N 0 3 324.424 3.551 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1[O-] ZINC000183469781 337191909 /nfs/dbraw/zinc/19/19/09/337191909.db2.gz BSBBMHBNHTWXQH-OAHLLOKOSA-N 0 3 302.462 3.697 20 10 DHCDHN C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1[O-] ZINC000183469761 337191932 /nfs/dbraw/zinc/19/19/32/337191932.db2.gz BSBBMHBNHTWXQH-HNNXBMFYSA-N 0 3 302.462 3.697 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183551513 337192188 /nfs/dbraw/zinc/19/21/88/337192188.db2.gz VQIMMWMPGJTSBG-CHWSQXEVSA-N 0 3 318.367 3.600 20 10 DHCDHN Cc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCN2C ZINC000188874931 337275885 /nfs/dbraw/zinc/27/58/85/337275885.db2.gz NRWXDMDFABLCFN-GOSISDBHSA-N 0 3 308.425 3.601 20 10 DHCDHN COc1ccc([C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C2CC2)cn1 ZINC000527842711 337767996 /nfs/dbraw/zinc/76/79/96/337767996.db2.gz YBCXRHADIBOIOB-IBGZPJMESA-N 0 3 312.413 3.654 20 10 DHCDHN CCCCOc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000265097230 520881580 /nfs/dbraw/zinc/88/15/80/520881580.db2.gz QINLRUKZBDNESE-UHFFFAOYSA-N 0 3 315.413 3.870 20 10 DHCDHN CCCCOc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000265097230 520881587 /nfs/dbraw/zinc/88/15/87/520881587.db2.gz QINLRUKZBDNESE-UHFFFAOYSA-N 0 3 315.413 3.870 20 10 DHCDHN COC(C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000162153201 522528908 /nfs/dbraw/zinc/52/89/08/522528908.db2.gz RAFDCXUSYSEONE-HNNXBMFYSA-N 0 3 315.413 3.574 20 10 DHCDHN COC(C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000162153201 522528917 /nfs/dbraw/zinc/52/89/17/522528917.db2.gz RAFDCXUSYSEONE-HNNXBMFYSA-N 0 3 315.413 3.574 20 10 DHCDHN CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[O-] ZINC000157457957 522761314 /nfs/dbraw/zinc/76/13/14/522761314.db2.gz CBDRYYUHWUMERX-LAQRGFTBSA-N 0 3 301.430 3.781 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[O-] ZINC000157457799 522930821 /nfs/dbraw/zinc/93/08/21/522930821.db2.gz CBDRYYUHWUMERX-IDCNUPLLSA-N 0 3 301.430 3.781 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(Cl)ccc2OC)c1 ZINC000182315181 524763955 /nfs/dbraw/zinc/76/39/55/524763955.db2.gz YOQWKTOJGYLYBH-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000183379178 525476924 /nfs/dbraw/zinc/47/69/24/525476924.db2.gz IPIVPVAPQKCYLI-WBVHZDCISA-N 0 3 314.429 3.863 20 10 DHCDHN Cc1ccc([C@@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852128 525744036 /nfs/dbraw/zinc/74/40/36/525744036.db2.gz JIPIOCXGEAONSD-FOIQADDNSA-N 0 3 321.424 3.874 20 10 DHCDHN Cc1c([C@H](C)NCc2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000191129606 525920758 /nfs/dbraw/zinc/92/07/58/525920758.db2.gz KZPHNXNRMYIENJ-AWEZNQCLSA-N 0 3 314.477 3.863 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c([O-])c1 ZINC000365154446 525940822 /nfs/dbraw/zinc/94/08/22/525940822.db2.gz GPCFVITWYPCATD-NBQZKYEYSA-N 0 3 311.425 3.647 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccccc1[O-] ZINC000274760435 535809213 /nfs/dbraw/zinc/80/92/13/535809213.db2.gz JXOMKQVGSHXOMZ-SJORKVTESA-N 0 3 313.397 3.965 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)c1ccc(F)cc1[O-] ZINC000285478379 535919104 /nfs/dbraw/zinc/91/91/04/535919104.db2.gz BGQIWFBIMRTIFL-SFHVURJKSA-N 0 3 316.420 3.834 20 10 DHCDHN COc1cc(C)cc(CNCc2c(F)cccc2SC)c1O ZINC000894739139 1013475130 /nfs/dbraw/zinc/47/51/30/1013475130.db2.gz JIWCBUSWKKYHIH-UHFFFAOYSA-N 0 3 321.417 3.860 20 10 DHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000074336377 1013847299 /nfs/dbraw/zinc/84/72/99/1013847299.db2.gz OPLMQCKUGCMQJU-CQSZACIVSA-N 0 3 314.429 3.621 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000160553639 1014237105 /nfs/dbraw/zinc/23/71/05/1014237105.db2.gz JRRPQQJGADLHRX-CQSZACIVSA-N 0 3 315.436 3.809 20 10 DHCDHN COc1ccc(CN2Cc3ccccc3[C@H](C)C2)c(O)c1OC ZINC000891499141 1015328144 /nfs/dbraw/zinc/32/81/44/1015328144.db2.gz NGGOVKXBDYKTGI-CYBMUJFWSA-N 0 3 313.397 3.529 20 10 DHCDHN COc1ccc(CN2CCC[C@H]2c2ccsc2)c(O)c1OC ZINC000891618105 1015449006 /nfs/dbraw/zinc/44/90/06/1015449006.db2.gz NJUIDWHAQTUQQJ-AWEZNQCLSA-N 0 3 319.426 3.808 20 10 DHCDHN C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000184963518 1016468164 /nfs/dbraw/zinc/46/81/64/1016468164.db2.gz BMDOPFMDXYUODT-ZDUSSCGKSA-N 0 3 311.360 3.568 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000184998649 1016489854 /nfs/dbraw/zinc/48/98/54/1016489854.db2.gz YRARBMVJBWRLHP-SJORKVTESA-N 0 3 310.441 3.878 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1cc(F)ccc1[O-] ZINC000185080163 1016547999 /nfs/dbraw/zinc/54/79/99/1016547999.db2.gz BHTSYWYWUNHAEX-SJCJKPOMSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000185457342 1016936018 /nfs/dbraw/zinc/93/60/18/1016936018.db2.gz PUPOSXCHYZPWTE-GOEBONIOSA-N 0 3 314.404 3.851 20 10 DHCDHN C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1cncc(F)c1 ZINC000840770521 1016938863 /nfs/dbraw/zinc/93/88/63/1016938863.db2.gz RYHNFHUUJMMBIQ-BHDSKKPTSA-N 0 3 304.340 3.965 20 10 DHCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Oc1ccccc1F ZINC000185576478 1017019476 /nfs/dbraw/zinc/01/94/76/1017019476.db2.gz KRPUMXYMGIKVOP-RYUDHWBXSA-N 0 3 307.340 3.789 20 10 DHCDHN COc1ccsc1CNCc1c(C)c2ccccc2n1C ZINC000475191472 1017053589 /nfs/dbraw/zinc/05/35/89/1017053589.db2.gz DFLNVVYVQYAUTB-UHFFFAOYSA-N 0 3 300.427 3.847 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1N(C)C ZINC000475199110 1017077098 /nfs/dbraw/zinc/07/70/98/1017077098.db2.gz SNFBWOZSGUDTAW-UHFFFAOYSA-N 0 3 307.441 3.843 20 10 DHCDHN CC[C@H](N[C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012156 1032526525 /nfs/dbraw/zinc/52/65/25/1032526525.db2.gz VXIYJHAJMDFLQB-RBUKOAKNSA-N 0 3 316.420 3.666 20 10 DHCDHN COc1cccc(CN(C)[C@H](C)c2ccc(F)c(F)c2)c1O ZINC000124941444 1032683331 /nfs/dbraw/zinc/68/33/31/1032683331.db2.gz NWVGNHIASRFCDM-LLVKDONJSA-N 0 3 307.340 3.872 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CC(OCc3ccccc3)C1)CC2 ZINC000716287488 1032691941 /nfs/dbraw/zinc/69/19/41/1032691941.db2.gz ZBYYSPJJUKFVJS-ABHNRTSZSA-N 0 3 309.409 3.717 20 10 DHCDHN Cc1csc(C[C@@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC000897301564 1017348883 /nfs/dbraw/zinc/34/88/83/1017348883.db2.gz MQUHPWYCVDPKNN-AWEZNQCLSA-N 0 3 302.443 3.530 20 10 DHCDHN Cc1csc(C[C@@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC000897301564 1017348897 /nfs/dbraw/zinc/34/88/97/1017348897.db2.gz MQUHPWYCVDPKNN-AWEZNQCLSA-N 0 3 302.443 3.530 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c([O-])c1 ZINC000186000994 1017613381 /nfs/dbraw/zinc/61/33/81/1017613381.db2.gz NEFJIRXASFHOLH-GFCCVEGCSA-N 0 3 307.340 3.708 20 10 DHCDHN CC[C@H](CC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC000858157545 1032785087 /nfs/dbraw/zinc/78/50/87/1032785087.db2.gz ZHERWYZPKUUHGB-SNVBAGLBSA-N 0 3 310.310 3.851 20 10 DHCDHN Cn1cc([C@@H](NCc2ccc3c(c2)CCCO3)C(C)(C)C)cn1 ZINC000921816509 1018898654 /nfs/dbraw/zinc/89/86/54/1018898654.db2.gz BEMKIPPMIJXARI-GOSISDBHSA-N 0 3 313.445 3.622 20 10 DHCDHN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000765946210 1018953542 /nfs/dbraw/zinc/95/35/42/1018953542.db2.gz ONTIVJWSPCMQNG-HUUCEWRRSA-N 0 3 300.450 3.942 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1N(C)C ZINC000765609552 1018998312 /nfs/dbraw/zinc/99/83/12/1018998312.db2.gz QDKHFVAATRDIMQ-CYBMUJFWSA-N 0 3 314.404 3.677 20 10 DHCDHN CCc1nc(C)c([C@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000765610955 1019000844 /nfs/dbraw/zinc/00/08/44/1019000844.db2.gz ZLQZUALILISPSZ-NSHDSACASA-N 0 3 302.443 3.800 20 10 DHCDHN Cc1c(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cccc1[N+](=O)[O-] ZINC000318230133 1019222892 /nfs/dbraw/zinc/22/28/92/1019222892.db2.gz HKIKZPBANBJRIH-LLVKDONJSA-N 0 3 304.321 3.599 20 10 DHCDHN Cc1cc(CNCc2c(C)n[nH]c2C)c(C)n1-c1ccccc1 ZINC000858294301 1032833317 /nfs/dbraw/zinc/83/33/17/1032833317.db2.gz XVNFYLPKVBLJIS-UHFFFAOYSA-N 0 3 308.429 3.724 20 10 DHCDHN Cc1cc(O)c(CN2C[C@@H](c3ccccc3)OC[C@H]2C)cc1C ZINC000727432105 1019712408 /nfs/dbraw/zinc/71/24/08/1019712408.db2.gz ZWGJIADZDHOLNW-UZLBHIALSA-N 0 3 311.425 3.971 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC001171733325 1032851182 /nfs/dbraw/zinc/85/11/82/1032851182.db2.gz QUBLQUXQRGDIBP-JFIYKMOQSA-N 0 3 310.441 3.706 20 10 DHCDHN CC(C)[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765991208 1020103327 /nfs/dbraw/zinc/10/33/27/1020103327.db2.gz BMOAHDFFZHDISP-XJKSGUPXSA-N 0 3 310.869 3.644 20 10 DHCDHN C[C@H](CC1CC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765993023 1020165274 /nfs/dbraw/zinc/16/52/74/1020165274.db2.gz KPEPFHANNYERKX-CXAGYDPISA-N 0 3 322.880 3.788 20 10 DHCDHN CC[C@@H](NCc1cccc(OC)c1O)c1cc(F)ccc1OC ZINC000922620921 1020166273 /nfs/dbraw/zinc/16/62/73/1020166273.db2.gz GAVUSVJOEGBEAY-OAHLLOKOSA-N 0 3 319.376 3.789 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000765995296 1020212175 /nfs/dbraw/zinc/21/21/75/1020212175.db2.gz UFMYNQWGQZJFSZ-DYVFJYSZSA-N 0 3 322.880 3.788 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000858442589 1032897690 /nfs/dbraw/zinc/89/76/90/1032897690.db2.gz KAPUWAICOWTUJT-IEBWSBKVSA-N 0 3 315.413 3.829 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463655 1020407059 /nfs/dbraw/zinc/40/70/59/1020407059.db2.gz FXSDEFBUEWSNAJ-MOPGFXCFSA-N 0 3 322.452 3.634 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c([O-])c1 ZINC000282618103 1020471199 /nfs/dbraw/zinc/47/11/99/1020471199.db2.gz IUEAUFZLFQEJDF-SFHVURJKSA-N 0 3 319.445 3.620 20 10 DHCDHN CC[C@H](N[C@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042293 1020553113 /nfs/dbraw/zinc/55/31/13/1020553113.db2.gz GOCFPQQRNDRDCC-ICSRJNTNSA-N 0 3 324.472 3.969 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000858490192 1032915494 /nfs/dbraw/zinc/91/54/94/1032915494.db2.gz CTVWVHZYGQTULU-XJKSGUPXSA-N 0 3 310.869 3.818 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H]2CSc3ccccc32)c1 ZINC000735508569 1020741814 /nfs/dbraw/zinc/74/18/14/1020741814.db2.gz FRRYZCSKBDLMOD-HNNXBMFYSA-N 0 3 301.411 3.728 20 10 DHCDHN C[C@H]1SCCN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H]1C ZINC000735668621 1020760234 /nfs/dbraw/zinc/76/02/34/1020760234.db2.gz JYLSQRJRDGTEAS-VXGBXAGGSA-N 0 3 309.475 3.721 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000740859203 1020955430 /nfs/dbraw/zinc/95/54/30/1020955430.db2.gz JHRQIDJWSYWAEU-OLZOCXBDSA-N 0 3 313.397 3.562 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000740859203 1020955437 /nfs/dbraw/zinc/95/54/37/1020955437.db2.gz JHRQIDJWSYWAEU-OLZOCXBDSA-N 0 3 313.397 3.562 20 10 DHCDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])o1 ZINC000741259722 1020995856 /nfs/dbraw/zinc/99/58/56/1020995856.db2.gz AJTHSNCUJKXVRP-IBGZPJMESA-N 0 3 323.392 3.784 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)CCc2ccc(C)o2)c([O-])c1 ZINC000742380922 1021108291 /nfs/dbraw/zinc/10/82/91/1021108291.db2.gz SINYFJYTJDDLQU-CYBMUJFWSA-N 0 3 303.402 3.803 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2ccccc2n1 ZINC000742371343 1021113267 /nfs/dbraw/zinc/11/32/67/1021113267.db2.gz RLBNJJNSWNYNLD-UHFFFAOYSA-N 0 3 305.425 3.899 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1cc(F)ccc1[O-] ZINC000176981546 1021189456 /nfs/dbraw/zinc/18/94/56/1021189456.db2.gz QPXKYWJQGKAZIE-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000176981876 1021189831 /nfs/dbraw/zinc/18/98/31/1021189831.db2.gz NLZWREZAWJTYKB-LBPRGKRZSA-N 0 3 313.376 3.540 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000176983401 1021192224 /nfs/dbraw/zinc/19/22/24/1021192224.db2.gz GLSQLUMJYUDWPG-VXGBXAGGSA-N 0 3 317.360 3.714 20 10 DHCDHN CCOc1ccc(C[NH2+]CCc2ccnc3ccccc23)c([O-])c1 ZINC000850356170 1021485822 /nfs/dbraw/zinc/48/58/22/1021485822.db2.gz PLGJTEOHZQTELL-UHFFFAOYSA-N 0 3 322.408 3.671 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000695087642 1021512649 /nfs/dbraw/zinc/51/26/49/1021512649.db2.gz KGFOWIYJLUTVGT-LLVKDONJSA-N 0 3 305.752 3.722 20 10 DHCDHN COc1cccc(C2(NCc3ccc4c(c3)CCO4)CCC2)c1 ZINC000850405552 1021514249 /nfs/dbraw/zinc/51/42/49/1021514249.db2.gz TUPKFQJWFAOGSZ-UHFFFAOYSA-N 0 3 309.409 3.799 20 10 DHCDHN CC(C)[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000850414394 1021520428 /nfs/dbraw/zinc/52/04/28/1021520428.db2.gz ZRGLPYRRBZRZHR-MSOLQXFVSA-N 0 3 319.832 3.893 20 10 DHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486774 1021561560 /nfs/dbraw/zinc/56/15/60/1021561560.db2.gz JYRMKXYEHHGCIN-ZBFHGGJFSA-N 0 3 314.429 3.835 20 10 DHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850507865 1021567002 /nfs/dbraw/zinc/56/70/02/1021567002.db2.gz KNJPRPIDROCUJC-MWLCHTKSSA-N 0 3 312.207 3.533 20 10 DHCDHN COC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1 ZINC000850514645 1021570419 /nfs/dbraw/zinc/57/04/19/1021570419.db2.gz ONAQCXPKDPIHGX-YVEFUNNKSA-N 0 3 319.376 3.578 20 10 DHCDHN C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000850523103 1021574847 /nfs/dbraw/zinc/57/48/47/1021574847.db2.gz YWPTYANHLILPSM-RYUDHWBXSA-N 0 3 307.340 3.789 20 10 DHCDHN Cn1cc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000850533730 1021587227 /nfs/dbraw/zinc/58/72/27/1021587227.db2.gz BVFOUJRGZOVOFD-QGZVFWFLSA-N 0 3 306.409 3.704 20 10 DHCDHN CC[C@@H](NCc1c(C2CC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850533716 1021587516 /nfs/dbraw/zinc/58/75/16/1021587516.db2.gz BMTAUBOCQZQMJS-GOSISDBHSA-N 0 3 312.461 3.604 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000850537873 1021594043 /nfs/dbraw/zinc/59/40/43/1021594043.db2.gz ASYDIFTXLGSBTN-ZFWWWQNUSA-N 0 3 306.425 3.589 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1[O-] ZINC000850541732 1021596392 /nfs/dbraw/zinc/59/63/92/1021596392.db2.gz ZJPRMBJYJAXOFI-RYQLBKOJSA-N 0 3 313.445 3.578 20 10 DHCDHN CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000850557891 1021603461 /nfs/dbraw/zinc/60/34/61/1021603461.db2.gz ZYFGGIDFGQTVTI-AHRSYUTCSA-N 0 3 311.425 3.727 20 10 DHCDHN CC(C)[C@H](O)[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000850557894 1021604316 /nfs/dbraw/zinc/60/43/16/1021604316.db2.gz ZYFGGIDFGQTVTI-VDGAXYAQSA-N 0 3 311.425 3.727 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(OC)c2Cl)c1 ZINC000851900547 1022035270 /nfs/dbraw/zinc/03/52/70/1022035270.db2.gz VGZQXULRQNCART-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000920206562 1022077593 /nfs/dbraw/zinc/07/75/93/1022077593.db2.gz NZPFSMBOOIHANM-UHFFFAOYSA-N 0 3 303.475 3.928 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccc(OC)cc1)c1ccccc1[O-] ZINC000183325771 1022108537 /nfs/dbraw/zinc/10/85/37/1022108537.db2.gz SKCCUDKLRJWSEO-QGZVFWFLSA-N 0 3 301.386 3.521 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccccc1[O-] ZINC000183428291 1022142974 /nfs/dbraw/zinc/14/29/74/1022142974.db2.gz KPYWZRIXGJFLGM-CQSZACIVSA-N 0 3 312.413 3.959 20 10 DHCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c2ccccc2n1 ZINC000183534323 1022174335 /nfs/dbraw/zinc/17/43/35/1022174335.db2.gz JWMLPHQOZIADMI-ZDUSSCGKSA-N 0 3 308.381 3.800 20 10 DHCDHN Cc1cc(O)c(CNCc2cnccc2C(F)(F)F)cc1C ZINC000853095631 1022220100 /nfs/dbraw/zinc/22/01/00/1022220100.db2.gz QYHPLKOVVOXLKS-UHFFFAOYSA-N 0 3 310.319 3.713 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241906 1022242442 /nfs/dbraw/zinc/24/24/42/1022242442.db2.gz YSFTWMVCEBYGTK-MAUKXSAKSA-N 0 3 320.452 3.694 20 10 DHCDHN Cc1ccc([C@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852138 1022337730 /nfs/dbraw/zinc/33/77/30/1022337730.db2.gz JIPIOCXGEAONSD-YWZLYKJASA-N 0 3 321.424 3.874 20 10 DHCDHN C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183444255 1022346073 /nfs/dbraw/zinc/34/60/73/1022346073.db2.gz PUGIAUFMCRSUNA-VXGBXAGGSA-N 0 3 307.340 3.789 20 10 DHCDHN C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1[O-] ZINC000183414792 1022347530 /nfs/dbraw/zinc/34/75/30/1022347530.db2.gz YBPMOLZCQPTEET-MRXNPFEDSA-N 0 3 311.425 3.791 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([O-])c1 ZINC000363866342 1022353717 /nfs/dbraw/zinc/35/37/17/1022353717.db2.gz IAAXTJWHRARZDF-HNNXBMFYSA-N 0 3 319.445 3.572 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c([O-])c1 ZINC000363866342 1022353730 /nfs/dbraw/zinc/35/37/30/1022353730.db2.gz IAAXTJWHRARZDF-HNNXBMFYSA-N 0 3 319.445 3.572 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]CCSC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756441067 1022376811 /nfs/dbraw/zinc/37/68/11/1022376811.db2.gz HIHVGRLLPOUOKG-IONNQARKSA-N 0 3 309.328 3.922 20 10 DHCDHN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185046479 1022453223 /nfs/dbraw/zinc/45/32/23/1022453223.db2.gz RCXZWUKEXSLHAM-LBPRGKRZSA-N 0 3 304.365 3.564 20 10 DHCDHN O=C(C[C@H]1CCC[N@H+]1Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000179586911 1022474756 /nfs/dbraw/zinc/47/47/56/1022474756.db2.gz CGPXUMMEOZWVED-QGZVFWFLSA-N 0 3 313.372 3.769 20 10 DHCDHN O=C(C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000179586911 1022474760 /nfs/dbraw/zinc/47/47/60/1022474760.db2.gz CGPXUMMEOZWVED-QGZVFWFLSA-N 0 3 313.372 3.769 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cnn2ccccc12)C1CCCC1 ZINC000179589125 1022475382 /nfs/dbraw/zinc/47/53/82/1022475382.db2.gz FLQRPXLZSIQDCF-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnn2ccccc12)C1CCCC1 ZINC000179589125 1022475386 /nfs/dbraw/zinc/47/53/86/1022475386.db2.gz FLQRPXLZSIQDCF-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1[O-] ZINC000272842040 1022516479 /nfs/dbraw/zinc/51/64/79/1022516479.db2.gz JVEKPVSEPHHLOL-ZWOKBUDYSA-N 0 3 324.468 3.953 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc2ccccc2c1[O-] ZINC000273303139 1022534987 /nfs/dbraw/zinc/53/49/87/1022534987.db2.gz CDBBVWRHUOEGFW-JVPBZIDWSA-N 0 3 310.441 3.823 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c([O-])c1 ZINC000186001016 1022541662 /nfs/dbraw/zinc/54/16/62/1022541662.db2.gz NEFJIRXASFHOLH-LBPRGKRZSA-N 0 3 307.340 3.708 20 10 DHCDHN Cc1cccc(NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000180190370 1022657003 /nfs/dbraw/zinc/65/70/03/1022657003.db2.gz RXAXPVUEHYADLV-UHFFFAOYSA-N 0 3 314.404 3.916 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCC[C@@H]1CCO1)Cc1ccco1 ZINC000876511081 1033079530 /nfs/dbraw/zinc/07/95/30/1033079530.db2.gz VUZGNPRYKKKFSC-MRXNPFEDSA-N 0 3 301.386 3.557 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCC[C@@H]1CCO1)Cc1ccco1 ZINC000876511081 1033079546 /nfs/dbraw/zinc/07/95/46/1033079546.db2.gz VUZGNPRYKKKFSC-MRXNPFEDSA-N 0 3 301.386 3.557 20 10 DHCDHN Cc1cc(CN(Cc2ccccc2O)C2CCCCC2)nn1C ZINC000767892724 1022831945 /nfs/dbraw/zinc/83/19/45/1022831945.db2.gz LKOGLCWCDATCOM-UHFFFAOYSA-N 0 3 313.445 3.769 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000768162060 1022907341 /nfs/dbraw/zinc/90/73/41/1022907341.db2.gz KGVAPDDWDAUUQL-FUHWJXTLSA-N 0 3 301.430 3.730 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000768162060 1022907343 /nfs/dbraw/zinc/90/73/43/1022907343.db2.gz KGVAPDDWDAUUQL-FUHWJXTLSA-N 0 3 301.430 3.730 20 10 DHCDHN COc1ccc(F)c(CNCc2cc(Cl)cc(C)c2O)c1 ZINC000857057967 1022936333 /nfs/dbraw/zinc/93/63/33/1022936333.db2.gz KTZOPUJPHYFWAZ-UHFFFAOYSA-N 0 3 309.768 3.792 20 10 DHCDHN Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000876558061 1033093311 /nfs/dbraw/zinc/09/33/11/1033093311.db2.gz HWVNLAOMCKOQDE-UHFFFAOYSA-N 0 3 319.408 3.866 20 10 DHCDHN Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000876558061 1033093324 /nfs/dbraw/zinc/09/33/24/1033093324.db2.gz HWVNLAOMCKOQDE-UHFFFAOYSA-N 0 3 319.408 3.866 20 10 DHCDHN C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1CO ZINC000857061284 1022940327 /nfs/dbraw/zinc/94/03/27/1022940327.db2.gz NNNZKCDVUUCCDL-HNAYVOBHSA-N 0 3 311.425 3.510 20 10 DHCDHN C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1CO ZINC000857061284 1022940339 /nfs/dbraw/zinc/94/03/39/1022940339.db2.gz NNNZKCDVUUCCDL-HNAYVOBHSA-N 0 3 311.425 3.510 20 10 DHCDHN COc1cc(CN2CCc3sccc3[C@@H]2C)c(O)cc1C ZINC000768441460 1022969069 /nfs/dbraw/zinc/96/90/69/1022969069.db2.gz IZSUPZPFLJBGCS-LBPRGKRZSA-N 0 3 303.427 3.890 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccccc1[O-] ZINC000364365931 1023087444 /nfs/dbraw/zinc/08/74/44/1023087444.db2.gz UBFLXWNUMFENHF-IAGOWNOFSA-N 0 3 313.397 3.965 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1F ZINC000769228992 1023103501 /nfs/dbraw/zinc/10/35/01/1023103501.db2.gz HOHPQSAMKZBBJA-KRWDZBQOSA-N 0 3 313.420 3.578 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000769327027 1023123417 /nfs/dbraw/zinc/12/34/17/1023123417.db2.gz SXJAKZUEUAXTRR-HXUWFJFHSA-N 0 3 322.452 3.728 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000769327027 1023123422 /nfs/dbraw/zinc/12/34/22/1023123422.db2.gz SXJAKZUEUAXTRR-HXUWFJFHSA-N 0 3 322.452 3.728 20 10 DHCDHN CCOc1ccc(C[N@H+](CCc2nccs2)C(C)C)c([O-])c1 ZINC000769517110 1023171388 /nfs/dbraw/zinc/17/13/88/1023171388.db2.gz PBLIIRXGGNECED-UHFFFAOYSA-N 0 3 320.458 3.701 20 10 DHCDHN CCOc1ccc(C[N@@H+](CCc2nccs2)C(C)C)c([O-])c1 ZINC000769517110 1023171392 /nfs/dbraw/zinc/17/13/92/1023171392.db2.gz PBLIIRXGGNECED-UHFFFAOYSA-N 0 3 320.458 3.701 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000769537190 1023176254 /nfs/dbraw/zinc/17/62/54/1023176254.db2.gz IOKVIPNBQJFAMO-GOSISDBHSA-N 0 3 314.429 3.857 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000769537190 1023176259 /nfs/dbraw/zinc/17/62/59/1023176259.db2.gz IOKVIPNBQJFAMO-GOSISDBHSA-N 0 3 314.429 3.857 20 10 DHCDHN C[C@H](N[C@@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986273 1023255724 /nfs/dbraw/zinc/25/57/24/1023255724.db2.gz HRLNLHSZNDWPLM-SJCJKPOMSA-N 0 3 317.454 3.717 20 10 DHCDHN C[C@@H](N[C@@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986272 1023256262 /nfs/dbraw/zinc/25/62/62/1023256262.db2.gz HRLNLHSZNDWPLM-PXAZEXFGSA-N 0 3 317.454 3.717 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000770509287 1023317007 /nfs/dbraw/zinc/31/70/07/1023317007.db2.gz KPTCAVHIPURBIC-UHFFFAOYSA-N 0 3 322.452 3.667 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000771384966 1023431187 /nfs/dbraw/zinc/43/11/87/1023431187.db2.gz RJCABOIAQAVGLZ-HNNXBMFYSA-N 0 3 309.457 3.932 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000876770211 1033140814 /nfs/dbraw/zinc/14/08/14/1033140814.db2.gz KAUUVSCGLDJAHR-SFHVURJKSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000876770211 1033140816 /nfs/dbraw/zinc/14/08/16/1033140816.db2.gz KAUUVSCGLDJAHR-SFHVURJKSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1c([C@@H](C)NCc2ccc3c(c2)CCO3)cnn1C(C)(C)C ZINC000786902638 1023735665 /nfs/dbraw/zinc/73/56/65/1023735665.db2.gz GLPPJULHVJEHRI-CYBMUJFWSA-N 0 3 313.445 3.732 20 10 DHCDHN COC[C@H](NCc1cccc(C)c1O)c1ccc(Cl)cc1 ZINC000194549218 1024005853 /nfs/dbraw/zinc/00/58/53/1024005853.db2.gz QWLOXCVMXKUUKC-INIZCTEOSA-N 0 3 305.805 3.831 20 10 DHCDHN Cc1ccc(CNCc2cccnc2OC2CCCC2)c(O)c1 ZINC000876929301 1033183926 /nfs/dbraw/zinc/18/39/26/1033183926.db2.gz CIILNPNGJWJOOX-UHFFFAOYSA-N 0 3 312.413 3.707 20 10 DHCDHN COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000876931382 1033185903 /nfs/dbraw/zinc/18/59/03/1033185903.db2.gz NETDLENTWIIWCP-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN Cc1cccc(CN2CCN(c3ccccc3F)C[C@H]2C)c1O ZINC000789590006 1024122156 /nfs/dbraw/zinc/12/21/56/1024122156.db2.gz OWAZNHCJOXNBAZ-OAHLLOKOSA-N 0 3 314.404 3.550 20 10 DHCDHN COc1cccc(CN(Cc2cccc(F)c2)C2CC2)c1O ZINC000130150531 1024133391 /nfs/dbraw/zinc/13/33/91/1024133391.db2.gz VKLRBSZBENWQDF-UHFFFAOYSA-N 0 3 301.361 3.705 20 10 DHCDHN CCn1cc([C@H](C)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000268875949 1024184305 /nfs/dbraw/zinc/18/43/05/1024184305.db2.gz DUJLGOLAOKOOKE-INIZCTEOSA-N 0 3 312.461 3.744 20 10 DHCDHN C[C@H](NCc1cccc(Cl)c1N)c1ccc(N(C)C)cc1 ZINC000883092016 1024238574 /nfs/dbraw/zinc/23/85/74/1024238574.db2.gz CVVCFZDCQVCCEK-LBPRGKRZSA-N 0 3 303.837 3.839 20 10 DHCDHN C[C@@H]1CCCC[N@@H+]1CCCNCc1c([O-])ccc(Cl)c1F ZINC000790947213 1024402885 /nfs/dbraw/zinc/40/28/85/1024402885.db2.gz MCJRJQNUWSIEHP-GFCCVEGCSA-N 0 3 314.832 3.539 20 10 DHCDHN C[C@@H]1CCCC[N@H+]1CCCNCc1c([O-])ccc(Cl)c1F ZINC000790947213 1024402889 /nfs/dbraw/zinc/40/28/89/1024402889.db2.gz MCJRJQNUWSIEHP-GFCCVEGCSA-N 0 3 314.832 3.539 20 10 DHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC001137188873 1024428878 /nfs/dbraw/zinc/42/88/78/1024428878.db2.gz VXXGDWPCDHVXHH-UHFFFAOYSA-N 0 3 308.381 3.668 20 10 DHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC001137188873 1024428887 /nfs/dbraw/zinc/42/88/87/1024428887.db2.gz VXXGDWPCDHVXHH-UHFFFAOYSA-N 0 3 308.381 3.668 20 10 DHCDHN C[C@@H]1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271339548 1024490905 /nfs/dbraw/zinc/49/09/05/1024490905.db2.gz GMBABBKRRNGSRF-HZPDHXFCSA-N 0 3 311.425 3.964 20 10 DHCDHN CCc1ccccc1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228675326 1024604953 /nfs/dbraw/zinc/60/49/53/1024604953.db2.gz UWHBEIVFNLHCQW-UHFFFAOYSA-N 0 3 305.805 3.906 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000877068361 1033227155 /nfs/dbraw/zinc/22/71/55/1033227155.db2.gz POFWPFGZUMYTHW-PIGZYNQJSA-N 0 3 323.795 3.705 20 10 DHCDHN CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001170417676 1024767800 /nfs/dbraw/zinc/76/78/00/1024767800.db2.gz MHYIZZSQZBGQFG-DZGCQCFKSA-N 0 3 313.397 3.793 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc[nH]1 ZINC000793032329 1024866140 /nfs/dbraw/zinc/86/61/40/1024866140.db2.gz ZTCJEBJADHQDTD-LLVKDONJSA-N 0 3 311.351 3.950 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000877116529 1033244877 /nfs/dbraw/zinc/24/48/77/1033244877.db2.gz PMBFSRISKQJIPK-GOSISDBHSA-N 0 3 313.441 3.593 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000793255791 1024966918 /nfs/dbraw/zinc/96/69/18/1024966918.db2.gz BOEXPWIFBBQKMC-QGZVFWFLSA-N 0 3 309.409 3.528 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793353283 1024998830 /nfs/dbraw/zinc/99/88/30/1024998830.db2.gz QYVJAVHJKUKSCO-ZBFHGGJFSA-N 0 3 315.388 3.966 20 10 DHCDHN COc1ccc(C[NH2+]Cc2ccc3nc(C)sc3c2)c([O-])c1 ZINC000793387307 1025027218 /nfs/dbraw/zinc/02/72/18/1025027218.db2.gz CKZFVGAEQGQHSQ-UHFFFAOYSA-N 0 3 314.410 3.609 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2F)c([O-])c1 ZINC000793385988 1025030103 /nfs/dbraw/zinc/03/01/03/1025030103.db2.gz FMYLHRHGROQDHC-ZDUSSCGKSA-N 0 3 303.377 3.651 20 10 DHCDHN COc1cc(O)c(CN(C)Cc2cccc(Cl)c2)cc1OC ZINC000159486918 1025061755 /nfs/dbraw/zinc/06/17/55/1025061755.db2.gz UKJJXZFWMFDHLW-UHFFFAOYSA-N 0 3 321.804 3.695 20 10 DHCDHN CCOc1cccc(CN2CCC(CC(F)(F)F)CC2)c1O ZINC000793620893 1025136045 /nfs/dbraw/zinc/13/60/45/1025136045.db2.gz SQFLVBJMNOLHLK-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000238098662 1025487302 /nfs/dbraw/zinc/48/73/02/1025487302.db2.gz LDHNSPAJVIKJSG-HXUWFJFHSA-N 0 3 311.425 3.966 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(C)cc1[O-] ZINC000279933181 1025511096 /nfs/dbraw/zinc/51/10/96/1025511096.db2.gz AWHMHYXNNHQRIP-SJLPKXTDSA-N 0 3 303.377 3.614 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000877352826 1033288531 /nfs/dbraw/zinc/28/85/31/1033288531.db2.gz FBCMJLJTUGPPDT-UHFFFAOYSA-N 0 3 311.425 3.621 20 10 DHCDHN COc1cc(C)cc(C[NH2+][C@H](C)c2ccccc2[O-])c1OC ZINC000886186122 1025552213 /nfs/dbraw/zinc/55/22/13/1025552213.db2.gz QKZSUHDDCWLZOW-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])c2ccccc21 ZINC000359999632 1025734846 /nfs/dbraw/zinc/73/48/46/1025734846.db2.gz OTGWUXARXLYHTQ-SUMWQHHRSA-N 0 3 310.397 3.541 20 10 DHCDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000248385371 1025954156 /nfs/dbraw/zinc/95/41/56/1025954156.db2.gz IDXMZQYBETVGKC-SNUQEOBHSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c([O-])c1 ZINC000289827478 1026189454 /nfs/dbraw/zinc/18/94/54/1026189454.db2.gz PFCDDFNKUOYFLU-QSFXBCCZSA-N 0 3 311.425 3.517 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1[O-] ZINC000808680580 1026347627 /nfs/dbraw/zinc/34/76/27/1026347627.db2.gz MNTHXQLKKLXSFP-NSHDSACASA-N 0 3 323.795 3.836 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2N(C)C)c1[O-] ZINC000808676213 1026353673 /nfs/dbraw/zinc/35/36/73/1026353673.db2.gz HMTGTSZCYHVMGV-LBPRGKRZSA-N 0 3 319.836 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1[O-] ZINC000808675365 1026354322 /nfs/dbraw/zinc/35/43/22/1026354322.db2.gz DQORIXCLMYVXIP-NHYWBVRUSA-N 0 3 319.836 3.816 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1[O-] ZINC000808672157 1026354578 /nfs/dbraw/zinc/35/45/78/1026354578.db2.gz FJYRLOXRLLNOJE-MLGOLLRUSA-N 0 3 305.805 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(CO)cc2)c1[O-] ZINC000808709726 1026361021 /nfs/dbraw/zinc/36/10/21/1026361021.db2.gz HOVXOITYJAIELD-ZDUSSCGKSA-N 0 3 319.832 3.740 20 10 DHCDHN COc1cncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000808710550 1026361316 /nfs/dbraw/zinc/36/13/16/1026361316.db2.gz KQDJZEUTNNJOQI-UHFFFAOYSA-N 0 3 313.445 3.567 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1[O-] ZINC000808715636 1026362048 /nfs/dbraw/zinc/36/20/48/1026362048.db2.gz WSCQGVMUQIIVAQ-SGIREYDYSA-N 0 3 309.837 3.962 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)c1[O-] ZINC000808697677 1026373644 /nfs/dbraw/zinc/37/36/44/1026373644.db2.gz QWTHPIDUCKEFKI-YGRLFVJLSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1ccccc1[C@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000809703674 1026599754 /nfs/dbraw/zinc/59/97/54/1026599754.db2.gz SKSRGLAADRMOKG-HXUWFJFHSA-N 0 3 311.425 3.646 20 10 DHCDHN CC[C@H](NCc1cn2c(cccc2C)n1)c1ccc(C)cc1O ZINC000280149242 1026600444 /nfs/dbraw/zinc/60/04/44/1026600444.db2.gz QCJPWCUJEDAOMI-KRWDZBQOSA-N 0 3 309.413 3.898 20 10 DHCDHN CC(C)C[C@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809767536 1026606623 /nfs/dbraw/zinc/60/66/23/1026606623.db2.gz NLQVGMQQRKHZIK-LJQANCHMSA-N 0 3 313.441 3.898 20 10 DHCDHN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809767536 1026606629 /nfs/dbraw/zinc/60/66/29/1026606629.db2.gz NLQVGMQQRKHZIK-LJQANCHMSA-N 0 3 313.441 3.898 20 10 DHCDHN CCOc1c(Cl)cccc1CNCc1cccc(OC)c1O ZINC000809739655 1026611409 /nfs/dbraw/zinc/61/14/09/1026611409.db2.gz ALVHYXMUPBEAPJ-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN Cc1nc(C)c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000809945908 1026643648 /nfs/dbraw/zinc/64/36/48/1026643648.db2.gz GVMMHLIUHYXDAX-UHFFFAOYSA-N 0 3 300.402 3.942 20 10 DHCDHN Cc1nc(C)c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000809945908 1026643651 /nfs/dbraw/zinc/64/36/51/1026643651.db2.gz GVMMHLIUHYXDAX-UHFFFAOYSA-N 0 3 300.402 3.942 20 10 DHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)cc1O ZINC000810218384 1026709430 /nfs/dbraw/zinc/70/94/30/1026709430.db2.gz IQILXSSJKFDIPQ-CQSZACIVSA-N 0 3 314.429 3.626 20 10 DHCDHN CCCN(CC)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000810261838 1026721222 /nfs/dbraw/zinc/72/12/22/1026721222.db2.gz KSCKOWYKBGVYQH-NFAWXSAZSA-N 0 3 308.441 3.790 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000812716110 1027372601 /nfs/dbraw/zinc/37/26/01/1027372601.db2.gz HTUYNXMMWNWUFN-FQEVSTJZSA-N 0 3 310.441 3.934 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCCF)c1[O-] ZINC000812737810 1027382866 /nfs/dbraw/zinc/38/28/66/1027382866.db2.gz ZQUUYZLQXJLHIS-JTQLQIEISA-N 0 3 304.203 3.863 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000295812202 1027438991 /nfs/dbraw/zinc/43/89/91/1027438991.db2.gz CUHMOPUSBYHZDD-GOSISDBHSA-N 0 3 308.425 3.638 20 10 DHCDHN C[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCc2sccc21 ZINC000296230421 1027581743 /nfs/dbraw/zinc/58/17/43/1027581743.db2.gz AGPUGLYOLGWZSH-KBXCAEBGSA-N 0 3 315.438 3.519 20 10 DHCDHN COCC[N@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1ccccc1 ZINC000778996414 1027735829 /nfs/dbraw/zinc/73/58/29/1027735829.db2.gz OCMDQJIOCVTALD-CQSZACIVSA-N 0 3 303.377 3.741 20 10 DHCDHN COCC[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1ccccc1 ZINC000778996414 1027735846 /nfs/dbraw/zinc/73/58/46/1027735846.db2.gz OCMDQJIOCVTALD-CQSZACIVSA-N 0 3 303.377 3.741 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000813883492 1027750391 /nfs/dbraw/zinc/75/03/91/1027750391.db2.gz NRKMDCHWOMYVFA-PBHICJAKSA-N 0 3 314.404 3.851 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000813883849 1027751577 /nfs/dbraw/zinc/75/15/77/1027751577.db2.gz OWCQJANXOLSYAU-OCCSQVGLSA-N 0 3 318.367 3.600 20 10 DHCDHN CCOc1ccc(CNCc2ccc(Cl)cc2F)c(O)c1 ZINC000778181723 1027777451 /nfs/dbraw/zinc/77/74/51/1027777451.db2.gz NPWSRUMRZBSXNC-UHFFFAOYSA-N 0 3 309.768 3.873 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000365614508 1027983289 /nfs/dbraw/zinc/98/32/89/1027983289.db2.gz UMLMTZRKEKHVDW-DZGCQCFKSA-N 0 3 305.809 3.640 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000365614508 1027983300 /nfs/dbraw/zinc/98/33/00/1027983300.db2.gz UMLMTZRKEKHVDW-DZGCQCFKSA-N 0 3 305.809 3.640 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000367376824 1028174397 /nfs/dbraw/zinc/17/43/97/1028174397.db2.gz DEERMQLXGBADIW-APWZRJJASA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000367376824 1028174412 /nfs/dbraw/zinc/17/44/12/1028174412.db2.gz DEERMQLXGBADIW-APWZRJJASA-N 0 3 319.445 3.503 20 10 DHCDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)cc1 ZINC000780793965 1028183775 /nfs/dbraw/zinc/18/37/75/1028183775.db2.gz ZWXZOGOGVQBXGR-GXTWGEPZSA-N 0 3 300.368 3.915 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000779088278 1028212521 /nfs/dbraw/zinc/21/25/21/1028212521.db2.gz SBGQYGADIVJJQK-QGZVFWFLSA-N 0 3 303.402 3.652 20 10 DHCDHN COc1ccc(C2(NCc3ccc(N(C)C)c(C)c3)CC2)cc1 ZINC000815083374 1028355727 /nfs/dbraw/zinc/35/57/27/1028355727.db2.gz OKYTVFFDYDZMHO-UHFFFAOYSA-N 0 3 310.441 3.849 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369878255 1028542845 /nfs/dbraw/zinc/54/28/45/1028542845.db2.gz OWVHLWKADCBOTI-PKOBYXMFSA-N 0 3 315.388 3.576 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369878255 1028542857 /nfs/dbraw/zinc/54/28/57/1028542857.db2.gz OWVHLWKADCBOTI-PKOBYXMFSA-N 0 3 315.388 3.576 20 10 DHCDHN CC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577465 1028550910 /nfs/dbraw/zinc/55/09/10/1028550910.db2.gz QVMNSCKOXNGSRG-QUCCMNQESA-N 0 3 313.441 3.817 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000815577949 1028552027 /nfs/dbraw/zinc/55/20/27/1028552027.db2.gz DKLQDMNSBAYXFQ-GOSISDBHSA-N 0 3 311.425 3.571 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCn1cccn1 ZINC000815591142 1028559639 /nfs/dbraw/zinc/55/96/39/1028559639.db2.gz YJOQBVRQTHAGFU-LJQANCHMSA-N 0 3 321.424 3.552 20 10 DHCDHN Cc1n[nH]cc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595587 1028561778 /nfs/dbraw/zinc/56/17/78/1028561778.db2.gz VXZALVVCZMXJER-LJQANCHMSA-N 0 3 321.424 3.887 20 10 DHCDHN CCCN(Cc1cc(-c2cccnc2)n[nH]1)Cc1ccccc1O ZINC000372409886 1028848334 /nfs/dbraw/zinc/84/83/34/1028848334.db2.gz MFUFGYSGFIOWFV-UHFFFAOYSA-N 0 3 322.412 3.590 20 10 DHCDHN CCC[N@H+](Cc1cc(-c2cccnc2)n[nH]1)Cc1ccccc1[O-] ZINC000372409886 1028848348 /nfs/dbraw/zinc/84/83/48/1028848348.db2.gz MFUFGYSGFIOWFV-UHFFFAOYSA-N 0 3 322.412 3.590 20 10 DHCDHN CCC[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)Cc1ccccc1[O-] ZINC000372409886 1028848367 /nfs/dbraw/zinc/84/83/67/1028848367.db2.gz MFUFGYSGFIOWFV-UHFFFAOYSA-N 0 3 322.412 3.590 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@H](c2cccs2)C1 ZINC000372518971 1028867237 /nfs/dbraw/zinc/86/72/37/1028867237.db2.gz XOUAPYURVFTGEM-HOCLYGCPSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000372518971 1028867260 /nfs/dbraw/zinc/86/72/60/1028867260.db2.gz XOUAPYURVFTGEM-HOCLYGCPSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000372518971 1028867282 /nfs/dbraw/zinc/86/72/82/1028867282.db2.gz XOUAPYURVFTGEM-HOCLYGCPSA-N 0 3 303.427 3.978 20 10 DHCDHN Cc1sccc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000816481542 1028894189 /nfs/dbraw/zinc/89/41/89/1028894189.db2.gz ZUKFHYHRJULVDM-QGZVFWFLSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1sccc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000816481542 1028894200 /nfs/dbraw/zinc/89/42/00/1028894200.db2.gz ZUKFHYHRJULVDM-QGZVFWFLSA-N 0 3 317.454 3.943 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000816650809 1028977386 /nfs/dbraw/zinc/97/73/86/1028977386.db2.gz DIBWWHPQWHQVDE-UHFFFAOYSA-N 0 3 315.266 3.562 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666367 1028986301 /nfs/dbraw/zinc/98/63/01/1028986301.db2.gz LNNPJZXRPKQCFA-UXHICEINSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666367 1028986330 /nfs/dbraw/zinc/98/63/30/1028986330.db2.gz LNNPJZXRPKQCFA-UXHICEINSA-N 0 3 309.409 3.689 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000155230841 1029204667 /nfs/dbraw/zinc/20/46/67/1029204667.db2.gz KLHCMJVSJJZMAF-MSOLQXFVSA-N 0 3 316.420 3.875 20 10 DHCDHN CC[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1[O-] ZINC000155265801 1029216783 /nfs/dbraw/zinc/21/67/83/1029216783.db2.gz SMGFOLPFTCLBON-INIZCTEOSA-N 0 3 316.470 3.553 20 10 DHCDHN CCCNCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817963054 1029301825 /nfs/dbraw/zinc/30/18/25/1029301825.db2.gz RGHXBNDYTFZORJ-ZDUSSCGKSA-N 0 3 305.249 3.739 20 10 DHCDHN CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817960626 1029302317 /nfs/dbraw/zinc/30/23/17/1029302317.db2.gz OZKTTZCJZWTART-VIFPVBQESA-N 0 3 305.249 3.867 20 10 DHCDHN CC[NH2+][C@H](C)CN[C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972492 1029311672 /nfs/dbraw/zinc/31/16/72/1029311672.db2.gz LZGBNDOFEOQUHY-SKDRFNHKSA-N 0 3 305.249 3.738 20 10 DHCDHN CC[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984371 1029320285 /nfs/dbraw/zinc/32/02/85/1029320285.db2.gz RKAVFDSGEQMVLF-GWCFXTLKSA-N 0 3 317.260 3.882 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccccc1[O-] ZINC000156082985 1029374571 /nfs/dbraw/zinc/37/45/71/1029374571.db2.gz CPBRISLMILGLRR-ZBFHGGJFSA-N 0 3 315.413 3.909 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccccc1[O-] ZINC000156083208 1029374801 /nfs/dbraw/zinc/37/48/01/1029374801.db2.gz CPBRISLMILGLRR-HOCLYGCPSA-N 0 3 315.413 3.909 20 10 DHCDHN CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000818357139 1029384350 /nfs/dbraw/zinc/38/43/50/1029384350.db2.gz YNMZDBBMYBSEND-AWEZNQCLSA-N 0 3 319.445 3.727 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(C(F)(F)F)cc1[O-] ZINC000818616364 1029420970 /nfs/dbraw/zinc/42/09/70/1029420970.db2.gz VJVQYNLXYAVOSH-MGPQQGTHSA-N 0 3 316.367 3.722 20 10 DHCDHN C[C@@H](NCc1ccc(C(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000865531329 1029903090 /nfs/dbraw/zinc/90/30/90/1029903090.db2.gz IGYACVVQZRAHCI-GFCCVEGCSA-N 0 3 305.372 3.936 20 10 DHCDHN COc1cc(CNCc2ccc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000865723890 1029989299 /nfs/dbraw/zinc/98/92/99/1029989299.db2.gz VKUMBRFHHADSFA-UHFFFAOYSA-N 0 3 303.402 3.890 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccccc2OC)c1 ZINC000865822096 1030040418 /nfs/dbraw/zinc/04/04/18/1030040418.db2.gz XTINNUJLTITEJS-ZDUSSCGKSA-N 0 3 301.386 3.650 20 10 DHCDHN CCCN(CCC)c1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000865839924 1030056673 /nfs/dbraw/zinc/05/66/73/1030056673.db2.gz YCKCJIYNKCWWBH-INIZCTEOSA-N 0 3 314.477 3.897 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000866403928 1030282365 /nfs/dbraw/zinc/28/23/65/1030282365.db2.gz GFYRSSZIIDHNSR-NJAPINKUSA-N 0 3 301.361 3.712 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@](O)(CC)CCC(F)(F)F)c1ccccc1[O-] ZINC000897524564 1030617671 /nfs/dbraw/zinc/61/76/71/1030617671.db2.gz ZMLMNURNSZDGDQ-UKRRQHHQSA-N 0 3 319.367 3.917 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1OCCc2sccc21 ZINC000291981538 1030737729 /nfs/dbraw/zinc/73/77/29/1030737729.db2.gz VKMCDWDRSLDPKI-XWCIJXRUSA-N 0 3 303.427 3.807 20 10 DHCDHN CCC[N@H+](Cc1ccc(OC(C)=O)cc1)Cc1ccccc1[O-] ZINC000123036782 1030956335 /nfs/dbraw/zinc/95/63/35/1030956335.db2.gz QXHJRZBSTOJOOQ-UHFFFAOYSA-N 0 3 313.397 3.730 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OC(C)=O)cc1)Cc1ccccc1[O-] ZINC000123036782 1030956348 /nfs/dbraw/zinc/95/63/48/1030956348.db2.gz QXHJRZBSTOJOOQ-UHFFFAOYSA-N 0 3 313.397 3.730 20 10 DHCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)n1 ZINC000927054405 1031054272 /nfs/dbraw/zinc/05/42/72/1031054272.db2.gz XZCOJIIRTGRTQH-MCIONIFRSA-N 0 3 315.417 3.633 20 10 DHCDHN CCOc1cccc(CN[C@@H]2c3cccc(F)c3O[C@H]2C)c1O ZINC000360348249 1031389139 /nfs/dbraw/zinc/38/91/39/1031389139.db2.gz XBHGASWCSXQEKR-ZBEGNZNMSA-N 0 3 317.360 3.542 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2nccnc2C)c1O ZINC000872134050 1031527316 /nfs/dbraw/zinc/52/73/16/1031527316.db2.gz QUBKFYDKRMNBGB-CMPLNLGQSA-N 0 3 305.809 3.864 20 10 DHCDHN Cc1nccnc1[C@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000872134010 1031528820 /nfs/dbraw/zinc/52/88/20/1031528820.db2.gz QDLQRZKDCDMRCV-OCCSQVGLSA-N 0 3 311.429 3.781 20 10 DHCDHN C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000293602099 1031535424 /nfs/dbraw/zinc/53/54/24/1031535424.db2.gz DLKFZVJKRBBPON-NSHDSACASA-N 0 3 310.319 3.699 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1[O-] ZINC000293791887 1031627647 /nfs/dbraw/zinc/62/76/47/1031627647.db2.gz UJZWKVAVCFMWHW-SNVBAGLBSA-N 0 3 311.303 3.984 20 10 DHCDHN Cc1cc(O)c(CN2CCO[C@H](C(F)F)CC2)cc1C(C)C ZINC000872679341 1031642532 /nfs/dbraw/zinc/64/25/32/1031642532.db2.gz WESCLNABJDWIJD-INIZCTEOSA-N 0 3 313.388 3.680 20 10 DHCDHN CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000845928205 1031780594 /nfs/dbraw/zinc/78/05/94/1031780594.db2.gz AKTUVTFOBRMJFD-CQSZACIVSA-N 0 3 307.434 3.630 20 10 DHCDHN CCOc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c([O-])c1 ZINC000846031843 1031820974 /nfs/dbraw/zinc/82/09/74/1031820974.db2.gz CPIMRHZMQPXTJY-CABCVRRESA-N 0 3 301.789 3.585 20 10 DHCDHN CC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158423 1031888196 /nfs/dbraw/zinc/88/81/96/1031888196.db2.gz YGPGLSBFCCMPLN-QMTHXVAHSA-N 0 3 304.390 3.808 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146920 1031909113 /nfs/dbraw/zinc/90/91/13/1031909113.db2.gz SWOKXANHXLCXMC-STQMWFEESA-N 0 3 303.406 3.590 20 10 DHCDHN C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846207230 1031909499 /nfs/dbraw/zinc/90/94/99/1031909499.db2.gz MDHJHXAJNCPPCK-YJBOKZPZSA-N 0 3 321.424 3.760 20 10 DHCDHN CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000772950707 1032041903 /nfs/dbraw/zinc/04/19/03/1032041903.db2.gz ATPMDTYNRWPPHM-SFHVURJKSA-N 0 3 313.441 3.946 20 10 DHCDHN Cc1cccc(O)c1CN[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000877644624 1033395015 /nfs/dbraw/zinc/39/50/15/1033395015.db2.gz XFQGMLMYJHFYEB-QGZVFWFLSA-N 0 3 319.408 3.663 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000877673420 1033408379 /nfs/dbraw/zinc/40/83/79/1033408379.db2.gz GHSALYHKEFMVSA-UHFFFAOYSA-N 0 3 301.361 3.575 20 10 DHCDHN COc1ccccc1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000126645744 1033410219 /nfs/dbraw/zinc/41/02/19/1033410219.db2.gz QSGZDLLCMTWNNB-HNNXBMFYSA-N 0 3 310.441 3.928 20 10 DHCDHN CCOc1cc(CN[C@H](C)c2ccccc2O)c(F)cc1OC ZINC000877755441 1033433045 /nfs/dbraw/zinc/43/30/45/1033433045.db2.gz BFHITYNZNWXFOB-GFCCVEGCSA-N 0 3 319.376 3.789 20 10 DHCDHN Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757977 1033434078 /nfs/dbraw/zinc/43/40/78/1033434078.db2.gz BHDMGZLYPPLGKY-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H](C)c2ccccc2[O-])o1 ZINC000877757957 1033435369 /nfs/dbraw/zinc/43/53/69/1033435369.db2.gz ANWQEZHYSMODAM-ZDUSSCGKSA-N 0 3 311.385 3.545 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1[O-] ZINC000877757365 1033435482 /nfs/dbraw/zinc/43/54/82/1033435482.db2.gz UAPBCXOEYQIDPE-ZDUSSCGKSA-N 0 3 313.397 3.888 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c([O-])c1 ZINC000877812473 1033462123 /nfs/dbraw/zinc/46/21/23/1033462123.db2.gz ARLGEQOQSRBTOM-AWEZNQCLSA-N 0 3 318.442 3.545 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c([O-])c1 ZINC000877812473 1033462130 /nfs/dbraw/zinc/46/21/30/1033462130.db2.gz ARLGEQOQSRBTOM-AWEZNQCLSA-N 0 3 318.442 3.545 20 10 DHCDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001173234470 1033608083 /nfs/dbraw/zinc/60/80/83/1033608083.db2.gz OYXZHTIFEKZVAQ-OLZOCXBDSA-N 0 3 300.358 3.582 20 10 DHCDHN C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234131 1033792106 /nfs/dbraw/zinc/79/21/06/1033792106.db2.gz HOMYHNISYGJMRO-CQSZACIVSA-N 0 3 324.424 3.821 20 10 DHCDHN CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648848 1034072070 /nfs/dbraw/zinc/07/20/70/1034072070.db2.gz CDIDJOUAXPLAHL-CQSZACIVSA-N 0 3 313.397 3.808 20 10 DHCDHN CCOc1ccc(C(C)=O)cc1CN[C@@H](C)c1ccccc1O ZINC000879651835 1034073514 /nfs/dbraw/zinc/07/35/14/1034073514.db2.gz MASKCPPLTWUNEG-ZDUSSCGKSA-N 0 3 313.397 3.844 20 10 DHCDHN CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653300 1034073883 /nfs/dbraw/zinc/07/38/83/1034073883.db2.gz NJVLNAPDCUKUNK-AWEZNQCLSA-N 0 3 312.413 3.805 20 10 DHCDHN Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1C ZINC000879651108 1034074988 /nfs/dbraw/zinc/07/49/88/1034074988.db2.gz IQKVRDAJOALVAZ-LBPRGKRZSA-N 0 3 318.442 3.668 20 10 DHCDHN CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879653281 1034075305 /nfs/dbraw/zinc/07/53/05/1034075305.db2.gz MNOYSSSDRCQHSB-UONOGXRCSA-N 0 3 312.413 3.632 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccnn2C)ccc1N1CCCCC1 ZINC000879686542 1034087396 /nfs/dbraw/zinc/08/73/96/1034087396.db2.gz CUXLQLPDJYPMEM-MRXNPFEDSA-N 0 3 312.461 3.570 20 10 DHCDHN Cc1cc(CN[C@H]2CCCn3nccc32)ccc1N1CCCCC1 ZINC000879787010 1034124341 /nfs/dbraw/zinc/12/43/41/1034124341.db2.gz CBIBBKUWMGLFMK-SFHVURJKSA-N 0 3 324.472 3.807 20 10 DHCDHN CC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863547998 1034127108 /nfs/dbraw/zinc/12/71/08/1034127108.db2.gz SZDVOEKJWHVARL-KWBADKCTSA-N 0 3 317.260 3.880 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cnn(CC)c2)cc1 ZINC000178227964 1034220719 /nfs/dbraw/zinc/22/07/19/1034220719.db2.gz DULIUXOPGNMSEM-OAHLLOKOSA-N 0 3 300.450 3.600 20 10 DHCDHN CCN(Cc1[nH]nc2c1cccc2C)Cc1ccc(N(C)C)cc1 ZINC001137150771 1034275265 /nfs/dbraw/zinc/27/52/65/1034275265.db2.gz VZYGJAUBWBJTBD-UHFFFAOYSA-N 0 3 322.456 3.959 20 10 DHCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C(C)C ZINC000794647376 1034313200 /nfs/dbraw/zinc/31/32/00/1034313200.db2.gz OYXFFVMKRZQSAW-AUUYWEPGSA-N 0 3 303.446 3.823 20 10 DHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])cc1OC ZINC000179555403 1034315140 /nfs/dbraw/zinc/31/51/40/1034315140.db2.gz KYZCNFCYKASZQD-MRXNPFEDSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2[O-])cc1OC ZINC000179555403 1034315151 /nfs/dbraw/zinc/31/51/51/1034315151.db2.gz KYZCNFCYKASZQD-MRXNPFEDSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1[O-])O[C@@H](C)C2 ZINC000183406958 1034382610 /nfs/dbraw/zinc/38/26/10/1034382610.db2.gz BYPVVUVEMDBTGV-QWHCGFSZSA-N 0 3 313.397 3.575 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183415266 1034385071 /nfs/dbraw/zinc/38/50/71/1034385071.db2.gz CNZYAXPSDDGZKK-ZDUSSCGKSA-N 0 3 301.386 3.650 20 10 DHCDHN CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccco1 ZINC000183468438 1034391273 /nfs/dbraw/zinc/39/12/73/1034391273.db2.gz RVECJWVRCCSWLP-HOCLYGCPSA-N 0 3 302.418 3.719 20 10 DHCDHN COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccccc2O)cc1OC ZINC000183512939 1034392712 /nfs/dbraw/zinc/39/27/12/1034392712.db2.gz ZJBNOQFXDPKUKP-NWDGAFQWSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183512939 1034392724 /nfs/dbraw/zinc/39/27/24/1034392724.db2.gz ZJBNOQFXDPKUKP-NWDGAFQWSA-N 0 3 319.376 3.960 20 10 DHCDHN CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183518102 1034396799 /nfs/dbraw/zinc/39/67/99/1034396799.db2.gz SOFOLKSRIJLRLL-LIRRHRJNSA-N 0 3 315.413 3.564 20 10 DHCDHN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183517023 1034397676 /nfs/dbraw/zinc/39/76/76/1034397676.db2.gz XPWIOXBGPSKREO-KUHUBIRLSA-N 0 3 315.413 3.564 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(C)cc1[O-] ZINC000794790314 1034463851 /nfs/dbraw/zinc/46/38/51/1034463851.db2.gz BSISATTWIUVMJH-MRXNPFEDSA-N 0 3 313.397 3.713 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1ccc(C)cc1[O-] ZINC000794809711 1034509595 /nfs/dbraw/zinc/50/95/95/1034509595.db2.gz IROIVKPDQKXPAB-KMFMINBZSA-N 0 3 303.402 3.847 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccco1)c1ccc(C)cc1[O-] ZINC000794809713 1034510408 /nfs/dbraw/zinc/51/04/08/1034510408.db2.gz IROIVKPDQKXPAB-UKPHBRMFSA-N 0 3 303.402 3.847 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1[O-] ZINC000794813445 1034519385 /nfs/dbraw/zinc/51/93/85/1034519385.db2.gz DSFREBNJLXUIQD-RBUKOAKNSA-N 0 3 310.441 3.928 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(C)cc1[O-] ZINC000794813440 1034521313 /nfs/dbraw/zinc/52/13/13/1034521313.db2.gz DSFREBNJLXUIQD-MOPGFXCFSA-N 0 3 310.441 3.928 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000185152045 1034533353 /nfs/dbraw/zinc/53/33/53/1034533353.db2.gz VINJAVLYIYDRFB-AWEZNQCLSA-N 0 3 309.413 3.860 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(C)cc1[O-] ZINC000794829526 1034548949 /nfs/dbraw/zinc/54/89/49/1034548949.db2.gz TYEKQXRLDQAOJY-SJLPKXTDSA-N 0 3 302.462 3.758 20 10 DHCDHN C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185532946 1034553690 /nfs/dbraw/zinc/55/36/90/1034553690.db2.gz BESNNKIMONORGB-DYVFJYSZSA-N 0 3 303.377 3.696 20 10 DHCDHN COc1ccc(COCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185861349 1034579680 /nfs/dbraw/zinc/57/96/80/1034579680.db2.gz HSFHVMUZPAKGQG-HNNXBMFYSA-N 0 3 315.413 3.577 20 10 DHCDHN C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186159727 1034603270 /nfs/dbraw/zinc/60/32/70/1034603270.db2.gz XGNBYHHTLXTETA-UGSOOPFHSA-N 0 3 315.388 3.696 20 10 DHCDHN C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186159743 1034603435 /nfs/dbraw/zinc/60/34/35/1034603435.db2.gz XGNBYHHTLXTETA-ACJLOTCBSA-N 0 3 315.388 3.696 20 10 DHCDHN Cc1cccc(OCCNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001177111737 1035350358 /nfs/dbraw/zinc/35/03/58/1035350358.db2.gz AAZZKGRUDMNWRA-UHFFFAOYSA-N 0 3 320.383 3.508 20 10 DHCDHN Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000905742426 1035638904 /nfs/dbraw/zinc/63/89/04/1035638904.db2.gz QIQQWOIEVUDUQY-SFHVURJKSA-N 0 3 307.397 3.616 20 10 DHCDHN Cn1nccc1[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000905742426 1035638916 /nfs/dbraw/zinc/63/89/16/1035638916.db2.gz QIQQWOIEVUDUQY-SFHVURJKSA-N 0 3 307.397 3.616 20 10 DHCDHN Cc1cccc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000775713733 1036526217 /nfs/dbraw/zinc/52/62/17/1036526217.db2.gz MBZLWCMWSHCZSV-LPHOPBHVSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000775717000 1036537120 /nfs/dbraw/zinc/53/71/20/1036537120.db2.gz LBJURYQRKNPXIJ-KRWDZBQOSA-N 0 3 309.837 3.747 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000775717000 1036537130 /nfs/dbraw/zinc/53/71/30/1036537130.db2.gz LBJURYQRKNPXIJ-KRWDZBQOSA-N 0 3 309.837 3.747 20 10 DHCDHN Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001197003492 1036667272 /nfs/dbraw/zinc/66/72/72/1036667272.db2.gz IMYNVYMQWHRPCT-LBPRGKRZSA-N 0 3 318.804 3.643 20 10 DHCDHN Cc1cc([O-])c(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC001199329354 1037245438 /nfs/dbraw/zinc/24/54/38/1037245438.db2.gz RBZRGRULQBZLRN-HUUCEWRRSA-N 0 3 324.896 3.812 20 10 DHCDHN COc1ccc2c(c1)c1c(n2C)CCN(C[C@@H]2CC=CCC2)C1 ZINC001201418941 1037658854 /nfs/dbraw/zinc/65/88/54/1037658854.db2.gz TWWFNNXCBAOGKJ-OAHLLOKOSA-N 0 3 310.441 3.901 20 10 DHCDHN Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000775130016 1037666153 /nfs/dbraw/zinc/66/61/53/1037666153.db2.gz KLZJTBPTCFSJOG-GFCCVEGCSA-N 0 3 318.804 3.643 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)COC3)c1[O-] ZINC000776250832 1038068563 /nfs/dbraw/zinc/06/85/63/1038068563.db2.gz MXJHFKUBOXUQMR-UHFFFAOYSA-N 0 3 303.789 3.674 20 10 DHCDHN CCOc1ccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c([O-])c1 ZINC000776251727 1038069507 /nfs/dbraw/zinc/06/95/07/1038069507.db2.gz WPJUOXUIZQRQNQ-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1[O-] ZINC000776251329 1038071116 /nfs/dbraw/zinc/07/11/16/1038071116.db2.gz AVEWAERIDLJIKU-LLVKDONJSA-N 0 3 320.177 3.741 20 10 DHCDHN CCCCn1cc(C[NH2+][C@@H](CC)c2ccccc2[O-])c(C)n1 ZINC000775526218 1038644216 /nfs/dbraw/zinc/64/42/16/1038644216.db2.gz OUIHXRBFFCQIPQ-KRWDZBQOSA-N 0 3 301.434 3.938 20 10 DHCDHN CCCCn1cc(C[NH2+][C@H](CC)c2ccccc2[O-])c(C)n1 ZINC000775526222 1038644571 /nfs/dbraw/zinc/64/45/71/1038644571.db2.gz OUIHXRBFFCQIPQ-QGZVFWFLSA-N 0 3 301.434 3.938 20 10 DHCDHN CCCN(CC[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000228799135 1041192640 /nfs/dbraw/zinc/19/26/40/1041192640.db2.gz CNQVNKNNZBZQJY-AWEZNQCLSA-N 0 3 322.449 3.690 20 10 DHCDHN CCOc1cccc(CNCc2ccccc2OC(F)F)c1O ZINC000236952238 202090085 /nfs/dbraw/zinc/09/00/85/202090085.db2.gz SUEDFCJQKQHJDB-UHFFFAOYSA-N 0 3 323.339 3.682 20 10 DHCDHN COc1cccc(CN(CCC(F)(F)F)CC2CC2)c1O ZINC000091901777 193124567 /nfs/dbraw/zinc/12/45/67/193124567.db2.gz CLIJMSQYPSVUML-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1cccc(CN(C)[C@H](C)c2sc(C)nc2C)c1O ZINC000093275461 193224082 /nfs/dbraw/zinc/22/40/82/193224082.db2.gz HLMUOKKSPWRYDT-LLVKDONJSA-N 0 3 306.431 3.667 20 10 DHCDHN C[C@H](CN(C)Cc1ccc(N(C)C)c(F)c1)c1nccs1 ZINC000273191792 130096518 /nfs/dbraw/zinc/09/65/18/130096518.db2.gz PWAYZVONWIQWRW-GFCCVEGCSA-N 0 3 307.438 3.584 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c([O-])c1C ZINC000273364238 130113003 /nfs/dbraw/zinc/11/30/03/130113003.db2.gz BADIDELUJKIMAX-WMZOPIPTSA-N 0 3 313.441 3.826 20 10 DHCDHN Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])n1 ZINC000273387960 130116235 /nfs/dbraw/zinc/11/62/35/130116235.db2.gz KANIFIIYRWORIB-INIZCTEOSA-N 0 3 301.434 3.563 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273423067 130119379 /nfs/dbraw/zinc/11/93/79/130119379.db2.gz SNFDHOYVPKKCIM-GUYCJALGSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000273503931 130129739 /nfs/dbraw/zinc/12/97/39/130129739.db2.gz QSDVWZPXCLZPMF-FBJOKTGGSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273606719 130143147 /nfs/dbraw/zinc/14/31/47/130143147.db2.gz UIDUZWWGFAHUNI-IQUTYRLHSA-N 0 3 317.404 3.921 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c([O-])c1 ZINC000284059392 131044954 /nfs/dbraw/zinc/04/49/54/131044954.db2.gz KQQJHWWFHFSBHN-HNNXBMFYSA-N 0 3 302.462 3.534 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000284195572 131057855 /nfs/dbraw/zinc/05/78/55/131057855.db2.gz RWLOFQOGFPJIHT-SUMWQHHRSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccnc(OC(F)F)c2)c(O)c1C ZINC000284228857 131061120 /nfs/dbraw/zinc/06/11/20/131061120.db2.gz DGZROCLSYSIRLX-GFCCVEGCSA-N 0 3 322.355 3.856 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000284343494 131072706 /nfs/dbraw/zinc/07/27/06/131072706.db2.gz MXCZKMIRLHEBDM-INIZCTEOSA-N 0 3 312.461 3.570 20 10 DHCDHN C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000285651086 131190045 /nfs/dbraw/zinc/19/00/45/131190045.db2.gz YLWSJGHCVTUNBK-YJBOKZPZSA-N 0 3 311.425 3.821 20 10 DHCDHN COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000286375051 131233312 /nfs/dbraw/zinc/23/33/12/131233312.db2.gz AINQRGYTRMQQKC-CYBMUJFWSA-N 0 3 314.385 3.730 20 10 DHCDHN C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000286939541 131256251 /nfs/dbraw/zinc/25/62/51/131256251.db2.gz GTXPJZGRMKCMHK-BDJLRTHQSA-N 0 3 323.795 3.959 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000287641207 131292391 /nfs/dbraw/zinc/29/23/91/131292391.db2.gz UQBVSLBETXUULX-ZQIUZPCESA-N 0 3 303.446 3.594 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(-n2cccn2)c1 ZINC000297581168 132024409 /nfs/dbraw/zinc/02/44/09/132024409.db2.gz HDJVVQYYAQPUBP-RDTXWAMCSA-N 0 3 319.408 3.916 20 10 DHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1OC ZINC000074336385 331671005 /nfs/dbraw/zinc/67/10/05/331671005.db2.gz QRHLRRDFLABROL-CQSZACIVSA-N 0 3 314.429 3.621 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c([O-])c1 ZINC000185262205 333206437 /nfs/dbraw/zinc/20/64/37/333206437.db2.gz YDILKCLEWQCHKJ-AWEZNQCLSA-N 0 3 312.413 3.735 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000185405064 333208375 /nfs/dbraw/zinc/20/83/75/333208375.db2.gz SGAVBXPXZOUWII-KBPBESRZSA-N 0 3 313.397 3.618 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c([O-])c1 ZINC000184999367 333368536 /nfs/dbraw/zinc/36/85/36/333368536.db2.gz WUOYNUYLJGLJRT-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000320249150 333462488 /nfs/dbraw/zinc/46/24/88/333462488.db2.gz PKSJJUDQIZPMFW-AWEZNQCLSA-N 0 3 307.397 3.942 20 10 DHCDHN C[C@@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(Cl)c1 ZINC000296335855 335143562 /nfs/dbraw/zinc/14/35/62/335143562.db2.gz GQEXIQLAOMGNMC-CRAIPNDOSA-N 0 3 317.816 3.530 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc2ccccc2c1[O-] ZINC000278983500 334104654 /nfs/dbraw/zinc/10/46/54/334104654.db2.gz PCWJDWKURIMRIA-LSDHHAIUSA-N 0 3 321.424 3.655 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1nc3c(s1)CCCC3)CC2 ZINC000296830215 334237033 /nfs/dbraw/zinc/23/70/33/334237033.db2.gz MNCXNWJKGBDAJB-CQSZACIVSA-N 0 3 314.454 3.547 20 10 DHCDHN Cc1cc([O-])c(C[NH+]2CCC(F)(c3cccnc3)CC2)cc1C ZINC000366935900 335394396 /nfs/dbraw/zinc/39/43/96/335394396.db2.gz ULGWAAWNLZYAOH-UHFFFAOYSA-N 0 3 314.404 3.865 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000367297942 336612551 /nfs/dbraw/zinc/61/25/51/336612551.db2.gz AQAHUAOZXVOSIA-CQSZACIVSA-N 0 3 312.413 3.736 20 10 DHCDHN COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000371868833 336915239 /nfs/dbraw/zinc/91/52/39/336915239.db2.gz CERMXNUEFCEGAB-GUYCJALGSA-N 0 3 313.397 3.884 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000372603340 336935949 /nfs/dbraw/zinc/93/59/49/336935949.db2.gz ZZKAZLGJAOFRQW-QGZVFWFLSA-N 0 3 311.429 3.821 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)c([O-])c1C ZINC000375234183 337006189 /nfs/dbraw/zinc/00/61/89/337006189.db2.gz PMWDVVBHEKGSQQ-LSDHHAIUSA-N 0 3 324.424 3.786 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000375255468 337006723 /nfs/dbraw/zinc/00/67/23/337006723.db2.gz GNAJJCICETUFCD-WBVHZDCISA-N 0 3 313.445 3.532 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000375255468 337006724 /nfs/dbraw/zinc/00/67/24/337006724.db2.gz GNAJJCICETUFCD-WBVHZDCISA-N 0 3 313.445 3.532 20 10 DHCDHN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179582101 337170272 /nfs/dbraw/zinc/17/02/72/337170272.db2.gz UDRAOQMHYITYAP-CQSZACIVSA-N 0 3 302.443 3.921 20 10 DHCDHN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179582101 337170273 /nfs/dbraw/zinc/17/02/73/337170273.db2.gz UDRAOQMHYITYAP-CQSZACIVSA-N 0 3 302.443 3.921 20 10 DHCDHN Cc1csc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000180028420 337173218 /nfs/dbraw/zinc/17/32/18/337173218.db2.gz WKWHAYKDHONHBM-UHFFFAOYSA-N 0 3 306.406 3.676 20 10 DHCDHN COc1ccc(O)c(CN[C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527872991 337770782 /nfs/dbraw/zinc/77/07/82/337770782.db2.gz ZOMPDIMOWXVMTC-MRXNPFEDSA-N 0 3 321.779 3.970 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c([O-])c1C ZINC000527967270 337781021 /nfs/dbraw/zinc/78/10/21/337781021.db2.gz XOFBWTPPHLTVBT-AWEZNQCLSA-N 0 3 309.413 3.747 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1cnc2ccc(C)cn12 ZINC000475197519 339441154 /nfs/dbraw/zinc/44/11/54/339441154.db2.gz MLADSENPRHETIH-UHFFFAOYSA-N 0 3 318.424 3.733 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1cn(C)nc1C(C)(C)C ZINC000475198525 339441242 /nfs/dbraw/zinc/44/12/42/339441242.db2.gz QNOQLHLIGVVLRH-UHFFFAOYSA-N 0 3 324.472 3.808 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccccc2OC)c1 ZINC000273303807 341634880 /nfs/dbraw/zinc/63/48/80/341634880.db2.gz CEMSWKBNCDNJKD-QWHCGFSZSA-N 0 3 301.386 3.821 20 10 DHCDHN CCc1nc2c(s1)[C@H](NCc1ccc(N(C)C)cc1)CCC2 ZINC000160542777 522481514 /nfs/dbraw/zinc/48/15/14/522481514.db2.gz ZHHMIDSKXHLIJQ-OAHLLOKOSA-N 0 3 315.486 3.939 20 10 DHCDHN COc1cc([C@@H](C)NCc2ccc3c(c2)CCN3C)ccc1F ZINC000154417988 522908377 /nfs/dbraw/zinc/90/83/77/522908377.db2.gz VMLFSYNHQATVEV-CYBMUJFWSA-N 0 3 314.404 3.677 20 10 DHCDHN COCCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000269165722 523062237 /nfs/dbraw/zinc/06/22/37/523062237.db2.gz WQLDADVNDNUQCO-UHFFFAOYSA-N 0 3 311.425 3.966 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(Cl)c2)c1 ZINC000182405166 524761794 /nfs/dbraw/zinc/76/17/94/524761794.db2.gz ULJRGSMNOSJDAM-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000182405166 524761804 /nfs/dbraw/zinc/76/18/04/524761804.db2.gz ULJRGSMNOSJDAM-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccccc1[O-] ZINC000183717076 525528121 /nfs/dbraw/zinc/52/81/21/525528121.db2.gz AMXBNTAQUIFGOP-CYBMUJFWSA-N 0 3 300.402 3.815 20 10 DHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163822776 525530583 /nfs/dbraw/zinc/53/05/83/525530583.db2.gz JGNUWIKAZLLLIN-HOTGVXAUSA-N 0 3 312.461 3.822 20 10 DHCDHN COc1cccc(CN(C)Cc2ccc(OC(F)F)cc2)c1O ZINC000160626628 525915202 /nfs/dbraw/zinc/91/52/02/525915202.db2.gz JFLWCQLVGPDIST-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN Cc1nccn1CCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000162840407 527410922 /nfs/dbraw/zinc/41/09/22/527410922.db2.gz CRUIGJZZZZDWRD-UHFFFAOYSA-N 0 3 309.413 3.572 20 10 DHCDHN Cc1nccn1CCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000162840407 527410927 /nfs/dbraw/zinc/41/09/27/527410927.db2.gz CRUIGJZZZZDWRD-UHFFFAOYSA-N 0 3 309.413 3.572 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(NC(=O)OC)c1)c1ccccc1[O-] ZINC000287616546 535806268 /nfs/dbraw/zinc/80/62/68/535806268.db2.gz SSLNPCYFOIXKNN-MRXNPFEDSA-N 0 3 314.385 3.811 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000285890028 535895227 /nfs/dbraw/zinc/89/52/27/535895227.db2.gz CFFYPFZKJCWROM-KRWDZBQOSA-N 0 3 306.425 3.589 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286136921 535911892 /nfs/dbraw/zinc/91/18/92/535911892.db2.gz OUIMVYOLLVCSRO-PBHICJAKSA-N 0 3 308.441 3.692 20 10 DHCDHN CN1CCCc2cc(C[NH2+][C@@H]3CCc4cccc([O-])c43)ccc21 ZINC000297725595 536396637 /nfs/dbraw/zinc/39/66/37/536396637.db2.gz NJGFNZHLJDWVSE-QGZVFWFLSA-N 0 3 308.425 3.552 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccccc1[O-] ZINC000155240466 1013319522 /nfs/dbraw/zinc/31/95/22/1013319522.db2.gz YIYWSZIXFYKJHM-QGZVFWFLSA-N 0 3 313.445 3.874 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001167982267 1013477532 /nfs/dbraw/zinc/47/75/32/1013477532.db2.gz BGEGIRPZRVAIFY-FPAYPSAMSA-N 0 3 315.457 3.809 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001167982267 1013477538 /nfs/dbraw/zinc/47/75/38/1013477538.db2.gz BGEGIRPZRVAIFY-FPAYPSAMSA-N 0 3 315.457 3.809 20 10 DHCDHN Clc1ccc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000069672805 1013786603 /nfs/dbraw/zinc/78/66/03/1013786603.db2.gz SGRZDMDAHJYGPG-UHFFFAOYSA-N 0 3 322.861 3.528 20 10 DHCDHN CC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccccc1F ZINC000895147431 1014611371 /nfs/dbraw/zinc/61/13/71/1014611371.db2.gz RQRCWAWMHJTNIC-HNNXBMFYSA-N 0 3 319.376 3.789 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000296031296 1014665133 /nfs/dbraw/zinc/66/51/33/1014665133.db2.gz QDIVGKCGGAALBC-GFCCVEGCSA-N 0 3 324.243 3.993 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425447 1015480717 /nfs/dbraw/zinc/48/07/17/1015480717.db2.gz AATRWPWNGHSPBD-OALUTQOASA-N 0 3 322.452 3.806 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896224882 1015510648 /nfs/dbraw/zinc/51/06/48/1015510648.db2.gz PUGUYICSPHQWOD-ZDUSSCGKSA-N 0 3 303.299 3.567 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896224882 1015510661 /nfs/dbraw/zinc/51/06/61/1015510661.db2.gz PUGUYICSPHQWOD-ZDUSSCGKSA-N 0 3 303.299 3.567 20 10 DHCDHN CN(C)c1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1F ZINC000280969116 1015811884 /nfs/dbraw/zinc/81/18/84/1015811884.db2.gz VIKPSKMGYMMXSG-LJQANCHMSA-N 0 3 313.420 3.918 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c([O-])c1 ZINC000185032759 1016503804 /nfs/dbraw/zinc/50/38/04/1016503804.db2.gz CBFSGHUCXMCNBY-OAHLLOKOSA-N 0 3 307.397 3.737 20 10 DHCDHN COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185578775 1017029493 /nfs/dbraw/zinc/02/94/93/1017029493.db2.gz LLIKUGDAIZONHZ-GJZGRUSLSA-N 0 3 315.413 3.827 20 10 DHCDHN COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185578739 1017030268 /nfs/dbraw/zinc/03/02/68/1017030268.db2.gz LLIKUGDAIZONHZ-CABCVRRESA-N 0 3 315.413 3.827 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000185660651 1017076694 /nfs/dbraw/zinc/07/66/94/1017076694.db2.gz QXDGPTJIPWCNSH-CYBMUJFWSA-N 0 3 322.449 3.655 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccc(F)cc2F)c([O-])c1 ZINC000185647157 1017081121 /nfs/dbraw/zinc/08/11/21/1017081121.db2.gz YLGBPCITNGYCRS-LBPRGKRZSA-N 0 3 307.340 3.708 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c([O-])c1 ZINC000192846851 1017094607 /nfs/dbraw/zinc/09/46/07/1017094607.db2.gz KPFKGNCQIBQHBG-QWHCGFSZSA-N 0 3 313.401 3.603 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382778 1032557522 /nfs/dbraw/zinc/55/75/22/1032557522.db2.gz DYMSXDUEMIYBQN-OAHLLOKOSA-N 0 3 303.352 3.660 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382778 1032557528 /nfs/dbraw/zinc/55/75/28/1032557528.db2.gz DYMSXDUEMIYBQN-OAHLLOKOSA-N 0 3 303.352 3.660 20 10 DHCDHN C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172842046 1033412005 /nfs/dbraw/zinc/41/20/05/1033412005.db2.gz OIWTZPYETIZLKF-SNVBAGLBSA-N 0 3 309.768 3.611 20 10 DHCDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000160177302 1011933863 /nfs/dbraw/zinc/93/38/63/1011933863.db2.gz VBAIJHOSTLGWGG-INIZCTEOSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000160177302 1011933874 /nfs/dbraw/zinc/93/38/74/1011933874.db2.gz VBAIJHOSTLGWGG-INIZCTEOSA-N 0 3 317.454 3.943 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000122471431 1032610518 /nfs/dbraw/zinc/61/05/18/1032610518.db2.gz HSSYWPVJPIEWPM-LBPRGKRZSA-N 0 3 317.364 3.651 20 10 DHCDHN C[C@@H](N[C@H](C)c1ccccc1O)c1ccc(Br)cn1 ZINC000281199213 1012322871 /nfs/dbraw/zinc/32/28/71/1012322871.db2.gz RVLQJULTVODPOW-GHMZBOCLSA-N 0 3 321.218 3.962 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(Br)cn1 ZINC000281199213 1012322878 /nfs/dbraw/zinc/32/28/78/1012322878.db2.gz RVLQJULTVODPOW-GHMZBOCLSA-N 0 3 321.218 3.962 20 10 DHCDHN CC(C)n1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000122954289 1032628495 /nfs/dbraw/zinc/62/84/95/1032628495.db2.gz DSFICAQRMBQXKE-OAHLLOKOSA-N 0 3 312.461 3.697 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1[O-] ZINC001171456479 1032716632 /nfs/dbraw/zinc/71/66/32/1032716632.db2.gz BIUSFAXNCIKLLK-BXUZGUMPSA-N 0 3 303.352 3.879 20 10 DHCDHN Cc1csc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975160 1017725377 /nfs/dbraw/zinc/72/53/77/1017725377.db2.gz DFMLUUUBZUNDGM-ZDUSSCGKSA-N 0 3 303.475 3.547 20 10 DHCDHN CN1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000705967492 1018689212 /nfs/dbraw/zinc/68/92/12/1018689212.db2.gz MRWBAXFKTNPETK-NSHDSACASA-N 0 3 317.260 3.521 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000765328377 1018758077 /nfs/dbraw/zinc/75/80/77/1018758077.db2.gz FHHDVVPJPOMHMF-LSDHHAIUSA-N 0 3 316.470 3.997 20 10 DHCDHN COc1ccc2c(c1)nccc2NCc1ccc(N(C)C)cc1 ZINC000765457083 1018792226 /nfs/dbraw/zinc/79/22/26/1018792226.db2.gz XABGBRHERZURDV-UHFFFAOYSA-N 0 3 307.397 3.922 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000186189142 1019651167 /nfs/dbraw/zinc/65/11/67/1019651167.db2.gz ISXCSOSQRTWSAV-QKYXUNIQSA-N 0 3 310.441 3.797 20 10 DHCDHN Cc1cc(CCNCc2nccs2)c(C)n1-c1ccccc1 ZINC000727465448 1019715879 /nfs/dbraw/zinc/71/58/79/1019715879.db2.gz HLFOTBAATGOXJT-UHFFFAOYSA-N 0 3 311.454 3.883 20 10 DHCDHN CCn1ccnc1CNCCc1cc(C)n(-c2ccccc2)c1C ZINC000727643045 1019743987 /nfs/dbraw/zinc/74/39/87/1019743987.db2.gz ZDDYHJQAJRDJOO-UHFFFAOYSA-N 0 3 322.456 3.643 20 10 DHCDHN CCOc1c(Cl)cccc1CNCc1cc(OC)ccc1O ZINC000785469891 1020064553 /nfs/dbraw/zinc/06/45/53/1020064553.db2.gz WVHPOYNJPWVEGC-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN CN(C)c1ccc(/C=C\CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922585332 1020145100 /nfs/dbraw/zinc/14/51/00/1020145100.db2.gz RMDNVDVGGZQKED-PRPIBZDOSA-N 0 3 307.441 3.902 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000176983030 1020153150 /nfs/dbraw/zinc/15/31/50/1020153150.db2.gz MYAPXJUSTPVWOF-MNOVXSKESA-N 0 3 303.333 3.672 20 10 DHCDHN C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000176985251 1020156444 /nfs/dbraw/zinc/15/64/44/1020156444.db2.gz XLNNGUGNSPCUNI-CHWSQXEVSA-N 0 3 303.377 3.909 20 10 DHCDHN Cc1c([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cnn1C ZINC001117503427 1020179615 /nfs/dbraw/zinc/17/96/15/1020179615.db2.gz GYRJRBBMDZXBPT-MNOVXSKESA-N 0 3 307.825 3.808 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000765995295 1020211904 /nfs/dbraw/zinc/21/19/04/1020211904.db2.gz UFMYNQWGQZJFSZ-CXAGYDPISA-N 0 3 322.880 3.788 20 10 DHCDHN COc1cc(Br)cc(C[NH2+]C(C)(C)C(C)C)c1[O-] ZINC000732229626 1020215259 /nfs/dbraw/zinc/21/52/59/1020215259.db2.gz QFSUXBZDVNCFSW-UHFFFAOYSA-N 0 3 316.239 3.688 20 10 DHCDHN CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CCO2 ZINC000186694231 1020399064 /nfs/dbraw/zinc/39/90/64/1020399064.db2.gz YKQSNVBLFIAMIE-SUMWQHHRSA-N 0 3 313.397 3.965 20 10 DHCDHN CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CCO2 ZINC000186694246 1020399089 /nfs/dbraw/zinc/39/90/89/1020399089.db2.gz YKQSNVBLFIAMIE-GUYCJALGSA-N 0 3 313.397 3.965 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000179583572 1020412902 /nfs/dbraw/zinc/41/29/02/1020412902.db2.gz PUFATYFXCJPSOF-AWEZNQCLSA-N 0 3 303.789 3.699 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000179583572 1020412905 /nfs/dbraw/zinc/41/29/05/1020412905.db2.gz PUFATYFXCJPSOF-AWEZNQCLSA-N 0 3 303.789 3.699 20 10 DHCDHN Cc1nc(C)c([C@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000766030910 1020495144 /nfs/dbraw/zinc/49/51/44/1020495144.db2.gz XSTCABSRSPHQPU-LBPRGKRZSA-N 0 3 303.475 3.985 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044220 1020581343 /nfs/dbraw/zinc/58/13/43/1020581343.db2.gz OAVZHBLECBDQRM-AUUYWEPGSA-N 0 3 324.472 3.969 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000734844295 1020668106 /nfs/dbraw/zinc/66/81/06/1020668106.db2.gz MBFZACTZHISTPH-FQEVSTJZSA-N 0 3 319.404 3.882 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cn3ccnc3s2)cc1 ZINC000892615502 1021097813 /nfs/dbraw/zinc/09/78/13/1021097813.db2.gz RVKGAHZYSIINAC-UHFFFAOYSA-N 0 3 314.458 3.532 20 10 DHCDHN COc1ccc(CNCc2ccc3c(c2)CCO3)cc1Cl ZINC000742369149 1021107294 /nfs/dbraw/zinc/10/72/94/1021107294.db2.gz XFHJODDBSDAWIO-UHFFFAOYSA-N 0 3 303.789 3.573 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1C ZINC000742375630 1021114226 /nfs/dbraw/zinc/11/42/26/1021114226.db2.gz SRFYMWWKYLFNRA-HNAYVOBHSA-N 0 3 310.441 3.632 20 10 DHCDHN Cn1cc(C(C)(C)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000742374440 1021114327 /nfs/dbraw/zinc/11/43/27/1021114327.db2.gz YCWLBGGLZOSWBX-UHFFFAOYSA-N 0 3 321.424 3.818 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000176981169 1021188638 /nfs/dbraw/zinc/18/86/38/1021188638.db2.gz AFUDNAHMVWUAAY-CJNGLKHVSA-N 0 3 318.392 3.612 20 10 DHCDHN COc1cc(CNCc2cnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850118811 1021422550 /nfs/dbraw/zinc/42/25/50/1021422550.db2.gz JNCNCKXRKWLOON-UHFFFAOYSA-N 0 3 320.458 3.753 20 10 DHCDHN COc1cc(CNCc2cncc(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850226269 1021448047 /nfs/dbraw/zinc/44/80/47/1021448047.db2.gz MGWOEYZXFHVFKG-UHFFFAOYSA-N 0 3 314.429 3.692 20 10 DHCDHN O[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369764 1021491692 /nfs/dbraw/zinc/49/16/92/1021491692.db2.gz LGBYUULQVOPFPI-NHCUHLMSSA-N 0 3 322.452 3.945 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000850495273 1021564748 /nfs/dbraw/zinc/56/47/48/1021564748.db2.gz ZHXVIFLDOQIZOM-DYEKYZERSA-N 0 3 306.425 3.542 20 10 DHCDHN C[C@H](COc1c(F)cccc1F)[NH2+][C@H](C)c1ccccc1[O-] ZINC000850523104 1021574607 /nfs/dbraw/zinc/57/46/07/1021574607.db2.gz YWPTYANHLILPSM-VXGBXAGGSA-N 0 3 307.340 3.789 20 10 DHCDHN C[C@H](NCc1c(C2CCC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850548966 1021598659 /nfs/dbraw/zinc/59/86/59/1021598659.db2.gz CEQZPLIOTGTRDA-AWEZNQCLSA-N 0 3 312.461 3.604 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc3ccccc3n2)c1 ZINC000182434858 1021653974 /nfs/dbraw/zinc/65/39/74/1021653974.db2.gz OFQJAFFBERQJLM-ZDUSSCGKSA-N 0 3 308.381 3.800 20 10 DHCDHN COc1cccc(SCC[N@H+](C)Cc2ccccc2[O-])c1 ZINC000851841482 1022019230 /nfs/dbraw/zinc/01/92/30/1022019230.db2.gz SYJAZUJSDMIXPP-UHFFFAOYSA-N 0 3 303.427 3.625 20 10 DHCDHN COc1cccc(SCC[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000851841482 1022019247 /nfs/dbraw/zinc/01/92/47/1022019247.db2.gz SYJAZUJSDMIXPP-UHFFFAOYSA-N 0 3 303.427 3.625 20 10 DHCDHN Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(N(C)C)cc2)o1 ZINC000155175882 1022030454 /nfs/dbraw/zinc/03/04/54/1022030454.db2.gz MECLNBSOGDDYHI-UHFFFAOYSA-N 0 3 324.428 3.676 20 10 DHCDHN Cc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1O ZINC000179694603 1022076187 /nfs/dbraw/zinc/07/61/87/1022076187.db2.gz XCIRADXIVLWREX-UHFFFAOYSA-N 0 3 312.369 3.773 20 10 DHCDHN COc1cccc(CN(C)Cc2ccc(F)c(Cl)c2)c1O ZINC000763622849 1022189652 /nfs/dbraw/zinc/18/96/52/1022189652.db2.gz QWYZBCAIEZVXNX-UHFFFAOYSA-N 0 3 309.768 3.825 20 10 DHCDHN C[C@H](N[C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853241388 1022242876 /nfs/dbraw/zinc/24/28/76/1022242876.db2.gz LSTVMINRQYRXDJ-YOEHRIQHSA-N 0 3 319.408 3.916 20 10 DHCDHN Oc1ccccc1CN(CCc1ccccn1)Cc1ccco1 ZINC000111232791 1022253266 /nfs/dbraw/zinc/25/32/66/1022253266.db2.gz KTSDHCSJENHWAL-UHFFFAOYSA-N 0 3 308.381 3.625 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCc1ccccn1)Cc1ccco1 ZINC000111232791 1022253275 /nfs/dbraw/zinc/25/32/75/1022253275.db2.gz KTSDHCSJENHWAL-UHFFFAOYSA-N 0 3 308.381 3.625 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccn1)Cc1ccco1 ZINC000111232791 1022253287 /nfs/dbraw/zinc/25/32/87/1022253287.db2.gz KTSDHCSJENHWAL-UHFFFAOYSA-N 0 3 308.381 3.625 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000768227615 1022931465 /nfs/dbraw/zinc/93/14/65/1022931465.db2.gz SBABAKCXKPGEOB-INIZCTEOSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000768227615 1022931472 /nfs/dbraw/zinc/93/14/72/1022931472.db2.gz SBABAKCXKPGEOB-INIZCTEOSA-N 0 3 301.361 3.877 20 10 DHCDHN CCOc1ccc(C[N@H+](CC)Cc2ccc(OC)cc2)c([O-])c1 ZINC000768334679 1022947309 /nfs/dbraw/zinc/94/73/09/1022947309.db2.gz OTTZUTLRQAGGSO-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCOc1ccc(C[N@@H+](CC)Cc2ccc(OC)cc2)c([O-])c1 ZINC000768334679 1022947316 /nfs/dbraw/zinc/94/73/16/1022947316.db2.gz OTTZUTLRQAGGSO-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN COc1cc([O-])c(C[N@H+](CC2CC2)C2CCCCC2)cc1OC ZINC000768448061 1022967895 /nfs/dbraw/zinc/96/78/95/1022967895.db2.gz BEAFADFPZOJUFK-UHFFFAOYSA-N 0 3 319.445 3.954 20 10 DHCDHN COc1cc([O-])c(C[N@@H+](CC2CC2)C2CCCCC2)cc1OC ZINC000768448061 1022967902 /nfs/dbraw/zinc/96/79/02/1022967902.db2.gz BEAFADFPZOJUFK-UHFFFAOYSA-N 0 3 319.445 3.954 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cccc3cccnc31)CC2 ZINC000296129444 1023004218 /nfs/dbraw/zinc/00/42/18/1023004218.db2.gz VRUXOYJLZCJIFT-QGZVFWFLSA-N 0 3 304.393 3.760 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000768989802 1023066062 /nfs/dbraw/zinc/06/60/62/1023066062.db2.gz BMEOSMCVRZZGCR-MRXNPFEDSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000768989802 1023066066 /nfs/dbraw/zinc/06/60/66/1023066066.db2.gz BMEOSMCVRZZGCR-MRXNPFEDSA-N 0 3 315.388 3.747 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000364405347 1023149676 /nfs/dbraw/zinc/14/96/76/1023149676.db2.gz WZWRUDGXJVIGPJ-UWJYYQICSA-N 0 3 324.468 3.843 20 10 DHCDHN CCOc1ccc(O)c(CN2CCOC3(C2)CCCCCC3)c1 ZINC000769513741 1023172506 /nfs/dbraw/zinc/17/25/06/1023172506.db2.gz IAXVNFCQXWBVLR-UHFFFAOYSA-N 0 3 319.445 3.716 20 10 DHCDHN CN(C)c1cccc(CN(C)Cc2ccc(N(C)C)c(F)c2)c1 ZINC000769536558 1023175567 /nfs/dbraw/zinc/17/55/67/1023175567.db2.gz BNGLNWSEXLHRTJ-UHFFFAOYSA-N 0 3 315.436 3.590 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769559526 1023180644 /nfs/dbraw/zinc/18/06/44/1023180644.db2.gz NCQRFLSIZWVYEY-NSHDSACASA-N 0 3 307.315 3.799 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769559526 1023180649 /nfs/dbraw/zinc/18/06/49/1023180649.db2.gz NCQRFLSIZWVYEY-NSHDSACASA-N 0 3 307.315 3.799 20 10 DHCDHN C[C@H]1CCCN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000662793949 1023567458 /nfs/dbraw/zinc/56/74/58/1023567458.db2.gz LBDUDAZWWGHXNY-HNNXBMFYSA-N 0 3 320.436 3.876 20 10 DHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(F)nc1C ZINC000787048469 1023753211 /nfs/dbraw/zinc/75/32/11/1023753211.db2.gz GEXVOCZIDKWHOJ-UHFFFAOYSA-N 0 3 301.409 3.617 20 10 DHCDHN CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c([O-])c1 ZINC000787413988 1023791197 /nfs/dbraw/zinc/79/11/97/1023791197.db2.gz WGLDTUWBCKGSBJ-UHFFFAOYSA-N 0 3 301.430 3.849 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788260192 1023866963 /nfs/dbraw/zinc/86/69/63/1023866963.db2.gz VQXCLLMQLNXBRJ-GDBMZVCRSA-N 0 3 301.434 3.525 20 10 DHCDHN CN(C)c1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000788831036 1023942083 /nfs/dbraw/zinc/94/20/83/1023942083.db2.gz HLWCDRACBCHBRU-IBGZPJMESA-N 0 3 312.457 3.602 20 10 DHCDHN COc1ccc(OC)c([C@@H](C)NCc2ccc(C)cc2O)c1 ZINC000876895845 1033178087 /nfs/dbraw/zinc/17/80/87/1033178087.db2.gz MOMUOSCFNLNWIY-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000876931383 1033187139 /nfs/dbraw/zinc/18/71/39/1033187139.db2.gz NETDLENTWIIWCP-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN CCOc1ccc(O)c(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000130469741 1024169483 /nfs/dbraw/zinc/16/94/83/1024169483.db2.gz CLMUZXVEHAWRGW-UHFFFAOYSA-N 0 3 307.340 3.701 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000876956817 1033192958 /nfs/dbraw/zinc/19/29/58/1033192958.db2.gz OIOADWQTMGGSTP-INIZCTEOSA-N 0 3 313.397 3.713 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000876968803 1033193959 /nfs/dbraw/zinc/19/39/59/1033193959.db2.gz UBUDBNSEPAYECP-QUCCMNQESA-N 0 3 311.425 3.958 20 10 DHCDHN C[C@H]1CCCC[N@@H+]1CCCNCc1c([O-])ccc(Cl)c1F ZINC000790947214 1024402723 /nfs/dbraw/zinc/40/27/23/1024402723.db2.gz MCJRJQNUWSIEHP-LBPRGKRZSA-N 0 3 314.832 3.539 20 10 DHCDHN C[C@H]1CCCC[N@H+]1CCCNCc1c([O-])ccc(Cl)c1F ZINC000790947214 1024402725 /nfs/dbraw/zinc/40/27/25/1024402725.db2.gz MCJRJQNUWSIEHP-LBPRGKRZSA-N 0 3 314.832 3.539 20 10 DHCDHN COc1cc(F)c([C@H](C)NCc2ccc(C)cc2O)cc1OC ZINC000877034845 1033211913 /nfs/dbraw/zinc/21/19/13/1033211913.db2.gz BWLJSZZINZCWQS-LBPRGKRZSA-N 0 3 319.376 3.708 20 10 DHCDHN Cc1ccc(C[NH2+]Cc2cc(N(C)C)nc3ccccc23)c([O-])c1 ZINC000877066561 1033224400 /nfs/dbraw/zinc/22/44/00/1033224400.db2.gz OBIBVEUTDFFXPM-UHFFFAOYSA-N 0 3 321.424 3.605 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000877068358 1033227784 /nfs/dbraw/zinc/22/77/84/1033227784.db2.gz POFWPFGZUMYTHW-APPDUMDISA-N 0 3 323.795 3.705 20 10 DHCDHN CCc1ccc2c(CN(C)Cc3ccccc3O)cc(=O)oc2c1 ZINC000109769549 1024696480 /nfs/dbraw/zinc/69/64/80/1024696480.db2.gz CTBWJIGTGODFDY-UHFFFAOYSA-N 0 3 323.392 3.693 20 10 DHCDHN CCc1ccc2c(C[N@H+](C)Cc3ccccc3[O-])cc(=O)oc2c1 ZINC000109769549 1024696487 /nfs/dbraw/zinc/69/64/87/1024696487.db2.gz CTBWJIGTGODFDY-UHFFFAOYSA-N 0 3 323.392 3.693 20 10 DHCDHN CCc1ccc2c(C[N@@H+](C)Cc3ccccc3[O-])cc(=O)oc2c1 ZINC000109769549 1024696492 /nfs/dbraw/zinc/69/64/92/1024696492.db2.gz CTBWJIGTGODFDY-UHFFFAOYSA-N 0 3 323.392 3.693 20 10 DHCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000028924811 1024812631 /nfs/dbraw/zinc/81/26/31/1024812631.db2.gz RCFHYLHNYHDQPZ-CQSZACIVSA-N 0 3 311.429 3.562 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000877119215 1033243805 /nfs/dbraw/zinc/24/38/05/1033243805.db2.gz VBXOUUHXRNQAQP-LPHOPBHVSA-N 0 3 311.425 3.958 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000877123309 1033246496 /nfs/dbraw/zinc/24/64/96/1033246496.db2.gz SHKWWENSEPLBPP-CQSZACIVSA-N 0 3 323.396 3.644 20 10 DHCDHN CCC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000793235306 1024952224 /nfs/dbraw/zinc/95/22/24/1024952224.db2.gz FVQFFAJGCPMNFE-FUHWJXTLSA-N 0 3 303.377 3.523 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793353278 1024997434 /nfs/dbraw/zinc/99/74/34/1024997434.db2.gz QYVJAVHJKUKSCO-GDBMZVCRSA-N 0 3 315.388 3.966 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cccn2CCC(C)C)c([O-])c1 ZINC000793385536 1025030076 /nfs/dbraw/zinc/03/00/76/1025030076.db2.gz BNWPDPFQBDOYNL-UHFFFAOYSA-N 0 3 302.418 3.538 20 10 DHCDHN Cc1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c([O-])c1 ZINC000877353200 1033288272 /nfs/dbraw/zinc/28/82/72/1033288272.db2.gz NVDRNPQPGHSFRV-UHFFFAOYSA-N 0 3 311.425 3.621 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886506511 1025662367 /nfs/dbraw/zinc/66/23/67/1025662367.db2.gz VWPZVEBJULVNJY-LJQANCHMSA-N 0 3 314.477 3.753 20 10 DHCDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(F)cc2F)c1O ZINC000894160514 1026213932 /nfs/dbraw/zinc/21/39/32/1026213932.db2.gz NBSFRRXZUDMOQK-NSHDSACASA-N 0 3 307.340 3.838 20 10 DHCDHN C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190858 1026223471 /nfs/dbraw/zinc/22/34/71/1026223471.db2.gz KHRUJEJBKZXHMG-HNAYVOBHSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190858 1026223484 /nfs/dbraw/zinc/22/34/84/1026223484.db2.gz KHRUJEJBKZXHMG-HNAYVOBHSA-N 0 3 310.441 3.604 20 10 DHCDHN CCCOc1ccc(C[N@H+](CC)Cc2ccncc2)c([O-])c1 ZINC000289958393 1026252609 /nfs/dbraw/zinc/25/26/09/1026252609.db2.gz YFCQIBGVJANTDU-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN CCCOc1ccc(C[N@@H+](CC)Cc2ccncc2)c([O-])c1 ZINC000289958393 1026252619 /nfs/dbraw/zinc/25/26/19/1026252619.db2.gz YFCQIBGVJANTDU-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN CCCOc1ccc(CN(CC)Cc2ccncc2)c(O)c1 ZINC000289958393 1026252627 /nfs/dbraw/zinc/25/26/27/1026252627.db2.gz YFCQIBGVJANTDU-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN COc1cc(Cl)cc(CN[C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000290010041 1026280121 /nfs/dbraw/zinc/28/01/21/1026280121.db2.gz DPLQRGOGJVHRCB-QLJPJBMISA-N 0 3 319.788 3.666 20 10 DHCDHN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808688908 1026349864 /nfs/dbraw/zinc/34/98/64/1026349864.db2.gz WYZVDAPJCGRNAO-SNVBAGLBSA-N 0 3 307.825 3.555 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOc2ncccc2F)c1[O-] ZINC000808708332 1026358093 /nfs/dbraw/zinc/35/80/93/1026358093.db2.gz KJIXNSMCQWUTHE-LLVKDONJSA-N 0 3 324.783 3.618 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c1[O-] ZINC000808710613 1026359619 /nfs/dbraw/zinc/35/96/19/1026359619.db2.gz SJCGKVCWRVBNSD-BLLLJJGKSA-N 0 3 311.853 3.802 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000808711008 1026360305 /nfs/dbraw/zinc/36/03/05/1026360305.db2.gz ZSAWVNWXQUPVNW-XYZKALLWSA-N 0 3 321.848 3.962 20 10 DHCDHN COc1cncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000808728954 1026382107 /nfs/dbraw/zinc/38/21/07/1026382107.db2.gz XDMKMRAEDLYTDY-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN COc1cncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000808728954 1026382119 /nfs/dbraw/zinc/38/21/19/1026382119.db2.gz XDMKMRAEDLYTDY-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN CCCCN(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000808733626 1026385883 /nfs/dbraw/zinc/38/58/83/1026385883.db2.gz YXUIZZPSDBOWNU-IPYPFGDCSA-N 0 3 308.441 3.790 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(C)cc1[O-] ZINC000280028798 1026574469 /nfs/dbraw/zinc/57/44/69/1026574469.db2.gz HZDTVLHWRJIUBW-JKSUJKDBSA-N 0 3 302.418 3.637 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000809786843 1026626293 /nfs/dbraw/zinc/62/62/93/1026626293.db2.gz MPGQRFSGOKLBPQ-PXAZEXFGSA-N 0 3 305.805 3.566 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C)cc1[O-] ZINC000280276107 1026630548 /nfs/dbraw/zinc/63/05/48/1026630548.db2.gz YDUZBDOISCCHTK-ZVZYQTTQSA-N 0 3 321.486 3.796 20 10 DHCDHN CC[C@@]1(C[NH2+][C@H](C)c2ccccc2[O-])OCCc2ccccc21 ZINC000810243748 1026727022 /nfs/dbraw/zinc/72/70/22/1026727022.db2.gz SJGGIGVFEKWYCK-QRWLVFNGSA-N 0 3 311.425 3.921 20 10 DHCDHN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000810257218 1026731866 /nfs/dbraw/zinc/73/18/66/1026731866.db2.gz NMAAIOGYIREYSN-OUAUKWLOSA-N 0 3 316.239 3.537 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3c2cccc3O)c1[O-] ZINC000271866967 1027168200 /nfs/dbraw/zinc/16/82/00/1027168200.db2.gz LRBFERUUJBSKRC-HNNXBMFYSA-N 0 3 303.789 3.837 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000362618746 1027313280 /nfs/dbraw/zinc/31/32/80/1027313280.db2.gz ARGKJKAGIHRVQM-UHFFFAOYSA-N 0 3 307.397 3.648 20 10 DHCDHN COc1cc(C)cc(CNCc2ccc(Cl)cc2OC)c1O ZINC000894275744 1027319206 /nfs/dbraw/zinc/31/92/06/1027319206.db2.gz IQRLFOYUHLMSIY-UHFFFAOYSA-N 0 3 321.804 3.661 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CC2 ZINC000295811487 1027438407 /nfs/dbraw/zinc/43/84/07/1027438407.db2.gz ACKAQQLBMTZZEJ-JKSUJKDBSA-N 0 3 301.430 3.851 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccnc(N3CCCCC3)c1)CC2 ZINC000295828839 1027448382 /nfs/dbraw/zinc/44/83/82/1027448382.db2.gz DTLLKTKDFLOSDH-KRWDZBQOSA-N 0 3 323.440 3.555 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000296006508 1027517441 /nfs/dbraw/zinc/51/74/41/1027517441.db2.gz OPROVYICAGGLSO-GOSISDBHSA-N 0 3 308.425 3.770 20 10 DHCDHN C[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCc2sccc21 ZINC000296230435 1027581412 /nfs/dbraw/zinc/58/14/12/1027581412.db2.gz AGPUGLYOLGWZSH-KSSFIOAISA-N 0 3 315.438 3.519 20 10 DHCDHN CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296567204 1027671086 /nfs/dbraw/zinc/67/10/86/1027671086.db2.gz UWEJKALJGWQURT-JZXOWHBKSA-N 0 3 303.446 3.953 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000296625767 1027688958 /nfs/dbraw/zinc/68/89/58/1027688958.db2.gz XCKMWSBFYCXCBL-SECBINFHSA-N 0 3 314.282 3.796 20 10 DHCDHN C[C@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985420 1027717233 /nfs/dbraw/zinc/71/72/33/1027717233.db2.gz SYRAMOQQLSUAKX-JKSUJKDBSA-N 0 3 315.413 3.803 20 10 DHCDHN C[C@H]1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000778985420 1027717260 /nfs/dbraw/zinc/71/72/60/1027717260.db2.gz SYRAMOQQLSUAKX-JKSUJKDBSA-N 0 3 315.413 3.803 20 10 DHCDHN COCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000778996413 1027735099 /nfs/dbraw/zinc/73/50/99/1027735099.db2.gz OCMDQJIOCVTALD-AWEZNQCLSA-N 0 3 303.377 3.741 20 10 DHCDHN COCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000778996413 1027735118 /nfs/dbraw/zinc/73/51/18/1027735118.db2.gz OCMDQJIOCVTALD-AWEZNQCLSA-N 0 3 303.377 3.741 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000813883848 1027750088 /nfs/dbraw/zinc/75/00/88/1027750088.db2.gz OWCQJANXOLSYAU-JSGCOSHPSA-N 0 3 318.367 3.600 20 10 DHCDHN COc1c(C)cc(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1C ZINC000779004619 1027756156 /nfs/dbraw/zinc/75/61/56/1027756156.db2.gz AJJFYBXREFQAOL-UHFFFAOYSA-N 0 3 303.377 3.789 20 10 DHCDHN COc1c(C)cc(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1C ZINC000779004619 1027756164 /nfs/dbraw/zinc/75/61/64/1027756164.db2.gz AJJFYBXREFQAOL-UHFFFAOYSA-N 0 3 303.377 3.789 20 10 DHCDHN C[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364764366 1027887434 /nfs/dbraw/zinc/88/74/34/1027887434.db2.gz MHQKGSOPCAICCB-IFXJQAMLSA-N 0 3 307.397 3.566 20 10 DHCDHN Oc1ccccc1CNCc1ccc(Sc2ccccn2)o1 ZINC000814292527 1027992258 /nfs/dbraw/zinc/99/22/58/1027992258.db2.gz YRZULCJZNTZQCT-UHFFFAOYSA-N 0 3 312.394 3.821 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(C)cc1[O-] ZINC000527999226 1028025115 /nfs/dbraw/zinc/02/51/15/1028025115.db2.gz FSOHQKXENUXRFA-WMZOPIPTSA-N 0 3 302.462 3.758 20 10 DHCDHN CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccccc1[O-] ZINC000528043637 1028059350 /nfs/dbraw/zinc/05/93/50/1028059350.db2.gz OSLXLJAVASXHQE-APWZRJJASA-N 0 3 312.413 3.988 20 10 DHCDHN CO[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000779087101 1028221634 /nfs/dbraw/zinc/22/16/34/1028221634.db2.gz LYAVPIRBPVKTMD-INIZCTEOSA-N 0 3 309.768 3.662 20 10 DHCDHN CCN(C)c1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000815120010 1028365930 /nfs/dbraw/zinc/36/59/30/1028365930.db2.gz LZPTYLXJNNBRLU-ZWKOTPCHSA-N 0 3 302.462 3.532 20 10 DHCDHN CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000779148309 1028425007 /nfs/dbraw/zinc/42/50/07/1028425007.db2.gz BZBHKYPSRBSSIH-PXAZEXFGSA-N 0 3 305.805 3.911 20 10 DHCDHN CC[C@@H](N[C@@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769934 1028528612 /nfs/dbraw/zinc/52/86/12/1028528612.db2.gz CRTNFDAHPAQUGT-KBXCAEBGSA-N 0 3 313.445 3.958 20 10 DHCDHN Cc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815582610 1028553330 /nfs/dbraw/zinc/55/33/30/1028553330.db2.gz LASLEUIYNWLHBD-IBGZPJMESA-N 0 3 321.424 3.887 20 10 DHCDHN Cn1ccc(CN[C@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000815599246 1028565079 /nfs/dbraw/zinc/56/50/79/1028565079.db2.gz ONQIUATTZWREQO-LJQANCHMSA-N 0 3 321.424 3.589 20 10 DHCDHN CC[N@H+](Cc1cccc(OC)c1[O-])[C@H](C)Cc1ccsc1 ZINC000190259151 1028868418 /nfs/dbraw/zinc/86/84/18/1028868418.db2.gz QOURYKIPHYAFPU-CYBMUJFWSA-N 0 3 305.443 3.915 20 10 DHCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])[C@H](C)Cc1ccsc1 ZINC000190259151 1028868430 /nfs/dbraw/zinc/86/84/30/1028868430.db2.gz QOURYKIPHYAFPU-CYBMUJFWSA-N 0 3 305.443 3.915 20 10 DHCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000816515134 1028919072 /nfs/dbraw/zinc/91/90/72/1028919072.db2.gz QIXJSPKRWRHLHQ-CRAIPNDOSA-N 0 3 312.457 3.850 20 10 DHCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000816515134 1028919086 /nfs/dbraw/zinc/91/90/86/1028919086.db2.gz QIXJSPKRWRHLHQ-CRAIPNDOSA-N 0 3 312.457 3.850 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nccn3C)c2)c([O-])c1 ZINC000373253494 1028989771 /nfs/dbraw/zinc/98/97/71/1028989771.db2.gz ANRRJVUWVPUHED-HNNXBMFYSA-N 0 3 321.424 3.952 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cc(C)nc(C)c2)cc1F ZINC000817410265 1029151066 /nfs/dbraw/zinc/15/10/66/1029151066.db2.gz KOCYAHWEHRONRZ-UHFFFAOYSA-N 0 3 315.436 3.974 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817413576 1029152969 /nfs/dbraw/zinc/15/29/69/1029152969.db2.gz ZMVJGGXSTZQGOD-LLVKDONJSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817413576 1029152972 /nfs/dbraw/zinc/15/29/72/1029152972.db2.gz ZMVJGGXSTZQGOD-LLVKDONJSA-N 0 3 303.324 3.565 20 10 DHCDHN C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817975050 1029313176 /nfs/dbraw/zinc/31/31/76/1029313176.db2.gz IDZYZIYABDIUOB-LRDDRELGSA-N 0 3 312.413 3.927 20 10 DHCDHN CC[NH2+][C@H](C)CN[C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974153 1029313608 /nfs/dbraw/zinc/31/36/08/1029313608.db2.gz ZNOZTPOQABHMET-RNCFNFMXSA-N 0 3 305.249 3.738 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Cl)c(Cl)cc1[O-] ZINC000818616140 1029419848 /nfs/dbraw/zinc/41/98/48/1029419848.db2.gz UBAPSOGQJZOHFS-BZHVJNSISA-N 0 3 303.233 3.620 20 10 DHCDHN COC[C@H](NCc1cccc(C)c1O)c1cccc(Cl)c1 ZINC000290281048 1029978563 /nfs/dbraw/zinc/97/85/63/1029978563.db2.gz ZDTRTJHNOKANBF-INIZCTEOSA-N 0 3 305.805 3.831 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1([C@H]3CCCCO3)CCC1)CC2 ZINC000866480498 1030319619 /nfs/dbraw/zinc/31/96/19/1030319619.db2.gz FBOPZMSSDRFJLU-NVXWUHKLSA-N 0 3 301.430 3.709 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485262 1030322106 /nfs/dbraw/zinc/32/21/06/1030322106.db2.gz HSLVNMAOPMAACQ-QMTHXVAHSA-N 0 3 310.353 3.577 20 10 DHCDHN CC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000121107154 1030343863 /nfs/dbraw/zinc/34/38/63/1030343863.db2.gz OHPXZFXWMCYMKM-SFHVURJKSA-N 0 3 307.397 3.819 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c([O-])c1 ZINC000866531965 1030351387 /nfs/dbraw/zinc/35/13/87/1030351387.db2.gz SYWGYNDAYWWBMY-CVEARBPZSA-N 0 3 303.446 3.866 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccccc1[O-] ZINC000866572318 1030385331 /nfs/dbraw/zinc/38/53/31/1030385331.db2.gz AAFXMNPWBIZZGW-QGZVFWFLSA-N 0 3 309.413 3.562 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1F ZINC000121198030 1030428497 /nfs/dbraw/zinc/42/84/97/1030428497.db2.gz HGGFKDKBWRVQNB-KRWDZBQOSA-N 0 3 320.358 3.947 20 10 DHCDHN CCOc1cccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000291469569 1030515721 /nfs/dbraw/zinc/51/57/21/1030515721.db2.gz DTEDJPVREJDPQE-OAHLLOKOSA-N 0 3 307.434 3.570 20 10 DHCDHN CCOc1cccc(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000291469569 1030515729 /nfs/dbraw/zinc/51/57/29/1030515729.db2.gz DTEDJPVREJDPQE-OAHLLOKOSA-N 0 3 307.434 3.570 20 10 DHCDHN CN(C)c1ccc(/C=C/CN2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000828014212 1030530083 /nfs/dbraw/zinc/53/00/83/1030530083.db2.gz XFZHBWBSRWSEMH-AATRIKPKSA-N 0 3 324.472 3.573 20 10 DHCDHN COCc1csc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000824473839 1030560918 /nfs/dbraw/zinc/56/09/18/1030560918.db2.gz FJKQFYQPINHCDF-UHFFFAOYSA-N 0 3 304.459 3.593 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000824468038 1030568071 /nfs/dbraw/zinc/56/80/71/1030568071.db2.gz ASOKLOXVZNFUIK-INIZCTEOSA-N 0 3 301.361 3.707 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000824714268 1030619006 /nfs/dbraw/zinc/61/90/06/1030619006.db2.gz AVMXGGMDPNFONK-WCQYABFASA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000824714268 1030619011 /nfs/dbraw/zinc/61/90/11/1030619011.db2.gz AVMXGGMDPNFONK-WCQYABFASA-N 0 3 317.351 3.954 20 10 DHCDHN COC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000824758674 1030638545 /nfs/dbraw/zinc/63/85/45/1030638545.db2.gz ZNKCMVGZWSUCSV-AWEZNQCLSA-N 0 3 323.795 3.705 20 10 DHCDHN COC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000824758675 1030639536 /nfs/dbraw/zinc/63/95/36/1030639536.db2.gz ZNKCMVGZWSUCSV-CQSZACIVSA-N 0 3 323.795 3.705 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000824798897 1030642264 /nfs/dbraw/zinc/64/22/64/1030642264.db2.gz IPLBXDUZQIZCAG-CZUORRHYSA-N 0 3 311.853 3.895 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1cc(F)ccc1[O-] ZINC000292011647 1030756467 /nfs/dbraw/zinc/75/64/67/1030756467.db2.gz YUUMNXDAHMADOA-DINDLPBHSA-N 0 3 321.417 3.946 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000825311842 1030784765 /nfs/dbraw/zinc/78/47/65/1030784765.db2.gz OQVPBIWBRUUXQJ-INIZCTEOSA-N 0 3 321.417 3.586 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000926949754 1031012421 /nfs/dbraw/zinc/01/24/21/1031012421.db2.gz NSRCGPNFKCGLEK-PKIKSRDPSA-N 0 3 303.299 3.868 20 10 DHCDHN CCc1onc(C)c1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000927140593 1031114936 /nfs/dbraw/zinc/11/49/36/1031114936.db2.gz QZUSKDLCHBYHFZ-GFCCVEGCSA-N 0 3 314.429 3.981 20 10 DHCDHN COc1ccc(O)c(CNCc2ccc(C3CC3)cc2F)c1 ZINC000292706000 1031134267 /nfs/dbraw/zinc/13/42/67/1031134267.db2.gz CWCXFAZBUAXGIT-UHFFFAOYSA-N 0 3 301.361 3.707 20 10 DHCDHN Oc1ccc(Br)cc1CNc1c[nH]cc2ccnc1-2 ZINC001171178418 1031558492 /nfs/dbraw/zinc/55/84/92/1031558492.db2.gz ZLMAADXTSXSHOP-UHFFFAOYSA-N 0 3 318.174 3.643 20 10 DHCDHN Oc1ccc(Br)cc1CNc1cncc2cc[nH]c21 ZINC001171178418 1031558515 /nfs/dbraw/zinc/55/85/15/1031558515.db2.gz ZLMAADXTSXSHOP-UHFFFAOYSA-N 0 3 318.174 3.643 20 10 DHCDHN CC[C@@H](OCC[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000846018130 1031808434 /nfs/dbraw/zinc/80/84/34/1031808434.db2.gz IIMIPDJMRCPPFI-GOSISDBHSA-N 0 3 315.413 3.658 20 10 DHCDHN CC[C@H](N[C@@H](c1ccccc1F)[C@H](C)O)c1ccccc1O ZINC000846013579 1031809130 /nfs/dbraw/zinc/80/91/30/1031809130.db2.gz MUPSIFBFPPZXDI-ULFGMLNVSA-N 0 3 303.377 3.694 20 10 DHCDHN CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@H](C)O)c1ccccc1[O-] ZINC000846013579 1031809144 /nfs/dbraw/zinc/80/91/44/1031809144.db2.gz MUPSIFBFPPZXDI-ULFGMLNVSA-N 0 3 303.377 3.694 20 10 DHCDHN CCOc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c([O-])c1 ZINC000846031848 1031822238 /nfs/dbraw/zinc/82/22/38/1031822238.db2.gz CPIMRHZMQPXTJY-LSDHHAIUSA-N 0 3 301.789 3.585 20 10 DHCDHN CC1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])c2cc(F)ccc2O1 ZINC000846053312 1031844479 /nfs/dbraw/zinc/84/44/79/1031844479.db2.gz UPSDCFINADKZIE-OAHLLOKOSA-N 0 3 301.361 3.923 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000897882842 1031868139 /nfs/dbraw/zinc/86/81/39/1031868139.db2.gz WLMVSAKJOVJVCY-AULYBMBSSA-N 0 3 319.351 3.715 20 10 DHCDHN FC(F)O[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000781531451 1031870314 /nfs/dbraw/zinc/87/03/14/1031870314.db2.gz CFAAEXTVDPICEK-KRWDZBQOSA-N 0 3 324.415 3.881 20 10 DHCDHN COc1cc(Cl)cc(CN2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846104840 1031876035 /nfs/dbraw/zinc/87/60/35/1031876035.db2.gz MRBKFNMVPGQJGS-CQSZACIVSA-N 0 3 317.763 3.675 20 10 DHCDHN COc1cccc([C@H](C)N[C@H]2CCOc3ccc(F)cc32)c1O ZINC000846150278 1031885694 /nfs/dbraw/zinc/88/56/94/1031885694.db2.gz CSEPXAABAVJREE-NHYWBVRUSA-N 0 3 317.360 3.714 20 10 DHCDHN COc1cccc([C@H](C)NC2(c3ccccc3OC)CC2)c1O ZINC000846172826 1031897117 /nfs/dbraw/zinc/89/71/17/1031897117.db2.gz MTAWUPXZJSQYPI-ZDUSSCGKSA-N 0 3 313.397 3.749 20 10 DHCDHN C[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846207228 1031910282 /nfs/dbraw/zinc/91/02/82/1031910282.db2.gz MDHJHXAJNCPPCK-MAUKXSAKSA-N 0 3 321.424 3.760 20 10 DHCDHN C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142527473 1031910398 /nfs/dbraw/zinc/91/03/98/1031910398.db2.gz WAHDDBYPNQXKQI-GJZGRUSLSA-N 0 3 324.415 3.509 20 10 DHCDHN C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142527473 1031910404 /nfs/dbraw/zinc/91/04/04/1031910404.db2.gz WAHDDBYPNQXKQI-GJZGRUSLSA-N 0 3 324.415 3.509 20 10 DHCDHN Cc1ccc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)c(O)c1C ZINC000846183489 1031917528 /nfs/dbraw/zinc/91/75/28/1031917528.db2.gz OTZXEBRGIZBYFR-SUNYJGFJSA-N 0 3 317.404 3.921 20 10 DHCDHN Cc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846184487 1031917744 /nfs/dbraw/zinc/91/77/44/1031917744.db2.gz SENSKZWEOKGZMQ-VEVIJQCQSA-N 0 3 303.377 3.612 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c([O-])c1 ZINC000877548313 1033349723 /nfs/dbraw/zinc/34/97/23/1033349723.db2.gz VPHAMLLQUQBUCP-YVEFUNNKSA-N 0 3 303.427 3.554 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c([O-])c1 ZINC000877575962 1033366783 /nfs/dbraw/zinc/36/67/83/1033366783.db2.gz GBYNLMZNVPJESP-QGZVFWFLSA-N 0 3 317.454 3.756 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCO2 ZINC000126669384 1033415896 /nfs/dbraw/zinc/41/58/96/1033415896.db2.gz HLTTVZXCJDDQLR-AWEZNQCLSA-N 0 3 324.424 3.649 20 10 DHCDHN Cc1ccc(CN2Cc3cccc(O)c3C2)c(-c2ccnn2C)c1 ZINC000877703038 1033417532 /nfs/dbraw/zinc/41/75/32/1033417532.db2.gz PBBXJOVPROKRQS-UHFFFAOYSA-N 0 3 319.408 3.617 20 10 DHCDHN Cc1ccc(C[N@@H+]2Cc3cccc([O-])c3C2)c(-c2ccnn2C)c1 ZINC000877703038 1033417541 /nfs/dbraw/zinc/41/75/41/1033417541.db2.gz PBBXJOVPROKRQS-UHFFFAOYSA-N 0 3 319.408 3.617 20 10 DHCDHN Cc1ccc(C[N@H+]2Cc3cccc([O-])c3C2)c(-c2ccnn2C)c1 ZINC000877703038 1033417546 /nfs/dbraw/zinc/41/75/46/1033417546.db2.gz PBBXJOVPROKRQS-UHFFFAOYSA-N 0 3 319.408 3.617 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000877755865 1033432500 /nfs/dbraw/zinc/43/25/00/1033432500.db2.gz PMMIORSPZIXBGT-SNVBAGLBSA-N 0 3 311.303 3.967 20 10 DHCDHN COc1cc2c(c(C[NH2+][C@H](C)c3ccccc3[O-])c1)O[C@@H](C)C2 ZINC000877756610 1033435177 /nfs/dbraw/zinc/43/51/77/1033435177.db2.gz XQNVZKOGZHYDSU-QWHCGFSZSA-N 0 3 313.397 3.575 20 10 DHCDHN C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1ccccc1O ZINC000877756503 1033435539 /nfs/dbraw/zinc/43/55/39/1033435539.db2.gz NJCUOCXIOITVIK-IAQYHMDHSA-N 0 3 304.415 3.551 20 10 DHCDHN C[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccccc1[O-] ZINC000877756503 1033435542 /nfs/dbraw/zinc/43/55/42/1033435542.db2.gz NJCUOCXIOITVIK-IAQYHMDHSA-N 0 3 304.415 3.551 20 10 DHCDHN CC[N@H+](Cc1ccccc1[O-])C1Cc2cc(F)c(F)cc2C1 ZINC001173484768 1033741074 /nfs/dbraw/zinc/74/10/74/1033741074.db2.gz WIVNQNRFORUMQC-UHFFFAOYSA-N 0 3 303.352 3.660 20 10 DHCDHN CC[N@@H+](Cc1ccccc1[O-])C1Cc2cc(F)c(F)cc2C1 ZINC001173484768 1033741090 /nfs/dbraw/zinc/74/10/90/1033741090.db2.gz WIVNQNRFORUMQC-UHFFFAOYSA-N 0 3 303.352 3.660 20 10 DHCDHN CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC001173617257 1033805199 /nfs/dbraw/zinc/80/51/99/1033805199.db2.gz NYRYRVDMNOMBPV-ZTCUZBCZSA-N 0 3 317.429 3.555 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccnc(F)c2C)cc1 ZINC000862272359 1033807335 /nfs/dbraw/zinc/80/73/35/1033807335.db2.gz NOBXATNEIDYVCD-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN C[C@@H](NCc1cc2c(cc1Cl)OCCO2)c1ccccc1O ZINC000879648939 1034071014 /nfs/dbraw/zinc/07/10/14/1034071014.db2.gz GSGWFYRSFYBIBM-LLVKDONJSA-N 0 3 319.788 3.668 20 10 DHCDHN Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649060 1034072395 /nfs/dbraw/zinc/07/23/95/1034072395.db2.gz KTGGKXBQVIAUDF-HUUCEWRRSA-N 0 3 312.413 3.687 20 10 DHCDHN CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647844 1034072565 /nfs/dbraw/zinc/07/25/65/1034072565.db2.gz NJVLNAPDCUKUNK-CQSZACIVSA-N 0 3 312.413 3.805 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1C ZINC000879652014 1034074313 /nfs/dbraw/zinc/07/43/13/1034074313.db2.gz TYXZGDYAPVWLMJ-LSDHHAIUSA-N 0 3 312.413 3.687 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1C ZINC000879652013 1034074458 /nfs/dbraw/zinc/07/44/58/1034074458.db2.gz TYXZGDYAPVWLMJ-GJZGRUSLSA-N 0 3 312.413 3.687 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000178228976 1034220795 /nfs/dbraw/zinc/22/07/95/1034220795.db2.gz AGUSOLNBCFSTLW-AWEZNQCLSA-N 0 3 301.409 3.918 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000178529840 1034247611 /nfs/dbraw/zinc/24/76/11/1034247611.db2.gz UGBSCMAYQHWPCI-ZDUSSCGKSA-N 0 3 302.393 3.751 20 10 DHCDHN COc1cccc(CN2CCSC[C@H]2c2ccccc2)c1O ZINC000128380807 1034313411 /nfs/dbraw/zinc/31/34/11/1034313411.db2.gz XOCNEBJQJZVTDJ-INIZCTEOSA-N 0 3 315.438 3.691 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000183445222 1034388723 /nfs/dbraw/zinc/38/87/23/1034388723.db2.gz YEUPDFNRLHTWFF-GJZGRUSLSA-N 0 3 314.404 3.708 20 10 DHCDHN CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183518083 1034397587 /nfs/dbraw/zinc/39/75/87/1034397587.db2.gz SOFOLKSRIJLRLL-IFXJQAMLSA-N 0 3 315.413 3.564 20 10 DHCDHN CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(C)cc1[O-] ZINC000794796572 1034468539 /nfs/dbraw/zinc/46/85/39/1034468539.db2.gz VIXPCBMQNRIPFW-KRWDZBQOSA-N 0 3 318.461 3.534 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794814538 1034519698 /nfs/dbraw/zinc/51/96/98/1034519698.db2.gz LSMCSPIFRFQDJH-UKRRQHHQSA-N 0 3 322.449 3.655 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(C)cc1[O-] ZINC000794812732 1034519974 /nfs/dbraw/zinc/51/99/74/1034519974.db2.gz FHUGWXIHZMRMQN-MJGOQNOKSA-N 0 3 313.441 3.653 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000186010610 1034592446 /nfs/dbraw/zinc/59/24/46/1034592446.db2.gz ZOJGSVCXVXHYAS-ZUZCIYMTSA-N 0 3 305.324 3.845 20 10 DHCDHN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000186131064 1034602056 /nfs/dbraw/zinc/60/20/56/1034602056.db2.gz WNNJUJFPCCLOJP-OCCSQVGLSA-N 0 3 309.413 3.859 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(F)ccc1[O-] ZINC000186610223 1034650385 /nfs/dbraw/zinc/65/03/85/1034650385.db2.gz SDHDAZSXMRAHSR-GFCCVEGCSA-N 0 3 303.377 3.610 20 10 DHCDHN CCSc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccn1 ZINC000187792255 1034734086 /nfs/dbraw/zinc/73/40/86/1034734086.db2.gz FGFIXYILQHFYJI-LLVKDONJSA-N 0 3 306.406 3.889 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccc(Cl)c1 ZINC001175419214 1034974686 /nfs/dbraw/zinc/97/46/86/1034974686.db2.gz TYKRBLFPYCIJHK-NWDGAFQWSA-N 0 3 318.804 3.723 20 10 DHCDHN O=C1c2cccc(Nc3ncc[nH]3)c2C(=O)c2cccc(Cl)c21 ZINC001176084824 1035192703 /nfs/dbraw/zinc/19/27/03/1035192703.db2.gz FILLYNZPSCIAPT-UHFFFAOYSA-N 0 3 323.739 3.582 20 10 DHCDHN CCCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1C ZINC001177416149 1035369924 /nfs/dbraw/zinc/36/99/24/1035369924.db2.gz IJQYVGWXIJFBRC-UHFFFAOYSA-N 0 3 314.385 3.982 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCc3c2cccc3F)cc1F ZINC001179608273 1035485601 /nfs/dbraw/zinc/48/56/01/1035485601.db2.gz WRKRUGSVXWGUML-KRWDZBQOSA-N 0 3 302.368 3.808 20 10 DHCDHN CN(C)c1ccc(/C=C\CN[C@H]2CCCc3cccnc32)cc1 ZINC001179706447 1035493416 /nfs/dbraw/zinc/49/34/16/1035493416.db2.gz PCZUKBCORRAYKG-UTSMFGRCSA-N 0 3 307.441 3.828 20 10 DHCDHN COc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000101601330 1036119776 /nfs/dbraw/zinc/11/97/76/1036119776.db2.gz KDIOLDHVOLVNCF-UHFFFAOYSA-N 0 3 300.358 3.510 20 10 DHCDHN C[C@H]([NH2+]CCCN1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774110589 1036170735 /nfs/dbraw/zinc/17/07/35/1036170735.db2.gz DMQDNXIXKFSSRO-NSHDSACASA-N 0 3 317.260 3.836 20 10 DHCDHN CCCN(Cc1ccccc1F)Cc1cc(OC)ccc1O ZINC000775653610 1036236507 /nfs/dbraw/zinc/23/65/07/1036236507.db2.gz KGGSLYWLPFVXRY-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN Cc1cccc(CN2CCC[C@H]2c2nc3ccccc3n2C)c1O ZINC000775657736 1036261369 /nfs/dbraw/zinc/26/13/69/1036261369.db2.gz GYZRRGBUTOFKBE-SFHVURJKSA-N 0 3 321.424 3.924 20 10 DHCDHN Cc1cc(Cl)cc(CN2CCC[N@@H+](C3CCCC3)CC2)c1[O-] ZINC000775668037 1036313863 /nfs/dbraw/zinc/31/38/63/1036313863.db2.gz QPHKBOGWKRKWCT-UHFFFAOYSA-N 0 3 322.880 3.804 20 10 DHCDHN Cc1cc(Cl)cc(CN2CCC[N@H+](C3CCCC3)CC2)c1[O-] ZINC000775668037 1036313883 /nfs/dbraw/zinc/31/38/83/1036313883.db2.gz QPHKBOGWKRKWCT-UHFFFAOYSA-N 0 3 322.880 3.804 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000152061682 1036835581 /nfs/dbraw/zinc/83/55/81/1036835581.db2.gz BOCJPIGFSFORBT-CQSZACIVSA-N 0 3 312.413 3.722 20 10 DHCDHN Cc1cc([O-])c(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199329342 1037244768 /nfs/dbraw/zinc/24/47/68/1037244768.db2.gz RBZRGRULQBZLRN-GASCZTMLSA-N 0 3 324.896 3.812 20 10 DHCDHN Cc1cc([O-])c(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199329342 1037244783 /nfs/dbraw/zinc/24/47/83/1037244783.db2.gz RBZRGRULQBZLRN-GASCZTMLSA-N 0 3 324.896 3.812 20 10 DHCDHN COc1ccc(O)c(CNCc2ccccc2OCC(C)C)c1 ZINC000776037137 1037373163 /nfs/dbraw/zinc/37/31/63/1037373163.db2.gz CWAKUBMQEMSDOR-UHFFFAOYSA-N 0 3 315.413 3.725 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccccc1[O-] ZINC000156075268 1037455351 /nfs/dbraw/zinc/45/53/51/1037455351.db2.gz RERXDGCSHWSCDT-KSSFIOAISA-N 0 3 315.413 3.909 20 10 DHCDHN COc1ccccc1-c1cc(CN[C@H](C)c2ccccc2O)on1 ZINC000775130445 1037657244 /nfs/dbraw/zinc/65/72/44/1037657244.db2.gz KWCFCBXRXASQHI-CYBMUJFWSA-N 0 3 324.380 3.907 20 10 DHCDHN COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776231121 1037982709 /nfs/dbraw/zinc/98/27/09/1037982709.db2.gz MJBWINNTLUBCAF-QGZVFWFLSA-N 0 3 319.832 3.701 20 10 DHCDHN C[C@@H](NCc1cc2ccccc2[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000775360236 1038272600 /nfs/dbraw/zinc/27/26/00/1038272600.db2.gz BDHSLIXBCPJANO-CQSZACIVSA-N 0 3 321.424 3.857 20 10 DHCDHN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000775365804 1038279724 /nfs/dbraw/zinc/27/97/24/1038279724.db2.gz XSDVKZHKLIRAMW-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN Cc1cc(CCN[C@@H](C)c2nccn2C)c(C)n1-c1ccccc1 ZINC000775365176 1038280160 /nfs/dbraw/zinc/28/01/60/1038280160.db2.gz OOIQMNOMUIEPKP-INIZCTEOSA-N 0 3 322.456 3.721 20 10 DHCDHN CCCN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775484713 1038551144 /nfs/dbraw/zinc/55/11/44/1038551144.db2.gz HURAGPWNYRSRKU-INIZCTEOSA-N 0 3 310.869 3.961 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000775485343 1038551930 /nfs/dbraw/zinc/55/19/30/1038551930.db2.gz RCTXCRFXIQBGNX-INIZCTEOSA-N 0 3 308.853 3.713 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775493280 1038570403 /nfs/dbraw/zinc/57/04/03/1038570403.db2.gz WXICDCCGKNTXIR-LRDDRELGSA-N 0 3 308.853 3.571 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)c1ccccc1[O-] ZINC000775496808 1038579897 /nfs/dbraw/zinc/57/98/97/1038579897.db2.gz LTRVJKFENWLLGP-QAPCUYQASA-N 0 3 310.441 3.884 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1[O-] ZINC000775500638 1038589846 /nfs/dbraw/zinc/58/98/46/1038589846.db2.gz VSIFYZQOGHGQEL-IBGZPJMESA-N 0 3 321.424 3.861 20 10 DHCDHN CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccccc1[O-] ZINC000775539375 1038686929 /nfs/dbraw/zinc/68/69/29/1038686929.db2.gz CHLCLVORBFEUEW-HNNXBMFYSA-N 0 3 311.381 3.851 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccccc1[O-] ZINC000775552015 1038709665 /nfs/dbraw/zinc/70/96/65/1038709665.db2.gz RGQDYKSHHPFEQJ-RHSMWYFYSA-N 0 3 303.402 3.674 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(Br)c1 ZINC000226588008 1039727131 /nfs/dbraw/zinc/72/71/31/1039727131.db2.gz JPAXDSXQZGZDCU-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN CCSCC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169089893 1040303518 /nfs/dbraw/zinc/30/35/18/1040303518.db2.gz IQLACIYJHNLYLB-JTQLQIEISA-N 0 3 303.855 3.676 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1[O-] ZINC000761203931 1040577460 /nfs/dbraw/zinc/57/74/60/1040577460.db2.gz ZMHGWUAKQYWEQJ-MRXNPFEDSA-N 0 3 317.816 3.871 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1[O-] ZINC000761203931 1040577470 /nfs/dbraw/zinc/57/74/70/1040577470.db2.gz ZMHGWUAKQYWEQJ-MRXNPFEDSA-N 0 3 317.816 3.871 20 10 DHCDHN CCC(CC)[N@H+](CCOC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228629710 1041017373 /nfs/dbraw/zinc/01/73/73/1041017373.db2.gz HNRKLUMLGJXVAJ-UHFFFAOYSA-N 0 3 315.841 3.691 20 10 DHCDHN CCC(CC)[N@@H+](CCOC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228629710 1041017383 /nfs/dbraw/zinc/01/73/83/1041017383.db2.gz HNRKLUMLGJXVAJ-UHFFFAOYSA-N 0 3 315.841 3.691 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(Cl)cc2)c1[O-] ZINC000076274298 191608621 /nfs/dbraw/zinc/60/86/21/191608621.db2.gz UHGLLEGVUULAGK-UHFFFAOYSA-N 0 3 312.196 3.997 20 10 DHCDHN CCOc1ccc(O)c(CN(C)[C@H](C)c2cccc(O)c2)c1 ZINC000093316100 193230138 /nfs/dbraw/zinc/23/01/38/193230138.db2.gz UTHDLDJVHMBEJH-CYBMUJFWSA-N 0 3 301.386 3.690 20 10 DHCDHN COc1cccc(CN(C)[C@@H]2CCCc3nc(C)sc32)c1O ZINC000093365100 193239891 /nfs/dbraw/zinc/23/98/91/193239891.db2.gz CUCQKHFATGSUFT-CQSZACIVSA-N 0 3 318.442 3.675 20 10 DHCDHN Cc1cc([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)c(C)s1 ZINC000042880027 183316964 /nfs/dbraw/zinc/31/69/64/183316964.db2.gz HZDOSJKHJVXPDO-SNVBAGLBSA-N 0 3 305.399 3.650 20 10 DHCDHN Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000272460580 130033128 /nfs/dbraw/zinc/03/31/28/130033128.db2.gz QPSLFBNAEKVPAC-QGZVFWFLSA-N 0 3 321.424 3.715 20 10 DHCDHN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000272460580 130033129 /nfs/dbraw/zinc/03/31/29/130033129.db2.gz QPSLFBNAEKVPAC-QGZVFWFLSA-N 0 3 321.424 3.715 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1[O-] ZINC000272875606 130070823 /nfs/dbraw/zinc/07/08/23/130070823.db2.gz POUVPNGPSABCFO-HNNXBMFYSA-N 0 3 311.429 3.628 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c([O-])c1C ZINC000273297208 130103864 /nfs/dbraw/zinc/10/38/64/130103864.db2.gz AIKJDBBRBVOQRO-CXAGYDPISA-N 0 3 303.377 3.532 20 10 DHCDHN COc1ccc(OC)c(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000273388767 130115581 /nfs/dbraw/zinc/11/55/81/130115581.db2.gz KDNOZVPVKVYSCU-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)c([O-])c1C ZINC000273401819 130117089 /nfs/dbraw/zinc/11/70/89/130117089.db2.gz NGZWXYITTULHFV-HNNXBMFYSA-N 0 3 309.413 3.550 20 10 DHCDHN COCC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000273401102 130117253 /nfs/dbraw/zinc/11/72/53/130117253.db2.gz GLJCRPJKBMZWHM-WFASDCNBSA-N 0 3 307.365 3.861 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273449252 130123838 /nfs/dbraw/zinc/12/38/38/130123838.db2.gz FRCQZWBXELFEMP-ZDUSSCGKSA-N 0 3 300.358 3.502 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500986 130129843 /nfs/dbraw/zinc/12/98/43/130129843.db2.gz QDFBMKMUESISND-LSDHHAIUSA-N 0 3 321.486 3.796 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c(O)c1C ZINC000273539512 130133213 /nfs/dbraw/zinc/13/32/13/130133213.db2.gz XZVBDJVUIZNOGL-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273532206 130133801 /nfs/dbraw/zinc/13/38/01/130133801.db2.gz WRQGGUPRQUMEHZ-KFWWJZLASA-N 0 3 303.446 3.737 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000274901762 130271417 /nfs/dbraw/zinc/27/14/17/130271417.db2.gz LJVWEMZSUBEBDE-HNNXBMFYSA-N 0 3 300.358 3.584 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c([O-])c1 ZINC000284069372 131046191 /nfs/dbraw/zinc/04/61/91/131046191.db2.gz LEVCVHYVOZVHME-DYVFJYSZSA-N 0 3 305.443 3.629 20 10 DHCDHN Cc1nc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])sc1C ZINC000284949497 131125922 /nfs/dbraw/zinc/12/59/22/131125922.db2.gz FBIODYUTKZKNLD-CYBMUJFWSA-N 0 3 304.459 3.976 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000285109772 131139005 /nfs/dbraw/zinc/13/90/05/131139005.db2.gz KRVTYBASXCJTCO-CQSZACIVSA-N 0 3 313.397 3.631 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286138805 131221420 /nfs/dbraw/zinc/22/14/20/131221420.db2.gz OUIMVYOLLVCSRO-YOEHRIQHSA-N 0 3 308.441 3.692 20 10 DHCDHN CN(C)c1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000286733556 131248426 /nfs/dbraw/zinc/24/84/26/131248426.db2.gz HIWHRDRVGXZXEU-SFHVURJKSA-N 0 3 318.848 3.619 20 10 DHCDHN C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000286939549 131256220 /nfs/dbraw/zinc/25/62/20/131256220.db2.gz GTXPJZGRMKCMHK-MEDUHNTESA-N 0 3 323.795 3.959 20 10 DHCDHN COCCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000287342707 131276101 /nfs/dbraw/zinc/27/61/01/131276101.db2.gz GLIRREZACROEBG-HNNXBMFYSA-N 0 3 315.413 3.658 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000287641197 131292301 /nfs/dbraw/zinc/29/23/01/131292301.db2.gz UQBVSLBETXUULX-JKIFEVAISA-N 0 3 303.446 3.594 20 10 DHCDHN COc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2[O-])c(C)c1OC ZINC000288565038 131331255 /nfs/dbraw/zinc/33/12/55/131331255.db2.gz ZDWUYWNREVAOOU-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CC)COCC(F)(F)F)c1ccccc1[O-] ZINC000295196774 131889224 /nfs/dbraw/zinc/88/92/24/131889224.db2.gz YAZYIVOLWMCXBW-WCQYABFASA-N 0 3 305.340 3.790 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000297229027 132005246 /nfs/dbraw/zinc/00/52/46/132005246.db2.gz HSTRIKOUSBVDPZ-NWDGAFQWSA-N 0 3 305.340 3.709 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000297386599 132013216 /nfs/dbraw/zinc/01/32/16/132013216.db2.gz RKXNCHIWIZFMHW-MWLCHTKSSA-N 0 3 309.303 3.539 20 10 DHCDHN COc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc2n1 ZINC000297890535 132039290 /nfs/dbraw/zinc/03/92/90/132039290.db2.gz VNDLHEDSNPFXBS-KRWDZBQOSA-N 0 3 320.392 3.726 20 10 DHCDHN C[C@H](c1ccccc1)[N@H+](CCc1cn[nH]c1)Cc1ccccc1[O-] ZINC000298553892 132067781 /nfs/dbraw/zinc/06/77/81/132067781.db2.gz VBSIRRVSRIRJOH-MRXNPFEDSA-N 0 3 321.424 3.921 20 10 DHCDHN C[C@H](c1ccccc1)[N@@H+](CCc1cn[nH]c1)Cc1ccccc1[O-] ZINC000298553892 132067782 /nfs/dbraw/zinc/06/77/82/132067782.db2.gz VBSIRRVSRIRJOH-MRXNPFEDSA-N 0 3 321.424 3.921 20 10 DHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1OC ZINC000074336382 331671046 /nfs/dbraw/zinc/67/10/46/331671046.db2.gz QRHLRRDFLABROL-AWEZNQCLSA-N 0 3 314.429 3.621 20 10 DHCDHN Cc1cc(CN[C@@H](CCCO)c2ccccc2)ccc1N(C)C ZINC000293875427 335115455 /nfs/dbraw/zinc/11/54/55/335115455.db2.gz SYGXVKRNDFJQLX-IBGZPJMESA-N 0 3 312.457 3.664 20 10 DHCDHN C[C@@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294028543 335117217 /nfs/dbraw/zinc/11/72/17/335117217.db2.gz FJPYDCPZODDGFH-APWZRJJASA-N 0 3 313.441 3.817 20 10 DHCDHN CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccccc1[O-] ZINC000120652904 333304787 /nfs/dbraw/zinc/30/47/87/333304787.db2.gz BDIMLQKTWYLHEC-INIZCTEOSA-N 0 3 309.413 3.791 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517698 333373989 /nfs/dbraw/zinc/37/39/89/333373989.db2.gz WGAPAMGFCALPRN-CQSZACIVSA-N 0 3 322.449 3.656 20 10 DHCDHN C[C@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000296562208 335146493 /nfs/dbraw/zinc/14/64/93/335146493.db2.gz ULSZEMPBOYCENW-YJBOKZPZSA-N 0 3 317.816 3.530 20 10 DHCDHN Cc1cccc2oc(CC[NH2+][C@H](C)c3cc(F)ccc3[O-])nc21 ZINC000273466020 334047436 /nfs/dbraw/zinc/04/74/36/334047436.db2.gz DSBODTMCBUQDRK-GFCCVEGCSA-N 0 3 314.360 3.874 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000285414415 334147625 /nfs/dbraw/zinc/14/76/25/334147625.db2.gz XXVSVYRJUNGNMJ-GUYCJALGSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc(O)c(CNCc2c(F)cccc2N2CCCC2)c1 ZINC000285424162 334147919 /nfs/dbraw/zinc/14/79/19/334147919.db2.gz DUUJVOAPPLIUTJ-UHFFFAOYSA-N 0 3 314.404 3.730 20 10 DHCDHN COc1ccncc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000294402954 334209186 /nfs/dbraw/zinc/20/91/86/334209186.db2.gz SOVHTYGIQWRVIB-ZDUSSCGKSA-N 0 3 312.413 3.525 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000367056898 335607606 /nfs/dbraw/zinc/60/76/06/335607606.db2.gz CVTODJYPRWSQQX-PBHICJAKSA-N 0 3 312.413 3.612 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2c[nH]nc2c1 ZINC000355128679 336495775 /nfs/dbraw/zinc/49/57/75/336495775.db2.gz VSCPBMYERMTNST-UHFFFAOYSA-N 0 3 304.397 3.653 20 10 DHCDHN COc1ccccc1C1CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000368603060 336848932 /nfs/dbraw/zinc/84/89/32/336848932.db2.gz PYMXSSMLAUPCGV-UHFFFAOYSA-N 0 3 301.361 3.576 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000370222028 336880011 /nfs/dbraw/zinc/88/00/11/336880011.db2.gz KDAYJMOXOUZXQT-HOCLYGCPSA-N 0 3 319.445 3.600 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(C)cc1[O-] ZINC000370277234 336881577 /nfs/dbraw/zinc/88/15/77/336881577.db2.gz SYLKIHJLYOANMB-KRWDZBQOSA-N 0 3 322.412 3.522 20 10 DHCDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1cc(C)ccc1O ZINC000371869747 336915219 /nfs/dbraw/zinc/91/52/19/336915219.db2.gz KEOUWNQXRLDQCK-DYVFJYSZSA-N 0 3 313.397 3.884 20 10 DHCDHN Cc1csc(NC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)n1 ZINC000373491492 336962230 /nfs/dbraw/zinc/96/22/30/336962230.db2.gz ZTYMUAAJMAVMTL-UHFFFAOYSA-N 0 3 317.458 3.542 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000305750357 337035511 /nfs/dbraw/zinc/03/55/11/337035511.db2.gz ZHUKPQQIOQOBHJ-WMZOPIPTSA-N 0 3 315.413 3.854 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000305750357 337035512 /nfs/dbraw/zinc/03/55/12/337035512.db2.gz ZHUKPQQIOQOBHJ-WMZOPIPTSA-N 0 3 315.413 3.854 20 10 DHCDHN CCOc1cccc(CN(C)[C@@H]2CCCc3cccnc32)c1O ZINC000377244484 337049284 /nfs/dbraw/zinc/04/92/84/337049284.db2.gz LQRSAIGCMFXNTP-MRXNPFEDSA-N 0 3 312.413 3.695 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377693881 337058747 /nfs/dbraw/zinc/05/87/47/337058747.db2.gz DCTUSPRLCRQHQN-XIRDDKMYSA-N 0 3 317.454 3.613 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377693881 337058748 /nfs/dbraw/zinc/05/87/48/337058748.db2.gz DCTUSPRLCRQHQN-XIRDDKMYSA-N 0 3 317.454 3.613 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000377695798 337058812 /nfs/dbraw/zinc/05/88/12/337058812.db2.gz IJNLBZSDBITIPL-NXHRZFHOSA-N 0 3 315.388 3.790 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000377695798 337058813 /nfs/dbraw/zinc/05/88/13/337058813.db2.gz IJNLBZSDBITIPL-NXHRZFHOSA-N 0 3 315.388 3.790 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c([O-])c1 ZINC000185125474 337203228 /nfs/dbraw/zinc/20/32/28/337203228.db2.gz OQYLZTLGOVYCAS-OAHLLOKOSA-N 0 3 307.397 3.737 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189469236 337279314 /nfs/dbraw/zinc/27/93/14/337279314.db2.gz KTMLZRWFHAABMU-DYVFJYSZSA-N 0 3 313.397 3.884 20 10 DHCDHN CCOc1ccc(O)c(CNCc2ccc(Cl)cc2F)c1 ZINC000189193270 521152187 /nfs/dbraw/zinc/15/21/87/521152187.db2.gz SZCXBICFFCFQBT-UHFFFAOYSA-N 0 3 309.768 3.873 20 10 DHCDHN CCc1ccccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157935557 521843279 /nfs/dbraw/zinc/84/32/79/521843279.db2.gz RONIKKGEXJBEKF-KRWDZBQOSA-N 0 3 324.468 3.936 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000156408898 522918835 /nfs/dbraw/zinc/91/88/35/522918835.db2.gz VWINWMIWAZZQSK-MSOLQXFVSA-N 0 3 315.413 3.565 20 10 DHCDHN Cc1ccc(O)c(CNCc2ccc(OC(C)(C)C)nc2)c1 ZINC000180890916 525352971 /nfs/dbraw/zinc/35/29/71/525352971.db2.gz FTBFZNFVLGFWHS-UHFFFAOYSA-N 0 3 300.402 3.563 20 10 DHCDHN C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])Cc1ccccc1 ZINC000188914632 525854882 /nfs/dbraw/zinc/85/48/82/525854882.db2.gz CBZPGFPFLCVYDZ-RZQQEMMASA-N 0 3 313.441 3.673 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1ccc(C)cc1[O-] ZINC000280297843 535920611 /nfs/dbraw/zinc/92/06/11/535920611.db2.gz ZQHSVVHBEUKUHU-INIZCTEOSA-N 0 3 315.413 3.959 20 10 DHCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000272905134 536934310 /nfs/dbraw/zinc/93/43/10/536934310.db2.gz VUUPGWRLLYIAIU-PJIJBLCYSA-N 0 3 315.413 3.828 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001167982270 1013474843 /nfs/dbraw/zinc/47/48/43/1013474843.db2.gz BGEGIRPZRVAIFY-ZAWLATJESA-N 0 3 315.457 3.809 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001167982270 1013474849 /nfs/dbraw/zinc/47/48/49/1013474849.db2.gz BGEGIRPZRVAIFY-ZAWLATJESA-N 0 3 315.457 3.809 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc(F)cc2)c1[O-] ZINC000076274320 1013853666 /nfs/dbraw/zinc/85/36/66/1013853666.db2.gz TUGQCMRPJZCULW-UHFFFAOYSA-N 0 3 309.768 3.526 20 10 DHCDHN COc1ccccc1OCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000783508187 1014892973 /nfs/dbraw/zinc/89/29/73/1014892973.db2.gz IBGDSUFIQHQMRR-CQSZACIVSA-N 0 3 301.386 3.521 20 10 DHCDHN CCc1cccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1[O-] ZINC000895822087 1015318374 /nfs/dbraw/zinc/31/83/74/1015318374.db2.gz MTZUUDTXLZXILX-GOSISDBHSA-N 0 3 303.446 3.784 20 10 DHCDHN CC[N@H+](CCc1cccs1)Cc1ccc(OC)c(OC)c1[O-] ZINC000891690714 1015534436 /nfs/dbraw/zinc/53/44/36/1015534436.db2.gz CNJUZXBQSRDYBX-UHFFFAOYSA-N 0 3 321.442 3.536 20 10 DHCDHN CC[N@@H+](CCc1cccs1)Cc1ccc(OC)c(OC)c1[O-] ZINC000891690714 1015534445 /nfs/dbraw/zinc/53/44/45/1015534445.db2.gz CNJUZXBQSRDYBX-UHFFFAOYSA-N 0 3 321.442 3.536 20 10 DHCDHN COc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)c(O)c1OC ZINC000892195327 1016395535 /nfs/dbraw/zinc/39/55/35/1016395535.db2.gz PQBLHSHROFIZLJ-GUYCJALGSA-N 0 3 313.397 3.602 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1C(C)(C)C ZINC000475197363 1017067787 /nfs/dbraw/zinc/06/77/87/1017067787.db2.gz MQQVXJOIDBMOPF-UHFFFAOYSA-N 0 3 310.445 3.797 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)c([O-])c1 ZINC000877493651 1033321700 /nfs/dbraw/zinc/32/17/00/1033321700.db2.gz NMDUJGZIXYPOKN-BYCMXARLSA-N 0 3 303.427 3.744 20 10 DHCDHN Cc1cccc(O)c1CNCc1ccc(OC(F)F)cc1F ZINC000877730344 1033423724 /nfs/dbraw/zinc/42/37/24/1033423724.db2.gz XBLJYQAXKLQRMN-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000289827472 1012862888 /nfs/dbraw/zinc/86/28/88/1012862888.db2.gz PFCDDFNKUOYFLU-QKYXUNIQSA-N 0 3 311.425 3.517 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915388 1032727154 /nfs/dbraw/zinc/72/71/54/1032727154.db2.gz KQGOQSFDCSWOTQ-ZLDLUXBVSA-N 0 3 317.351 3.933 20 10 DHCDHN COc1cc(Cl)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278419323 1018677598 /nfs/dbraw/zinc/67/75/98/1018677598.db2.gz RFUQKYYKCKIENQ-VIFPVBQESA-N 0 3 323.742 3.829 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000278419323 1018677602 /nfs/dbraw/zinc/67/76/02/1018677602.db2.gz RFUQKYYKCKIENQ-VIFPVBQESA-N 0 3 323.742 3.829 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000278419323 1018677608 /nfs/dbraw/zinc/67/76/08/1018677608.db2.gz RFUQKYYKCKIENQ-VIFPVBQESA-N 0 3 323.742 3.829 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282529646 1018914209 /nfs/dbraw/zinc/91/42/09/1018914209.db2.gz VFCREGWGSMDHEY-RDTXWAMCSA-N 0 3 312.461 3.604 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785457833 1018998791 /nfs/dbraw/zinc/99/87/91/1018998791.db2.gz IQFBPTZUBZKSMG-CQSZACIVSA-N 0 3 322.449 3.517 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785457833 1018998799 /nfs/dbraw/zinc/99/87/99/1018998799.db2.gz IQFBPTZUBZKSMG-CQSZACIVSA-N 0 3 322.449 3.517 20 10 DHCDHN CC[C@@H](NCc1c(C)nn(CC)c1C)c1ccc(N(C)C)cc1 ZINC000765661287 1019034980 /nfs/dbraw/zinc/03/49/80/1019034980.db2.gz YCRAWETXUSJBDL-LJQANCHMSA-N 0 3 314.477 3.827 20 10 DHCDHN CCOc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c([O-])c1 ZINC000858241985 1032812555 /nfs/dbraw/zinc/81/25/55/1032812555.db2.gz LVJQHNRSKGJVND-UHFFFAOYSA-N 0 3 314.429 3.562 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc(OC)c(F)c1)c1ccccc1[O-] ZINC000186168874 1019225751 /nfs/dbraw/zinc/22/57/51/1019225751.db2.gz PBVWNLLMAWLIFY-INIZCTEOSA-N 0 3 303.377 3.823 20 10 DHCDHN Cc1cc(CNCc2cn(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000858292571 1032830736 /nfs/dbraw/zinc/83/07/36/1032830736.db2.gz BDRNFRFGRCJQMB-UHFFFAOYSA-N 0 3 322.456 3.734 20 10 DHCDHN CCN(CC)c1ccc(CNCc2n[nH]c3ccccc23)cc1 ZINC000727467366 1019720210 /nfs/dbraw/zinc/72/02/10/1019720210.db2.gz UOCPVGGDNHFIGY-UHFFFAOYSA-N 0 3 308.429 3.699 20 10 DHCDHN CCN(CC)c1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000727467366 1019720222 /nfs/dbraw/zinc/72/02/22/1019720222.db2.gz UOCPVGGDNHFIGY-UHFFFAOYSA-N 0 3 308.429 3.699 20 10 DHCDHN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000727824178 1019821456 /nfs/dbraw/zinc/82/14/56/1019821456.db2.gz NWCZPDBVBHBZOQ-CQSZACIVSA-N 0 3 313.397 3.706 20 10 DHCDHN CC[C@@H]1CCC[N@H+]1Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000727824178 1019821469 /nfs/dbraw/zinc/82/14/69/1019821469.db2.gz NWCZPDBVBHBZOQ-CQSZACIVSA-N 0 3 313.397 3.706 20 10 DHCDHN CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)c([O-])c1 ZINC000731678670 1020136104 /nfs/dbraw/zinc/13/61/04/1020136104.db2.gz WWOWKYZLTAULBK-UHFFFAOYSA-N 0 3 313.397 3.578 20 10 DHCDHN CN1CCCc2cc(CNCc3scnc3C3CC3)ccc21 ZINC000785442082 1020222652 /nfs/dbraw/zinc/22/26/52/1020222652.db2.gz OIDMDLJTQTZRGD-UHFFFAOYSA-N 0 3 313.470 3.693 20 10 DHCDHN C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000733325212 1020372342 /nfs/dbraw/zinc/37/23/42/1020372342.db2.gz FBAZKUDDOHLFPV-KBPBESRZSA-N 0 3 324.896 3.892 20 10 DHCDHN COc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)c([O-])c1 ZINC000733330147 1020376730 /nfs/dbraw/zinc/37/67/30/1020376730.db2.gz PNRXQCCKSPFTBU-UHFFFAOYSA-N 0 3 309.768 3.526 20 10 DHCDHN COc1ccc(OC)c(CN(Cc2ccccc2O)C2CC2)c1 ZINC000179557147 1020408880 /nfs/dbraw/zinc/40/88/80/1020408880.db2.gz NOIACIQRBGUCEC-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000154823991 1020720904 /nfs/dbraw/zinc/72/09/04/1020720904.db2.gz XLFVDOIUKNAAPS-QZTJIDSGSA-N 0 3 316.420 3.875 20 10 DHCDHN CCOc1cccc(CNCc2ccc3ccccc3n2)c1O ZINC000725848000 1020739942 /nfs/dbraw/zinc/73/99/42/1020739942.db2.gz MEHKRUIIQCWMEG-UHFFFAOYSA-N 0 3 308.381 3.629 20 10 DHCDHN CCn1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000735676628 1020759074 /nfs/dbraw/zinc/75/90/74/1020759074.db2.gz XKUVDDPDRPCYSR-UHFFFAOYSA-N 0 3 307.397 3.565 20 10 DHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000742371051 1021113364 /nfs/dbraw/zinc/11/33/64/1021113364.db2.gz GPWWZTNEJVGNDJ-QGZVFWFLSA-N 0 3 322.880 3.932 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cc(F)ccc1[O-] ZINC000176981694 1021189253 /nfs/dbraw/zinc/18/92/53/1021189253.db2.gz LCVOHFUWMPQMOJ-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN CCOCc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000176985647 1021191874 /nfs/dbraw/zinc/19/18/74/1021191874.db2.gz DYOYKVUXOQKOPS-ZDUSSCGKSA-N 0 3 303.377 3.919 20 10 DHCDHN Cc1cc(O)c(CN2CCO[C@H]3CCCC[C@@H]32)cc1C(C)C ZINC000917473336 1021270685 /nfs/dbraw/zinc/27/06/85/1021270685.db2.gz PWYUFVYPDXKFAE-HKUYNNGSSA-N 0 3 303.446 3.967 20 10 DHCDHN Cc1cc(O)c(CN2CCO[C@@H]3CCCC[C@H]32)cc1C(C)C ZINC000917473337 1021271513 /nfs/dbraw/zinc/27/15/13/1021271513.db2.gz PWYUFVYPDXKFAE-IEBWSBKVSA-N 0 3 303.446 3.967 20 10 DHCDHN COc1cc(CN[C@@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850006887 1021393885 /nfs/dbraw/zinc/39/38/85/1021393885.db2.gz FCCLRFNLKUFPNY-ZDUSSCGKSA-N 0 3 314.429 3.944 20 10 DHCDHN COc1cc(CNCc2ccoc2C)c(O)c(C(C)(C)C)c1 ZINC000850069130 1021410101 /nfs/dbraw/zinc/41/01/01/1021410101.db2.gz KFPRDEHZUCHXJO-UHFFFAOYSA-N 0 3 303.402 3.890 20 10 DHCDHN COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c([O-])c1 ZINC000850389396 1021504692 /nfs/dbraw/zinc/50/46/92/1021504692.db2.gz WHJYNDWEMJGJRS-IRXDYDNUSA-N 0 3 319.445 3.617 20 10 DHCDHN Cc1ccncc1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850504874 1021565752 /nfs/dbraw/zinc/56/57/52/1021565752.db2.gz HCMMLIORISHQFZ-CYBMUJFWSA-N 0 3 304.821 3.951 20 10 DHCDHN COc1cccc(OC)c1CN[C@H](C)c1ccc(C)cc1O ZINC000850505850 1021567028 /nfs/dbraw/zinc/56/70/28/1021567028.db2.gz ZNSDXRAWFHDMMQ-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1ccncc1CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850508200 1021568469 /nfs/dbraw/zinc/56/84/69/1021568469.db2.gz SBNQVNWHAYERDE-SWLSCSKDSA-N 0 3 300.377 3.615 20 10 DHCDHN CC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529811 1021582931 /nfs/dbraw/zinc/58/29/31/1021582931.db2.gz UBKJDGIWLGWYQO-SLFFLAALSA-N 0 3 310.441 3.972 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c([O-])c1 ZINC000850532823 1021587987 /nfs/dbraw/zinc/58/79/87/1021587987.db2.gz XNJJHWDBHPLXJB-NJAFHUGGSA-N 0 3 311.425 3.924 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000850572785 1021614794 /nfs/dbraw/zinc/61/47/94/1021614794.db2.gz GMBYUSXZCHVELQ-MOXGXCLJSA-N 0 3 313.441 3.906 20 10 DHCDHN C[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850583550 1021622417 /nfs/dbraw/zinc/62/24/17/1021622417.db2.gz LJSDXZVJSMFDGM-FEJNDBLASA-N 0 3 315.388 3.791 20 10 DHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCSCC1 ZINC000182977458 1021913413 /nfs/dbraw/zinc/91/34/13/1021913413.db2.gz VYYPKKQAWYEYEC-UHFFFAOYSA-N 0 3 315.438 3.520 20 10 DHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCSCC1 ZINC000182977458 1021913430 /nfs/dbraw/zinc/91/34/30/1021913430.db2.gz VYYPKKQAWYEYEC-UHFFFAOYSA-N 0 3 315.438 3.520 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccccc1[O-] ZINC000183539281 1022180375 /nfs/dbraw/zinc/18/03/75/1022180375.db2.gz WEAZPRMKYMHTBO-LSDHHAIUSA-N 0 3 307.397 3.990 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000854225286 1022432822 /nfs/dbraw/zinc/43/28/22/1022432822.db2.gz BRBMAVUBYNPBNI-VFVAKGGASA-N 0 3 312.388 3.939 20 10 DHCDHN C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000186001091 1022541512 /nfs/dbraw/zinc/54/15/12/1022541512.db2.gz ZSMKCDZKPGQRDJ-JTQLQIEISA-N 0 3 311.303 3.539 20 10 DHCDHN COCCC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000183935490 1022566226 /nfs/dbraw/zinc/56/62/26/1022566226.db2.gz XYJQFUXSYOTLHF-AWEZNQCLSA-N 0 3 305.462 3.984 20 10 DHCDHN CN1CCC[C@H]1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000767396346 1022709741 /nfs/dbraw/zinc/70/97/41/1022709741.db2.gz DKQXMMBWSNZKMS-KRWDZBQOSA-N 0 3 302.462 3.621 20 10 DHCDHN CN1CCC[C@H]1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000767396346 1022709757 /nfs/dbraw/zinc/70/97/57/1022709757.db2.gz DKQXMMBWSNZKMS-KRWDZBQOSA-N 0 3 302.462 3.621 20 10 DHCDHN Cc1noc([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000068962495 1022829187 /nfs/dbraw/zinc/82/91/87/1022829187.db2.gz USUAREDCKOHUQX-HNNXBMFYSA-N 0 3 323.396 3.616 20 10 DHCDHN Cc1noc([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000068962495 1022829206 /nfs/dbraw/zinc/82/92/06/1022829206.db2.gz USUAREDCKOHUQX-HNNXBMFYSA-N 0 3 323.396 3.616 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(F)nc1)C1CCCC1 ZINC000189347749 1022848129 /nfs/dbraw/zinc/84/81/29/1022848129.db2.gz JKHDGYSKJHOGDD-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(F)nc1)C1CCCC1 ZINC000189347749 1022848142 /nfs/dbraw/zinc/84/81/42/1022848142.db2.gz JKHDGYSKJHOGDD-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN Cc1cc(C)c(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)c([O-])c1 ZINC001169982854 1022883466 /nfs/dbraw/zinc/88/34/66/1022883466.db2.gz WQBCSRCPYBTVBA-UHFFFAOYSA-N 0 3 306.450 3.509 20 10 DHCDHN CCN(Cc1sccc1OC)Cc1ccc(N(C)C)cc1 ZINC000768134710 1022902479 /nfs/dbraw/zinc/90/24/79/1022902479.db2.gz TTWHKCBVQSIBOE-UHFFFAOYSA-N 0 3 304.459 3.845 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000768162062 1022908143 /nfs/dbraw/zinc/90/81/43/1022908143.db2.gz KGVAPDDWDAUUQL-SJLPKXTDSA-N 0 3 301.430 3.730 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000768162062 1022908151 /nfs/dbraw/zinc/90/81/51/1022908151.db2.gz KGVAPDDWDAUUQL-SJLPKXTDSA-N 0 3 301.430 3.730 20 10 DHCDHN CCOc1ccc(O)c(CN2CCc3sccc3[C@@H]2C)c1 ZINC000768206734 1022915672 /nfs/dbraw/zinc/91/56/72/1022915672.db2.gz DPUOONFPNRKCMG-LBPRGKRZSA-N 0 3 303.427 3.972 20 10 DHCDHN CCOc1ccc(C[N@H+](C)CCOc2ccccc2C)c([O-])c1 ZINC000768214000 1022927837 /nfs/dbraw/zinc/92/78/37/1022927837.db2.gz XYDHSQBKOYIKIU-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)CCOc2ccccc2C)c([O-])c1 ZINC000768214000 1022927841 /nfs/dbraw/zinc/92/78/41/1022927841.db2.gz XYDHSQBKOYIKIU-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1CO ZINC000857061283 1022939838 /nfs/dbraw/zinc/93/98/38/1022939838.db2.gz NNNZKCDVUUCCDL-DNVCBOLYSA-N 0 3 311.425 3.510 20 10 DHCDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1CO ZINC000857061283 1022939844 /nfs/dbraw/zinc/93/98/44/1022939844.db2.gz NNNZKCDVUUCCDL-DNVCBOLYSA-N 0 3 311.425 3.510 20 10 DHCDHN CC[N@H+](Cc1c([O-])cccc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000768519814 1022977912 /nfs/dbraw/zinc/97/79/12/1022977912.db2.gz IGWRVEGQJDMXJX-AWEZNQCLSA-N 0 3 315.413 3.993 20 10 DHCDHN CC[N@@H+](Cc1c([O-])cccc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000768519814 1022977915 /nfs/dbraw/zinc/97/79/15/1022977915.db2.gz IGWRVEGQJDMXJX-AWEZNQCLSA-N 0 3 315.413 3.993 20 10 DHCDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768912648 1023055493 /nfs/dbraw/zinc/05/54/93/1023055493.db2.gz ATNOTDBFHWAYCJ-VBQJREDUSA-N 0 3 322.880 3.883 20 10 DHCDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768912648 1023055502 /nfs/dbraw/zinc/05/55/02/1023055502.db2.gz ATNOTDBFHWAYCJ-VBQJREDUSA-N 0 3 322.880 3.883 20 10 DHCDHN C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000192874023 1023062684 /nfs/dbraw/zinc/06/26/84/1023062684.db2.gz XGFYTGYXILHWNZ-INIZCTEOSA-N 0 3 310.441 3.707 20 10 DHCDHN CCOc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC000769059859 1023082326 /nfs/dbraw/zinc/08/23/26/1023082326.db2.gz MSVZMPLBJWVQQG-UHFFFAOYSA-N 0 3 307.434 3.570 20 10 DHCDHN Cc1ccc(CN2CCCC2)cc1NC(=O)C1=CC(=O)CS1 ZINC000769366494 1023132265 /nfs/dbraw/zinc/13/22/65/1023132265.db2.gz UCRGZPJZVMRPNA-UHFFFAOYSA-N 0 3 316.426 3.610 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000769387721 1023137860 /nfs/dbraw/zinc/13/78/60/1023137860.db2.gz AUJMDROOMAGYNZ-UHFFFAOYSA-N 0 3 315.388 3.920 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000769390587 1023139486 /nfs/dbraw/zinc/13/94/86/1023139486.db2.gz ZGLWJECUJOGTDY-UHFFFAOYSA-N 0 3 315.388 3.920 20 10 DHCDHN C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769389499 1023140146 /nfs/dbraw/zinc/14/01/46/1023140146.db2.gz PJHDGUQHBJLCIG-CQSZACIVSA-N 0 3 303.406 3.569 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000769426286 1023146239 /nfs/dbraw/zinc/14/62/39/1023146239.db2.gz DXJBGXSIOFAEAO-UHFFFAOYSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000769426286 1023146243 /nfs/dbraw/zinc/14/62/43/1023146243.db2.gz DXJBGXSIOFAEAO-UHFFFAOYSA-N 0 3 315.388 3.747 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000769499961 1023166983 /nfs/dbraw/zinc/16/69/83/1023166983.db2.gz YAADKMRHWLUSCP-NVXWUHKLSA-N 0 3 307.459 3.651 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000769499961 1023166984 /nfs/dbraw/zinc/16/69/84/1023166984.db2.gz YAADKMRHWLUSCP-NVXWUHKLSA-N 0 3 307.459 3.651 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769513565 1023171726 /nfs/dbraw/zinc/17/17/26/1023171726.db2.gz BQWFNCJLJWPRGI-RTBURBONSA-N 0 3 323.436 3.918 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769513565 1023171739 /nfs/dbraw/zinc/17/17/39/1023171739.db2.gz BQWFNCJLJWPRGI-RTBURBONSA-N 0 3 323.436 3.918 20 10 DHCDHN CCOCc1cc(CN[C@H](C)c2cnccc2C)ccc1OC ZINC000770744768 1023347315 /nfs/dbraw/zinc/34/73/15/1023347315.db2.gz BIILGNPWCSPZNK-OAHLLOKOSA-N 0 3 314.429 3.786 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@H]3CCCCO3)c2c1 ZINC000125323438 1023476918 /nfs/dbraw/zinc/47/69/18/1023476918.db2.gz AWONDXOFYZQCAV-MRXNPFEDSA-N 0 3 315.413 3.555 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@H]3CCCCO3)c2c1 ZINC000125323438 1023476923 /nfs/dbraw/zinc/47/69/23/1023476923.db2.gz AWONDXOFYZQCAV-MRXNPFEDSA-N 0 3 315.413 3.555 20 10 DHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000771933504 1023489745 /nfs/dbraw/zinc/48/97/45/1023489745.db2.gz KLFMUWLCVYBGRW-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000771933504 1023489748 /nfs/dbraw/zinc/48/97/48/1023489748.db2.gz KLFMUWLCVYBGRW-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1[O-] ZINC000788268467 1023870210 /nfs/dbraw/zinc/87/02/10/1023870210.db2.gz ZGOWQMKTPYUBHX-HNNXBMFYSA-N 0 3 321.852 3.617 20 10 DHCDHN CCOc1ncccc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000788519953 1023899897 /nfs/dbraw/zinc/89/98/97/1023899897.db2.gz OYCHYJUARVETNK-CQSZACIVSA-N 0 3 300.402 3.654 20 10 DHCDHN COc1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000788527464 1023906763 /nfs/dbraw/zinc/90/67/63/1023906763.db2.gz VZEURSVDSYKQIW-OAHLLOKOSA-N 0 3 311.429 3.541 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000270648019 1024412254 /nfs/dbraw/zinc/41/22/54/1024412254.db2.gz LCOOTJZQIVRAPV-MAUKXSAKSA-N 0 3 321.461 3.864 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c([O-])c1 ZINC000790995114 1024415913 /nfs/dbraw/zinc/41/59/13/1024415913.db2.gz MGXJVERHJKJACO-KRWDZBQOSA-N 0 3 319.445 3.762 20 10 DHCDHN C[C@@H](CCNCc1c([O-])ccc(Cl)c1F)[NH+]1CCCCC1 ZINC000790986569 1024425803 /nfs/dbraw/zinc/42/58/03/1024425803.db2.gz PVAWKYVQKQCOEQ-LBPRGKRZSA-N 0 3 314.832 3.539 20 10 DHCDHN Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3O)c2cc1C ZINC000109768981 1024695447 /nfs/dbraw/zinc/69/54/47/1024695447.db2.gz NOOLGKNVWMIBAS-UHFFFAOYSA-N 0 3 323.392 3.747 20 10 DHCDHN Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccccc3[O-])c2cc1C ZINC000109768981 1024695454 /nfs/dbraw/zinc/69/54/54/1024695454.db2.gz NOOLGKNVWMIBAS-UHFFFAOYSA-N 0 3 323.392 3.747 20 10 DHCDHN Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3ccccc3[O-])c2cc1C ZINC000109768981 1024695463 /nfs/dbraw/zinc/69/54/63/1024695463.db2.gz NOOLGKNVWMIBAS-UHFFFAOYSA-N 0 3 323.392 3.747 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000877116530 1033244727 /nfs/dbraw/zinc/24/47/27/1033244727.db2.gz PMBFSRISKQJIPK-SFHVURJKSA-N 0 3 313.441 3.593 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793303898 1024977357 /nfs/dbraw/zinc/97/73/57/1024977357.db2.gz HEHWBAGTDQISQT-MRXNPFEDSA-N 0 3 301.361 3.707 20 10 DHCDHN Oc1ccccc1CNCc1ccc(Br)cc1F ZINC000134236318 1025029731 /nfs/dbraw/zinc/02/97/31/1025029731.db2.gz CMRZSYRTDOQZMZ-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN CCCCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793386455 1025030234 /nfs/dbraw/zinc/03/02/34/1025030234.db2.gz RABBHHDBSCGGMC-UHFFFAOYSA-N 0 3 315.413 3.870 20 10 DHCDHN CCCCOc1ccccc1CNCc1ccc(OC)cc1O ZINC000793386455 1025030243 /nfs/dbraw/zinc/03/02/43/1025030243.db2.gz RABBHHDBSCGGMC-UHFFFAOYSA-N 0 3 315.413 3.870 20 10 DHCDHN COc1ccc(C[NH2+]C[C@@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000793390333 1025031270 /nfs/dbraw/zinc/03/12/70/1025031270.db2.gz OULMHMPHVDNXFO-GFCCVEGCSA-N 0 3 305.805 3.948 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279609478 1025091269 /nfs/dbraw/zinc/09/12/69/1025091269.db2.gz XFCPLPZUPKYPBW-DOTOQJQBSA-N 0 3 323.795 3.959 20 10 DHCDHN Cc1ccc(O)c(CN[C@@H](C)c2ccc(Br)cn2)c1 ZINC000279643240 1025119978 /nfs/dbraw/zinc/11/99/78/1025119978.db2.gz DCLVITAZGYQMSS-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877337182 1033286999 /nfs/dbraw/zinc/28/69/99/1033286999.db2.gz RFYIDJALDBGNGD-HKUYNNGSSA-N 0 3 315.388 3.850 20 10 DHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc2onc(C)c2c1 ZINC000893872138 1025586270 /nfs/dbraw/zinc/58/62/70/1025586270.db2.gz PWBBHEMVFFEYEM-UHFFFAOYSA-N 0 3 324.428 3.619 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805749233 1025658428 /nfs/dbraw/zinc/65/84/28/1025658428.db2.gz WWTGLVQNWVSVPO-NVXWUHKLSA-N 0 3 319.832 3.690 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000236934557 1025762038 /nfs/dbraw/zinc/76/20/38/1025762038.db2.gz RJPFDMQDRYLTCU-FQEVSTJZSA-N 0 3 312.457 3.530 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141070 1025801241 /nfs/dbraw/zinc/80/12/41/1025801241.db2.gz FOZIFMJCQJCUJV-WWGRRREGSA-N 0 3 310.869 3.959 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000806180968 1025833882 /nfs/dbraw/zinc/83/38/82/1025833882.db2.gz UNHISIHBSRWCCA-ZFWWWQNUSA-N 0 3 319.832 3.781 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000806179382 1025836322 /nfs/dbraw/zinc/83/63/22/1025836322.db2.gz CEXKOLXHFUZDFQ-AAEUAGOBSA-N 0 3 323.795 3.611 20 10 DHCDHN C[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOC2(CCC2)C1 ZINC000886777017 1025899200 /nfs/dbraw/zinc/89/92/00/1025899200.db2.gz VXYVXQGKHLPAJI-YJBOKZPZSA-N 0 3 301.430 3.709 20 10 DHCDHN COc1ccc(C)cc1[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894153858 1026198393 /nfs/dbraw/zinc/19/83/93/1026198393.db2.gz OBCHECDYBLQBMS-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190857 1026221575 /nfs/dbraw/zinc/22/15/75/1026221575.db2.gz KHRUJEJBKZXHMG-DNVCBOLYSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190857 1026221590 /nfs/dbraw/zinc/22/15/90/1026221590.db2.gz KHRUJEJBKZXHMG-DNVCBOLYSA-N 0 3 310.441 3.604 20 10 DHCDHN CCOC1CC([N@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000808212047 1026234141 /nfs/dbraw/zinc/23/41/41/1026234141.db2.gz IINZPSOXINGQPG-UHFFFAOYSA-N 0 3 315.413 3.553 20 10 DHCDHN CCOC1CC([N@@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000808212047 1026234153 /nfs/dbraw/zinc/23/41/53/1026234153.db2.gz IINZPSOXINGQPG-UHFFFAOYSA-N 0 3 315.413 3.553 20 10 DHCDHN CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC000289953822 1026248911 /nfs/dbraw/zinc/24/89/11/1026248911.db2.gz YTALMUJTZBQNAX-UHFFFAOYSA-N 0 3 309.837 3.745 20 10 DHCDHN CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC000289953822 1026248922 /nfs/dbraw/zinc/24/89/22/1026248922.db2.gz YTALMUJTZBQNAX-UHFFFAOYSA-N 0 3 309.837 3.745 20 10 DHCDHN Oc1ccccc1CNCc1cc(F)c(C(F)(F)F)cc1F ZINC000808428715 1026299789 /nfs/dbraw/zinc/29/97/89/1026299789.db2.gz MYMSYPNGMNUUEH-UHFFFAOYSA-N 0 3 317.257 3.979 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)C2CCCC2)c1[O-] ZINC000808691517 1026349083 /nfs/dbraw/zinc/34/90/83/1026349083.db2.gz IRYYCFHKZKOLBU-ZDUSSCGKSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccccc2O)c1[O-] ZINC000808689393 1026349535 /nfs/dbraw/zinc/34/95/35/1026349535.db2.gz BOHZNYMUFNWYTA-GFCCVEGCSA-N 0 3 305.805 3.953 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CN2CCCCC2)c1[O-] ZINC000808675751 1026354137 /nfs/dbraw/zinc/35/41/37/1026354137.db2.gz RDVGSYNQEAWBBP-KBPBESRZSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000808707242 1026358769 /nfs/dbraw/zinc/35/87/69/1026358769.db2.gz IVGJPWGCBFQPED-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c1[O-] ZINC000808710614 1026359691 /nfs/dbraw/zinc/35/96/91/1026359691.db2.gz SJCGKVCWRVBNSD-LRDDRELGSA-N 0 3 311.853 3.802 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699063 1026373570 /nfs/dbraw/zinc/37/35/70/1026373570.db2.gz RKGWDXCPTYDQJH-CYBMUJFWSA-N 0 3 321.852 3.990 20 10 DHCDHN CCCCN(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000808733627 1026384369 /nfs/dbraw/zinc/38/43/69/1026384369.db2.gz YXUIZZPSDBOWNU-KCQAQPDRSA-N 0 3 308.441 3.790 20 10 DHCDHN CCCCN(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000808733628 1026385101 /nfs/dbraw/zinc/38/51/01/1026385101.db2.gz YXUIZZPSDBOWNU-VNHYZAJKSA-N 0 3 308.441 3.790 20 10 DHCDHN COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])c(C)c1OC ZINC000809780325 1026623118 /nfs/dbraw/zinc/62/31/18/1026623118.db2.gz UQLCJFFJBLIBII-LBPRGKRZSA-N 0 3 319.376 3.708 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1[O-] ZINC000809788469 1026627662 /nfs/dbraw/zinc/62/76/62/1026627662.db2.gz RNXPUTYVLZVKBL-BZNIZROVSA-N 0 3 303.789 3.966 20 10 DHCDHN Cc1cc(Cl)cc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788469 1026627668 /nfs/dbraw/zinc/62/76/68/1026627668.db2.gz RNXPUTYVLZVKBL-BZNIZROVSA-N 0 3 303.789 3.966 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000811518437 1027020521 /nfs/dbraw/zinc/02/05/21/1027020521.db2.gz KMHUVLYLQLKKHI-DOTOQJQBSA-N 0 3 321.848 3.888 20 10 DHCDHN Fc1cc(CNCc2ccc3c(c2)CCO3)ccc1OC(F)F ZINC000271887298 1027169851 /nfs/dbraw/zinc/16/98/51/1027169851.db2.gz QZPWZHRBIRXQHV-UHFFFAOYSA-N 0 3 323.314 3.652 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCF)c1[O-] ZINC000812737813 1027382221 /nfs/dbraw/zinc/38/22/21/1027382221.db2.gz ZQUUYZLQXJLHIS-SNVBAGLBSA-N 0 3 304.203 3.863 20 10 DHCDHN C[C@@H](NCc1cccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000295855930 1027461567 /nfs/dbraw/zinc/46/15/67/1027461567.db2.gz BGGXDGYSLOBPHW-SECBINFHSA-N 0 3 314.282 3.796 20 10 DHCDHN CCCCOc1ncccc1CN[C@H]1CCc2cccc(O)c21 ZINC000296221430 1027579296 /nfs/dbraw/zinc/57/92/96/1027579296.db2.gz ZUPCXKCKHVLJCS-INIZCTEOSA-N 0 3 312.413 3.743 20 10 DHCDHN CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC000158721475 1027620363 /nfs/dbraw/zinc/62/03/63/1027620363.db2.gz NKUZNCGAZPINIE-KRWDZBQOSA-N 0 3 320.820 3.778 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000047828486 1027705361 /nfs/dbraw/zinc/70/53/61/1027705361.db2.gz YBKYVTCKBLGHKL-AWEZNQCLSA-N 0 3 324.424 3.739 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000778999470 1027744522 /nfs/dbraw/zinc/74/45/22/1027744522.db2.gz NAFMFXJRDVHSRR-SFHVURJKSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000778999470 1027744539 /nfs/dbraw/zinc/74/45/39/1027744539.db2.gz NAFMFXJRDVHSRR-SFHVURJKSA-N 0 3 315.388 3.713 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000813877312 1027747766 /nfs/dbraw/zinc/74/77/66/1027747766.db2.gz RNHBWUDSOFSEFW-VHSXEESVSA-N 0 3 305.249 3.547 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000813883494 1027751848 /nfs/dbraw/zinc/75/18/48/1027751848.db2.gz NRKMDCHWOMYVFA-WMLDXEAASA-N 0 3 314.404 3.851 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccco2)c1[O-] ZINC000779005313 1027764132 /nfs/dbraw/zinc/76/41/32/1027764132.db2.gz IIJZEUWCKSYRGP-LLVKDONJSA-N 0 3 324.218 3.949 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000364621020 1027854324 /nfs/dbraw/zinc/85/43/24/1027854324.db2.gz GIDXNIKYJMJJQV-CRAIPNDOSA-N 0 3 301.386 3.818 20 10 DHCDHN CCOc1ccc(O)c(CN2Cc3ccccc3O[C@H](C)C2)c1 ZINC000814177526 1027914409 /nfs/dbraw/zinc/91/44/09/1027914409.db2.gz FUHQKAHEQNOEKB-CQSZACIVSA-N 0 3 313.397 3.574 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000365614510 1027981193 /nfs/dbraw/zinc/98/11/93/1027981193.db2.gz UMLMTZRKEKHVDW-UKRRQHHQSA-N 0 3 305.809 3.640 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000365614510 1027981211 /nfs/dbraw/zinc/98/12/11/1027981211.db2.gz UMLMTZRKEKHVDW-UKRRQHHQSA-N 0 3 305.809 3.640 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(C)cc1[O-] ZINC000366472212 1028083240 /nfs/dbraw/zinc/08/32/40/1028083240.db2.gz KZNDOIRGBFMRCL-ZOCIIQOWSA-N 0 3 311.425 3.962 20 10 DHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170759261 1028160029 /nfs/dbraw/zinc/16/00/29/1028160029.db2.gz BDPCSQBZRKOOIU-RBJNIJBHSA-N 0 3 324.468 3.980 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2cnc3n2CCCC3)cc1 ZINC000367437861 1028185747 /nfs/dbraw/zinc/18/57/47/1028185747.db2.gz KAQMHFHTCIJZLX-HNNXBMFYSA-N 0 3 312.461 3.526 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000368815695 1028412022 /nfs/dbraw/zinc/41/20/22/1028412022.db2.gz GEDJBJRUEKEWKL-NRFANRHFSA-N 0 3 319.404 3.985 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000368815695 1028412024 /nfs/dbraw/zinc/41/20/24/1028412024.db2.gz GEDJBJRUEKEWKL-NRFANRHFSA-N 0 3 319.404 3.985 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1[O-] ZINC000368819703 1028413694 /nfs/dbraw/zinc/41/36/94/1028413694.db2.gz XBDKDTAELKUHBX-ZDUSSCGKSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c1[O-] ZINC000368819703 1028413697 /nfs/dbraw/zinc/41/36/97/1028413697.db2.gz XBDKDTAELKUHBX-ZDUSSCGKSA-N 0 3 309.837 3.745 20 10 DHCDHN CC[C@H](N[C@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769958 1028526881 /nfs/dbraw/zinc/52/68/81/1028526881.db2.gz CRTNFDAHPAQUGT-KDOFPFPSSA-N 0 3 313.445 3.958 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)c1[O-] ZINC000370020190 1028555638 /nfs/dbraw/zinc/55/56/38/1028555638.db2.gz MVOUMFZHMZLIHN-SUMWQHHRSA-N 0 3 317.816 3.665 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c([O-])c1 ZINC000815585543 1028557036 /nfs/dbraw/zinc/55/70/36/1028557036.db2.gz KJZVMZPBAFWTNZ-CQSZACIVSA-N 0 3 307.434 3.782 20 10 DHCDHN Cn1ccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000815599245 1028564576 /nfs/dbraw/zinc/56/45/76/1028564576.db2.gz ONQIUATTZWREQO-IBGZPJMESA-N 0 3 321.424 3.589 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000370553192 1028618709 /nfs/dbraw/zinc/61/87/09/1028618709.db2.gz CAHPKHOCRZUOSA-NVXWUHKLSA-N 0 3 324.424 3.867 20 10 DHCDHN COc1ccsc1[C@@H](C)NCc1ccc2c(c1)CCN2C ZINC000372418574 1028853594 /nfs/dbraw/zinc/85/35/94/1028853594.db2.gz WPBOCHKHVXEWJG-GFCCVEGCSA-N 0 3 302.443 3.600 20 10 DHCDHN C[NH+](C)CCN(Cc1ccco1)Cc1ccc2ccccc2c1[O-] ZINC000816611192 1028960466 /nfs/dbraw/zinc/96/04/66/1028960466.db2.gz JXQIIJWAXOEHAJ-UHFFFAOYSA-N 0 3 324.424 3.702 20 10 DHCDHN [O-]c1c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816666939 1028982564 /nfs/dbraw/zinc/98/25/64/1028982564.db2.gz YKYZDAGNNXTWQE-WOJBJXKFSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816666939 1028982576 /nfs/dbraw/zinc/98/25/76/1028982576.db2.gz YKYZDAGNNXTWQE-WOJBJXKFSA-N 0 3 309.409 3.689 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(c2ccc(F)cc2)CC1 ZINC000374283979 1029272821 /nfs/dbraw/zinc/27/28/21/1029272821.db2.gz NPSTXNPRGPFGPL-UHFFFAOYSA-N 0 3 314.404 3.632 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(c2ccc(F)cc2)CC1 ZINC000374283979 1029272835 /nfs/dbraw/zinc/27/28/35/1029272835.db2.gz NPSTXNPRGPFGPL-UHFFFAOYSA-N 0 3 314.404 3.632 20 10 DHCDHN CCC(N)(CC)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817960624 1029299651 /nfs/dbraw/zinc/29/96/51/1029299651.db2.gz OZKTTZCJZWTART-SECBINFHSA-N 0 3 305.249 3.867 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971524 1029311707 /nfs/dbraw/zinc/31/17/07/1029311707.db2.gz NQKHHXNIHMFRLG-CWSCBRNRSA-N 0 3 317.260 3.880 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc(F)ccc1[O-] ZINC000817977284 1029314378 /nfs/dbraw/zinc/31/43/78/1029314378.db2.gz GNKPZCLMYRFZDP-GFCCVEGCSA-N 0 3 300.377 3.740 20 10 DHCDHN CC[NH2+][C@H](C)CN[C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974152 1029315236 /nfs/dbraw/zinc/31/52/36/1029315236.db2.gz ZNOZTPOQABHMET-NOZJJQNGSA-N 0 3 305.249 3.738 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1F ZINC000320829306 1029427518 /nfs/dbraw/zinc/42/75/18/1029427518.db2.gz FXGPLWVRCXEHAC-NHYWBVRUSA-N 0 3 301.361 3.878 20 10 DHCDHN C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000290268228 1029973764 /nfs/dbraw/zinc/97/37/64/1029973764.db2.gz XQDZFALMAVUSSN-HOTGVXAUSA-N 0 3 311.425 3.652 20 10 DHCDHN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000290268228 1029973778 /nfs/dbraw/zinc/97/37/78/1029973778.db2.gz XQDZFALMAVUSSN-HOTGVXAUSA-N 0 3 311.425 3.652 20 10 DHCDHN COc1cc(CNCc2ccnc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000865722574 1029990793 /nfs/dbraw/zinc/99/07/93/1029990793.db2.gz KZHMVRUTIOXQSK-UHFFFAOYSA-N 0 3 318.392 3.522 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(C)cc1[O-] ZINC000866539463 1030360035 /nfs/dbraw/zinc/36/00/35/1030360035.db2.gz MHYBPSOYKFRLNG-RYQLBKOJSA-N 0 3 303.446 3.804 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000866612971 1030402040 /nfs/dbraw/zinc/40/20/40/1030402040.db2.gz QAZNJUPKUNANDY-CVEARBPZSA-N 0 3 312.461 3.822 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c([O-])c1 ZINC000866641843 1030418286 /nfs/dbraw/zinc/41/82/86/1030418286.db2.gz WTHXKHOSIKGQHW-CYBMUJFWSA-N 0 3 312.413 3.531 20 10 DHCDHN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1n1ccnc1 ZINC000121626568 1030447743 /nfs/dbraw/zinc/44/77/43/1030447743.db2.gz SLIMOMTWXNTFOL-KXBFYZLASA-N 0 3 321.424 3.825 20 10 DHCDHN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1n1ccnc1 ZINC000121626568 1030447749 /nfs/dbraw/zinc/44/77/49/1030447749.db2.gz SLIMOMTWXNTFOL-KXBFYZLASA-N 0 3 321.424 3.825 20 10 DHCDHN CCOc1cccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)c1[O-] ZINC000291469568 1030516218 /nfs/dbraw/zinc/51/62/18/1030516218.db2.gz DTEDJPVREJDPQE-HNNXBMFYSA-N 0 3 307.434 3.570 20 10 DHCDHN CCOc1cccc(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)c1[O-] ZINC000291469568 1030516225 /nfs/dbraw/zinc/51/62/25/1030516225.db2.gz DTEDJPVREJDPQE-HNNXBMFYSA-N 0 3 307.434 3.570 20 10 DHCDHN CCN(Cc1cc(COC)cs1)Cc1ccc(N(C)C)cc1 ZINC000824485037 1030564669 /nfs/dbraw/zinc/56/46/69/1030564669.db2.gz ZFPFIFONWJZFGH-UHFFFAOYSA-N 0 3 318.486 3.983 20 10 DHCDHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636109 1030596650 /nfs/dbraw/zinc/59/66/50/1030596650.db2.gz LVXGCQAUGUCLAG-HKUYNNGSSA-N 0 3 311.425 3.652 20 10 DHCDHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636109 1030596662 /nfs/dbraw/zinc/59/66/62/1030596662.db2.gz LVXGCQAUGUCLAG-HKUYNNGSSA-N 0 3 311.425 3.652 20 10 DHCDHN COc1cccc(CNCc2ccc(C3CC3)cc2F)c1O ZINC000291798309 1030648690 /nfs/dbraw/zinc/64/86/90/1030648690.db2.gz WVQHBBQDABTQRN-UHFFFAOYSA-N 0 3 301.361 3.707 20 10 DHCDHN Cc1cc([O-])c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000824894554 1030661498 /nfs/dbraw/zinc/66/14/98/1030661498.db2.gz HOHHWAFXYSRFRZ-OAHLLOKOSA-N 0 3 322.880 3.518 20 10 DHCDHN Cc1cc([O-])c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1Cl ZINC000824894554 1030661500 /nfs/dbraw/zinc/66/15/00/1030661500.db2.gz HOHHWAFXYSRFRZ-OAHLLOKOSA-N 0 3 322.880 3.518 20 10 DHCDHN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000825046745 1030708305 /nfs/dbraw/zinc/70/83/05/1030708305.db2.gz XIWVADBMUIBZJP-HNNXBMFYSA-N 0 3 321.424 3.514 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825133637 1030733710 /nfs/dbraw/zinc/73/37/10/1030733710.db2.gz JVDYPCVWLUDIHB-MRXNPFEDSA-N 0 3 311.425 3.966 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1cc(F)ccc1[O-] ZINC000292011651 1030754747 /nfs/dbraw/zinc/75/47/47/1030754747.db2.gz YUUMNXDAHMADOA-PSVSLLHZSA-N 0 3 321.417 3.946 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825338065 1030780868 /nfs/dbraw/zinc/78/08/68/1030780868.db2.gz LAYVCCUMOIMASC-INIZCTEOSA-N 0 3 311.425 3.654 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338065 1030780885 /nfs/dbraw/zinc/78/08/85/1030780885.db2.gz LAYVCCUMOIMASC-INIZCTEOSA-N 0 3 311.425 3.654 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1OCCc3ccccc31)CC2 ZINC000927113233 1031099449 /nfs/dbraw/zinc/09/94/49/1031099449.db2.gz XUUKSHQOTBCGCZ-HKUYNNGSSA-N 0 3 309.409 3.673 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2nccnc2C)c1O ZINC000872134052 1031528707 /nfs/dbraw/zinc/52/87/07/1031528707.db2.gz QUBKFYDKRMNBGB-PWSUYJOCSA-N 0 3 305.809 3.864 20 10 DHCDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000123990983 1031555368 /nfs/dbraw/zinc/55/53/68/1031555368.db2.gz IXIWVKMWRWYGJY-ZDUSSCGKSA-N 0 3 302.393 3.790 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)c1[O-] ZINC000873291775 1031792452 /nfs/dbraw/zinc/79/24/52/1031792452.db2.gz XRXFXSBZJDRAEZ-SNVBAGLBSA-N 0 3 308.784 3.926 20 10 DHCDHN C[C@H](COCC1CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000846071857 1031849704 /nfs/dbraw/zinc/84/97/04/1031849704.db2.gz BGKPWPYOUPNJMP-OAHLLOKOSA-N 0 3 311.425 3.964 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159408 1031891117 /nfs/dbraw/zinc/89/11/17/1031891117.db2.gz OFIMNMILSCMYLJ-VXGBXAGGSA-N 0 3 316.357 3.721 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccc3c(n2)CCCC3)c1O ZINC000846165016 1031894925 /nfs/dbraw/zinc/89/49/25/1031894925.db2.gz KFUPMBKRQVLFFZ-ZDUSSCGKSA-N 0 3 312.413 3.525 20 10 DHCDHN CCC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142814 1031903607 /nfs/dbraw/zinc/90/36/07/1031903607.db2.gz BHDLCULQAWRMER-XJKSGUPXSA-N 0 3 300.402 3.988 20 10 DHCDHN COc1cccc([C@H](C)NCc2cc(Cl)ccc2OC)c1O ZINC000846141489 1031904138 /nfs/dbraw/zinc/90/41/38/1031904138.db2.gz KDEWGBSPCDYBRH-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN COc1ccc(C)cc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846146499 1031909174 /nfs/dbraw/zinc/90/91/74/1031909174.db2.gz JBTFYDQSIMKAPQ-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)CC2 ZINC000846212463 1031943428 /nfs/dbraw/zinc/94/34/28/1031943428.db2.gz DUZLYZISZUFWAJ-RYUDHWBXSA-N 0 3 300.229 3.943 20 10 DHCDHN CC[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000846189880 1031921832 /nfs/dbraw/zinc/92/18/32/1031921832.db2.gz VPXBBJGLVUDCGD-PKOBYXMFSA-N 0 3 303.446 3.947 20 10 DHCDHN Cc1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c([O-])c1 ZINC000877575534 1033365605 /nfs/dbraw/zinc/36/56/05/1033365605.db2.gz XIWNTVQPXDOZHL-UHFFFAOYSA-N 0 3 311.425 3.582 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000877662615 1033401550 /nfs/dbraw/zinc/40/15/50/1033401550.db2.gz STMIKBHZPPOZMU-AEFFLSMTSA-N 0 3 319.351 3.599 20 10 DHCDHN C[C@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccccc1O ZINC000877757197 1033434227 /nfs/dbraw/zinc/43/42/27/1033434227.db2.gz NJCUOCXIOITVIK-NHYWBVRUSA-N 0 3 304.415 3.551 20 10 DHCDHN C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccccc1[O-] ZINC000877757197 1033434234 /nfs/dbraw/zinc/43/42/34/1033434234.db2.gz NJCUOCXIOITVIK-NHYWBVRUSA-N 0 3 304.415 3.551 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1[O-] ZINC000877758372 1033434942 /nfs/dbraw/zinc/43/49/42/1033434942.db2.gz WRDYNORZRCTPGF-AWEZNQCLSA-N 0 3 313.397 3.794 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccccc2O)c(Cl)c1OC ZINC000877756306 1033435105 /nfs/dbraw/zinc/43/51/05/1033435105.db2.gz GDPMVWIEHVNMET-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@@H](NCc1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000152200824 1033507903 /nfs/dbraw/zinc/50/79/03/1033507903.db2.gz YNLYZJYEZGPSTJ-MRXNPFEDSA-N 0 3 312.461 3.651 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1[O-] ZINC000927070994 1033523832 /nfs/dbraw/zinc/52/38/32/1033523832.db2.gz RMIAXUITUWNIBT-SJLPKXTDSA-N 0 3 301.434 3.872 20 10 DHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234022 1033608822 /nfs/dbraw/zinc/60/88/22/1033608822.db2.gz OCLRTZQFWAQTSA-CQSZACIVSA-N 0 3 314.385 3.754 20 10 DHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234022 1033608830 /nfs/dbraw/zinc/60/88/30/1033608830.db2.gz OCLRTZQFWAQTSA-CQSZACIVSA-N 0 3 314.385 3.754 20 10 DHCDHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@@H](C2CC2)C1 ZINC000777221949 1033719943 /nfs/dbraw/zinc/71/99/43/1033719943.db2.gz OKTMAFNNTNZINM-HXUWFJFHSA-N 0 3 309.409 3.670 20 10 DHCDHN CCOc1ccc(C[NH+]2CC(Cc3cccs3)C2)c([O-])c1 ZINC000862539086 1033878481 /nfs/dbraw/zinc/87/84/81/1033878481.db2.gz XCDBMUCJNXKPIV-UHFFFAOYSA-N 0 3 303.427 3.527 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(F)c1 ZINC000879648891 1034069462 /nfs/dbraw/zinc/06/94/62/1034069462.db2.gz FVGAZQGNVZHWTR-OLZOCXBDSA-N 0 3 316.376 3.518 20 10 DHCDHN CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648206 1034070843 /nfs/dbraw/zinc/07/08/43/1034070843.db2.gz DVSRUVFQBWSXJZ-CQSZACIVSA-N 0 3 312.413 3.805 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(F)c1 ZINC000879651661 1034073388 /nfs/dbraw/zinc/07/33/88/1034073388.db2.gz FVGAZQGNVZHWTR-STQMWFEESA-N 0 3 316.376 3.518 20 10 DHCDHN Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650493 1034075193 /nfs/dbraw/zinc/07/51/93/1034075193.db2.gz DCSVUXMMIPIZJL-ZDUSSCGKSA-N 0 3 316.376 3.519 20 10 DHCDHN CC[C@@H](NCc1ccc(N(CC)CC)cc1)c1cnn(C)c1 ZINC000178228043 1034221517 /nfs/dbraw/zinc/22/15/17/1034221517.db2.gz ZHBIDTITWUAOAT-GOSISDBHSA-N 0 3 300.450 3.507 20 10 DHCDHN CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])c1ccco1 ZINC000183468475 1034390408 /nfs/dbraw/zinc/39/04/08/1034390408.db2.gz RVECJWVRCCSWLP-ZBFHGGJFSA-N 0 3 302.418 3.719 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000183632533 1034406809 /nfs/dbraw/zinc/40/68/09/1034406809.db2.gz NZDBIKWUVQLIGW-MGPLVRAMSA-N 0 3 309.768 3.569 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802673 1034472324 /nfs/dbraw/zinc/47/23/24/1034472324.db2.gz OCYTUCJYACALFT-MAUKXSAKSA-N 0 3 311.425 3.993 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794809228 1034517449 /nfs/dbraw/zinc/51/74/49/1034517449.db2.gz DNRFCVPVPGHATI-MSOLQXFVSA-N 0 3 324.424 3.547 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000794815855 1034526691 /nfs/dbraw/zinc/52/66/91/1034526691.db2.gz PTMFGOAUFUWNCX-TZMCWYRMSA-N 0 3 305.340 3.709 20 10 DHCDHN CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817144 1034534689 /nfs/dbraw/zinc/53/46/89/1034534689.db2.gz PKLNUVMHKGSZBY-PKOBYXMFSA-N 0 3 317.404 3.788 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185346260 1034543330 /nfs/dbraw/zinc/54/33/30/1034543330.db2.gz SQWBCVKAGYNZDJ-NEPJUHHUSA-N 0 3 307.825 3.537 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c([O-])c1 ZINC000185840238 1034579839 /nfs/dbraw/zinc/57/98/39/1034579839.db2.gz SHGSMHZEXFNHBK-WWGRRREGSA-N 0 3 305.443 3.925 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c([O-])c1 ZINC000185840185 1034580864 /nfs/dbraw/zinc/58/08/64/1034580864.db2.gz SHGSMHZEXFNHBK-ZENOOKHLSA-N 0 3 305.443 3.925 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000186196606 1034607640 /nfs/dbraw/zinc/60/76/40/1034607640.db2.gz RCSAZIDYVXNQMW-PIGZYNQJSA-N 0 3 323.795 3.877 20 10 DHCDHN CCc1cnccc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000773429753 1034689565 /nfs/dbraw/zinc/68/95/65/1034689565.db2.gz VVEVMDYMAMWFPW-ZDUSSCGKSA-N 0 3 301.409 3.700 20 10 DHCDHN CN(C)c1ccc(/C=C/CN[C@H]2CCCc3cccnc32)cc1 ZINC001179706445 1035493349 /nfs/dbraw/zinc/49/33/49/1035493349.db2.gz PCZUKBCORRAYKG-OQBYNLHGSA-N 0 3 307.441 3.828 20 10 DHCDHN Cc1c2ccccc2n(C)c1CN[C@H](c1cnn(C)c1)C(C)C ZINC001179712748 1035494666 /nfs/dbraw/zinc/49/46/66/1035494666.db2.gz JMEKVFUUXKJDJK-IBGZPJMESA-N 0 3 310.445 3.707 20 10 DHCDHN CCN(C)c1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000773839069 1035599252 /nfs/dbraw/zinc/59/92/52/1035599252.db2.gz LXZGHGNGKSXHTO-OAHLLOKOSA-N 0 3 300.450 3.771 20 10 DHCDHN CN(C)c1ccc(/C=C\CN2CCN(C)c3ccccc3C2)cc1 ZINC001180213039 1035624323 /nfs/dbraw/zinc/62/43/23/1035624323.db2.gz NNHFNDNBHSZOHV-SREVYHEPSA-N 0 3 321.468 3.718 20 10 DHCDHN Cc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1C)CCO2 ZINC001181674267 1035963578 /nfs/dbraw/zinc/96/35/78/1035963578.db2.gz OWACEOSYDVQSBO-UHFFFAOYSA-N 0 3 310.441 3.764 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1[O-] ZINC000775666350 1036298962 /nfs/dbraw/zinc/29/89/62/1036298962.db2.gz WFCFYYJXVVQKSN-UHFFFAOYSA-N 0 3 317.816 3.660 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCc3ccc(O)cc3CC2)c1[O-] ZINC000775666350 1036298982 /nfs/dbraw/zinc/29/89/82/1036298982.db2.gz WFCFYYJXVVQKSN-UHFFFAOYSA-N 0 3 317.816 3.660 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000775726669 1036576957 /nfs/dbraw/zinc/57/69/57/1036576957.db2.gz WBGVHWHMTCOMSQ-CQSZACIVSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000775726669 1036576960 /nfs/dbraw/zinc/57/69/60/1036576960.db2.gz WBGVHWHMTCOMSQ-CQSZACIVSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001197003491 1036667812 /nfs/dbraw/zinc/66/78/12/1036667812.db2.gz IMYNVYMQWHRPCT-GFCCVEGCSA-N 0 3 318.804 3.643 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CCc2ccccc2)c1[O-] ZINC000775793229 1036893114 /nfs/dbraw/zinc/89/31/14/1036893114.db2.gz OCTHMEDTYXDCEX-UHFFFAOYSA-N 0 3 320.230 3.795 20 10 DHCDHN CCOCc1cc(CNCc2cccc(F)c2)ccc1OC ZINC001199059979 1037191007 /nfs/dbraw/zinc/19/10/07/1037191007.db2.gz LIWYHIVTKOOMIY-UHFFFAOYSA-N 0 3 303.377 3.661 20 10 DHCDHN CCOc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c([O-])c1 ZINC000776015048 1037309291 /nfs/dbraw/zinc/30/92/91/1037309291.db2.gz TTWVSLASMZFGPY-UHFFFAOYSA-N 0 3 309.409 3.838 20 10 DHCDHN CCOc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c([O-])c1 ZINC000776015048 1037309303 /nfs/dbraw/zinc/30/93/03/1037309303.db2.gz TTWVSLASMZFGPY-UHFFFAOYSA-N 0 3 309.409 3.838 20 10 DHCDHN C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000776044007 1037400601 /nfs/dbraw/zinc/40/06/01/1037400601.db2.gz YWZUNPQSOOMCOG-ZDUSSCGKSA-N 0 3 310.869 3.646 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@@H](OCC)c2ccccc2)c([O-])c1 ZINC000775027861 1037431030 /nfs/dbraw/zinc/43/10/30/1037431030.db2.gz LMWQPPPAVVDSGJ-LJQANCHMSA-N 0 3 315.413 3.658 20 10 DHCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])Oc1ccc(Cl)cc1 ZINC000763390740 1037813517 /nfs/dbraw/zinc/81/35/17/1037813517.db2.gz BYDPJAWCFLNGRM-NSHDSACASA-N 0 3 309.768 3.742 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000776231961 1037985752 /nfs/dbraw/zinc/98/57/52/1037985752.db2.gz RNPZMPABDWSXDZ-INIZCTEOSA-N 0 3 321.852 3.965 20 10 DHCDHN CCCCn1cc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c(C)n1 ZINC000776256452 1038110587 /nfs/dbraw/zinc/11/05/87/1038110587.db2.gz OQSQKAHBZHVOEP-UHFFFAOYSA-N 0 3 321.852 3.949 20 10 DHCDHN CC[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000775488325 1038562184 /nfs/dbraw/zinc/56/21/84/1038562184.db2.gz REXALGBPOLGNKB-FQEVSTJZSA-N 0 3 324.468 3.881 20 10 DHCDHN CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1ccccc1[O-] ZINC000775490219 1038565220 /nfs/dbraw/zinc/56/52/20/1038565220.db2.gz AIQQNWZTWLRDPX-INIZCTEOSA-N 0 3 315.413 3.693 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)c1ccccc1[O-] ZINC000775496793 1038579767 /nfs/dbraw/zinc/57/97/67/1038579767.db2.gz LTRVJKFENWLLGP-CRAIPNDOSA-N 0 3 310.441 3.884 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccccc1[O-] ZINC000775522462 1038633508 /nfs/dbraw/zinc/63/35/08/1038633508.db2.gz QFSAEGWDCBMGQA-GOEBONIOSA-N 0 3 321.486 3.878 20 10 DHCDHN CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)OC ZINC000760884386 1038962677 /nfs/dbraw/zinc/96/26/77/1038962677.db2.gz QRXHELZFDIOJQH-DGCLKSJQSA-N 0 3 323.408 3.649 20 10 DHCDHN CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])NC(=O)OC(C)(C)C ZINC000227713126 1040367264 /nfs/dbraw/zinc/36/72/64/1040367264.db2.gz BVXKRQHVKPKFAD-KBPBESRZSA-N 0 3 322.449 3.655 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(F)ccc1[O-] ZINC000094616955 193385427 /nfs/dbraw/zinc/38/54/27/193385427.db2.gz MVVGIKVVELQZRU-SMDDNHRTSA-N 0 3 308.422 3.546 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccc(Cl)c1 ZINC000042879423 183315875 /nfs/dbraw/zinc/31/58/75/183315875.db2.gz RGXUFMZSOPGZKK-SNVBAGLBSA-N 0 3 305.761 3.625 20 10 DHCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000042879423 183315878 /nfs/dbraw/zinc/31/58/78/183315878.db2.gz RGXUFMZSOPGZKK-SNVBAGLBSA-N 0 3 305.761 3.625 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c([O-])c1 ZINC000105486491 194105959 /nfs/dbraw/zinc/10/59/59/194105959.db2.gz GFKCSCRCELNKMB-QGZVFWFLSA-N 0 3 313.397 3.664 20 10 DHCDHN COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1[O-])CC3 ZINC000273068402 130087019 /nfs/dbraw/zinc/08/70/19/130087019.db2.gz MTVMWRNZCHPQTO-CQSZACIVSA-N 0 3 322.408 3.529 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273491833 130128518 /nfs/dbraw/zinc/12/85/18/130128518.db2.gz NKXPKYACSRHRPX-HKUYNNGSSA-N 0 3 315.388 3.883 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273491833 130128519 /nfs/dbraw/zinc/12/85/19/130128519.db2.gz NKXPKYACSRHRPX-HKUYNNGSSA-N 0 3 315.388 3.883 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc2ccccc2c1[O-] ZINC000273515507 130130773 /nfs/dbraw/zinc/13/07/73/130130773.db2.gz SNAOSQWFAQVIJL-PXAZEXFGSA-N 0 3 307.397 3.997 20 10 DHCDHN Cc1cccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273517083 130131014 /nfs/dbraw/zinc/13/10/14/130131014.db2.gz RZIHQJKAVYOKJR-ROUUACIJSA-N 0 3 315.388 3.850 20 10 DHCDHN Cc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c(O)c1C ZINC000273527020 130132344 /nfs/dbraw/zinc/13/23/44/130132344.db2.gz VMXMTMKTHLTGMW-CHWSQXEVSA-N 0 3 302.422 3.662 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c([O-])c1C ZINC000273565268 130136395 /nfs/dbraw/zinc/13/63/95/130136395.db2.gz JGCZEQFMLCOQLV-SUMWQHHRSA-N 0 3 305.443 3.629 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273563041 130136427 /nfs/dbraw/zinc/13/64/27/130136427.db2.gz ISEUGNVRSCYXPA-IUODEOHRSA-N 0 3 301.434 3.501 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)c1ccc(F)cc1[O-] ZINC000285478377 131171963 /nfs/dbraw/zinc/17/19/63/131171963.db2.gz BGQIWFBIMRTIFL-GOSISDBHSA-N 0 3 316.420 3.834 20 10 DHCDHN C[C@H](NCC1=CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000286954725 131257276 /nfs/dbraw/zinc/25/72/76/131257276.db2.gz HORFEYYKHAGJOP-INIZCTEOSA-N 0 3 300.446 3.674 20 10 DHCDHN COc1ccc(O)c(CN[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000121430045 132155694 /nfs/dbraw/zinc/15/56/94/132155694.db2.gz JTMQLBTUHLVZSC-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000121430045 132155696 /nfs/dbraw/zinc/15/56/96/132155696.db2.gz JTMQLBTUHLVZSC-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN CC(C)(O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294299688 335120555 /nfs/dbraw/zinc/12/05/55/335120555.db2.gz NFHLQKSQMRMHTF-SFHVURJKSA-N 0 3 313.441 3.817 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185398165 333208136 /nfs/dbraw/zinc/20/81/36/333208136.db2.gz ZDWFCVXHRVSQOT-GFCCVEGCSA-N 0 3 304.365 3.566 20 10 DHCDHN COCc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1F ZINC000185495958 333209361 /nfs/dbraw/zinc/20/93/61/333209361.db2.gz FCHSZCTYLABHFT-NSHDSACASA-N 0 3 307.340 3.668 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)C(F)F ZINC000295048383 335130239 /nfs/dbraw/zinc/13/02/39/335130239.db2.gz NHORGQBVLWRPBT-DOTOQJQBSA-N 0 3 321.367 3.553 20 10 DHCDHN CC(C)(CO)[C@H](NCc1ccc2c(c1)CCO2)c1cccs1 ZINC000295883847 335138165 /nfs/dbraw/zinc/13/81/65/335138165.db2.gz BLZCBMDVZYZQNH-QGZVFWFLSA-N 0 3 317.454 3.532 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000192928403 336284469 /nfs/dbraw/zinc/28/44/69/336284469.db2.gz ASOFNPHQQBQYEB-OAHLLOKOSA-N 0 3 324.424 3.678 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000368483847 336845820 /nfs/dbraw/zinc/84/58/20/336845820.db2.gz VEJXRUOABFLJHG-PSVSLLHZSA-N 0 3 317.360 3.713 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000368797658 336853012 /nfs/dbraw/zinc/85/30/12/336853012.db2.gz OCQXXIPMNCHAGU-CQSZACIVSA-N 0 3 319.445 3.600 20 10 DHCDHN CCOc1cccc(CN[C@@H]2CCOc3c(F)cccc32)c1O ZINC000368863625 336854145 /nfs/dbraw/zinc/85/41/45/336854145.db2.gz TVROIDHCIMPKOA-OAHLLOKOSA-N 0 3 317.360 3.543 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000371864525 336914844 /nfs/dbraw/zinc/91/48/44/336914844.db2.gz LTIFHBQPWQEWFK-CQSZACIVSA-N 0 3 319.445 3.791 20 10 DHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(OCC3CC3)CC2)c1[O-] ZINC000373226536 336953846 /nfs/dbraw/zinc/95/38/46/336953846.db2.gz CPSJIRFCCACEMB-UHFFFAOYSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1C ZINC000374495186 336990583 /nfs/dbraw/zinc/99/05/83/336990583.db2.gz HOQOXIFDKRGILB-FXAWDEMLSA-N 0 3 311.425 3.876 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000375255467 337006683 /nfs/dbraw/zinc/00/66/83/337006683.db2.gz GNAJJCICETUFCD-RDJZCZTQSA-N 0 3 313.445 3.532 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000375255467 337006684 /nfs/dbraw/zinc/00/66/84/337006684.db2.gz GNAJJCICETUFCD-RDJZCZTQSA-N 0 3 313.445 3.532 20 10 DHCDHN CN(C)c1ccc(CN2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375338894 337008389 /nfs/dbraw/zinc/00/83/89/337008389.db2.gz UGPFCRLNOOHHOB-UHFFFAOYSA-N 0 3 313.420 3.608 20 10 DHCDHN COc1ccc(O)c([C@H](C)N(C)[C@H]2CCCc3cccnc32)c1 ZINC000377690677 337058536 /nfs/dbraw/zinc/05/85/36/337058536.db2.gz DMOVQCHGKMYQQO-GUYCJALGSA-N 0 3 312.413 3.866 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377835782 337062015 /nfs/dbraw/zinc/06/20/15/337062015.db2.gz WLVGGUYVJYCQJA-ARFHVFGLSA-N 0 3 319.445 3.600 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377835782 337062016 /nfs/dbraw/zinc/06/20/16/337062016.db2.gz WLVGGUYVJYCQJA-ARFHVFGLSA-N 0 3 319.445 3.600 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000378490440 337074116 /nfs/dbraw/zinc/07/41/16/337074116.db2.gz CSUVRWZMBAMJRO-UHFFFAOYSA-N 0 3 308.356 3.883 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000378624643 337076979 /nfs/dbraw/zinc/07/69/79/337076979.db2.gz NVAYZPFANFXEBF-TZMCWYRMSA-N 0 3 318.367 3.600 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccc1[O-] ZINC000185209289 337203311 /nfs/dbraw/zinc/20/33/11/337203311.db2.gz LDCVNQUUGIKPQR-KRWDZBQOSA-N 0 3 307.397 3.819 20 10 DHCDHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268960252 518178322 /nfs/dbraw/zinc/17/83/22/518178322.db2.gz FNLZTRDQGFLKHP-OXQOHEQNSA-N 0 3 312.457 3.917 20 10 DHCDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N(C)C)cc1)CCC2 ZINC000160542876 522475563 /nfs/dbraw/zinc/47/55/63/522475563.db2.gz ZHHMIDSKXHLIJQ-HNNXBMFYSA-N 0 3 315.486 3.939 20 10 DHCDHN COC(C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000162153332 522529918 /nfs/dbraw/zinc/52/99/18/522529918.db2.gz RAFDCXUSYSEONE-OAHLLOKOSA-N 0 3 315.413 3.574 20 10 DHCDHN COC(C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000162153332 522529922 /nfs/dbraw/zinc/52/99/22/522529922.db2.gz RAFDCXUSYSEONE-OAHLLOKOSA-N 0 3 315.413 3.574 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1[O-] ZINC000156230107 522561971 /nfs/dbraw/zinc/56/19/71/522561971.db2.gz CQXOPCLHXWTYIW-SFHVURJKSA-N 0 3 302.462 3.840 20 10 DHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1OC ZINC000159623517 522774330 /nfs/dbraw/zinc/77/43/30/522774330.db2.gz FRYASCDUIMGNIY-INIZCTEOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccccc2)cc1OC ZINC000159623517 522774335 /nfs/dbraw/zinc/77/43/35/522774335.db2.gz FRYASCDUIMGNIY-INIZCTEOSA-N 0 3 313.397 3.747 20 10 DHCDHN CCc1oc2ccccc2c1CNCc1cccc(OC)c1O ZINC000265079667 523008643 /nfs/dbraw/zinc/00/86/43/523008643.db2.gz HYSZRDXIKFAHAO-UHFFFAOYSA-N 0 3 311.381 3.999 20 10 DHCDHN CN1CCCc2cc(CNCc3cccc4[nH]ccc43)ccc21 ZINC000237188741 523863977 /nfs/dbraw/zinc/86/39/77/523863977.db2.gz IEIWQKPLOQRTBB-UHFFFAOYSA-N 0 3 305.425 3.840 20 10 DHCDHN C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000151038966 525444889 /nfs/dbraw/zinc/44/48/89/525444889.db2.gz KOFVMMLPNVHPJI-INIZCTEOSA-N 0 3 324.472 3.599 20 10 DHCDHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000157574037 525516166 /nfs/dbraw/zinc/51/61/66/525516166.db2.gz PLAYIACFMNWRGF-MRXNPFEDSA-N 0 3 320.440 3.789 20 10 DHCDHN C[C@H](N[C@@H]1c2cccc(F)c2O[C@@H]1C)c1cc(F)ccc1O ZINC000368484740 525590534 /nfs/dbraw/zinc/59/05/34/525590534.db2.gz ZEQKYLJKMPDMHV-IEVXNVSRSA-N 0 3 305.324 3.843 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c([O-])c1 ZINC000365154448 525939735 /nfs/dbraw/zinc/93/97/35/525939735.db2.gz GPCFVITWYPCATD-UVFQYZLESA-N 0 3 311.425 3.647 20 10 DHCDHN COc1cccc(CNCc2ccc(OCC(C)C)cc2)c1O ZINC000237221738 526025757 /nfs/dbraw/zinc/02/57/57/526025757.db2.gz IPXZHPPBEPBXME-UHFFFAOYSA-N 0 3 315.413 3.725 20 10 DHCDHN COc1cccc(C[NH2+]Cc2ccc(OCC(C)C)cc2)c1[O-] ZINC000237221738 526025768 /nfs/dbraw/zinc/02/57/68/526025768.db2.gz IPXZHPPBEPBXME-UHFFFAOYSA-N 0 3 315.413 3.725 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180257738 526348257 /nfs/dbraw/zinc/34/82/57/526348257.db2.gz SAVNRMAIKCAMNX-GDBMZVCRSA-N 0 3 321.417 3.681 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180257738 526348261 /nfs/dbraw/zinc/34/82/61/526348261.db2.gz SAVNRMAIKCAMNX-GDBMZVCRSA-N 0 3 321.417 3.681 20 10 DHCDHN Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1cc(C)ccc1[O-] ZINC000366370148 527105412 /nfs/dbraw/zinc/10/54/12/527105412.db2.gz JEUWLADGIYKXEN-ZDUSSCGKSA-N 0 3 302.443 3.675 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000274916813 535910933 /nfs/dbraw/zinc/91/09/33/535910933.db2.gz OLDSHYQZOUOQNA-HOCLYGCPSA-N 0 3 323.795 3.959 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c(OC)c1 ZINC000283925303 536896644 /nfs/dbraw/zinc/89/66/44/536896644.db2.gz DVKOEFGTSBWZCY-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(N(C)C)cc1 ZINC000289309872 537022415 /nfs/dbraw/zinc/02/24/15/537022415.db2.gz SXKCXZGQHPQJAC-QGZVFWFLSA-N 0 3 314.404 3.677 20 10 DHCDHN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000295870329 1013192619 /nfs/dbraw/zinc/19/26/19/1013192619.db2.gz GDYNSSQCOMASIB-KSSFIOAISA-N 0 3 300.450 3.771 20 10 DHCDHN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000155441934 1013706620 /nfs/dbraw/zinc/70/66/20/1013706620.db2.gz GJCHKWBDCHBSRG-AWEZNQCLSA-N 0 3 311.429 3.562 20 10 DHCDHN CCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCC1 ZINC000177712097 1014032055 /nfs/dbraw/zinc/03/20/55/1014032055.db2.gz RHORVQUUVRYGOO-UHFFFAOYSA-N 0 3 314.223 3.586 20 10 DHCDHN COc1ccc(CNCc2ccc(N(C)C)cc2)cc1Cl ZINC000086583874 1014109811 /nfs/dbraw/zinc/10/98/11/1014109811.db2.gz XCIQALQCHZJYII-UHFFFAOYSA-N 0 3 304.821 3.704 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000815645638 1028591341 /nfs/dbraw/zinc/59/13/41/1028591341.db2.gz LTUNABUVFOAQKW-VHSXEESVSA-N 0 3 304.203 3.862 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CC(F)(F)C2)c1[O-] ZINC000760036893 1014282272 /nfs/dbraw/zinc/28/22/72/1014282272.db2.gz GHWDRVKZOTXTEX-QMMMGPOBSA-N 0 3 320.177 3.911 20 10 DHCDHN C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccccc1[O-] ZINC000783490726 1014455938 /nfs/dbraw/zinc/45/59/38/1014455938.db2.gz MIDQZCHBFKRPLW-LBPRGKRZSA-N 0 3 307.340 3.887 20 10 DHCDHN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276141519 1014715531 /nfs/dbraw/zinc/71/55/31/1014715531.db2.gz NMAAIOGYIREYSN-AXFHLTTASA-N 0 3 316.239 3.537 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1[O-] ZINC000895580963 1015216097 /nfs/dbraw/zinc/21/60/97/1015216097.db2.gz JOODQHMSGQCWAM-SNVBAGLBSA-N 0 3 324.833 3.500 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1[O-] ZINC000895580963 1015216105 /nfs/dbraw/zinc/21/61/05/1015216105.db2.gz JOODQHMSGQCWAM-SNVBAGLBSA-N 0 3 324.833 3.500 20 10 DHCDHN COc1ccc(O)c(CNC(C)(C)c2ccc(F)cc2F)c1 ZINC000895854804 1015333737 /nfs/dbraw/zinc/33/37/37/1015333737.db2.gz OVPJZVZOXKMZJX-UHFFFAOYSA-N 0 3 307.340 3.704 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000896887233 1015802774 /nfs/dbraw/zinc/80/27/74/1015802774.db2.gz JLNBXTJERRMXTE-NVXWUHKLSA-N 0 3 303.352 3.839 20 10 DHCDHN Cc1ccc(O)c(CN2CCN([C@H](C)c3ccsc3)CC2)c1 ZINC000184971370 1016468685 /nfs/dbraw/zinc/46/86/85/1016468685.db2.gz MUANDYIBPRZRLU-OAHLLOKOSA-N 0 3 316.470 3.641 20 10 DHCDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(N(C)C)cc1 ZINC000281360241 1016487189 /nfs/dbraw/zinc/48/71/89/1016487189.db2.gz WAMFKXCZQUFGTE-GOSISDBHSA-N 0 3 314.404 3.677 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(F)ccc1[O-] ZINC000185032904 1016503438 /nfs/dbraw/zinc/50/34/38/1016503438.db2.gz PNBRROJGWZDTKW-ZDUSSCGKSA-N 0 3 311.360 3.568 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1[O-] ZINC000281662832 1016653058 /nfs/dbraw/zinc/65/30/58/1016653058.db2.gz QHNFNUZIBCNPSX-OAHLLOKOSA-N 0 3 317.458 3.558 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000185457365 1016934871 /nfs/dbraw/zinc/93/48/71/1016934871.db2.gz PUPOSXCHYZPWTE-GDBMZVCRSA-N 0 3 314.404 3.851 20 10 DHCDHN CCc1nn(C)c(CC)c1CNCc1c(C)c2ccccc2n1C ZINC000475189034 1017042690 /nfs/dbraw/zinc/04/26/90/1017042690.db2.gz CUFLREUDDWGSJZ-UHFFFAOYSA-N 0 3 324.472 3.635 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](CO)c2sccc2C)cc1 ZINC000773043532 1032537091 /nfs/dbraw/zinc/53/70/91/1032537091.db2.gz CPXUYKJDWYZLQP-RHSMWYFYSA-N 0 3 318.486 3.897 20 10 DHCDHN COc1cc(Cl)cc(CNC(C)(C)c2c(C)noc2C)c1O ZINC000289864516 1012866135 /nfs/dbraw/zinc/86/61/35/1012866135.db2.gz QUQOPSVSVSMWMK-UHFFFAOYSA-N 0 3 324.808 3.684 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1OC(F)F ZINC000115629577 1032684419 /nfs/dbraw/zinc/68/44/19/1032684419.db2.gz JHGRFLKABSWGOE-UHFFFAOYSA-N 0 3 320.383 3.952 20 10 DHCDHN Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756314 1033434338 /nfs/dbraw/zinc/43/43/38/1033434338.db2.gz GQSRVJYCIPUTEU-GFCCVEGCSA-N 0 3 301.434 3.811 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000701920900 1018122916 /nfs/dbraw/zinc/12/29/16/1018122916.db2.gz TYMCBAQYNSUCPO-DZGCQCFKSA-N 0 3 322.449 3.688 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544168 1032758758 /nfs/dbraw/zinc/75/87/58/1032758758.db2.gz RLYGUTZPKYMWJL-ZDUSSCGKSA-N 0 3 321.342 3.799 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544168 1032758768 /nfs/dbraw/zinc/75/87/68/1032758768.db2.gz RLYGUTZPKYMWJL-ZDUSSCGKSA-N 0 3 321.342 3.799 20 10 DHCDHN COc1ccc(O)c(CNCc2csc(C(F)(F)F)c2)c1 ZINC000858137366 1032776088 /nfs/dbraw/zinc/77/60/88/1032776088.db2.gz NVKRREMRULVQOR-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921553697 1019054634 /nfs/dbraw/zinc/05/46/34/1019054634.db2.gz LOGVFLYZHLQFHK-UHFFFAOYSA-N 0 3 312.461 3.744 20 10 DHCDHN CC(C)(O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922010467 1019299466 /nfs/dbraw/zinc/29/94/66/1019299466.db2.gz NSUFKMCLERPMNA-UHFFFAOYSA-N 0 3 311.425 3.529 20 10 DHCDHN CC(C)(C)c1cccc(CN2CC3(C2)C[C@@H](F)CS3)c1O ZINC001143112082 1019404092 /nfs/dbraw/zinc/40/40/92/1019404092.db2.gz JKBKLIVAVOZGQI-CYBMUJFWSA-N 0 3 309.450 3.719 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c([O-])c1 ZINC000186183872 1019613653 /nfs/dbraw/zinc/61/36/53/1019613653.db2.gz YAGVSTOOXFUVAJ-CABCVRRESA-N 0 3 322.412 3.693 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000186189324 1019649995 /nfs/dbraw/zinc/64/99/95/1019649995.db2.gz IQPLCCYJPVTYTK-BOFPYLFWSA-N 0 3 314.404 3.627 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000922542902 1020122874 /nfs/dbraw/zinc/12/28/74/1020122874.db2.gz GDXGMYHQYVTJTJ-CYBMUJFWSA-N 0 3 300.358 3.763 20 10 DHCDHN COc1ccc(N2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000731905407 1020170469 /nfs/dbraw/zinc/17/04/69/1020170469.db2.gz FIFXEBNYUAADFT-UHFFFAOYSA-N 0 3 319.408 3.570 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccccc2Cl)c(O)c1OC ZINC000892430183 1020281590 /nfs/dbraw/zinc/28/15/90/1020281590.db2.gz ADQHFQNJQUCGAK-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000310081245 1020329406 /nfs/dbraw/zinc/32/94/06/1020329406.db2.gz JLBRBZKNMDZVKV-DYESRHJHSA-N 0 3 324.468 3.955 20 10 DHCDHN Cc1[nH]c2ccccc2c1C1=CCN(c2ccnc(CO)c2)CC1 ZINC000858455849 1032902896 /nfs/dbraw/zinc/90/28/96/1032902896.db2.gz XLSPEDAXPDDMKB-UHFFFAOYSA-N 0 3 319.408 3.657 20 10 DHCDHN COC1CCC([N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2[O-])CC1 ZINC000734476015 1020615976 /nfs/dbraw/zinc/61/59/76/1020615976.db2.gz BBXXKLHKUICAFB-UHFFFAOYSA-N 0 3 321.461 3.785 20 10 DHCDHN COC1CCC([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2[O-])CC1 ZINC000734476015 1020615983 /nfs/dbraw/zinc/61/59/83/1020615983.db2.gz BBXXKLHKUICAFB-UHFFFAOYSA-N 0 3 321.461 3.785 20 10 DHCDHN [O-]c1cc2c(cc1C[NH2+]C(C1CCCC1)C1CCCC1)OCO2 ZINC000735508646 1020741695 /nfs/dbraw/zinc/74/16/95/1020741695.db2.gz JFQMLYNIADOMNS-UHFFFAOYSA-N 0 3 317.429 3.960 20 10 DHCDHN O=C1C=CC(=NNc2ccc(O[C@@H]3CCNC[C@H]3F)cc2)C=C1 ZINC001218068371 1020908798 /nfs/dbraw/zinc/90/87/98/1020908798.db2.gz DXFIOTPPKPPYCN-IAGOWNOFSA-N 0 3 315.348 3.886 20 10 DHCDHN Cc1ccc([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])o1 ZINC000741259724 1020996300 /nfs/dbraw/zinc/99/63/00/1020996300.db2.gz AJTHSNCUJKXVRP-LJQANCHMSA-N 0 3 323.392 3.784 20 10 DHCDHN Cc1cc(O)c(CN2CCC[C@@H](OCC(F)(F)F)C2)cc1C ZINC000742367057 1021107580 /nfs/dbraw/zinc/10/75/80/1021107580.db2.gz HOUYYOAKYXTNJL-CQSZACIVSA-N 0 3 317.351 3.552 20 10 DHCDHN Cc1cc(O)c(CN2CCO[C@H]3CCCC[C@H]32)cc1C(C)C ZINC000917473488 1021270458 /nfs/dbraw/zinc/27/04/58/1021270458.db2.gz PWYUFVYPDXKFAE-MJGOQNOKSA-N 0 3 303.446 3.967 20 10 DHCDHN CCCC[N@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000801599498 1021292566 /nfs/dbraw/zinc/29/25/66/1021292566.db2.gz QDIMNYIPNXZIAX-UHFFFAOYSA-N 0 3 307.434 3.726 20 10 DHCDHN CCCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000801599498 1021292576 /nfs/dbraw/zinc/29/25/76/1021292576.db2.gz QDIMNYIPNXZIAX-UHFFFAOYSA-N 0 3 307.434 3.726 20 10 DHCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])c(O)c(C(C)(C)C)c1 ZINC000850113599 1021420653 /nfs/dbraw/zinc/42/06/53/1021420653.db2.gz NZTPPKPNCTWORO-UHFFFAOYSA-N 0 3 315.413 3.694 20 10 DHCDHN Cc1ccc2cc(CNCc3ccc(N(C)C)c(F)c3)[nH]c2c1 ZINC000850099178 1021421010 /nfs/dbraw/zinc/42/10/10/1021421010.db2.gz GLIFDVXJWNEHHY-UHFFFAOYSA-N 0 3 311.404 3.971 20 10 DHCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000850344379 1021481115 /nfs/dbraw/zinc/48/11/15/1021481115.db2.gz HCGFYCFNVRUOQA-AWEZNQCLSA-N 0 3 316.832 3.662 20 10 DHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486771 1021561145 /nfs/dbraw/zinc/56/11/45/1021561145.db2.gz JYRMKXYEHHGCIN-HOCLYGCPSA-N 0 3 314.429 3.835 20 10 DHCDHN C[C@H](NCc1cccnc1N1CCCC1)c1ccc(N(C)C)cc1 ZINC000850499920 1021563801 /nfs/dbraw/zinc/56/38/01/1021563801.db2.gz ALNRVIDRIQSOCB-INIZCTEOSA-N 0 3 324.472 3.599 20 10 DHCDHN CC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529813 1021581999 /nfs/dbraw/zinc/58/19/99/1021581999.db2.gz UBKJDGIWLGWYQO-XUVXKRRUSA-N 0 3 310.441 3.972 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccccc1[O-] ZINC000850536838 1021590758 /nfs/dbraw/zinc/59/07/58/1021590758.db2.gz KHWJOQQWZRXLBN-GDBMZVCRSA-N 0 3 301.361 3.576 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000850537872 1021592250 /nfs/dbraw/zinc/59/22/50/1021592250.db2.gz ASYDIFTXLGSBTN-UKRRQHHQSA-N 0 3 306.425 3.589 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1[O-] ZINC000850541729 1021594582 /nfs/dbraw/zinc/59/45/82/1021594582.db2.gz ZJPRMBJYJAXOFI-BPQIPLTHSA-N 0 3 313.445 3.578 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1[O-] ZINC000850541731 1021595970 /nfs/dbraw/zinc/59/59/70/1021595970.db2.gz ZJPRMBJYJAXOFI-NJAFHUGGSA-N 0 3 313.445 3.578 20 10 DHCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000309653236 1021596986 /nfs/dbraw/zinc/59/69/86/1021596986.db2.gz ARRASAZXKXHNLJ-CABCVRRESA-N 0 3 316.420 3.702 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000850572784 1021614431 /nfs/dbraw/zinc/61/44/31/1021614431.db2.gz GMBYUSXZCHVELQ-BPAFIMBUSA-N 0 3 313.441 3.906 20 10 DHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccc(F)n1 ZINC000851731754 1021976530 /nfs/dbraw/zinc/97/65/30/1021976530.db2.gz BJOWYALVWUDSKS-UHFFFAOYSA-N 0 3 301.409 3.697 20 10 DHCDHN CO[C@H](CN(Cc1ccco1)Cc1ccccc1O)C1CCC1 ZINC000851840374 1022019097 /nfs/dbraw/zinc/01/90/97/1022019097.db2.gz DYKMNPJQBRXTLU-LJQANCHMSA-N 0 3 315.413 3.803 20 10 DHCDHN CO[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCC1 ZINC000851840374 1022019111 /nfs/dbraw/zinc/01/91/11/1022019111.db2.gz DYKMNPJQBRXTLU-LJQANCHMSA-N 0 3 315.413 3.803 20 10 DHCDHN CO[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CCC1 ZINC000851840374 1022019127 /nfs/dbraw/zinc/01/91/27/1022019127.db2.gz DYKMNPJQBRXTLU-LJQANCHMSA-N 0 3 315.413 3.803 20 10 DHCDHN C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183537316 1022175714 /nfs/dbraw/zinc/17/57/14/1022175714.db2.gz DBAHMAUQMYRGLX-CQSZACIVSA-N 0 3 307.434 3.945 20 10 DHCDHN Cc1ccc(O)c(CNCc2cc(Br)ccc2F)c1 ZINC000071408310 1022180527 /nfs/dbraw/zinc/18/05/27/1022180527.db2.gz OZQDFRDNCODBMQ-UHFFFAOYSA-N 0 3 324.193 3.892 20 10 DHCDHN C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587881 1022197401 /nfs/dbraw/zinc/19/74/01/1022197401.db2.gz IDXMZQYBETVGKC-VBHSOAQHSA-N 0 3 303.377 3.694 20 10 DHCDHN COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183633022 1022217711 /nfs/dbraw/zinc/21/77/11/1022217711.db2.gz VEEMCNKRFAMQFF-LSDHHAIUSA-N 0 3 315.413 3.767 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756401708 1022260800 /nfs/dbraw/zinc/26/08/00/1022260800.db2.gz QOUMGBRKGFAJQN-ONGXEEELSA-N 0 3 321.314 3.638 20 10 DHCDHN C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756462946 1022402772 /nfs/dbraw/zinc/40/27/72/1022402772.db2.gz ZLNKJLURNPZNLF-NEPJUHHUSA-N 0 3 307.340 3.789 20 10 DHCDHN C[C@H]([NH2+]CC1(N)CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000854222383 1022433737 /nfs/dbraw/zinc/43/37/37/1022433737.db2.gz FCVZMLWDENATFF-VIFPVBQESA-N 0 3 303.233 3.621 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(F)ccc1[O-] ZINC000185006319 1022448290 /nfs/dbraw/zinc/44/82/90/1022448290.db2.gz OAHFVOVSKNDVOG-CQSZACIVSA-N 0 3 314.404 3.982 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c([O-])c1 ZINC000185576340 1022502746 /nfs/dbraw/zinc/50/27/46/1022502746.db2.gz LEDFLZQZNJYCDH-KGLIPLIRSA-N 0 3 303.377 3.958 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1[O-] ZINC000272842036 1022517917 /nfs/dbraw/zinc/51/79/17/1022517917.db2.gz JVEKPVSEPHHLOL-UWVAXJGDSA-N 0 3 324.468 3.953 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c([O-])c1 ZINC000186183843 1022556834 /nfs/dbraw/zinc/55/68/34/1022556834.db2.gz YAGVSTOOXFUVAJ-GJZGRUSLSA-N 0 3 322.412 3.693 20 10 DHCDHN COCCC(C)(C)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000183935507 1022565840 /nfs/dbraw/zinc/56/58/40/1022565840.db2.gz XYJQFUXSYOTLHF-CQSZACIVSA-N 0 3 305.462 3.984 20 10 DHCDHN COc1ccc(OCCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000179883044 1022573572 /nfs/dbraw/zinc/57/35/72/1022573572.db2.gz GCIRFVGGKDRWMJ-CQSZACIVSA-N 0 3 301.386 3.521 20 10 DHCDHN CCc1nn(C)cc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000180183094 1022654501 /nfs/dbraw/zinc/65/45/01/1022654501.db2.gz AGZAIHNIAWRLRG-UHFFFAOYSA-N 0 3 313.445 3.633 20 10 DHCDHN CCc1nn(C)cc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000180183094 1022654509 /nfs/dbraw/zinc/65/45/09/1022654509.db2.gz AGZAIHNIAWRLRG-UHFFFAOYSA-N 0 3 313.445 3.633 20 10 DHCDHN COc1cccc(O)c1CN1CCSC[C@@H]1c1ccccc1 ZINC000768248989 1022934123 /nfs/dbraw/zinc/93/41/23/1022934123.db2.gz NBNDFLNTKVYVQI-MRXNPFEDSA-N 0 3 315.438 3.691 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@H]2CC2(F)F)c1[O-] ZINC000857060432 1022937958 /nfs/dbraw/zinc/93/79/58/1022937958.db2.gz RMJPALMZKKCHNP-JTQLQIEISA-N 0 3 320.177 3.598 20 10 DHCDHN C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1CO ZINC000857061285 1022940870 /nfs/dbraw/zinc/94/08/70/1022940870.db2.gz NNNZKCDVUUCCDL-KXBFYZLASA-N 0 3 311.425 3.510 20 10 DHCDHN C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1CO ZINC000857061285 1022940880 /nfs/dbraw/zinc/94/08/80/1022940880.db2.gz NNNZKCDVUUCCDL-KXBFYZLASA-N 0 3 311.425 3.510 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000768320415 1022946056 /nfs/dbraw/zinc/94/60/56/1022946056.db2.gz UNFZHXKXPXIGNG-QGZVFWFLSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000768320415 1022946064 /nfs/dbraw/zinc/94/60/64/1022946064.db2.gz UNFZHXKXPXIGNG-QGZVFWFLSA-N 0 3 311.425 3.998 20 10 DHCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@H](F)C2)c1 ZINC001236664106 1023033702 /nfs/dbraw/zinc/03/37/02/1023033702.db2.gz SILYQMJQFBRSAY-LBPRGKRZSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001236664106 1023033711 /nfs/dbraw/zinc/03/37/11/1023033711.db2.gz SILYQMJQFBRSAY-LBPRGKRZSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001236664106 1023033720 /nfs/dbraw/zinc/03/37/20/1023033720.db2.gz SILYQMJQFBRSAY-LBPRGKRZSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1ccc(O)c(CN2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000768919065 1023055921 /nfs/dbraw/zinc/05/59/21/1023055921.db2.gz PDGQMODEWOICJI-GOSISDBHSA-N 0 3 321.424 3.924 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c1[O-] ZINC000769319116 1023120538 /nfs/dbraw/zinc/12/05/38/1023120538.db2.gz PZKTVFASHJAVKY-SFHVURJKSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)c1[O-] ZINC000769319116 1023120542 /nfs/dbraw/zinc/12/05/42/1023120542.db2.gz PZKTVFASHJAVKY-SFHVURJKSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c1[O-] ZINC000769319115 1023120913 /nfs/dbraw/zinc/12/09/13/1023120913.db2.gz PZKTVFASHJAVKY-GOSISDBHSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c1[O-] ZINC000769319115 1023120918 /nfs/dbraw/zinc/12/09/18/1023120918.db2.gz PZKTVFASHJAVKY-GOSISDBHSA-N 0 3 311.425 3.916 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000769390348 1023140011 /nfs/dbraw/zinc/14/00/11/1023140011.db2.gz VJKVITPRKZHWIW-AWEZNQCLSA-N 0 3 315.413 3.560 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000769390348 1023140017 /nfs/dbraw/zinc/14/00/17/1023140017.db2.gz VJKVITPRKZHWIW-AWEZNQCLSA-N 0 3 315.413 3.560 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H](SCC)C2)c([O-])c1 ZINC000769403957 1023141143 /nfs/dbraw/zinc/14/11/43/1023141143.db2.gz LBJFMVIHNRFKTN-INIZCTEOSA-N 0 3 309.475 3.899 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCCC[C@H](SCC)C2)c([O-])c1 ZINC000769403957 1023141146 /nfs/dbraw/zinc/14/11/46/1023141146.db2.gz LBJFMVIHNRFKTN-INIZCTEOSA-N 0 3 309.475 3.899 20 10 DHCDHN COc1cccc(O)c1CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000769403922 1023141641 /nfs/dbraw/zinc/14/16/41/1023141641.db2.gz KBWWJGICMXVNCG-AWEZNQCLSA-N 0 3 318.442 3.675 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000769464788 1023159145 /nfs/dbraw/zinc/15/91/45/1023159145.db2.gz ANVMVIRFNUYCII-UKRRQHHQSA-N 0 3 315.388 3.918 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000769464788 1023159153 /nfs/dbraw/zinc/15/91/53/1023159153.db2.gz ANVMVIRFNUYCII-UKRRQHHQSA-N 0 3 315.388 3.918 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000770509576 1023316845 /nfs/dbraw/zinc/31/68/45/1023316845.db2.gz OZFZNILLJKFVKC-UHFFFAOYSA-N 0 3 311.425 3.943 20 10 DHCDHN C[C@@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000092969798 1023358560 /nfs/dbraw/zinc/35/85/60/1023358560.db2.gz GNRMOWFARCAIAO-OAHLLOKOSA-N 0 3 311.425 3.652 20 10 DHCDHN CSc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000772469026 1023558145 /nfs/dbraw/zinc/55/81/45/1023558145.db2.gz GDHAHPZMOKWEPE-ZDUSSCGKSA-N 0 3 301.459 3.720 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000876770204 1033141771 /nfs/dbraw/zinc/14/17/71/1033141771.db2.gz KAUUVSCGLDJAHR-GOSISDBHSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000876770204 1033141778 /nfs/dbraw/zinc/14/17/78/1033141778.db2.gz KAUUVSCGLDJAHR-GOSISDBHSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1ccc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876795598 1033144399 /nfs/dbraw/zinc/14/43/99/1033144399.db2.gz ROEFLMMHCZHDEU-RCDICMHDSA-N 0 3 317.454 3.631 20 10 DHCDHN Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cc(F)ccc1[O-])N(C)C ZINC000785989653 1023649168 /nfs/dbraw/zinc/64/91/68/1023649168.db2.gz WTTBIXSDUYDOLG-IFXJQAMLSA-N 0 3 316.420 3.621 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000788600392 1023911457 /nfs/dbraw/zinc/91/14/57/1023911457.db2.gz CKOVLRCEBYMJEH-WMZOPIPTSA-N 0 3 313.441 3.826 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c([O-])c1 ZINC000788815693 1023939813 /nfs/dbraw/zinc/93/98/13/1023939813.db2.gz PQWUOGJLHSJGEO-WBVHZDCISA-N 0 3 305.462 3.848 20 10 DHCDHN CCCOc1ccc(C[NH2+]Cc2c([O-])cccc2OC)c(C)c1 ZINC000788969136 1023955518 /nfs/dbraw/zinc/95/55/18/1023955518.db2.gz HJQPMZDTEVIKRF-UHFFFAOYSA-N 0 3 315.413 3.788 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000876885219 1033175439 /nfs/dbraw/zinc/17/54/39/1033175439.db2.gz NLKPETDHSMICQQ-INIZCTEOSA-N 0 3 316.470 3.689 20 10 DHCDHN Cc1cnc(CC[N@@H+](C)Cc2c([O-])ccc3ccccc32)s1 ZINC000165199231 1024087217 /nfs/dbraw/zinc/08/72/17/1024087217.db2.gz RHZRTPVZKXCEKJ-UHFFFAOYSA-N 0 3 312.438 3.985 20 10 DHCDHN Cc1cnc(CC[N@H+](C)Cc2c([O-])ccc3ccccc32)s1 ZINC000165199231 1024087235 /nfs/dbraw/zinc/08/72/35/1024087235.db2.gz RHZRTPVZKXCEKJ-UHFFFAOYSA-N 0 3 312.438 3.985 20 10 DHCDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789568473 1024118005 /nfs/dbraw/zinc/11/80/05/1024118005.db2.gz XAHHUWFNKWFIMH-HXUWFJFHSA-N 0 3 311.425 3.796 20 10 DHCDHN CC[C@]1(CO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000789568473 1024118009 /nfs/dbraw/zinc/11/80/09/1024118009.db2.gz XAHHUWFNKWFIMH-HXUWFJFHSA-N 0 3 311.425 3.796 20 10 DHCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1SC ZINC000109769770 1024696136 /nfs/dbraw/zinc/69/61/36/1024696136.db2.gz KJWVWTLWDZGBGK-UHFFFAOYSA-N 0 3 303.427 3.755 20 10 DHCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1SC ZINC000109769770 1024696141 /nfs/dbraw/zinc/69/61/41/1024696141.db2.gz KJWVWTLWDZGBGK-UHFFFAOYSA-N 0 3 303.427 3.755 20 10 DHCDHN COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000793231442 1024945540 /nfs/dbraw/zinc/94/55/40/1024945540.db2.gz DSOHGQQZIOXZTG-SFHVURJKSA-N 0 3 317.404 3.659 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCc3ccccc32)c([O-])c1 ZINC000320167178 1025015744 /nfs/dbraw/zinc/01/57/44/1025015744.db2.gz LZYBEBGVEBPYAQ-INIZCTEOSA-N 0 3 310.441 3.804 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2)c([O-])c1 ZINC000793387497 1025030026 /nfs/dbraw/zinc/03/00/26/1025030026.db2.gz FQNCXCKRFCYHMI-ZDUSSCGKSA-N 0 3 303.377 3.651 20 10 DHCDHN COc1ccc(O)c(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000793619083 1025132639 /nfs/dbraw/zinc/13/26/39/1025132639.db2.gz DLYMDKUISCIOTF-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000793745818 1025160489 /nfs/dbraw/zinc/16/04/89/1025160489.db2.gz TZRUDCMJCDJQBJ-KRWDZBQOSA-N 0 3 311.425 3.794 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000793745818 1025160500 /nfs/dbraw/zinc/16/05/00/1025160500.db2.gz TZRUDCMJCDJQBJ-KRWDZBQOSA-N 0 3 311.425 3.794 20 10 DHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCCC2 ZINC000236891540 1025448548 /nfs/dbraw/zinc/44/85/48/1025448548.db2.gz QIYKNGAEJWHXEZ-ZWKOTPCHSA-N 0 3 319.445 3.618 20 10 DHCDHN COc1cccc(CNC(C)(C)c2ccc(F)cc2F)c1O ZINC000886350467 1025599889 /nfs/dbraw/zinc/59/98/89/1025599889.db2.gz VQUMLKOYRKRSHM-UHFFFAOYSA-N 0 3 307.340 3.704 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000806180966 1025835063 /nfs/dbraw/zinc/83/50/63/1025835063.db2.gz UNHISIHBSRWCCA-HIFRSBDPSA-N 0 3 319.832 3.781 20 10 DHCDHN Cc1c(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cnn1C ZINC000090887915 1026090894 /nfs/dbraw/zinc/09/08/94/1026090894.db2.gz OGICQWSZSDWYKV-HNNXBMFYSA-N 0 3 312.461 3.570 20 10 DHCDHN CN(C)c1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000289958031 1026252498 /nfs/dbraw/zinc/25/24/98/1026252498.db2.gz WOKNZJVPSFCEBI-KRWDZBQOSA-N 0 3 318.486 3.664 20 10 DHCDHN C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000279970218 1026331975 /nfs/dbraw/zinc/33/19/75/1026331975.db2.gz CYYYLOWUZZAGEP-MRXNPFEDSA-N 0 3 310.441 3.959 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808691755 1026349737 /nfs/dbraw/zinc/34/97/37/1026349737.db2.gz NOMVWYGIKQZCIT-WCQYABFASA-N 0 3 321.852 3.846 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1[O-] ZINC000808675251 1026353767 /nfs/dbraw/zinc/35/37/67/1026353767.db2.gz ARHUERLQMUXPOR-GFCCVEGCSA-N 0 3 319.836 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CN2CCCCC2)c1[O-] ZINC000808675752 1026354703 /nfs/dbraw/zinc/35/47/03/1026354703.db2.gz RDVGSYNQEAWBBP-KGLIPLIRSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1[O-] ZINC000808715633 1026363469 /nfs/dbraw/zinc/36/34/69/1026363469.db2.gz WSCQGVMUQIIVAQ-HZUKXOBISA-N 0 3 309.837 3.962 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CSCCS2)c1[O-] ZINC000808702260 1026375958 /nfs/dbraw/zinc/37/59/58/1026375958.db2.gz URDAVAWXYLCULP-PWSUYJOCSA-N 0 3 317.907 3.853 20 10 DHCDHN CCCC[N@H+](Cc1cncc(OC)c1)Cc1ccccc1[O-] ZINC000808757307 1026379499 /nfs/dbraw/zinc/37/94/99/1026379499.db2.gz JAXIEVYAARFSKQ-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN CCCC[N@@H+](Cc1cncc(OC)c1)Cc1ccccc1[O-] ZINC000808757307 1026379513 /nfs/dbraw/zinc/37/95/13/1026379513.db2.gz JAXIEVYAARFSKQ-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(C)cc1[O-] ZINC000280054394 1026584480 /nfs/dbraw/zinc/58/44/80/1026584480.db2.gz JVOFBTLIXBPFHH-KRWDZBQOSA-N 0 3 301.434 3.645 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000280089885 1026586880 /nfs/dbraw/zinc/58/68/80/1026586880.db2.gz MHRIICNWWDHAIA-AEFFLSMTSA-N 0 3 303.377 3.614 20 10 DHCDHN COc1cc(Cl)cc(CN2CCC=C(c3ccco3)C2)c1O ZINC000809688567 1026593259 /nfs/dbraw/zinc/59/32/59/1026593259.db2.gz MGTWEOZSDVYLGJ-UHFFFAOYSA-N 0 3 319.788 3.937 20 10 DHCDHN CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809767535 1026606258 /nfs/dbraw/zinc/60/62/58/1026606258.db2.gz NLQVGMQQRKHZIK-IBGZPJMESA-N 0 3 313.441 3.898 20 10 DHCDHN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809767535 1026606265 /nfs/dbraw/zinc/60/62/65/1026606265.db2.gz NLQVGMQQRKHZIK-IBGZPJMESA-N 0 3 313.441 3.898 20 10 DHCDHN Cc1ccc(CN(CC[NH+](C)C)Cc2cc(Cl)ccc2[O-])o1 ZINC000809736081 1026609675 /nfs/dbraw/zinc/60/96/75/1026609675.db2.gz ZROJFXCCXKQELV-UHFFFAOYSA-N 0 3 322.836 3.511 20 10 DHCDHN Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809755765 1026617679 /nfs/dbraw/zinc/61/76/79/1026617679.db2.gz BVZFXCURXCSMAP-MRXNPFEDSA-N 0 3 317.408 3.989 20 10 DHCDHN Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809755765 1026617684 /nfs/dbraw/zinc/61/76/84/1026617684.db2.gz BVZFXCURXCSMAP-MRXNPFEDSA-N 0 3 317.408 3.989 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758143 1026617901 /nfs/dbraw/zinc/61/79/01/1026617901.db2.gz DTTADWBHXQZOKO-LSDHHAIUSA-N 0 3 323.864 3.993 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758143 1026617904 /nfs/dbraw/zinc/61/79/04/1026617904.db2.gz DTTADWBHXQZOKO-LSDHHAIUSA-N 0 3 323.864 3.993 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1[O-] ZINC000809788471 1026627316 /nfs/dbraw/zinc/62/73/16/1026627316.db2.gz RNXPUTYVLZVKBL-MEDUHNTESA-N 0 3 303.789 3.966 20 10 DHCDHN Cc1cc(Cl)cc(CN[C@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788471 1026627320 /nfs/dbraw/zinc/62/73/20/1026627320.db2.gz RNXPUTYVLZVKBL-MEDUHNTESA-N 0 3 303.789 3.966 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C)cc1[O-] ZINC000280276106 1026631026 /nfs/dbraw/zinc/63/10/26/1026631026.db2.gz YDUZBDOISCCHTK-UWWQBHOKSA-N 0 3 321.486 3.796 20 10 DHCDHN CCCN(CC)C[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000810261836 1026720920 /nfs/dbraw/zinc/72/09/20/1026720920.db2.gz KSCKOWYKBGVYQH-GUTXKFCHSA-N 0 3 308.441 3.790 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)c([O-])c1 ZINC000811498626 1027013391 /nfs/dbraw/zinc/01/33/91/1027013391.db2.gz AFANPRFCLAQUIQ-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000271752314 1027136537 /nfs/dbraw/zinc/13/65/37/1027136537.db2.gz XYELBBFQPKAYRE-AWEZNQCLSA-N 0 3 316.357 3.550 20 10 DHCDHN CCN(Cc1c(C)nn(CC)c1C)Cc1ccc(N(C)C)cc1 ZINC000156841320 1027175484 /nfs/dbraw/zinc/17/54/84/1027175484.db2.gz DPSFJALMDWJIOR-UHFFFAOYSA-N 0 3 314.477 3.608 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+](C(C)C)[C@@H]3CCOC3)c2c1 ZINC000812290676 1027236616 /nfs/dbraw/zinc/23/66/16/1027236616.db2.gz FOMVPJDSQOGDDF-OAHLLOKOSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C(C)C)[C@@H]3CCOC3)c2c1 ZINC000812290676 1027236633 /nfs/dbraw/zinc/23/66/33/1027236633.db2.gz FOMVPJDSQOGDDF-OAHLLOKOSA-N 0 3 315.413 3.553 20 10 DHCDHN CCOc1cccc(CN2CC(c3ccccc3F)C2)c1O ZINC000812790020 1027408465 /nfs/dbraw/zinc/40/84/65/1027408465.db2.gz IFYCHOBKKLIHFZ-UHFFFAOYSA-N 0 3 301.361 3.529 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000295861462 1027463187 /nfs/dbraw/zinc/46/31/87/1027463187.db2.gz BNCKJDQASDVIPG-LLVKDONJSA-N 0 3 310.319 3.965 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(Cc2nccn2C)CC1 ZINC000364621277 1027857442 /nfs/dbraw/zinc/85/74/42/1027857442.db2.gz GZMOAINFICAYMQ-KRWDZBQOSA-N 0 3 313.445 3.532 20 10 DHCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])OC)c1 ZINC000527923897 1027955191 /nfs/dbraw/zinc/95/51/91/1027955191.db2.gz FDKQIPSPAQXUED-LIRRHRJNSA-N 0 3 315.413 3.748 20 10 DHCDHN COCCC1CC[NH+]([C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000527933812 1027994254 /nfs/dbraw/zinc/99/42/54/1027994254.db2.gz IGNJQVSQWYVTDS-WFASDCNBSA-N 0 3 307.409 3.828 20 10 DHCDHN COc1ccccc1CC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779072453 1028158910 /nfs/dbraw/zinc/15/89/10/1028158910.db2.gz PJULCYBHUNMLGR-UHFFFAOYSA-N 0 3 303.377 3.651 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000367376826 1028176240 /nfs/dbraw/zinc/17/62/40/1028176240.db2.gz DEERMQLXGBADIW-QFBILLFUSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000367376826 1028176244 /nfs/dbraw/zinc/17/62/44/1028176244.db2.gz DEERMQLXGBADIW-QFBILLFUSA-N 0 3 319.445 3.503 20 10 DHCDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)cc1 ZINC000780793967 1028181967 /nfs/dbraw/zinc/18/19/67/1028181967.db2.gz ZWXZOGOGVQBXGR-OCCSQVGLSA-N 0 3 300.368 3.915 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000779081521 1028193031 /nfs/dbraw/zinc/19/30/31/1028193031.db2.gz AGMRELWPKNQZJY-CQSZACIVSA-N 0 3 310.397 3.523 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000779091896 1028225147 /nfs/dbraw/zinc/22/51/47/1028225147.db2.gz YZFHDZAZAJZZMV-CMPLNLGQSA-N 0 3 305.315 3.990 20 10 DHCDHN Cc1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815118969 1028365403 /nfs/dbraw/zinc/36/54/03/1028365403.db2.gz NWROIWXOJDAMLI-RBUKOAKNSA-N 0 3 314.473 3.595 20 10 DHCDHN COc1cc(F)cc(CNCc2c(C)c3ccccc3n2C)c1 ZINC000449295154 1028518697 /nfs/dbraw/zinc/51/86/97/1028518697.db2.gz QETXTUSIQJRORJ-UHFFFAOYSA-N 0 3 312.388 3.924 20 10 DHCDHN CC[C@@H](N[C@H](C)c1ccncc1OC)c1ccc(N(C)C)cc1 ZINC000188769984 1028526982 /nfs/dbraw/zinc/52/69/82/1028526982.db2.gz CRTNFDAHPAQUGT-RDTXWAMCSA-N 0 3 313.445 3.958 20 10 DHCDHN C[C@H]([NH2+]CCCN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555175 1028542318 /nfs/dbraw/zinc/54/23/18/1028542318.db2.gz RMMOLJJHXLECPW-LBPRGKRZSA-N 0 3 316.367 3.548 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c([O-])c1 ZINC000815564243 1028546958 /nfs/dbraw/zinc/54/69/58/1028546958.db2.gz CPACFJIPYWKJIY-SJLPKXTDSA-N 0 3 313.441 3.511 20 10 DHCDHN CC[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577466 1028551498 /nfs/dbraw/zinc/55/14/98/1028551498.db2.gz QVMNSCKOXNGSRG-UYAOXDASSA-N 0 3 313.441 3.817 20 10 DHCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000816515137 1028917787 /nfs/dbraw/zinc/91/77/87/1028917787.db2.gz QIXJSPKRWRHLHQ-YJBOKZPZSA-N 0 3 312.457 3.850 20 10 DHCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000816515137 1028917801 /nfs/dbraw/zinc/91/78/01/1028917801.db2.gz QIXJSPKRWRHLHQ-YJBOKZPZSA-N 0 3 312.457 3.850 20 10 DHCDHN CC[C@H]1CCCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549621 1028930621 /nfs/dbraw/zinc/93/06/21/1028930621.db2.gz UDMOKAHGCNISOC-SFHVURJKSA-N 0 3 312.457 3.900 20 10 DHCDHN Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1[O-])CC3 ZINC000778640454 1029058060 /nfs/dbraw/zinc/05/80/60/1029058060.db2.gz LQEQIHVLNVFUMG-OAHLLOKOSA-N 0 3 306.409 3.829 20 10 DHCDHN Cc1cc(CNCc2ccc(N3CCCCC3)cc2)cc(C)n1 ZINC000817411471 1029153198 /nfs/dbraw/zinc/15/31/98/1029153198.db2.gz RODFJXOVYQFPCC-UHFFFAOYSA-N 0 3 309.457 3.979 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000155230726 1029203641 /nfs/dbraw/zinc/20/36/41/1029203641.db2.gz KLHCMJVSJJZMAF-ROUUACIJSA-N 0 3 316.420 3.875 20 10 DHCDHN CN(C)c1ccc(CNCc2cccc3c2OC(C)(C)C3)cc1 ZINC000078005693 1029216313 /nfs/dbraw/zinc/21/63/13/1029216313.db2.gz OCBPCZRZOQIYLV-UHFFFAOYSA-N 0 3 310.441 3.756 20 10 DHCDHN CCOc1cccc(CN[C@@H](C)c2cc3cnccc3o2)c1O ZINC000865854653 1030060461 /nfs/dbraw/zinc/06/04/61/1030060461.db2.gz RJMALDJINAZTKV-LBPRGKRZSA-N 0 3 312.369 3.783 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000866538259 1030357688 /nfs/dbraw/zinc/35/76/88/1030357688.db2.gz PWENHZQQIHSLQB-AOLWHUPESA-N 0 3 319.420 3.732 20 10 DHCDHN C[C@H](NCc1ccc(OC(F)F)cc1F)c1ccccc1O ZINC000866540863 1030363358 /nfs/dbraw/zinc/36/33/58/1030363358.db2.gz FKMIWVJDVKPWEW-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1[O-] ZINC000866540863 1030363373 /nfs/dbraw/zinc/36/33/73/1030363373.db2.gz FKMIWVJDVKPWEW-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN CCC1([NH3+])CCN([C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000925761247 1030484859 /nfs/dbraw/zinc/48/48/59/1030484859.db2.gz XSSIXOVPCKBZKG-LLVKDONJSA-N 0 3 316.367 3.675 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@H]2CSc3ccccc32)c([O-])c1 ZINC000824483564 1030564095 /nfs/dbraw/zinc/56/40/95/1030564095.db2.gz QMUSHLVJSUCDND-AWEZNQCLSA-N 0 3 315.438 3.770 20 10 DHCDHN CN(C)c1ccc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824691127 1030614943 /nfs/dbraw/zinc/61/49/43/1030614943.db2.gz UJYHJNPSSLXWBZ-SFHVURJKSA-N 0 3 318.848 3.571 20 10 DHCDHN CCOc1cccc(CNC(C)(C)c2ccccc2F)c1O ZINC000291721290 1030616910 /nfs/dbraw/zinc/61/69/10/1030616910.db2.gz MNXHEBQVIRBDKU-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN CC[C@H]([NH2+]C[C@](O)(CC)CCC(F)(F)F)c1ccccc1[O-] ZINC000897524565 1030619050 /nfs/dbraw/zinc/61/90/50/1030619050.db2.gz ZMLMNURNSZDGDQ-ZFWWWQNUSA-N 0 3 319.367 3.917 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000824798895 1030640952 /nfs/dbraw/zinc/64/09/52/1030640952.db2.gz IPLBXDUZQIZCAG-BBRMVZONSA-N 0 3 311.853 3.895 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1ccccc1[O-] ZINC000291981535 1030737359 /nfs/dbraw/zinc/73/73/59/1030737359.db2.gz VKMCDWDRSLDPKI-PRXAMGSTSA-N 0 3 303.427 3.807 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([O-])c1 ZINC000248492719 1030750106 /nfs/dbraw/zinc/75/01/06/1030750106.db2.gz JORVAEMCUIDHKX-OXXUSNJHSA-N 0 3 301.430 3.699 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000292011660 1030755544 /nfs/dbraw/zinc/75/55/44/1030755544.db2.gz YUUMNXDAHMADOA-WVQJBOLRSA-N 0 3 321.417 3.946 20 10 DHCDHN CC[C@H](NCc1ccc(N(C)C)cc1C)c1c(C)nn(C)c1C ZINC000122811365 1030883471 /nfs/dbraw/zinc/88/34/71/1030883471.db2.gz GJUHOULIYVWSHG-SFHVURJKSA-N 0 3 314.477 3.652 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915377 1030986688 /nfs/dbraw/zinc/98/66/88/1030986688.db2.gz KQGOQSFDCSWOTQ-CORIIIEPSA-N 0 3 317.351 3.933 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915715 1030989052 /nfs/dbraw/zinc/98/90/52/1030989052.db2.gz LVEIJDHLYBQQKQ-MJVIPROJSA-N 0 3 303.324 3.543 20 10 DHCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](CC)c3ccccc3[O-])C2)n1 ZINC000927053187 1031051644 /nfs/dbraw/zinc/05/16/44/1031051644.db2.gz OPDKBOZNYLGLCW-UMVBOHGHSA-N 0 3 315.417 3.715 20 10 DHCDHN CC[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000927069809 1031069995 /nfs/dbraw/zinc/06/99/95/1031069995.db2.gz NEPACDTWBWZSPP-HHXXYDBFSA-N 0 3 303.446 3.947 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2[O-] ZINC000927090179 1031080582 /nfs/dbraw/zinc/08/05/82/1031080582.db2.gz JJCSLEJIUVHMLJ-IAQYHMDHSA-N 0 3 313.372 3.804 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([O-])c1 ZINC000292742517 1031153985 /nfs/dbraw/zinc/15/39/85/1031153985.db2.gz HOFDIAJNFVPZSL-JKSUJKDBSA-N 0 3 311.372 3.658 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([O-])c1 ZINC000292742517 1031153994 /nfs/dbraw/zinc/15/39/94/1031153994.db2.gz HOFDIAJNFVPZSL-JKSUJKDBSA-N 0 3 311.372 3.658 20 10 DHCDHN CCOc1c(F)cc(CN(C)Cc2ccccc2O)cc1F ZINC001144033590 1031198511 /nfs/dbraw/zinc/19/85/11/1031198511.db2.gz XMSLTZORBNNNAQ-UHFFFAOYSA-N 0 3 307.340 3.701 20 10 DHCDHN C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cc(F)ccc1[O-] ZINC000844922898 1031400498 /nfs/dbraw/zinc/40/04/98/1031400498.db2.gz COTQDGAFFMCGPV-CZUORRHYSA-N 0 3 314.404 3.999 20 10 DHCDHN C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C)c1ccccc1[O-] ZINC000360709351 1031531357 /nfs/dbraw/zinc/53/13/57/1031531357.db2.gz CJEWONZNIJAEOX-ADLFWFRXSA-N 0 3 310.441 3.661 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293708840 1031582514 /nfs/dbraw/zinc/58/25/14/1031582514.db2.gz LVNCOFJNXFUGAE-DZGCQCFKSA-N 0 3 301.434 3.501 20 10 DHCDHN CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000361065972 1031707047 /nfs/dbraw/zinc/70/70/47/1031707047.db2.gz IXVUMNPZGJVZTG-INIZCTEOSA-N 0 3 317.408 3.516 20 10 DHCDHN CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000361065972 1031707060 /nfs/dbraw/zinc/70/70/60/1031707060.db2.gz IXVUMNPZGJVZTG-INIZCTEOSA-N 0 3 317.408 3.516 20 10 DHCDHN CN(C)c1ccc(/C=C/CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846105387 1031881059 /nfs/dbraw/zinc/88/10/59/1031881059.db2.gz TVHIVPBSWWRJFR-NJELEJDNSA-N 0 3 306.400 3.887 20 10 DHCDHN CCC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142810 1031902335 /nfs/dbraw/zinc/90/23/35/1031902335.db2.gz BHDLCULQAWRMER-CJNGLKHVSA-N 0 3 300.402 3.988 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c([O-])c1 ZINC000846200943 1031928230 /nfs/dbraw/zinc/92/82/30/1031928230.db2.gz JNSAOUFYQBFJFK-OGWOLHLISA-N 0 3 312.413 3.667 20 10 DHCDHN COC[C@H](NCc1ccc(C)cc1O)c1ccc(Cl)cc1 ZINC000877484103 1033317261 /nfs/dbraw/zinc/31/72/61/1033317261.db2.gz XTFCPXXRNNEOLI-INIZCTEOSA-N 0 3 305.805 3.831 20 10 DHCDHN Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000877519669 1033334772 /nfs/dbraw/zinc/33/47/72/1033334772.db2.gz ZEHHAKMEENOLML-AQNXPRMDSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000877519669 1033334783 /nfs/dbraw/zinc/33/47/83/1033334783.db2.gz ZEHHAKMEENOLML-AQNXPRMDSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c([O-])c1 ZINC000877549151 1033350331 /nfs/dbraw/zinc/35/03/31/1033350331.db2.gz HTLQYRGCEKMLRG-IBGZPJMESA-N 0 3 311.425 3.694 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c([O-])c1 ZINC000877575952 1033366455 /nfs/dbraw/zinc/36/64/55/1033366455.db2.gz CTHRQWYZNRAHBM-INIZCTEOSA-N 0 3 305.443 3.612 20 10 DHCDHN COCc1ccccc1/C=C(\C)CN1Cc2cccc(O)c2C1 ZINC000877703284 1033417778 /nfs/dbraw/zinc/41/77/78/1033417778.db2.gz ZYWBPMGEVAPFLK-XNTDXEJSSA-N 0 3 309.409 3.958 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2O)c1[O-] ZINC000877757070 1033434814 /nfs/dbraw/zinc/43/48/14/1033434814.db2.gz DWXIVGULGFLWCO-JTQLQIEISA-N 0 3 307.777 3.611 20 10 DHCDHN CC(C)n1ncc2cc(C[NH2+][C@@H](C)c3ccccc3[O-])cnc21 ZINC000877757147 1033435248 /nfs/dbraw/zinc/43/52/48/1033435248.db2.gz JDKXWOLKOJTBAY-ZDUSSCGKSA-N 0 3 310.401 3.569 20 10 DHCDHN COc1cc(C)c(C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000877756497 1033435520 /nfs/dbraw/zinc/43/55/20/1033435520.db2.gz MVSYSQUQUNHQDN-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000862528641 1033873011 /nfs/dbraw/zinc/87/30/11/1033873011.db2.gz FEQUHRNJMGMZOM-YESZJQIVSA-N 0 3 309.409 3.636 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000862528641 1033873026 /nfs/dbraw/zinc/87/30/26/1033873026.db2.gz FEQUHRNJMGMZOM-YESZJQIVSA-N 0 3 309.409 3.636 20 10 DHCDHN COc1cccc(SCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879649635 1034070033 /nfs/dbraw/zinc/07/00/33/1034070033.db2.gz ABXBKIUGVXEDLM-ZDUSSCGKSA-N 0 3 303.427 3.844 20 10 DHCDHN COc1cccc(SCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649633 1034071951 /nfs/dbraw/zinc/07/19/51/1034071951.db2.gz ABXBKIUGVXEDLM-CYBMUJFWSA-N 0 3 303.427 3.844 20 10 DHCDHN Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651537 1034074288 /nfs/dbraw/zinc/07/42/88/1034074288.db2.gz ACOUVWDFZWHWDL-LSDHHAIUSA-N 0 3 312.413 3.687 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)Cc3cccn3C)c2c1 ZINC000128356145 1034295885 /nfs/dbraw/zinc/29/58/85/1034295885.db2.gz QJXZIRLEOOQMKQ-UHFFFAOYSA-N 0 3 310.397 3.525 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)Cc3cccn3C)c2c1 ZINC000128356145 1034295914 /nfs/dbraw/zinc/29/59/14/1034295914.db2.gz QJXZIRLEOOQMKQ-UHFFFAOYSA-N 0 3 310.397 3.525 20 10 DHCDHN Cc1cccc2c(CN(C)Cc3ccc(N(C)C)cc3)[nH]nc21 ZINC001137150751 1034298278 /nfs/dbraw/zinc/29/82/78/1034298278.db2.gz VDQLVKLIODPDQP-UHFFFAOYSA-N 0 3 308.429 3.569 20 10 DHCDHN CCN(CC)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])c1ccco1 ZINC000183468495 1034390141 /nfs/dbraw/zinc/39/01/41/1034390141.db2.gz RVECJWVRCCSWLP-GDBMZVCRSA-N 0 3 302.418 3.719 20 10 DHCDHN COCCCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183626066 1034404715 /nfs/dbraw/zinc/40/47/15/1034404715.db2.gz SIIGWDKZDFFNAR-HNNXBMFYSA-N 0 3 315.413 3.658 20 10 DHCDHN CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)c([O-])c1 ZINC000183715071 1034413773 /nfs/dbraw/zinc/41/37/73/1034413773.db2.gz GCFRPEUEGKQYDK-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c([O-])c1 ZINC000183715071 1034413777 /nfs/dbraw/zinc/41/37/77/1034413777.db2.gz GCFRPEUEGKQYDK-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCCOc1ccc(CN(C)[C@@H](C)c2ccncc2)c(O)c1 ZINC000183715071 1034413781 /nfs/dbraw/zinc/41/37/81/1034413781.db2.gz GCFRPEUEGKQYDK-AWEZNQCLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185010070 1034517600 /nfs/dbraw/zinc/51/76/00/1034517600.db2.gz HDQMUVALWLYTMF-LBPRGKRZSA-N 0 3 319.376 3.789 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(C)cc1[O-] ZINC000794815756 1034527626 /nfs/dbraw/zinc/52/76/26/1034527626.db2.gz LNDNIBKGTNWSNM-OAHLLOKOSA-N 0 3 320.820 3.869 20 10 DHCDHN CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(C)cc1[O-] ZINC000794817214 1034534294 /nfs/dbraw/zinc/53/42/94/1034534294.db2.gz NWTAAQXMSIIXAQ-DOTOQJQBSA-N 0 3 305.462 3.930 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1[O-] ZINC000185232677 1034536896 /nfs/dbraw/zinc/53/68/96/1034536896.db2.gz HJLKOVMZKSIRPV-LLVKDONJSA-N 0 3 306.356 3.587 20 10 DHCDHN CC[C@@H](NCc1nn(C)c2ccccc12)c1ccc(C)cc1O ZINC000794817708 1034539126 /nfs/dbraw/zinc/53/91/26/1034539126.db2.gz VCTUTZVMUDEEIB-MRXNPFEDSA-N 0 3 309.413 3.828 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794817768 1034539344 /nfs/dbraw/zinc/53/93/44/1034539344.db2.gz VQHJYWKKKVCEGT-MJGOQNOKSA-N 0 3 313.441 3.653 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185346280 1034542189 /nfs/dbraw/zinc/54/21/89/1034542189.db2.gz SQWBCVKAGYNZDJ-NWDGAFQWSA-N 0 3 307.825 3.537 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(F)cc1[O-] ZINC000185459325 1034547726 /nfs/dbraw/zinc/54/77/26/1034547726.db2.gz YWFNMYBWBLJAEX-LBPRGKRZSA-N 0 3 320.383 3.583 20 10 DHCDHN C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186159693 1034605086 /nfs/dbraw/zinc/60/50/86/1034605086.db2.gz XGNBYHHTLXTETA-SCLBCKFNSA-N 0 3 315.388 3.696 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([O-])c1 ZINC000186355086 1034624666 /nfs/dbraw/zinc/62/46/66/1034624666.db2.gz JORVAEMCUIDHKX-PLYYQAHHSA-N 0 3 301.430 3.699 20 10 DHCDHN CCc1cnccc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000773429747 1034718392 /nfs/dbraw/zinc/71/83/92/1034718392.db2.gz VVEVMDYMAMWFPW-CYBMUJFWSA-N 0 3 301.409 3.700 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccccc1[O-] ZINC000194374338 1035119449 /nfs/dbraw/zinc/11/94/49/1035119449.db2.gz DSGSRYCHGUOVSZ-KRWDZBQOSA-N 0 3 307.397 3.819 20 10 DHCDHN CCCN(CCC)c1ccc(CNCc2cc(C)[nH]n2)cc1 ZINC001177920103 1035398489 /nfs/dbraw/zinc/39/84/89/1035398489.db2.gz QMHBGUMTHLDOOP-UHFFFAOYSA-N 0 3 300.450 3.634 20 10 DHCDHN Cc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1C ZINC001193002662 1035528088 /nfs/dbraw/zinc/52/80/88/1035528088.db2.gz LUVTUKIEJUNUGG-UHFFFAOYSA-N 0 3 323.484 3.692 20 10 DHCDHN C[C@@H](NCc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775558392 1035534094 /nfs/dbraw/zinc/53/40/94/1035534094.db2.gz LRFRTDXLEWJTAF-LLVKDONJSA-N 0 3 315.804 3.783 20 10 DHCDHN CSCC[C@@H](C)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC001180017608 1035569680 /nfs/dbraw/zinc/56/96/80/1035569680.db2.gz HXVUIBJRIVQYLE-LLVKDONJSA-N 0 3 302.434 3.604 20 10 DHCDHN CN(C)c1ccc(/C=C/CN2CCN(C)c3ccccc3C2)cc1 ZINC001180213040 1035624239 /nfs/dbraw/zinc/62/42/39/1035624239.db2.gz NNHFNDNBHSZOHV-VOTSOKGWSA-N 0 3 321.468 3.718 20 10 DHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001204279155 1035753959 /nfs/dbraw/zinc/75/39/59/1035753959.db2.gz RUIGHBNXNDBTKL-UHFFFAOYSA-N 0 3 315.388 3.692 20 10 DHCDHN COc1cc(C)c(C[NH2+]C[C@H]2CSc3ccccc32)c([O-])c1 ZINC001181973170 1036077686 /nfs/dbraw/zinc/07/76/86/1036077686.db2.gz XAJSGURXXBZNST-ZDUSSCGKSA-N 0 3 315.438 3.688 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)c2c1c(F)ccc2[O-] ZINC000774380174 1036307202 /nfs/dbraw/zinc/30/72/02/1036307202.db2.gz RKRJSRSJQHPBNV-INWMFGNUSA-N 0 3 318.436 3.686 20 10 DHCDHN Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000774486031 1036356626 /nfs/dbraw/zinc/35/66/26/1036356626.db2.gz UPIGDTBFCDCQPR-NUTKFTJISA-N 0 3 315.388 3.711 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000775726668 1036574864 /nfs/dbraw/zinc/57/48/64/1036574864.db2.gz WBGVHWHMTCOMSQ-AWEZNQCLSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000775726668 1036574870 /nfs/dbraw/zinc/57/48/70/1036574870.db2.gz WBGVHWHMTCOMSQ-AWEZNQCLSA-N 0 3 309.837 3.603 20 10 DHCDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000774832203 1037046498 /nfs/dbraw/zinc/04/64/98/1037046498.db2.gz LASAEJNJAWVJLE-PXNSSMCTSA-N 0 3 311.425 3.964 20 10 DHCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](C(C)C)N2CCCC2)c(Cl)c1 ZINC001199161217 1037210639 /nfs/dbraw/zinc/21/06/39/1037210639.db2.gz IMGHFDHRGGAUHW-INIZCTEOSA-N 0 3 310.869 3.564 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000776224791 1037930227 /nfs/dbraw/zinc/93/02/27/1037930227.db2.gz VZMYREBSEFJSAX-IMJJTQAJSA-N 0 3 309.837 3.647 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000775365818 1038279905 /nfs/dbraw/zinc/27/99/05/1038279905.db2.gz XUWOCJXGCANCIG-CYBMUJFWSA-N 0 3 303.837 3.960 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000775488569 1038561934 /nfs/dbraw/zinc/56/19/34/1038561934.db2.gz OMVPRLYDSPXHIM-XHSDSOJGSA-N 0 3 308.853 3.713 20 10 DHCDHN CC[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1[O-] ZINC000775509742 1038602093 /nfs/dbraw/zinc/60/20/93/1038602093.db2.gz QCAKWFHBDDPMMJ-IBGZPJMESA-N 0 3 324.468 3.532 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC000775522200 1038624936 /nfs/dbraw/zinc/62/49/36/1038624936.db2.gz MAEOBEUMVFLYAI-HOCLYGCPSA-N 0 3 313.397 3.663 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnccc2C)c1[O-] ZINC000761214669 1040653922 /nfs/dbraw/zinc/65/39/22/1040653922.db2.gz DXBGLWOEVBRXRA-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272249177 130011918 /nfs/dbraw/zinc/01/19/18/130011918.db2.gz IAPYLSSUJWOVJH-CYBMUJFWSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272249177 130011919 /nfs/dbraw/zinc/01/19/19/130011919.db2.gz IAPYLSSUJWOVJH-CYBMUJFWSA-N 0 3 301.361 3.529 20 10 DHCDHN CCCOc1ccc(CN[C@H](CCOC)c2ccco2)c(O)c1 ZINC000272615061 130046720 /nfs/dbraw/zinc/04/67/20/130046720.db2.gz VDUMHWZYTKWZIG-MRXNPFEDSA-N 0 3 319.401 3.641 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c([O-])c1C ZINC000273364236 130111600 /nfs/dbraw/zinc/11/16/00/130111600.db2.gz BADIDELUJKIMAX-FUHWJXTLSA-N 0 3 313.441 3.826 20 10 DHCDHN COc1ccc(OC)c(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000273388761 130115540 /nfs/dbraw/zinc/11/55/40/130115540.db2.gz KDNOZVPVKVYSCU-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1nccn1CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273434889 130120472 /nfs/dbraw/zinc/12/04/72/130120472.db2.gz WQDJMQFGFZFXCE-AWEZNQCLSA-N 0 3 309.413 3.791 20 10 DHCDHN COc1cccc(C2(N[C@@H](C)c3cc(OC)ccc3O)CC2)c1 ZINC000273489456 130127990 /nfs/dbraw/zinc/12/79/90/130127990.db2.gz OBHMVZUOYKAAHA-ZDUSSCGKSA-N 0 3 313.397 3.749 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000273503422 130129240 /nfs/dbraw/zinc/12/92/40/130129240.db2.gz QNLIKTHCIUQVJF-DCGLDWPTSA-N 0 3 307.434 3.645 20 10 DHCDHN Cc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(O)c1C ZINC000273527025 130132261 /nfs/dbraw/zinc/13/22/61/130132261.db2.gz VMXMTMKTHLTGMW-OLZOCXBDSA-N 0 3 302.422 3.662 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273532215 130133424 /nfs/dbraw/zinc/13/34/24/130133424.db2.gz WRQGGUPRQUMEHZ-RBSFLKMASA-N 0 3 303.446 3.737 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000273530961 130133442 /nfs/dbraw/zinc/13/34/42/130133442.db2.gz WJMDWYWDHDXSDF-SUMWQHHRSA-N 0 3 313.397 3.802 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccccc1[O-] ZINC000274909418 130273854 /nfs/dbraw/zinc/27/38/54/130273854.db2.gz MTSNJFLAFNWUTO-IBGZPJMESA-N 0 3 321.424 3.878 20 10 DHCDHN COCC1=CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000274973164 130279332 /nfs/dbraw/zinc/27/93/32/130279332.db2.gz WKPPPYLVEWDAPV-UHFFFAOYSA-N 0 3 309.409 3.838 20 10 DHCDHN COCC1=CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000274973164 130279336 /nfs/dbraw/zinc/27/93/36/130279336.db2.gz WKPPPYLVEWDAPV-UHFFFAOYSA-N 0 3 309.409 3.838 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2ccnc(OC(F)F)c2)c1 ZINC000284252403 131064234 /nfs/dbraw/zinc/06/42/34/131064234.db2.gz FTKXDJJFWCDLKG-NSHDSACASA-N 0 3 308.328 3.548 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c([O-])c1 ZINC000284297330 131067430 /nfs/dbraw/zinc/06/74/30/131067430.db2.gz YMDTZEOXXMHDKS-CXAGYDPISA-N 0 3 305.443 3.629 20 10 DHCDHN C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000286870090 131253526 /nfs/dbraw/zinc/25/35/26/131253526.db2.gz BRZBVGAOPADQJK-LRDDRELGSA-N 0 3 305.805 3.820 20 10 DHCDHN Cc1cc(O)c(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288373585 131322610 /nfs/dbraw/zinc/32/26/10/131322610.db2.gz FICFLHUPEKWKSS-KRWDZBQOSA-N 0 3 319.832 3.876 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288373585 131322611 /nfs/dbraw/zinc/32/26/11/131322611.db2.gz FICFLHUPEKWKSS-KRWDZBQOSA-N 0 3 319.832 3.876 20 10 DHCDHN CCCCN(Cc1cnc([C@H](C)O)s1)Cc1ccccc1O ZINC000289546010 131394801 /nfs/dbraw/zinc/39/48/01/131394801.db2.gz FWYSHFDSEMPOKV-ZDUSSCGKSA-N 0 3 320.458 3.704 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(-n2cccn2)cc1 ZINC000297957747 132042274 /nfs/dbraw/zinc/04/22/74/132042274.db2.gz ZCARLVYRJRSGAQ-KSSFIOAISA-N 0 3 319.408 3.916 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000119659177 132135389 /nfs/dbraw/zinc/13/53/89/132135389.db2.gz AVTUJFAWDNCZAM-SFHVURJKSA-N 0 3 324.468 3.991 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000129713518 332020265 /nfs/dbraw/zinc/02/02/65/332020265.db2.gz AUYMSMOBZLBBMT-MRXNPFEDSA-N 0 3 300.358 3.584 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000129713269 332020297 /nfs/dbraw/zinc/02/02/97/332020297.db2.gz AUYMSMOBZLBBMT-INIZCTEOSA-N 0 3 300.358 3.584 20 10 DHCDHN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719134 333142889 /nfs/dbraw/zinc/14/28/89/333142889.db2.gz ARKYVSVACXWMGV-ACJLOTCBSA-N 0 3 300.450 3.596 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(OCC3CC3)nc2)c1 ZINC000185261827 333206524 /nfs/dbraw/zinc/20/65/24/333206524.db2.gz QKBQOZVPHFLHQU-AWEZNQCLSA-N 0 3 312.413 3.735 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000185261827 333206525 /nfs/dbraw/zinc/20/65/25/333206525.db2.gz QKBQOZVPHFLHQU-AWEZNQCLSA-N 0 3 312.413 3.735 20 10 DHCDHN CCOc1cccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000294986482 335129584 /nfs/dbraw/zinc/12/95/84/335129584.db2.gz KFFGXSSTJZIFCK-YPMHNXCESA-N 0 3 317.351 3.954 20 10 DHCDHN CC(C)(CO)[C@@H](NCc1ccc2c(c1)CCO2)c1cccs1 ZINC000295883844 335138478 /nfs/dbraw/zinc/13/84/78/335138478.db2.gz BLZCBMDVZYZQNH-KRWDZBQOSA-N 0 3 317.454 3.532 20 10 DHCDHN Cc1cccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1[O-] ZINC000295940037 335138729 /nfs/dbraw/zinc/13/87/29/335138729.db2.gz GQVKYRHQPRESPJ-MRXNPFEDSA-N 0 3 305.443 3.612 20 10 DHCDHN C[C@@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(Cl)c1 ZINC000296335859 335143582 /nfs/dbraw/zinc/14/35/82/335143582.db2.gz GQEXIQLAOMGNMC-MAUKXSAKSA-N 0 3 317.816 3.530 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000271362380 334021406 /nfs/dbraw/zinc/02/14/06/334021406.db2.gz NPNMQTASPHGNMK-GDBMZVCRSA-N 0 3 303.427 3.542 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000271362380 334021408 /nfs/dbraw/zinc/02/14/08/334021408.db2.gz NPNMQTASPHGNMK-GDBMZVCRSA-N 0 3 303.427 3.542 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc2ccccc2c1[O-] ZINC000278983491 334104544 /nfs/dbraw/zinc/10/45/44/334104544.db2.gz PCWJDWKURIMRIA-GJZGRUSLSA-N 0 3 321.424 3.655 20 10 DHCDHN CC[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1[O-] ZINC000192931128 336284673 /nfs/dbraw/zinc/28/46/73/336284673.db2.gz XKKSVZPQNGZOIQ-MRXNPFEDSA-N 0 3 309.413 3.873 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000372595976 336935309 /nfs/dbraw/zinc/93/53/09/336935309.db2.gz RJMKLJCHPCEQHX-HNNXBMFYSA-N 0 3 315.417 3.588 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375256590 337006595 /nfs/dbraw/zinc/00/65/95/337006595.db2.gz SUJQRTGGXMKBLT-ICSRJNTNSA-N 0 3 309.409 3.975 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375256590 337006596 /nfs/dbraw/zinc/00/65/96/337006596.db2.gz SUJQRTGGXMKBLT-ICSRJNTNSA-N 0 3 309.409 3.975 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000375255465 337006703 /nfs/dbraw/zinc/00/67/03/337006703.db2.gz GNAJJCICETUFCD-DOTOQJQBSA-N 0 3 313.445 3.532 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000375255465 337006704 /nfs/dbraw/zinc/00/67/04/337006704.db2.gz GNAJJCICETUFCD-DOTOQJQBSA-N 0 3 313.445 3.532 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c([O-])c1C ZINC000376896728 337043484 /nfs/dbraw/zinc/04/34/84/337043484.db2.gz OZFGDCHRZDKPPU-RHSMWYFYSA-N 0 3 324.424 3.786 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000183551499 337192155 /nfs/dbraw/zinc/19/21/55/337192155.db2.gz VQIMMWMPGJTSBG-QWHCGFSZSA-N 0 3 318.367 3.600 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccc1[O-] ZINC000185209310 337203272 /nfs/dbraw/zinc/20/32/72/337203272.db2.gz LDCVNQUUGIKPQR-QGZVFWFLSA-N 0 3 307.397 3.819 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000248482925 337565444 /nfs/dbraw/zinc/56/54/44/337565444.db2.gz CJLLJLLJICKMCQ-BJVKYNJZSA-N 0 3 309.409 3.637 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc(F)ccc1[O-] ZINC000527954159 337774078 /nfs/dbraw/zinc/77/40/78/337774078.db2.gz YTXMMVUKYLYADC-CJNGLKHVSA-N 0 3 306.425 3.589 20 10 DHCDHN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000530215878 340782818 /nfs/dbraw/zinc/78/28/18/340782818.db2.gz JVPFICWXZCAEPV-YMTOWFKASA-N 0 3 315.244 3.634 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c(OC)c1 ZINC000323909036 341704959 /nfs/dbraw/zinc/70/49/59/341704959.db2.gz RUTOXLPZKQJRRB-BLLLJJGKSA-N 0 3 313.397 3.748 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)CC2 ZINC000296123234 341715950 /nfs/dbraw/zinc/71/59/50/341715950.db2.gz VLECDWBBMQLLCG-AWEZNQCLSA-N 0 3 305.324 3.771 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2[O-])cn1 ZINC000155748233 520372364 /nfs/dbraw/zinc/37/23/64/520372364.db2.gz XOEQTOLMWSXPIV-INIZCTEOSA-N 0 3 300.402 3.817 20 10 DHCDHN CC[C@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000156409014 522743824 /nfs/dbraw/zinc/74/38/24/522743824.db2.gz VWINWMIWAZZQSK-ZWKOTPCHSA-N 0 3 315.413 3.565 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000127081054 522863601 /nfs/dbraw/zinc/86/36/01/522863601.db2.gz HLUOVHOPCGSMTM-WBVHZDCISA-N 0 3 323.795 3.959 20 10 DHCDHN COc1cc([C@H](C)NCc2ccc3c(c2)CCN3C)ccc1F ZINC000154417854 522945460 /nfs/dbraw/zinc/94/54/60/522945460.db2.gz VMLFSYNHQATVEV-ZDUSSCGKSA-N 0 3 314.404 3.677 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCOc3c(F)cccc32)c1 ZINC000188060534 524774557 /nfs/dbraw/zinc/77/45/57/524774557.db2.gz NCQTZFJVCGEZAF-ZBEGNZNMSA-N 0 3 317.360 3.714 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1C ZINC000156543237 525315670 /nfs/dbraw/zinc/31/56/70/525315670.db2.gz QSBJNYJWPVMFPM-CQSZACIVSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1C ZINC000156543237 525315680 /nfs/dbraw/zinc/31/56/80/525315680.db2.gz QSBJNYJWPVMFPM-CQSZACIVSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1ccc(O)c(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000180285520 525340062 /nfs/dbraw/zinc/34/00/62/525340062.db2.gz FHPWJQBIYNZLLY-PEBXRYMYSA-N 0 3 317.454 3.631 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000184973186 525365534 /nfs/dbraw/zinc/36/55/34/525365534.db2.gz OJFZQCJEBSGOIV-HNNXBMFYSA-N 0 3 311.429 3.547 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(F)ccc1[O-] ZINC000188047542 525626095 /nfs/dbraw/zinc/62/60/95/525626095.db2.gz GCHLWDCFELLIBQ-BONVTDFDSA-N 0 3 305.324 3.845 20 10 DHCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+](C2CCCC2)CC1 ZINC000267247895 526362831 /nfs/dbraw/zinc/36/28/31/526362831.db2.gz YTXNSFOCVYFJDZ-UHFFFAOYSA-N 0 3 308.853 3.542 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000285519448 535805410 /nfs/dbraw/zinc/80/54/10/535805410.db2.gz OFDFHJXPWKTVRF-MRXNPFEDSA-N 0 3 315.413 3.959 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C)[C@@H](F)C3)c2c1 ZINC000777965691 1032060256 /nfs/dbraw/zinc/06/02/56/1032060256.db2.gz FGCASYDLSNBMMI-PXAZEXFGSA-N 0 3 303.377 3.734 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C)[C@@H](F)C3)c2c1 ZINC000777965691 1032060271 /nfs/dbraw/zinc/06/02/71/1032060271.db2.gz FGCASYDLSNBMMI-PXAZEXFGSA-N 0 3 303.377 3.734 20 10 DHCDHN COC[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 ZINC000296854964 1013217622 /nfs/dbraw/zinc/21/76/22/1013217622.db2.gz NLBALKIZWVNPGB-JKSUJKDBSA-N 0 3 319.351 3.635 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000155410495 1013463244 /nfs/dbraw/zinc/46/32/44/1013463244.db2.gz CWCJTJKIHGCTGN-FPTDNZKUSA-N 0 3 317.454 3.592 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccnn1C1CCC1 ZINC000925082051 1013504257 /nfs/dbraw/zinc/50/42/57/1013504257.db2.gz UDXCDXRXNWGFLA-HNNXBMFYSA-N 0 3 312.461 3.833 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000079121648 1013895256 /nfs/dbraw/zinc/89/52/56/1013895256.db2.gz PFGWMRGCYIWTGJ-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783504618 1014693125 /nfs/dbraw/zinc/69/31/25/1014693125.db2.gz HRXSXRXBTOZDQN-KBPBESRZSA-N 0 3 313.397 3.793 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)CC(F)F)c1[O-] ZINC000895534546 1015191838 /nfs/dbraw/zinc/19/18/38/1015191838.db2.gz JHVOUOBNPVYFFH-UHFFFAOYSA-N 0 3 307.768 3.825 20 10 DHCDHN Cc1ccc(O)c(CNCc2cnc(CC(F)(F)F)s2)c1 ZINC000895579618 1015215312 /nfs/dbraw/zinc/21/53/12/1015215312.db2.gz BAYIBXWEEZONEZ-UHFFFAOYSA-N 0 3 316.348 3.552 20 10 DHCDHN C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1[O-] ZINC000895850953 1015333524 /nfs/dbraw/zinc/33/35/24/1015333524.db2.gz HDZXAAGKTUOPCB-SECBINFHSA-N 0 3 316.348 3.804 20 10 DHCDHN COc1ccc(CN([C@H](C)c2ccco2)C2CC2)c(O)c1OC ZINC000891802113 1015636691 /nfs/dbraw/zinc/63/66/91/1015636691.db2.gz NXOFKYLCHZSPIB-GFCCVEGCSA-N 0 3 317.385 3.728 20 10 DHCDHN Cc1cccc(CN2CCN(Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000216348613 1015764625 /nfs/dbraw/zinc/76/46/25/1015764625.db2.gz CPAZJYIUBIDRTB-UHFFFAOYSA-N 0 3 324.468 3.635 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)OC(C)(C)C3)c2c1 ZINC000065224450 1016010746 /nfs/dbraw/zinc/01/07/46/1016010746.db2.gz DPVINGJEUSCXTH-CYBMUJFWSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)OC(C)(C)C3)c2c1 ZINC000065224450 1016010755 /nfs/dbraw/zinc/01/07/55/1016010755.db2.gz DPVINGJEUSCXTH-CYBMUJFWSA-N 0 3 315.413 3.553 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1[O-] ZINC000184835226 1016389011 /nfs/dbraw/zinc/38/90/11/1016389011.db2.gz LTICMHLIEYOKGQ-SJCJKPOMSA-N 0 3 320.383 3.624 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)c([O-])c1 ZINC000184998684 1016490817 /nfs/dbraw/zinc/49/08/17/1016490817.db2.gz YRARBMVJBWRLHP-IAGOWNOFSA-N 0 3 310.441 3.878 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c([O-])c1 ZINC000185576320 1017020877 /nfs/dbraw/zinc/02/08/77/1017020877.db2.gz LEDFLZQZNJYCDH-ZIAGYGMSSA-N 0 3 303.377 3.958 20 10 DHCDHN COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185578720 1017030417 /nfs/dbraw/zinc/03/04/17/1017030417.db2.gz LLIKUGDAIZONHZ-HUUCEWRRSA-N 0 3 315.413 3.827 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000840880209 1017301732 /nfs/dbraw/zinc/30/17/32/1017301732.db2.gz JHSHYCBEAAWSFE-YJBOKZPZSA-N 0 3 317.404 3.657 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000185979992 1017594093 /nfs/dbraw/zinc/59/40/93/1017594093.db2.gz BCWIWLYWTPISSR-UONOGXRCSA-N 0 3 322.449 3.655 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1[O-] ZINC001171456480 1032717648 /nfs/dbraw/zinc/71/76/48/1032717648.db2.gz BIUSFAXNCIKLLK-FZMZJTMJSA-N 0 3 303.352 3.879 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)c2cccnc2)c1[O-] ZINC000840976923 1017734848 /nfs/dbraw/zinc/73/48/48/1017734848.db2.gz ZFZOTSVLOVXKGE-UHFFFAOYSA-N 0 3 304.821 3.816 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c([O-])c1 ZINC000186149158 1017959102 /nfs/dbraw/zinc/95/91/02/1017959102.db2.gz YHGMRMDLXUUGMS-CQSZACIVSA-N 0 3 323.396 3.644 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010824 1032740288 /nfs/dbraw/zinc/74/02/88/1032740288.db2.gz NFHWCLDIXPOUPV-GOSISDBHSA-N 0 3 324.424 3.708 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010824 1032740301 /nfs/dbraw/zinc/74/03/01/1032740301.db2.gz NFHWCLDIXPOUPV-GOSISDBHSA-N 0 3 324.424 3.708 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000701920905 1018124173 /nfs/dbraw/zinc/12/41/73/1018124173.db2.gz TYMCBAQYNSUCPO-UKRRQHHQSA-N 0 3 322.449 3.688 20 10 DHCDHN CC[C@@H]([NH2+][C@@]1(CO)CCCc2ccccc21)c1ccccc1[O-] ZINC000367328571 1018151673 /nfs/dbraw/zinc/15/16/73/1018151673.db2.gz ZVIKCAYMMRMRTC-UYAOXDASSA-N 0 3 311.425 3.657 20 10 DHCDHN Cn1cc(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000263692126 1032754393 /nfs/dbraw/zinc/75/43/93/1032754393.db2.gz CRTMKOZUOQRMJM-UHFFFAOYSA-N 0 3 321.424 3.515 20 10 DHCDHN CC(C)(C)c1cccc(CN2CC3(C2)C[C@H](F)CS3)c1O ZINC001143112083 1019405059 /nfs/dbraw/zinc/40/50/59/1019405059.db2.gz JKBKLIVAVOZGQI-ZDUSSCGKSA-N 0 3 309.450 3.719 20 10 DHCDHN COc1cc(Br)cc(C[NH2+]C2(C)CCCC2)c1[O-] ZINC000728063734 1019859140 /nfs/dbraw/zinc/85/91/40/1019859140.db2.gz ZZXFUPDQCQZATH-UHFFFAOYSA-N 0 3 314.223 3.586 20 10 DHCDHN Cc1ccc([C@H](C)NCc2cccnc2OCC(F)F)c(O)c1 ZINC000186199366 1019880071 /nfs/dbraw/zinc/88/00/71/1019880071.db2.gz TXDCQJQAQBWJSA-LBPRGKRZSA-N 0 3 322.355 3.590 20 10 DHCDHN C[N@H+](Cc1ccc(F)c(Br)c1)Cc1ccccc1[O-] ZINC000731843703 1020156671 /nfs/dbraw/zinc/15/66/71/1020156671.db2.gz RZFGFFVXDGRHIZ-UHFFFAOYSA-N 0 3 324.193 3.926 20 10 DHCDHN C[N@@H+](Cc1ccc(F)c(Br)c1)Cc1ccccc1[O-] ZINC000731843703 1020156672 /nfs/dbraw/zinc/15/66/72/1020156672.db2.gz RZFGFFVXDGRHIZ-UHFFFAOYSA-N 0 3 324.193 3.926 20 10 DHCDHN CCCCN1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000733327929 1020374407 /nfs/dbraw/zinc/37/44/07/1020374407.db2.gz HGSDGFZPZSVCLH-AWEZNQCLSA-N 0 3 310.869 3.790 20 10 DHCDHN Cc1cccc2c1OCC[C@H]2NCc1ccc(N(C)C)cc1C ZINC000766029475 1020490469 /nfs/dbraw/zinc/49/04/69/1020490469.db2.gz LSOUWXNCHYEAJM-LJQANCHMSA-N 0 3 310.441 3.983 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000529636806 1020504797 /nfs/dbraw/zinc/50/47/97/1020504797.db2.gz HPPOIGBNUWBAAT-UHFFFAOYSA-N 0 3 319.351 3.714 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOc1cccnc1 ZINC000734005142 1020544653 /nfs/dbraw/zinc/54/46/53/1020544653.db2.gz XMSBQFUCNMYNQE-UHFFFAOYSA-N 0 3 320.392 3.623 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccccc1[O-] ZINC000858496828 1032923262 /nfs/dbraw/zinc/92/32/62/1032923262.db2.gz VNMFVRIGUULLPV-SFHVURJKSA-N 0 3 312.413 3.616 20 10 DHCDHN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000735323985 1020719315 /nfs/dbraw/zinc/71/93/15/1020719315.db2.gz KCBAUAJVJASIHV-SFHVURJKSA-N 0 3 313.441 3.946 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2c1 ZINC000735666155 1020760765 /nfs/dbraw/zinc/76/07/65/1020760765.db2.gz CKTTUUVPZARGPG-OLZOCXBDSA-N 0 3 317.454 3.880 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@@H](C)[C@H]3C)c2c1 ZINC000735666155 1020760771 /nfs/dbraw/zinc/76/07/71/1020760771.db2.gz CKTTUUVPZARGPG-OLZOCXBDSA-N 0 3 317.454 3.880 20 10 DHCDHN Cc1cc(CN[C@H](C)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000742372949 1021113224 /nfs/dbraw/zinc/11/32/24/1021113224.db2.gz YXMVEEVGZOVOBA-MRXNPFEDSA-N 0 3 322.456 3.987 20 10 DHCDHN C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000742371363 1021113519 /nfs/dbraw/zinc/11/35/19/1021113519.db2.gz SJAOVSXLSLNENN-XYPHTWIQSA-N 0 3 322.880 3.788 20 10 DHCDHN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000743500375 1021306529 /nfs/dbraw/zinc/30/65/29/1021306529.db2.gz ZCRAOBZXPKZSKJ-HNAYVOBHSA-N 0 3 313.441 3.946 20 10 DHCDHN CN(C)c1ccc(/C=C\CNCc2c(C3CCC3)cnn2C)cc1 ZINC000850394352 1021507397 /nfs/dbraw/zinc/50/73/97/1021507397.db2.gz WPTHESOAXMJTTR-WAYWQWQTSA-N 0 3 324.472 3.557 20 10 DHCDHN CC(C)[C@@H](O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395203 1021507441 /nfs/dbraw/zinc/50/74/41/1021507441.db2.gz OEYIQBABMSSASK-WOJBJXKFSA-N 0 3 312.457 3.600 20 10 DHCDHN CC(C)[C@H](O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000850395201 1021507753 /nfs/dbraw/zinc/50/77/53/1021507753.db2.gz OEYIQBABMSSASK-UXHICEINSA-N 0 3 312.457 3.600 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1SCCS1 ZINC000850401596 1021511777 /nfs/dbraw/zinc/51/17/77/1021511777.db2.gz NIOGEKYAWFYBRV-UHFFFAOYSA-N 0 3 317.479 3.955 20 10 DHCDHN CCc1ccc([C@H](C)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489992 1021560406 /nfs/dbraw/zinc/56/04/06/1021560406.db2.gz ZLGRDPYLSLAQPD-GJZGRUSLSA-N 0 3 314.429 3.780 20 10 DHCDHN CCc1ccc([C@@H](C)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850489991 1021560957 /nfs/dbraw/zinc/56/09/57/1021560957.db2.gz ZLGRDPYLSLAQPD-CABCVRRESA-N 0 3 314.429 3.780 20 10 DHCDHN Cc1ccncc1CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850508203 1021567707 /nfs/dbraw/zinc/56/77/07/1021567707.db2.gz SBNQVNWHAYERDE-WFASDCNBSA-N 0 3 300.377 3.615 20 10 DHCDHN CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000850515299 1021572032 /nfs/dbraw/zinc/57/20/32/1021572032.db2.gz VYFVWGNZPLIQFB-ROUUACIJSA-N 0 3 315.413 3.829 20 10 DHCDHN CC[C@H]([NH2+]CC1(CC(=O)NC)CCCCC1)c1ccccc1[O-] ZINC000850554120 1021600126 /nfs/dbraw/zinc/60/01/26/1021600126.db2.gz BVUFNLSDPKESQA-INIZCTEOSA-N 0 3 318.461 3.520 20 10 DHCDHN CC(C)[C@H](O)[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000850557893 1021604290 /nfs/dbraw/zinc/60/42/90/1021604290.db2.gz ZYFGGIDFGQTVTI-UXPWSPDFSA-N 0 3 311.425 3.727 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1nsc3ccccc31)CC2 ZINC000850561337 1021605702 /nfs/dbraw/zinc/60/57/02/1021605702.db2.gz NWLBCGKYIFEDHL-HNNXBMFYSA-N 0 3 310.422 3.822 20 10 DHCDHN CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000379629120 1021609926 /nfs/dbraw/zinc/60/99/26/1021609926.db2.gz ODIWARRZMGOLSB-UHFFFAOYSA-N 0 3 316.420 3.532 20 10 DHCDHN C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1cc(F)ccc1[O-] ZINC000850573302 1021616322 /nfs/dbraw/zinc/61/63/22/1021616322.db2.gz KKKPMUMQZOCJKN-LBPRGKRZSA-N 0 3 323.408 3.694 20 10 DHCDHN CCCN(Cc1c([O-])ccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC001236185066 1021759934 /nfs/dbraw/zinc/75/99/34/1021759934.db2.gz VGNMKWGIPVBFHS-UHFFFAOYSA-N 0 3 317.260 3.663 20 10 DHCDHN COc1ccc(O)c(CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000183376539 1022123560 /nfs/dbraw/zinc/12/35/60/1022123560.db2.gz CBFGTDAJOURJMG-UHFFFAOYSA-N 0 3 301.361 3.705 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OC(F)F ZINC000183401403 1022127722 /nfs/dbraw/zinc/12/77/22/1022127722.db2.gz QGHCGJKKGFGCHO-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183444204 1022148127 /nfs/dbraw/zinc/14/81/27/1022148127.db2.gz PUGIAUFMCRSUNA-RYUDHWBXSA-N 0 3 307.340 3.789 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000183538853 1022176226 /nfs/dbraw/zinc/17/62/26/1022176226.db2.gz SRYWTPXNWGHLID-CABCVRRESA-N 0 3 307.397 3.990 20 10 DHCDHN Cc1ccc(O)c(CN[C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853093714 1022219989 /nfs/dbraw/zinc/21/99/89/1022219989.db2.gz JMORKOAARZYWKQ-QGZVFWFLSA-N 0 3 319.408 3.663 20 10 DHCDHN C[C@@H](N[C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853241381 1022242211 /nfs/dbraw/zinc/24/22/11/1022242211.db2.gz LSTVMINRQYRXDJ-PBHICJAKSA-N 0 3 319.408 3.916 20 10 DHCDHN COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1F ZINC000185333387 1022477603 /nfs/dbraw/zinc/47/76/03/1022477603.db2.gz NPAZEYWKCDYJJP-NSHDSACASA-N 0 3 307.340 3.572 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000185457402 1022492279 /nfs/dbraw/zinc/49/22/79/1022492279.db2.gz PUPOSXCHYZPWTE-ZBFHGGJFSA-N 0 3 314.404 3.851 20 10 DHCDHN Cc1cc([O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1Br ZINC001237678288 1022530918 /nfs/dbraw/zinc/53/09/18/1022530918.db2.gz XXXWNIPHGOISAH-RYUDHWBXSA-N 0 3 310.235 3.695 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc2ccccc2c1[O-] ZINC000273303146 1022535083 /nfs/dbraw/zinc/53/50/83/1022535083.db2.gz CDBBVWRHUOEGFW-ZOCIIQOWSA-N 0 3 310.441 3.823 20 10 DHCDHN Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179895733 1022569264 /nfs/dbraw/zinc/56/92/64/1022569264.db2.gz FZVHVSNFQJAJFL-MAUKXSAKSA-N 0 3 324.424 3.547 20 10 DHCDHN O=C(C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000180201191 1022661831 /nfs/dbraw/zinc/66/18/31/1022661831.db2.gz KKKJOLLKUUDUIX-KRWDZBQOSA-N 0 3 313.372 3.769 20 10 DHCDHN O=C(C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000180201191 1022661836 /nfs/dbraw/zinc/66/18/36/1022661836.db2.gz KKKJOLLKUUDUIX-KRWDZBQOSA-N 0 3 313.372 3.769 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000068973646 1022822989 /nfs/dbraw/zinc/82/29/89/1022822989.db2.gz IVOLNMIVJFBFOE-GOSISDBHSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000068973646 1022823009 /nfs/dbraw/zinc/82/30/09/1022823009.db2.gz IVOLNMIVJFBFOE-GOSISDBHSA-N 0 3 321.367 3.616 20 10 DHCDHN CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180810727 1022839028 /nfs/dbraw/zinc/83/90/28/1022839028.db2.gz ZORYLUQDUHXDFR-UHFFFAOYSA-N 0 3 311.397 3.523 20 10 DHCDHN CCN(Cc1cnc2ccc(C)cn12)Cc1ccc(N(C)C)cc1 ZINC000768131869 1022897789 /nfs/dbraw/zinc/89/77/89/1022897789.db2.gz AOUCLOPTOQFLDQ-UHFFFAOYSA-N 0 3 322.456 3.731 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000876550162 1033089847 /nfs/dbraw/zinc/08/98/47/1033089847.db2.gz RGDPQMWAHSGSSL-UHFFFAOYSA-N 0 3 324.424 3.551 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc2c(c1)OCCO2 ZINC000296048608 1023001171 /nfs/dbraw/zinc/00/11/71/1023001171.db2.gz RATVLKSJZNIMBU-IUODEOHRSA-N 0 3 311.381 3.502 20 10 DHCDHN CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295999104 1023002011 /nfs/dbraw/zinc/00/20/11/1023002011.db2.gz ODMZARVBORXSDX-SJCJKPOMSA-N 0 3 310.397 3.689 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c([O-])c1 ZINC000769035388 1023073317 /nfs/dbraw/zinc/07/33/17/1023073317.db2.gz HJLBXYWGJODZDH-KWOWKCNFSA-N 0 3 301.430 3.801 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c([O-])c1 ZINC000769035388 1023073326 /nfs/dbraw/zinc/07/33/26/1023073326.db2.gz HJLBXYWGJODZDH-KWOWKCNFSA-N 0 3 301.430 3.801 20 10 DHCDHN CN(C)c1ccc(CN2CCC(c3ccccn3)CC2)cc1F ZINC000769105334 1023084165 /nfs/dbraw/zinc/08/41/65/1023084165.db2.gz OUFBXTJWDBGDBU-UHFFFAOYSA-N 0 3 313.420 3.666 20 10 DHCDHN CN(C)c1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1F ZINC000769106728 1023084199 /nfs/dbraw/zinc/08/41/99/1023084199.db2.gz WOTQPJILHBKRTH-SFHVURJKSA-N 0 3 314.404 3.934 20 10 DHCDHN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759835379 1023097707 /nfs/dbraw/zinc/09/77/07/1023097707.db2.gz CVHIBWFSZZJCTL-HZPDHXFCSA-N 0 3 311.425 3.964 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000769337500 1023128802 /nfs/dbraw/zinc/12/88/02/1023128802.db2.gz JNRVWWZMBAUOEI-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000769337500 1023128806 /nfs/dbraw/zinc/12/88/06/1023128806.db2.gz JNRVWWZMBAUOEI-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000769383793 1023138308 /nfs/dbraw/zinc/13/83/08/1023138308.db2.gz JQBYNNSWCMMARI-ZDUSSCGKSA-N 0 3 301.386 3.690 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000769383793 1023138311 /nfs/dbraw/zinc/13/83/11/1023138311.db2.gz JQBYNNSWCMMARI-ZDUSSCGKSA-N 0 3 301.386 3.690 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000323450365 1023143674 /nfs/dbraw/zinc/14/36/74/1023143674.db2.gz AOYCPECZKKALBV-HNNXBMFYSA-N 0 3 308.429 3.678 20 10 DHCDHN CCC[N@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769471638 1023163190 /nfs/dbraw/zinc/16/31/90/1023163190.db2.gz WXBWJRMFSIDTEK-CGTJXYLNSA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769471638 1023163193 /nfs/dbraw/zinc/16/31/93/1023163193.db2.gz WXBWJRMFSIDTEK-CGTJXYLNSA-N 0 3 303.446 3.726 20 10 DHCDHN C[C@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000092969796 1023358968 /nfs/dbraw/zinc/35/89/68/1023358968.db2.gz GNRMOWFARCAIAO-HNNXBMFYSA-N 0 3 311.425 3.652 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000771384967 1023430727 /nfs/dbraw/zinc/43/07/27/1023430727.db2.gz RJCABOIAQAVGLZ-OAHLLOKOSA-N 0 3 309.457 3.932 20 10 DHCDHN CN(C)c1ccc(CN(C)Cc2cnc3ccccc3c2)cc1 ZINC000771935374 1023489804 /nfs/dbraw/zinc/48/98/04/1023489804.db2.gz PYDFSNSNBBPYKH-UHFFFAOYSA-N 0 3 305.425 3.933 20 10 DHCDHN CN(C)c1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1 ZINC000771935122 1023489990 /nfs/dbraw/zinc/48/99/90/1023489990.db2.gz IYCGHPQUDXWQCD-UHFFFAOYSA-N 0 3 323.484 3.985 20 10 DHCDHN Cc1cccc(O)c1CN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000876778920 1033141943 /nfs/dbraw/zinc/14/19/43/1033141943.db2.gz RZBNAXDDRIIHML-SUMWQHHRSA-N 0 3 303.427 3.724 20 10 DHCDHN C[C@@H](NCc1scnc1C1CC1)c1ccc(N(C)C)cc1 ZINC000785512273 1023585997 /nfs/dbraw/zinc/58/59/97/1023585997.db2.gz RUGYCLMQVGKXBG-GFCCVEGCSA-N 0 3 301.459 3.937 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876805390 1033147303 /nfs/dbraw/zinc/14/73/03/1033147303.db2.gz ZQPSIWDTOJEIQX-WMLDXEAASA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876805390 1033147315 /nfs/dbraw/zinc/14/73/15/1033147315.db2.gz ZQPSIWDTOJEIQX-WMLDXEAASA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1c([C@H](C)NCc2ccc3c(c2)CCO3)cnn1C(C)(C)C ZINC000786902640 1023735361 /nfs/dbraw/zinc/73/53/61/1023735361.db2.gz GLPPJULHVJEHRI-ZDUSSCGKSA-N 0 3 313.445 3.732 20 10 DHCDHN Cc1c([C@@H](C)NCc2ccc(N(C)C)cc2C)cnn1C(C)C ZINC000786909906 1023737270 /nfs/dbraw/zinc/73/72/70/1023737270.db2.gz CFFUWCHHARKZPJ-OAHLLOKOSA-N 0 3 314.477 3.998 20 10 DHCDHN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000787405911 1023793342 /nfs/dbraw/zinc/79/33/42/1023793342.db2.gz HEMGXUYLZIPFBF-UVTDQMKNSA-N 0 3 312.369 3.836 20 10 DHCDHN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccccc1[O-] ZINC000787405911 1023793347 /nfs/dbraw/zinc/79/33/47/1023793347.db2.gz HEMGXUYLZIPFBF-UVTDQMKNSA-N 0 3 312.369 3.836 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000788600388 1023911125 /nfs/dbraw/zinc/91/11/25/1023911125.db2.gz CKOVLRCEBYMJEH-FUHWJXTLSA-N 0 3 313.441 3.826 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c([O-])c1 ZINC000788693332 1023921340 /nfs/dbraw/zinc/92/13/40/1023921340.db2.gz SFFNHEXSVAERGS-HOTGVXAUSA-N 0 3 305.462 3.848 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOC(F)(F)F ZINC000788966204 1023953559 /nfs/dbraw/zinc/95/35/59/1023953559.db2.gz MVCKBACHYAUNIB-UHFFFAOYSA-N 0 3 311.303 3.685 20 10 DHCDHN c1cc(CNCc2ccc(OCC3CC3)cc2)cc2c1OCC2 ZINC000790955540 1024404340 /nfs/dbraw/zinc/40/43/40/1024404340.db2.gz SKSSNHMDLLUHPA-UHFFFAOYSA-N 0 3 309.409 3.700 20 10 DHCDHN Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000877032320 1033213497 /nfs/dbraw/zinc/21/34/97/1033213497.db2.gz GZOZXJLFOLGKNG-UHFFFAOYSA-N 0 3 315.388 3.635 20 10 DHCDHN COc1ccc2[nH]cc(CC[NH2+]Cc3c(C)cccc3[O-])c2c1 ZINC000877037639 1033214979 /nfs/dbraw/zinc/21/49/79/1033214979.db2.gz UEERWFXNWMDCCL-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H]2CCCc3occc32)c([O-])c1 ZINC000101591829 1024516687 /nfs/dbraw/zinc/51/66/87/1024516687.db2.gz CEJCBWRGNIRFRZ-MRXNPFEDSA-N 0 3 301.386 3.941 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCCc2ccccc2)c1[O-] ZINC000228668966 1024604896 /nfs/dbraw/zinc/60/48/96/1024604896.db2.gz WNMOSXZNUMLJEX-UHFFFAOYSA-N 0 3 305.805 3.777 20 10 DHCDHN COC1(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCCC1 ZINC000792161803 1024639354 /nfs/dbraw/zinc/63/93/54/1024639354.db2.gz JJPGBNQDRHNAMK-UHFFFAOYSA-N 0 3 315.413 3.947 20 10 DHCDHN COC1(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCCC1 ZINC000792161803 1024639362 /nfs/dbraw/zinc/63/93/62/1024639362.db2.gz JJPGBNQDRHNAMK-UHFFFAOYSA-N 0 3 315.413 3.947 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCF)C2)c1[O-] ZINC000689885873 1024698381 /nfs/dbraw/zinc/69/83/81/1024698381.db2.gz LHWGULRSGVPNGH-NSHDSACASA-N 0 3 301.789 3.626 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCF)C2)c1[O-] ZINC000689885873 1024698386 /nfs/dbraw/zinc/69/83/86/1024698386.db2.gz LHWGULRSGVPNGH-NSHDSACASA-N 0 3 301.789 3.626 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000877123308 1033247265 /nfs/dbraw/zinc/24/72/65/1033247265.db2.gz SHKWWENSEPLBPP-AWEZNQCLSA-N 0 3 323.396 3.644 20 10 DHCDHN COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000793231441 1024944937 /nfs/dbraw/zinc/94/49/37/1024944937.db2.gz DSOHGQQZIOXZTG-GOSISDBHSA-N 0 3 317.404 3.659 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)Cc2ccccc2SC)c([O-])c1 ZINC000793387459 1025029453 /nfs/dbraw/zinc/02/94/53/1025029453.db2.gz FBSCDDRBSKCPKV-CYBMUJFWSA-N 0 3 317.454 3.844 20 10 DHCDHN CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(C)cc1[O-] ZINC000279932852 1025512449 /nfs/dbraw/zinc/51/24/49/1025512449.db2.gz ATDAEOZBTIOPHZ-YOEHRIQHSA-N 0 3 305.443 3.711 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)c([O-])c1 ZINC000886363975 1025602532 /nfs/dbraw/zinc/60/25/32/1025602532.db2.gz KZXWTRPCBVCLDB-QGZVFWFLSA-N 0 3 301.361 3.707 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805749234 1025658657 /nfs/dbraw/zinc/65/86/57/1025658657.db2.gz WWTGLVQNWVSVPO-RDJZCZTQSA-N 0 3 319.832 3.690 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c1[O-] ZINC000808692937 1026348951 /nfs/dbraw/zinc/34/89/51/1026348951.db2.gz XBUPNBJCXASGDS-MLGOLLRUSA-N 0 3 311.853 3.946 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1[O-] ZINC000808675252 1026353093 /nfs/dbraw/zinc/35/30/93/1026353093.db2.gz ARHUERLQMUXPOR-LBPRGKRZSA-N 0 3 319.836 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)c1[O-] ZINC000808675753 1026353188 /nfs/dbraw/zinc/35/31/88/1026353188.db2.gz RDVGSYNQEAWBBP-UONOGXRCSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000808707241 1026358149 /nfs/dbraw/zinc/35/81/49/1026358149.db2.gz IVGJPWGCBFQPED-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000808711007 1026360937 /nfs/dbraw/zinc/36/09/37/1026360937.db2.gz ZSAWVNWXQUPVNW-OUENDJJVSA-N 0 3 321.848 3.962 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000808695958 1026372339 /nfs/dbraw/zinc/37/23/39/1026372339.db2.gz MIHSHKHVWYSEQF-CJNGLKHVSA-N 0 3 319.832 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)c1[O-] ZINC000808697676 1026372966 /nfs/dbraw/zinc/37/29/66/1026372966.db2.gz QWTHPIDUCKEFKI-QMTHXVAHSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1[O-] ZINC000808697195 1026373998 /nfs/dbraw/zinc/37/39/98/1026373998.db2.gz YWCCDVVSNKMISI-ACJLOTCBSA-N 0 3 319.832 3.912 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1[O-] ZINC000808701422 1026374919 /nfs/dbraw/zinc/37/49/19/1026374919.db2.gz XIZNARYKZUTDOS-HIFRSBDPSA-N 0 3 319.832 3.781 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1[O-] ZINC000808702486 1026376099 /nfs/dbraw/zinc/37/60/99/1026376099.db2.gz XOCALRACENXIMB-MBNYWOFBSA-N 0 3 308.853 3.630 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNc2ccccn2)c1[O-] ZINC000808701052 1026376411 /nfs/dbraw/zinc/37/64/11/1026376411.db2.gz ORPYWPLJLODGLT-ZDUSSCGKSA-N 0 3 319.836 3.902 20 10 DHCDHN COc1ccc(Cl)cc1CNCc1cc(C)cc(OC)c1O ZINC000894206794 1026377831 /nfs/dbraw/zinc/37/78/31/1026377831.db2.gz JURLQPDRGWIDPH-UHFFFAOYSA-N 0 3 321.804 3.661 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(C)cc1[O-] ZINC000280028794 1026575326 /nfs/dbraw/zinc/57/53/26/1026575326.db2.gz HZDTVLHWRJIUBW-HOTGVXAUSA-N 0 3 302.418 3.637 20 10 DHCDHN Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809701567 1026589509 /nfs/dbraw/zinc/58/95/09/1026589509.db2.gz GVZJUTRCSQZNII-ACJLOTCBSA-N 0 3 319.832 3.874 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000809701178 1026590195 /nfs/dbraw/zinc/59/01/95/1026590195.db2.gz VESDYJMAEZVSNW-CJNGLKHVSA-N 0 3 311.853 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000809701178 1026590202 /nfs/dbraw/zinc/59/02/02/1026590202.db2.gz VESDYJMAEZVSNW-CJNGLKHVSA-N 0 3 311.853 3.870 20 10 DHCDHN Cc1cccc(CCC[NH2+]Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000809688815 1026596072 /nfs/dbraw/zinc/59/60/72/1026596072.db2.gz FRLKFTBGNYTMCN-UHFFFAOYSA-N 0 3 304.821 3.780 20 10 DHCDHN C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765522 1026621406 /nfs/dbraw/zinc/62/14/06/1026621406.db2.gz NSEGANLEUGTAJA-UZLBHIALSA-N 0 3 324.468 3.831 20 10 DHCDHN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765522 1026621411 /nfs/dbraw/zinc/62/14/11/1026621411.db2.gz NSEGANLEUGTAJA-UZLBHIALSA-N 0 3 324.468 3.831 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(C)cc1[O-] ZINC000280249572 1026623772 /nfs/dbraw/zinc/62/37/72/1026623772.db2.gz WNNKDOVTWFRQNV-CWLKWCNXSA-N 0 3 301.430 3.699 20 10 DHCDHN COc1cccc(O)c1CN1Cc2ccccc2OC(C)(C)C1 ZINC000809790121 1026628017 /nfs/dbraw/zinc/62/80/17/1026628017.db2.gz ZMUQIMKMBGLLMG-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000809790121 1026628019 /nfs/dbraw/zinc/62/80/19/1026628019.db2.gz ZMUQIMKMBGLLMG-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000809790121 1026628025 /nfs/dbraw/zinc/62/80/25/1026628025.db2.gz ZMUQIMKMBGLLMG-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)CCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214303 1026707677 /nfs/dbraw/zinc/70/76/77/1026707677.db2.gz UXSDZBLWOXMJOT-RISCZKNCSA-N 0 3 318.383 3.792 20 10 DHCDHN CCCN(CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000810261839 1026720622 /nfs/dbraw/zinc/72/06/22/1026720622.db2.gz KSCKOWYKBGVYQH-UMVBOHGHSA-N 0 3 308.441 3.790 20 10 DHCDHN CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000810245321 1026728839 /nfs/dbraw/zinc/72/88/39/1026728839.db2.gz YXUIZZPSDBOWNU-GUTXKFCHSA-N 0 3 308.441 3.790 20 10 DHCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000810257219 1026730713 /nfs/dbraw/zinc/73/07/13/1026730713.db2.gz NMAAIOGYIREYSN-VWYCJHECSA-N 0 3 316.239 3.537 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000931554140 1027169506 /nfs/dbraw/zinc/16/95/06/1027169506.db2.gz LVEIJDHLYBQQKQ-GYSYKLTISA-N 0 3 303.324 3.543 20 10 DHCDHN Cc1c([C@H]2CCC[N@@H+]2Cc2c([O-])ccc3ccccc32)cnn1C ZINC000362431358 1027202288 /nfs/dbraw/zinc/20/22/88/1027202288.db2.gz HOVSDIUMVNGTIW-LJQANCHMSA-N 0 3 321.424 3.924 20 10 DHCDHN Cc1c([C@H]2CCC[N@H+]2Cc2c([O-])ccc3ccccc32)cnn1C ZINC000362431358 1027202291 /nfs/dbraw/zinc/20/22/91/1027202291.db2.gz HOVSDIUMVNGTIW-LJQANCHMSA-N 0 3 321.424 3.924 20 10 DHCDHN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296633480 1027691008 /nfs/dbraw/zinc/69/10/08/1027691008.db2.gz BOENPXLERXLWAT-KGLIPLIRSA-N 0 3 322.449 3.736 20 10 DHCDHN Cc1ccoc1CN(C)Cc1cc(Br)cc(C)c1O ZINC000814175357 1027909898 /nfs/dbraw/zinc/90/98/98/1027909898.db2.gz SYEKWIOQWBQFQH-UHFFFAOYSA-N 0 3 324.218 3.997 20 10 DHCDHN COc1ccncc1CNCc1cc(-c2ccccc2)ccc1O ZINC000814298891 1028000673 /nfs/dbraw/zinc/00/06/73/1028000673.db2.gz WQKVLSKAKCUTHB-UHFFFAOYSA-N 0 3 320.392 3.753 20 10 DHCDHN COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C2CC2)cn1 ZINC000528042618 1028058858 /nfs/dbraw/zinc/05/88/58/1028058858.db2.gz FZWGTXWHTIPCED-VOJFVSQTSA-N 0 3 316.376 3.737 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)c1ccc(C)cc1[O-] ZINC000366452987 1028080119 /nfs/dbraw/zinc/08/01/19/1028080119.db2.gz SESDQJHOQLTSHM-WBVHZDCISA-N 0 3 313.445 3.824 20 10 DHCDHN Cc1ccc([C@@H](C)NC2(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000779081620 1028193575 /nfs/dbraw/zinc/19/35/75/1028193575.db2.gz BNGQQFDQJSRNCZ-CQSZACIVSA-N 0 3 310.397 3.523 20 10 DHCDHN COc1cc(CN(C)Cc2ccc(F)c(F)c2)c(O)cc1C ZINC000159734573 1028196861 /nfs/dbraw/zinc/19/68/61/1028196861.db2.gz FAEOSICVNIYPGI-UHFFFAOYSA-N 0 3 307.340 3.619 20 10 DHCDHN CC[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccccc1[O-] ZINC000779083084 1028210990 /nfs/dbraw/zinc/21/09/90/1028210990.db2.gz URQGPPFTDWLHHH-MRXNPFEDSA-N 0 3 310.397 3.604 20 10 DHCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC000368523631 1028365217 /nfs/dbraw/zinc/36/52/17/1028365217.db2.gz VNCFYXSMJJGQGT-RHSMWYFYSA-N 0 3 312.413 3.612 20 10 DHCDHN C[C@@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815584687 1028556495 /nfs/dbraw/zinc/55/64/95/1028556495.db2.gz MJUGKFITHLISPR-QFBILLFUSA-N 0 3 313.441 3.674 20 10 DHCDHN CC(C)(CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815596710 1028561555 /nfs/dbraw/zinc/56/15/55/1028561555.db2.gz CAFXFWIOIUSEKZ-GOSISDBHSA-N 0 3 313.441 3.674 20 10 DHCDHN C[C@H](O)C[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815614827 1028568754 /nfs/dbraw/zinc/56/87/54/1028568754.db2.gz BRYYLGOHWJLTQA-TXPKVOOTSA-N 0 3 313.441 3.815 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000815648522 1028592444 /nfs/dbraw/zinc/59/24/44/1028592444.db2.gz PLNXUDDVRPFVCK-INWMFGNUSA-N 0 3 321.436 3.858 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@H](c2cccs2)C1 ZINC000372518972 1028866356 /nfs/dbraw/zinc/86/63/56/1028866356.db2.gz XOUAPYURVFTGEM-ZBFHGGJFSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000372518972 1028866369 /nfs/dbraw/zinc/86/63/69/1028866369.db2.gz XOUAPYURVFTGEM-ZBFHGGJFSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000372518972 1028866382 /nfs/dbraw/zinc/86/63/82/1028866382.db2.gz XOUAPYURVFTGEM-ZBFHGGJFSA-N 0 3 303.427 3.978 20 10 DHCDHN [O-]c1c(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499526 1028908244 /nfs/dbraw/zinc/90/82/44/1028908244.db2.gz SYDOHALJHQYXAD-LJQANCHMSA-N 0 3 324.468 3.996 20 10 DHCDHN [O-]c1c(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499526 1028908259 /nfs/dbraw/zinc/90/82/59/1028908259.db2.gz SYDOHALJHQYXAD-LJQANCHMSA-N 0 3 324.468 3.996 20 10 DHCDHN C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548368 1028929758 /nfs/dbraw/zinc/92/97/58/1028929758.db2.gz FMFNZQYMAMSZLJ-HZPDHXFCSA-N 0 3 312.457 3.898 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000779161971 1028933692 /nfs/dbraw/zinc/93/36/92/1028933692.db2.gz HZBANKXLSOKEKL-UHFFFAOYSA-N 0 3 315.438 3.518 20 10 DHCDHN COC[C@H](NCc1cc(OC)ccc1O)c1cccc(Cl)c1 ZINC000290206238 1029946464 /nfs/dbraw/zinc/94/64/64/1029946464.db2.gz QBNCHAXKHQWFSN-INIZCTEOSA-N 0 3 321.804 3.532 20 10 DHCDHN Cc1ccc(O)c(CNCc2ccc(OC(F)F)cc2F)c1 ZINC000865639864 1029956428 /nfs/dbraw/zinc/95/64/28/1029956428.db2.gz APQMMQYLFTXXPL-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)F)c1[O-] ZINC000866409526 1030285804 /nfs/dbraw/zinc/28/58/04/1030285804.db2.gz MRHMHNHKTAGKCU-QMMMGPOBSA-N 0 3 320.202 3.562 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccc(C)cc1[O-] ZINC000866426187 1030292761 /nfs/dbraw/zinc/29/27/61/1030292761.db2.gz UVHKBXQCAWTADB-GDBMZVCRSA-N 0 3 307.434 3.531 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c([O-])c1 ZINC000866484994 1030320844 /nfs/dbraw/zinc/32/08/44/1030320844.db2.gz BZEJPLNCNGFHRQ-RYUDHWBXSA-N 0 3 312.369 3.959 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000866511652 1030337714 /nfs/dbraw/zinc/33/77/14/1030337714.db2.gz DWZWHCUOXIMNKG-IEZWGBDMSA-N 0 3 303.446 3.947 20 10 DHCDHN Cc1cc(CNCc2ccc(N3CCSCC3)cc2)cs1 ZINC000823666459 1030359019 /nfs/dbraw/zinc/35/90/19/1030359019.db2.gz KZWJKRKOFXJWQA-UHFFFAOYSA-N 0 3 318.511 3.900 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCSCCC(F)(F)F)CC2 ZINC000866543474 1030364878 /nfs/dbraw/zinc/36/48/78/1030364878.db2.gz WWSINXMRVPTNGR-NSHDSACASA-N 0 3 305.365 3.655 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000291153355 1030367645 /nfs/dbraw/zinc/36/76/45/1030367645.db2.gz IMPJDBIOYDGLCJ-HUUCEWRRSA-N 0 3 314.404 3.708 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2ccc(Br)cn2)c(O)c1 ZINC000866568770 1030381251 /nfs/dbraw/zinc/38/12/51/1030381251.db2.gz CMPBNPNKNPDJAG-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000824522637 1030574488 /nfs/dbraw/zinc/57/44/88/1030574488.db2.gz ZKKOSUAJFJMCJX-UHFFFAOYSA-N 0 3 323.864 3.871 20 10 DHCDHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636113 1030597298 /nfs/dbraw/zinc/59/72/98/1030597298.db2.gz LVXGCQAUGUCLAG-MJGOQNOKSA-N 0 3 311.425 3.652 20 10 DHCDHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636113 1030597310 /nfs/dbraw/zinc/59/73/10/1030597310.db2.gz LVXGCQAUGUCLAG-MJGOQNOKSA-N 0 3 311.425 3.652 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000824714266 1030619293 /nfs/dbraw/zinc/61/92/93/1030619293.db2.gz AVMXGGMDPNFONK-DGCLKSJQSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000824714266 1030619301 /nfs/dbraw/zinc/61/93/01/1030619301.db2.gz AVMXGGMDPNFONK-DGCLKSJQSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000824971739 1030688489 /nfs/dbraw/zinc/68/84/89/1030688489.db2.gz XSNNVSRSQGGAAJ-AWEZNQCLSA-N 0 3 318.244 3.855 20 10 DHCDHN CN1CCC[C@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000825112407 1030727527 /nfs/dbraw/zinc/72/75/27/1030727527.db2.gz SYZHVVXUQOXXCU-SFHVURJKSA-N 0 3 308.425 3.682 20 10 DHCDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1Cl ZINC000825144551 1030735813 /nfs/dbraw/zinc/73/58/13/1030735813.db2.gz ONKZVLCLYXXSRN-UHFFFAOYSA-N 0 3 322.811 3.844 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926905897 1030981766 /nfs/dbraw/zinc/98/17/66/1030981766.db2.gz QZVFRUXXOWDAEP-ZLDLUXBVSA-N 0 3 317.351 3.933 20 10 DHCDHN CC[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000927069811 1031070862 /nfs/dbraw/zinc/07/08/62/1031070862.db2.gz NEPACDTWBWZSPP-VDZJLULYSA-N 0 3 303.446 3.947 20 10 DHCDHN CC[C@H](NCc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1 ZINC000927099625 1031088817 /nfs/dbraw/zinc/08/88/17/1031088817.db2.gz QXJYHYLVEZETNK-SFHVURJKSA-N 0 3 312.461 3.604 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(C)c1OC ZINC000927123812 1031106240 /nfs/dbraw/zinc/10/62/40/1031106240.db2.gz BTFQWEUPIFHIMG-GFCCVEGCSA-N 0 3 319.376 3.708 20 10 DHCDHN CCc1onc(C)c1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000927137658 1031112587 /nfs/dbraw/zinc/11/25/87/1031112587.db2.gz AGOWSQAXMXQABZ-RNCFNFMXSA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1onc(C)c1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000927137658 1031112595 /nfs/dbraw/zinc/11/25/95/1031112595.db2.gz AGOWSQAXMXQABZ-RNCFNFMXSA-N 0 3 304.365 3.728 20 10 DHCDHN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c(C)nn1 ZINC000929293928 1031486239 /nfs/dbraw/zinc/48/62/39/1031486239.db2.gz ABTOQATUFCZAII-UHFFFAOYSA-N 0 3 312.461 3.570 20 10 DHCDHN CC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1[O-] ZINC000872110794 1031503024 /nfs/dbraw/zinc/50/30/24/1031503024.db2.gz QLLAMWSEQSERJO-JTQLQIEISA-N 0 3 313.266 3.605 20 10 DHCDHN Cn1ccnc1CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000293916188 1031697446 /nfs/dbraw/zinc/69/74/46/1031697446.db2.gz XEKVJISVRSEYCE-SFHVURJKSA-N 0 3 321.424 3.589 20 10 DHCDHN CC(C)c1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000361065975 1031706655 /nfs/dbraw/zinc/70/66/55/1031706655.db2.gz IXVUMNPZGJVZTG-MRXNPFEDSA-N 0 3 317.408 3.516 20 10 DHCDHN CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000361065975 1031706664 /nfs/dbraw/zinc/70/66/64/1031706664.db2.gz IXVUMNPZGJVZTG-MRXNPFEDSA-N 0 3 317.408 3.516 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C3CC3)s2)c1 ZINC000845973430 1031788010 /nfs/dbraw/zinc/78/80/10/1031788010.db2.gz ZCGIEHVPTADMMA-SNVBAGLBSA-N 0 3 304.415 3.586 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cnc(C3CC3)s2)c1 ZINC000845973429 1031788205 /nfs/dbraw/zinc/78/82/05/1031788205.db2.gz ZCGIEHVPTADMMA-JTQLQIEISA-N 0 3 304.415 3.586 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCSC(C)(C)C2)c1[O-] ZINC000897795989 1031838086 /nfs/dbraw/zinc/83/80/86/1031838086.db2.gz VLMACKQGWRSHRS-LBPRGKRZSA-N 0 3 315.866 3.818 20 10 DHCDHN COc1cccc([C@@H](C)NCc2ccccc2OC(F)F)c1O ZINC000846135786 1031900572 /nfs/dbraw/zinc/90/05/72/1031900572.db2.gz HFBWWPFTVUMLAB-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccc([C@@H]3C[C@@H]3C)o2)c1O ZINC000846141739 1031902641 /nfs/dbraw/zinc/90/26/41/1031902641.db2.gz RZTHQVMUXOIAJL-SLEUVZQESA-N 0 3 301.386 3.968 20 10 DHCDHN CCC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccn1 ZINC000846142808 1031903905 /nfs/dbraw/zinc/90/39/05/1031903905.db2.gz BHDLCULQAWRMER-BBRMVZONSA-N 0 3 300.402 3.988 20 10 DHCDHN CCCOc1ccc(CNCc2ccc(CCO)cc2)cc1C ZINC000898169574 1031969875 /nfs/dbraw/zinc/96/98/75/1031969875.db2.gz HENJACLCQAKXCX-UHFFFAOYSA-N 0 3 313.441 3.608 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1[O-] ZINC000898322952 1032023033 /nfs/dbraw/zinc/02/30/33/1032023033.db2.gz VFDWWKRLOFYYCZ-MRXNPFEDSA-N 0 3 318.804 3.690 20 10 DHCDHN COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877487860 1033320539 /nfs/dbraw/zinc/32/05/39/1033320539.db2.gz CBQHOASPZXBBOJ-LJQANCHMSA-N 0 3 313.441 3.828 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000877515756 1033330563 /nfs/dbraw/zinc/33/05/63/1033330563.db2.gz OGWMUJVUEZGBIF-INIZCTEOSA-N 0 3 315.413 3.959 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2c(C)cccc2OC)c1 ZINC000877533549 1033340194 /nfs/dbraw/zinc/34/01/94/1033340194.db2.gz PUJWPYSQQFDGMS-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c([O-])c1 ZINC000877548310 1033350528 /nfs/dbraw/zinc/35/05/28/1033350528.db2.gz VPHAMLLQUQBUCP-PXAZEXFGSA-N 0 3 303.427 3.554 20 10 DHCDHN Cc1ccc(CN2CC3(CCOCC3)[C@H]2c2ccco2)c(O)c1 ZINC000877634462 1033391722 /nfs/dbraw/zinc/39/17/22/1033391722.db2.gz QAFHQMJOILXROK-GOSISDBHSA-N 0 3 313.397 3.647 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000877662709 1033403425 /nfs/dbraw/zinc/40/34/25/1033403425.db2.gz WJYCIRXKXARKIE-WBVHZDCISA-N 0 3 321.779 3.805 20 10 DHCDHN COCc1ccccc1/C=C(/C)CN1Cc2cccc(O)c2C1 ZINC000877703283 1033417797 /nfs/dbraw/zinc/41/77/97/1033417797.db2.gz ZYWBPMGEVAPFLK-GDNBJRDFSA-N 0 3 309.409 3.958 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(OC)c1OC ZINC000877708711 1033421656 /nfs/dbraw/zinc/42/16/56/1033421656.db2.gz UKFGSTLBGLUPIW-HNNXBMFYSA-N 0 3 319.376 3.789 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(-c2ccnn2C)c1 ZINC000877755981 1033435194 /nfs/dbraw/zinc/43/51/94/1033435194.db2.gz WIZVHYKNIKNLII-OAHLLOKOSA-N 0 3 321.424 3.952 20 10 DHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccnc(F)c1C ZINC000862211572 1033780363 /nfs/dbraw/zinc/78/03/63/1033780363.db2.gz KBTNXVQOAYCAJR-UHFFFAOYSA-N 0 3 301.409 3.617 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c(C)c1OC ZINC000927126332 1033965556 /nfs/dbraw/zinc/96/55/56/1033965556.db2.gz WXIIOHLCRTYHBU-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccccc1[O-] ZINC000879649627 1034071342 /nfs/dbraw/zinc/07/13/42/1034071342.db2.gz ZUANFJGSHKGELZ-HWPZZCPQSA-N 0 3 309.768 3.569 20 10 DHCDHN C[C@H](NCc1cc2c(cc1Cl)OCCO2)c1ccccc1O ZINC000879650543 1034073426 /nfs/dbraw/zinc/07/34/26/1034073426.db2.gz GSGWFYRSFYBIBM-NSHDSACASA-N 0 3 319.788 3.668 20 10 DHCDHN Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651791 1034073610 /nfs/dbraw/zinc/07/36/10/1034073610.db2.gz KTGGKXBQVIAUDF-LSDHHAIUSA-N 0 3 312.413 3.687 20 10 DHCDHN CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652340 1034075971 /nfs/dbraw/zinc/07/59/71/1034075971.db2.gz YFNVFUYQWBYGTO-AWEZNQCLSA-N 0 3 312.413 3.552 20 10 DHCDHN CC[C@@H](NCc1ccc(OC)c(O)c1)c1ccc(N(C)C)cc1 ZINC000178409828 1034234918 /nfs/dbraw/zinc/23/49/18/1034234918.db2.gz DZZQXFSRYWKIKH-QGZVFWFLSA-N 0 3 314.429 3.708 20 10 DHCDHN COc1ccc(O)c(CN(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000179563520 1034315980 /nfs/dbraw/zinc/31/59/80/1034315980.db2.gz MZWMFTOTMNFLSK-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000183371965 1034379657 /nfs/dbraw/zinc/37/96/57/1034379657.db2.gz YZTKQWFAZJZKGB-HOCLYGCPSA-N 0 3 316.470 3.941 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000183439854 1034384675 /nfs/dbraw/zinc/38/46/75/1034384675.db2.gz XQJBBTIHEBQUTL-BBRMVZONSA-N 0 3 313.397 3.965 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000183450432 1034387766 /nfs/dbraw/zinc/38/77/66/1034387766.db2.gz GKTQJCCRQNIRTK-NSHDSACASA-N 0 3 319.788 3.668 20 10 DHCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCCC2)o1 ZINC000183480021 1034391299 /nfs/dbraw/zinc/39/12/99/1034391299.db2.gz OEDIXOUXBJMODD-NVXWUHKLSA-N 0 3 314.429 3.781 20 10 DHCDHN COC(=O)CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183597710 1034402502 /nfs/dbraw/zinc/40/25/02/1034402502.db2.gz SJCWTXLBFZQNTB-PBHICJAKSA-N 0 3 313.397 3.737 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccc(C)cc1[O-] ZINC000794801765 1034472858 /nfs/dbraw/zinc/47/28/58/1034472858.db2.gz KZWKEFBJAYDQAD-AEFFLSMTSA-N 0 3 311.429 3.917 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c([O-])c1 ZINC000184920288 1034513536 /nfs/dbraw/zinc/51/35/36/1034513536.db2.gz SFCJUUGSBWDTQL-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN COc1ncccc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184985328 1034517933 /nfs/dbraw/zinc/51/79/33/1034517933.db2.gz UEKNAUSYKRVTHG-CYBMUJFWSA-N 0 3 312.413 3.525 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794814535 1034519815 /nfs/dbraw/zinc/51/98/15/1034519815.db2.gz LSMCSPIFRFQDJH-DZGCQCFKSA-N 0 3 322.449 3.655 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794817431 1034527540 /nfs/dbraw/zinc/52/75/40/1034527540.db2.gz NAYRLRQESZCHGJ-YJBOKZPZSA-N 0 3 317.429 3.982 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794818511 1034536719 /nfs/dbraw/zinc/53/67/19/1034536719.db2.gz XFRXLJZKAOBEKE-MJGOQNOKSA-N 0 3 313.441 3.653 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794816789 1034537271 /nfs/dbraw/zinc/53/72/71/1034537271.db2.gz KQKZIYHCLKEZSX-IEBWSBKVSA-N 0 3 313.441 3.735 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794817771 1034539524 /nfs/dbraw/zinc/53/95/24/1034539524.db2.gz VQHJYWKKKVCEGT-PKOBYXMFSA-N 0 3 313.441 3.653 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC000185323370 1034541450 /nfs/dbraw/zinc/54/14/50/1034541450.db2.gz SYIDFCIWZRHZDQ-CQSZACIVSA-N 0 3 313.397 3.713 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(C)cc1[O-] ZINC000794829528 1034548459 /nfs/dbraw/zinc/54/84/59/1034548459.db2.gz TYEKQXRLDQAOJY-WMZOPIPTSA-N 0 3 302.462 3.758 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000186159539 1034604038 /nfs/dbraw/zinc/60/40/38/1034604038.db2.gz MHKIUXPEUIEZAD-BEFAXECRSA-N 0 3 311.425 3.865 20 10 DHCDHN CCCOc1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1C ZINC001177912303 1035398843 /nfs/dbraw/zinc/39/88/43/1035398843.db2.gz OWOSYJXIJYJLIE-UHFFFAOYSA-N 0 3 303.377 3.918 20 10 DHCDHN CCCOc1ccc(CNCc2ccc(O)c(F)c2)cc1C ZINC001177912303 1035398845 /nfs/dbraw/zinc/39/88/45/1035398845.db2.gz OWOSYJXIJYJLIE-UHFFFAOYSA-N 0 3 303.377 3.918 20 10 DHCDHN CCn1cnc(CNCCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001179295776 1035472055 /nfs/dbraw/zinc/47/20/55/1035472055.db2.gz QLEATSKFUJJHDD-UHFFFAOYSA-N 0 3 322.456 3.643 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2oc(=O)[nH]c2c1 ZINC001179525353 1035480329 /nfs/dbraw/zinc/48/03/29/1035480329.db2.gz MXZYFJKRVFVTMT-UHFFFAOYSA-N 0 3 321.380 3.623 20 10 DHCDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000773817395 1035483676 /nfs/dbraw/zinc/48/36/76/1035483676.db2.gz JCNJAZOSHVLGCA-AWEZNQCLSA-N 0 3 312.413 3.722 20 10 DHCDHN Cc1nc(C)c([C@H](C)NCc2ccc3c(c2)CCCN3C)s1 ZINC000195287458 1035523110 /nfs/dbraw/zinc/52/31/10/1035523110.db2.gz VRKALUWZLODBEK-LBPRGKRZSA-N 0 3 315.486 3.993 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001180052871 1035576175 /nfs/dbraw/zinc/57/61/75/1035576175.db2.gz WEIGVBXWAGLEDE-WBVHZDCISA-N 0 3 307.459 3.569 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001180052871 1035576184 /nfs/dbraw/zinc/57/61/84/1035576184.db2.gz WEIGVBXWAGLEDE-WBVHZDCISA-N 0 3 307.459 3.569 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001204278158 1035745344 /nfs/dbraw/zinc/74/53/44/1035745344.db2.gz VTXJIOQYCCZMOD-INIZCTEOSA-N 0 3 319.401 3.604 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001204278158 1035745358 /nfs/dbraw/zinc/74/53/58/1035745358.db2.gz VTXJIOQYCCZMOD-INIZCTEOSA-N 0 3 319.401 3.604 20 10 DHCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(C)nn1 ZINC000929636436 1036160610 /nfs/dbraw/zinc/16/06/10/1036160610.db2.gz VYLMORWJEAIJPM-UHFFFAOYSA-N 0 3 311.429 3.744 20 10 DHCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(C)nn1 ZINC000929636436 1036160624 /nfs/dbraw/zinc/16/06/24/1036160624.db2.gz VYLMORWJEAIJPM-UHFFFAOYSA-N 0 3 311.429 3.744 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1[O-] ZINC000775659632 1036273792 /nfs/dbraw/zinc/27/37/92/1036273792.db2.gz ZRXGHSFQODKJAC-CQSZACIVSA-N 0 3 319.832 3.737 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1[O-] ZINC000775659632 1036273801 /nfs/dbraw/zinc/27/38/01/1036273801.db2.gz ZRXGHSFQODKJAC-CQSZACIVSA-N 0 3 319.832 3.737 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC001182423427 1036276592 /nfs/dbraw/zinc/27/65/92/1036276592.db2.gz DWWUEBPKOXWKDJ-AWEZNQCLSA-N 0 3 316.420 3.627 20 10 DHCDHN Cc1occc1CN(C)Cc1cc(Br)cc(C)c1O ZINC000775662094 1036281232 /nfs/dbraw/zinc/28/12/32/1036281232.db2.gz UFJOPQJRXFLZIL-UHFFFAOYSA-N 0 3 324.218 3.997 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000774400338 1036320386 /nfs/dbraw/zinc/32/03/86/1036320386.db2.gz UENHCPWMIDNVKR-JMPLFQLZSA-N 0 3 319.351 3.542 20 10 DHCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000102675123 1036627266 /nfs/dbraw/zinc/62/72/66/1036627266.db2.gz YHKDVTQFNPJIMD-UHFFFAOYSA-N 0 3 302.393 3.532 20 10 DHCDHN COc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001203630338 1037266036 /nfs/dbraw/zinc/26/60/36/1037266036.db2.gz QGNZCENPSOHQPQ-UHFFFAOYSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1cccc(CN2Cc3ccccc3C3(CC3)C2)c1O ZINC000776013972 1037303231 /nfs/dbraw/zinc/30/32/31/1037303231.db2.gz PMSHNBLPQNSOBK-UHFFFAOYSA-N 0 3 309.409 3.838 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000776011835 1037309489 /nfs/dbraw/zinc/30/94/89/1037309489.db2.gz BQKUTLYUACEXBR-BXUZGUMPSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000776011835 1037309498 /nfs/dbraw/zinc/30/94/98/1037309498.db2.gz BQKUTLYUACEXBR-BXUZGUMPSA-N 0 3 317.351 3.954 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1[O-] ZINC000776174248 1037677236 /nfs/dbraw/zinc/67/72/36/1037677236.db2.gz GEIWIERICOMVKB-LBPRGKRZSA-N 0 3 305.805 3.780 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000776230152 1037971681 /nfs/dbraw/zinc/97/16/81/1037971681.db2.gz HALQVUIEZKHMDP-GTNSWQLSSA-N 0 3 323.795 3.705 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000106470165 1038103934 /nfs/dbraw/zinc/10/39/34/1038103934.db2.gz YTQBMECCMWNPDB-UHFFFAOYSA-N 0 3 311.303 3.580 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000775371421 1038288624 /nfs/dbraw/zinc/28/86/24/1038288624.db2.gz NXDPEICRPGKPQW-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN CC(C)CC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001190904202 1038406457 /nfs/dbraw/zinc/40/64/57/1038406457.db2.gz KWTDIQYOSWXHCT-GOSISDBHSA-N 0 3 305.462 3.934 20 10 DHCDHN CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001190904202 1038406463 /nfs/dbraw/zinc/40/64/63/1038406463.db2.gz KWTDIQYOSWXHCT-GOSISDBHSA-N 0 3 305.462 3.934 20 10 DHCDHN CCCN1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775484715 1038550296 /nfs/dbraw/zinc/55/02/96/1038550296.db2.gz HURAGPWNYRSRKU-MRXNPFEDSA-N 0 3 310.869 3.961 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccccc1[O-] ZINC000775522463 1038631909 /nfs/dbraw/zinc/63/19/09/1038631909.db2.gz QFSAEGWDCBMGQA-HOCLYGCPSA-N 0 3 321.486 3.878 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000775539107 1038681060 /nfs/dbraw/zinc/68/10/60/1038681060.db2.gz CCARIJCWSRZDID-RDJZCZTQSA-N 0 3 319.445 3.899 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775551995 1038709825 /nfs/dbraw/zinc/70/98/25/1038709825.db2.gz QJAIHXZDFDUYTC-APWZRJJASA-N 0 3 311.425 3.999 20 10 DHCDHN CC[C@H](C[NH2+][C@H](CC)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000227711830 1040366175 /nfs/dbraw/zinc/36/61/75/1040366175.db2.gz MFRUPLURYUZHMO-UKRRQHHQSA-N 0 3 322.449 3.736 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccsc2)c1[O-] ZINC000228671851 1041047827 /nfs/dbraw/zinc/04/78/27/1041047827.db2.gz QANHTDPHKCSPKL-SNVBAGLBSA-N 0 3 311.834 3.837 20 10 DHCDHN CCCN(CC[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000228799147 1041191757 /nfs/dbraw/zinc/19/17/57/1041191757.db2.gz CNQVNKNNZBZQJY-CQSZACIVSA-N 0 3 322.449 3.690 20 10 DHCDHN CCOc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1[O-] ZINC000236897961 202060375 /nfs/dbraw/zinc/06/03/75/202060375.db2.gz AOJKXIVVEDSTPM-UHFFFAOYSA-N 0 3 310.397 3.605 20 10 DHCDHN Cc1nc2c(s1)[C@H](N(C)Cc1cc(C)ccc1O)CCC2 ZINC000093365150 193239935 /nfs/dbraw/zinc/23/99/35/193239935.db2.gz HEVPZJLPMPYMNR-OAHLLOKOSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C)ccc1[O-])CCC2 ZINC000093365150 193239937 /nfs/dbraw/zinc/23/99/37/193239937.db2.gz HEVPZJLPMPYMNR-OAHLLOKOSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C)ccc1[O-])CCC2 ZINC000093365150 193239938 /nfs/dbraw/zinc/23/99/38/193239938.db2.gz HEVPZJLPMPYMNR-OAHLLOKOSA-N 0 3 302.443 3.975 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(F)ccc1[O-] ZINC000094616956 193385570 /nfs/dbraw/zinc/38/55/70/193385570.db2.gz MVVGIKVVELQZRU-BXUZGUMPSA-N 0 3 308.422 3.546 20 10 DHCDHN COc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000288375726 335052009 /nfs/dbraw/zinc/05/20/09/335052009.db2.gz FPMXLGSSRKSQGO-QGZVFWFLSA-N 0 3 319.832 3.870 20 10 DHCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272249178 130011737 /nfs/dbraw/zinc/01/17/37/130011737.db2.gz IAPYLSSUJWOVJH-ZDUSSCGKSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272249178 130011739 /nfs/dbraw/zinc/01/17/39/130011739.db2.gz IAPYLSSUJWOVJH-ZDUSSCGKSA-N 0 3 301.361 3.529 20 10 DHCDHN Cc1nccn1CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273434895 130121025 /nfs/dbraw/zinc/12/10/25/130121025.db2.gz WQDJMQFGFZFXCE-CQSZACIVSA-N 0 3 309.413 3.791 20 10 DHCDHN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)c(O)c1C ZINC000273496122 130129073 /nfs/dbraw/zinc/12/90/73/130129073.db2.gz PCWKBLWRJSAQSN-DYVFJYSZSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000273508681 130130070 /nfs/dbraw/zinc/13/00/70/130130070.db2.gz RINKMYXMYQZVSQ-QLEMLULZSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ncc(CN[C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000273590132 130141909 /nfs/dbraw/zinc/14/19/09/130141909.db2.gz OWJUWCBZQUOGIP-LLVKDONJSA-N 0 3 302.443 3.887 20 10 DHCDHN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273595100 130142480 /nfs/dbraw/zinc/14/24/80/130142480.db2.gz QHKCAWDUFDOWLM-AAEUAGOBSA-N 0 3 302.418 3.896 20 10 DHCDHN COc1ncc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000275049201 130287869 /nfs/dbraw/zinc/28/78/69/130287869.db2.gz ZWDTYTRKZPJHAJ-LBPRGKRZSA-N 0 3 319.836 3.660 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(C)cc1[O-] ZINC000284383728 131076383 /nfs/dbraw/zinc/07/63/83/131076383.db2.gz ONTSNFVTMORNQC-AWEZNQCLSA-N 0 3 322.355 3.938 20 10 DHCDHN C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000286939545 131256906 /nfs/dbraw/zinc/25/69/06/131256906.db2.gz GTXPJZGRMKCMHK-BZNIZROVSA-N 0 3 323.795 3.959 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCCOCc1ccccc1)CC2 ZINC000297654448 132027759 /nfs/dbraw/zinc/02/77/59/132027759.db2.gz KICMVALNJHTTFQ-GOSISDBHSA-N 0 3 311.425 3.966 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000297962698 132042557 /nfs/dbraw/zinc/04/25/57/132042557.db2.gz ZIMWULSENYMMCU-KRWDZBQOSA-N 0 3 309.409 3.958 20 10 DHCDHN C[C@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294028548 335117201 /nfs/dbraw/zinc/11/72/01/335117201.db2.gz FJPYDCPZODDGFH-QFBILLFUSA-N 0 3 313.441 3.817 20 10 DHCDHN CC[C@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(N(C)C)cc1 ZINC000178719108 333142965 /nfs/dbraw/zinc/14/29/65/333142965.db2.gz ARKYVSVACXWMGV-UGSOOPFHSA-N 0 3 300.450 3.596 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000185405084 333208388 /nfs/dbraw/zinc/20/83/88/333208388.db2.gz SGAVBXPXZOUWII-KGLIPLIRSA-N 0 3 313.397 3.618 20 10 DHCDHN Cc1ccc(O)c(CN(C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000295046582 335130206 /nfs/dbraw/zinc/13/02/06/335130206.db2.gz NCOBYPCJFKMHLQ-MRXNPFEDSA-N 0 3 305.805 3.519 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)C(F)F ZINC000295048386 335130224 /nfs/dbraw/zinc/13/02/24/335130224.db2.gz NHORGQBVLWRPBT-WBVHZDCISA-N 0 3 321.367 3.553 20 10 DHCDHN C[C@H](O)C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297131667 335149673 /nfs/dbraw/zinc/14/96/73/335149673.db2.gz YZZVZAIBDZTFDP-QGTPRVQTSA-N 0 3 311.425 3.524 20 10 DHCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278402162 334095830 /nfs/dbraw/zinc/09/58/30/334095830.db2.gz OITFTJNGZFLTBG-NSHDSACASA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278402162 334095832 /nfs/dbraw/zinc/09/58/32/334095832.db2.gz OITFTJNGZFLTBG-NSHDSACASA-N 0 3 303.324 3.565 20 10 DHCDHN CC[C@@H](NCc1cn2ccc(C)cc2n1)c1ccc(C)cc1O ZINC000280200720 334115131 /nfs/dbraw/zinc/11/51/31/334115131.db2.gz SSWJGDYODKKQEA-QGZVFWFLSA-N 0 3 309.413 3.898 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295055443 334216243 /nfs/dbraw/zinc/21/62/43/334216243.db2.gz NVZFKZYTZLFDBI-CXAGYDPISA-N 0 3 313.397 3.793 20 10 DHCDHN Cc1ccn(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)n1 ZINC000369290042 336861700 /nfs/dbraw/zinc/86/17/00/336861700.db2.gz HWISRCNXIXNQHI-UHFFFAOYSA-N 0 3 319.836 3.696 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000370222936 336880003 /nfs/dbraw/zinc/88/00/03/336880003.db2.gz PDZQPBNGVHFXLG-FUHWJXTLSA-N 0 3 303.446 3.982 20 10 DHCDHN CN1CCc2cc(CN[C@@H]3CCCc4ccc(O)cc43)ccc21 ZINC000375068518 337002495 /nfs/dbraw/zinc/00/24/95/337002495.db2.gz CXOCUWBGVWRPFF-LJQANCHMSA-N 0 3 308.425 3.552 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377631060 337056793 /nfs/dbraw/zinc/05/67/93/337056793.db2.gz SLSNMOQQJSVHPC-DZGCQCFKSA-N 0 3 317.351 3.623 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377631060 337056794 /nfs/dbraw/zinc/05/67/94/337056794.db2.gz SLSNMOQQJSVHPC-DZGCQCFKSA-N 0 3 317.351 3.623 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N(C)[C@@H]2CCCc3cccnc32)c1 ZINC000377690673 337058433 /nfs/dbraw/zinc/05/84/33/337058433.db2.gz DMOVQCHGKMYQQO-CXAGYDPISA-N 0 3 312.413 3.866 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1[O-] ZINC000183446444 337191690 /nfs/dbraw/zinc/19/16/90/337191690.db2.gz NODZMJQEZHSSFU-ZDUSSCGKSA-N 0 3 311.360 3.568 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cc(F)ccc1[O-] ZINC000185628457 337249731 /nfs/dbraw/zinc/24/97/31/337249731.db2.gz COWDWXFAVRMJOW-RCBQFDQVSA-N 0 3 303.381 3.562 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248487117 337565589 /nfs/dbraw/zinc/56/55/89/337565589.db2.gz FZRQREJQATUFLP-MJSCVDMRSA-N 0 3 301.430 3.699 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c([O-])c1 ZINC000527952701 337774136 /nfs/dbraw/zinc/77/41/36/337774136.db2.gz VFMYTIWHYIDBFC-NVXWUHKLSA-N 0 3 302.462 3.758 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000527929225 337776253 /nfs/dbraw/zinc/77/62/53/337776253.db2.gz PGKGPNSIJVALBF-GJZGRUSLSA-N 0 3 303.446 3.738 20 10 DHCDHN CCc1nc(C)c([C@H](C)N(C)Cc2cc(OC)ccc2O)s1 ZINC000180406826 522229337 /nfs/dbraw/zinc/22/93/37/522229337.db2.gz RBNAJKAXNKSWFJ-LBPRGKRZSA-N 0 3 320.458 3.921 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000366418499 522633101 /nfs/dbraw/zinc/63/31/01/522633101.db2.gz NAZSBQYDJGJFIG-PBHICJAKSA-N 0 3 324.424 3.867 20 10 DHCDHN C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000191186945 525287841 /nfs/dbraw/zinc/28/78/41/525287841.db2.gz HYAMVLCRDQPPLG-JTQLQIEISA-N 0 3 312.404 3.630 20 10 DHCDHN C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000191186945 525287850 /nfs/dbraw/zinc/28/78/50/525287850.db2.gz HYAMVLCRDQPPLG-JTQLQIEISA-N 0 3 312.404 3.630 20 10 DHCDHN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccccc1[O-] ZINC000157591470 525425206 /nfs/dbraw/zinc/42/52/06/525425206.db2.gz ZMUDOIZLLBGOSK-SJCJKPOMSA-N 0 3 305.805 3.604 20 10 DHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000173346624 525444258 /nfs/dbraw/zinc/44/42/58/525444258.db2.gz NGQSZPBHVAQPHZ-KRWDZBQOSA-N 0 3 324.468 3.746 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000266592091 525525685 /nfs/dbraw/zinc/52/56/85/525525685.db2.gz NHTBDSKCYFWFBV-MRXNPFEDSA-N 0 3 320.440 3.789 20 10 DHCDHN C[C@@H](NCc1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156499078 525544025 /nfs/dbraw/zinc/54/40/25/525544025.db2.gz BABQHINNVPTPCW-CYBMUJFWSA-N 0 3 320.433 3.575 20 10 DHCDHN Cc1ccc([C@@H](C[NH2+]Cc2cccc(C)c2[O-])N2CCCC2)o1 ZINC000181068422 525763089 /nfs/dbraw/zinc/76/30/89/525763089.db2.gz RVOWPAOCWNKAKW-QGZVFWFLSA-N 0 3 314.429 3.529 20 10 DHCDHN Cc1nc2c(s1)[C@@H](N(C)Cc1cccc(C)c1O)CCC2 ZINC000180231680 527106380 /nfs/dbraw/zinc/10/63/80/527106380.db2.gz VUBDZXVKPVYMHS-HNNXBMFYSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C)c1[O-])CCC2 ZINC000180231680 527106384 /nfs/dbraw/zinc/10/63/84/527106384.db2.gz VUBDZXVKPVYMHS-HNNXBMFYSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(C)c1[O-])CCC2 ZINC000180231680 527106390 /nfs/dbraw/zinc/10/63/90/527106390.db2.gz VUBDZXVKPVYMHS-HNNXBMFYSA-N 0 3 302.443 3.975 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H](CCOC)c2ccc(C)o2)c1 ZINC000272355860 535752765 /nfs/dbraw/zinc/75/27/65/535752765.db2.gz VOMILTRCPIDSQX-MRXNPFEDSA-N 0 3 319.401 3.560 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C)[C@@H](F)C3)c2c1 ZINC000777965693 1032058676 /nfs/dbraw/zinc/05/86/76/1032058676.db2.gz FGCASYDLSNBMMI-SJCJKPOMSA-N 0 3 303.377 3.734 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C)[C@@H](F)C3)c2c1 ZINC000777965693 1032058665 /nfs/dbraw/zinc/05/86/65/1032058665.db2.gz FGCASYDLSNBMMI-SJCJKPOMSA-N 0 3 303.377 3.734 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000155100522 1013206214 /nfs/dbraw/zinc/20/62/14/1013206214.db2.gz BOMQBHZMYOMHNH-APWZRJJASA-N 0 3 310.441 3.959 20 10 DHCDHN C[C@@H]1CCCN(c2ccc(CNCc3cnc[nH]3)cc2Cl)C1 ZINC000894663731 1013445141 /nfs/dbraw/zinc/44/51/41/1013445141.db2.gz BFRLHKYGKOHYGX-CYBMUJFWSA-N 0 3 318.852 3.589 20 10 DHCDHN C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000303268785 1013498340 /nfs/dbraw/zinc/49/83/40/1013498340.db2.gz ULVFSYYKGQUKFH-HNNXBMFYSA-N 0 3 316.420 3.704 20 10 DHCDHN Cc1cc(CNCc2c(C)nn(C)c2C)c(C)n1-c1ccccc1 ZINC000325802980 1014075353 /nfs/dbraw/zinc/07/53/53/1014075353.db2.gz IRXUSLVANHFSQN-UHFFFAOYSA-N 0 3 322.456 3.734 20 10 DHCDHN C[C@@H](NCc1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000846860171 1032098269 /nfs/dbraw/zinc/09/82/69/1032098269.db2.gz HCVXHBQJJDYOIQ-LLVKDONJSA-N 0 3 307.800 3.791 20 10 DHCDHN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276141527 1014714442 /nfs/dbraw/zinc/71/44/42/1014714442.db2.gz NMAAIOGYIREYSN-HBNTYKKESA-N 0 3 316.239 3.537 20 10 DHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)nc1 ZINC000126961009 1014957334 /nfs/dbraw/zinc/95/73/34/1014957334.db2.gz ZCXVTPQSEXAAND-UHFFFAOYSA-N 0 3 303.837 3.823 20 10 DHCDHN CN(C)c1ccc(/C=C/CN2CC[C@H](c3nccs3)C2)cc1 ZINC000895580516 1015216342 /nfs/dbraw/zinc/21/63/42/1015216342.db2.gz BLOKHZOLUPQEBV-CWDCEQMOSA-N 0 3 313.470 3.712 20 10 DHCDHN CC(C)N1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040621775 1015331230 /nfs/dbraw/zinc/33/12/30/1015331230.db2.gz MHPKKMNJJDSAAH-LLVKDONJSA-N 0 3 317.260 3.519 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425445 1015481560 /nfs/dbraw/zinc/48/15/60/1015481560.db2.gz AATRWPWNGHSPBD-MOPGFXCFSA-N 0 3 322.452 3.806 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896515609 1015616968 /nfs/dbraw/zinc/61/69/68/1015616968.db2.gz GXHNISFFKLYSAJ-AWEZNQCLSA-N 0 3 314.454 3.717 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896515609 1015616974 /nfs/dbraw/zinc/61/69/74/1015616974.db2.gz GXHNISFFKLYSAJ-AWEZNQCLSA-N 0 3 314.454 3.717 20 10 DHCDHN COc1ccc(C[N@H+](C)C[C@H](C)c2ccccc2)c([O-])c1OC ZINC000891916752 1015755411 /nfs/dbraw/zinc/75/54/11/1015755411.db2.gz OLNMNULLHSUMME-AWEZNQCLSA-N 0 3 315.413 3.645 20 10 DHCDHN COc1ccc(C[N@@H+](C)C[C@H](C)c2ccccc2)c([O-])c1OC ZINC000891916752 1015755417 /nfs/dbraw/zinc/75/54/17/1015755417.db2.gz OLNMNULLHSUMME-AWEZNQCLSA-N 0 3 315.413 3.645 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c([O-])c1 ZINC000896887040 1015802754 /nfs/dbraw/zinc/80/27/54/1015802754.db2.gz GDGLMHIPWHDTOE-NVXWUHKLSA-N 0 3 303.352 3.839 20 10 DHCDHN Cc1noc(C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])c2ccccc2)n1 ZINC000277178440 1016015497 /nfs/dbraw/zinc/01/54/97/1016015497.db2.gz SSJKXRBKIZNQTE-CXAGYDPISA-N 0 3 323.396 3.718 20 10 DHCDHN CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])CC(C)C ZINC000184949634 1016463604 /nfs/dbraw/zinc/46/36/04/1016463604.db2.gz ZCFFGIVFVHJKDV-CABCVRRESA-N 0 3 322.449 3.512 20 10 DHCDHN COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185186633 1016715980 /nfs/dbraw/zinc/71/59/80/1016715980.db2.gz ZKASFHWNDOMALZ-AWEZNQCLSA-N 0 3 315.413 3.611 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCCSc2nccs2)c([O-])c1 ZINC000185490048 1016946297 /nfs/dbraw/zinc/94/62/97/1016946297.db2.gz WVMRPQZWMSTFTO-LBPRGKRZSA-N 0 3 308.472 3.990 20 10 DHCDHN COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185574806 1017024731 /nfs/dbraw/zinc/02/47/31/1017024731.db2.gz BAZMTISYEHKMMK-CHWSQXEVSA-N 0 3 319.376 3.658 20 10 DHCDHN Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000192946276 1017232328 /nfs/dbraw/zinc/23/23/28/1017232328.db2.gz RNIVJXLUKUWFFV-AWEZNQCLSA-N 0 3 309.413 3.710 20 10 DHCDHN Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])c(-c2cnn(C)c2)c1 ZINC000282708759 1032458488 /nfs/dbraw/zinc/45/84/88/1032458488.db2.gz AWVPQGGZRMFWGL-UHFFFAOYSA-N 0 3 321.424 3.733 20 10 DHCDHN Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2cnn(C)c2)c1 ZINC000282708759 1032458507 /nfs/dbraw/zinc/45/85/07/1032458507.db2.gz AWVPQGGZRMFWGL-UHFFFAOYSA-N 0 3 321.424 3.733 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c([O-])c1 ZINC000192846857 1017093808 /nfs/dbraw/zinc/09/38/08/1017093808.db2.gz KPFKGNCQIBQHBG-STQMWFEESA-N 0 3 313.401 3.603 20 10 DHCDHN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773052206 1032541453 /nfs/dbraw/zinc/54/14/53/1032541453.db2.gz WZIYGHHGYXCXPS-XJKSGUPXSA-N 0 3 304.459 3.507 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000192864134 1017166641 /nfs/dbraw/zinc/16/66/41/1017166641.db2.gz GTPVBVKLFCYCFU-MRXNPFEDSA-N 0 3 315.413 3.693 20 10 DHCDHN Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC000897301291 1017347736 /nfs/dbraw/zinc/34/77/36/1017347736.db2.gz FPIJBRPIYMQSCD-AWEZNQCLSA-N 0 3 302.443 3.530 20 10 DHCDHN Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC000897301291 1017347740 /nfs/dbraw/zinc/34/77/40/1017347740.db2.gz FPIJBRPIYMQSCD-AWEZNQCLSA-N 0 3 302.443 3.530 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783599516 1017483975 /nfs/dbraw/zinc/48/39/75/1017483975.db2.gz QVHSTGQWBPHBTL-UHFFFAOYSA-N 0 3 309.409 3.672 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000783599516 1017483978 /nfs/dbraw/zinc/48/39/78/1017483978.db2.gz QVHSTGQWBPHBTL-UHFFFAOYSA-N 0 3 309.409 3.672 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000926915835 1032732581 /nfs/dbraw/zinc/73/25/81/1032732581.db2.gz MAWFGJDFIHPCEB-ZOWXZIJZSA-N 0 3 317.351 3.851 20 10 DHCDHN CCN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263698736 1032755911 /nfs/dbraw/zinc/75/59/11/1032755911.db2.gz QUMBCSDZHKRRSF-UHFFFAOYSA-N 0 3 310.441 3.633 20 10 DHCDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000765098833 1018475947 /nfs/dbraw/zinc/47/59/47/1018475947.db2.gz DBUHCDCIKDFXCO-CQSZACIVSA-N 0 3 314.429 3.621 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)NC(=O)OC(C)(C)C ZINC000785457832 1018996353 /nfs/dbraw/zinc/99/63/53/1018996353.db2.gz IQFBPTZUBZKSMG-AWEZNQCLSA-N 0 3 322.449 3.517 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](C)NC(=O)OC(C)(C)C ZINC000785457832 1018996359 /nfs/dbraw/zinc/99/63/59/1018996359.db2.gz IQFBPTZUBZKSMG-AWEZNQCLSA-N 0 3 322.449 3.517 20 10 DHCDHN CC[C@H](NCc1c(C)nn(CC)c1C)c1ccc(N(C)C)cc1 ZINC000765661283 1019034018 /nfs/dbraw/zinc/03/40/18/1019034018.db2.gz YCRAWETXUSJBDL-IBGZPJMESA-N 0 3 314.477 3.827 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1[O-] ZINC000843431849 1019040162 /nfs/dbraw/zinc/04/01/62/1019040162.db2.gz KKRWMGZNHRBCRV-CYBMUJFWSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1[O-] ZINC000843431849 1019040184 /nfs/dbraw/zinc/04/01/84/1019040184.db2.gz KKRWMGZNHRBCRV-CYBMUJFWSA-N 0 3 309.837 3.745 20 10 DHCDHN CCCC[N@H+](Cc1cn(C)nc1C(F)F)Cc1ccccc1[O-] ZINC000282332627 1019566612 /nfs/dbraw/zinc/56/66/12/1019566612.db2.gz BEGQJTQMGRSUAH-UHFFFAOYSA-N 0 3 323.387 3.866 20 10 DHCDHN CCCC[N@@H+](Cc1cn(C)nc1C(F)F)Cc1ccccc1[O-] ZINC000282332627 1019566623 /nfs/dbraw/zinc/56/66/23/1019566623.db2.gz BEGQJTQMGRSUAH-UHFFFAOYSA-N 0 3 323.387 3.866 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000858320368 1032845288 /nfs/dbraw/zinc/84/52/88/1032845288.db2.gz BAPUSEZKTJIMKQ-OAHLLOKOSA-N 0 3 303.789 3.831 20 10 DHCDHN CCOc1ccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c([O-])c1 ZINC000728593573 1019794222 /nfs/dbraw/zinc/79/42/22/1019794222.db2.gz XIXANTVJJMWFSO-UHFFFAOYSA-N 0 3 324.424 3.913 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000176983055 1020154172 /nfs/dbraw/zinc/15/41/72/1020154172.db2.gz MYAPXJUSTPVWOF-GHMZBOCLSA-N 0 3 303.333 3.672 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000734844296 1020667708 /nfs/dbraw/zinc/66/77/08/1020667708.db2.gz MBFZACTZHISTPH-HXUWFJFHSA-N 0 3 319.404 3.882 20 10 DHCDHN CCOc1ccc(O)c(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000725847291 1020721199 /nfs/dbraw/zinc/72/11/99/1020721199.db2.gz YVSXYNLASYRIPQ-LRDDRELGSA-N 0 3 301.386 3.797 20 10 DHCDHN C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccco1 ZINC000742375707 1021114683 /nfs/dbraw/zinc/11/46/83/1021114683.db2.gz RXTFOJCREOLDEM-HXUWFJFHSA-N 0 3 323.392 3.650 20 10 DHCDHN CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000176981956 1021189188 /nfs/dbraw/zinc/18/91/88/1021189188.db2.gz QTCNMUARIWDPHM-VXGBXAGGSA-N 0 3 316.376 3.902 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000176983388 1021191141 /nfs/dbraw/zinc/19/11/41/1021191141.db2.gz GLSQLUMJYUDWPG-NWDGAFQWSA-N 0 3 317.360 3.714 20 10 DHCDHN CCCCN(CC(=O)N(C(C)C)C(C)C)Cc1ccccc1O ZINC000801599653 1021286840 /nfs/dbraw/zinc/28/68/40/1021286840.db2.gz XTQZJKHVLJAVBH-UHFFFAOYSA-N 0 3 320.477 3.640 20 10 DHCDHN COc1cc(CN[C@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850006885 1021395218 /nfs/dbraw/zinc/39/52/18/1021395218.db2.gz FCCLRFNLKUFPNY-CYBMUJFWSA-N 0 3 314.429 3.944 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368338 1021490852 /nfs/dbraw/zinc/49/08/52/1021490852.db2.gz BUGUSFJORTYQEI-UXHICEINSA-N 0 3 310.441 3.801 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C(F)F)nc1 ZINC000850430082 1021528452 /nfs/dbraw/zinc/52/84/52/1021528452.db2.gz MZBCKSNHVXCYHD-LLVKDONJSA-N 0 3 304.340 3.805 20 10 DHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850507866 1021566582 /nfs/dbraw/zinc/56/65/82/1021566582.db2.gz KNJPRPIDROCUJC-ONGXEEELSA-N 0 3 312.207 3.533 20 10 DHCDHN C[C@H](N[C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511039 1021568140 /nfs/dbraw/zinc/56/81/40/1021568140.db2.gz YRHGHSCRCBNEHY-UONOGXRCSA-N 0 3 306.837 3.546 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000154823889 1021660596 /nfs/dbraw/zinc/66/05/96/1021660596.db2.gz XLFVDOIUKNAAPS-ZWKOTPCHSA-N 0 3 316.420 3.875 20 10 DHCDHN C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000109769272 1021748167 /nfs/dbraw/zinc/74/81/67/1021748167.db2.gz MCPPGUZQKFRIHX-UHFFFAOYSA-N 0 3 318.804 3.506 20 10 DHCDHN C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000109769272 1021748182 /nfs/dbraw/zinc/74/81/82/1021748182.db2.gz MCPPGUZQKFRIHX-UHFFFAOYSA-N 0 3 318.804 3.506 20 10 DHCDHN CC[C@H](N[C@@H](CO)c1ccccc1C)c1ccc(N(C)C)cc1 ZINC000766401440 1022094636 /nfs/dbraw/zinc/09/46/36/1022094636.db2.gz QRSVQWJBKHQJEZ-PMACEKPBSA-N 0 3 312.457 3.835 20 10 DHCDHN C[C@@H](NCc1cccnc1OC1CCCC1)c1ccccc1O ZINC000183415366 1022137850 /nfs/dbraw/zinc/13/78/50/1022137850.db2.gz ZXMSSBXUZFFSQG-CQSZACIVSA-N 0 3 312.413 3.959 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1[O-] ZINC000183538866 1022176389 /nfs/dbraw/zinc/17/63/89/1022176389.db2.gz SRYWTPXNWGHLID-LSDHHAIUSA-N 0 3 307.397 3.990 20 10 DHCDHN Cc1ccc(O)c(CNCc2ccccc2Br)c1 ZINC000071408328 1022180543 /nfs/dbraw/zinc/18/05/43/1022180543.db2.gz GMXBVBIPFGDKCS-UHFFFAOYSA-N 0 3 306.203 3.753 20 10 DHCDHN CC(C)c1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1 ZINC000852848510 1022183611 /nfs/dbraw/zinc/18/36/11/1022183611.db2.gz LOPUKFNKGBFDHQ-UHFFFAOYSA-N 0 3 308.425 3.732 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cn2ccccc2n1)C1CCCC1 ZINC000111245068 1022262947 /nfs/dbraw/zinc/26/29/47/1022262947.db2.gz DUUVRRGNJPFCMN-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cn2ccccc2n1)C1CCCC1 ZINC000111245068 1022262949 /nfs/dbraw/zinc/26/29/49/1022262949.db2.gz DUUVRRGNJPFCMN-UHFFFAOYSA-N 0 3 321.424 3.985 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861436 1022347043 /nfs/dbraw/zinc/34/70/43/1022347043.db2.gz WQYVPQZOCQBKFO-QRWLVFNGSA-N 0 3 321.424 3.874 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([O-])c1 ZINC000363866344 1022354798 /nfs/dbraw/zinc/35/47/98/1022354798.db2.gz IAAXTJWHRARZDF-OAHLLOKOSA-N 0 3 319.445 3.572 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)c([O-])c1 ZINC000363866344 1022354815 /nfs/dbraw/zinc/35/48/15/1022354815.db2.gz IAAXTJWHRARZDF-OAHLLOKOSA-N 0 3 319.445 3.572 20 10 DHCDHN C[C@@H](c1ccccc1)[N@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC000179645082 1022495062 /nfs/dbraw/zinc/49/50/62/1022495062.db2.gz NRVTVKOAIDETPT-KRWDZBQOSA-N 0 3 321.424 3.852 20 10 DHCDHN C[C@@H](c1ccccc1)[N@@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC000179645082 1022495069 /nfs/dbraw/zinc/49/50/69/1022495069.db2.gz NRVTVKOAIDETPT-KRWDZBQOSA-N 0 3 321.424 3.852 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc2ccccc2c1[O-] ZINC000273303136 1022535204 /nfs/dbraw/zinc/53/52/04/1022535204.db2.gz CDBBVWRHUOEGFW-GDIGMMSISA-N 0 3 310.441 3.823 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000180011122 1022603988 /nfs/dbraw/zinc/60/39/88/1022603988.db2.gz XWTSRCGUUQVFJG-UHFFFAOYSA-N 0 3 319.351 3.714 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000180013089 1022613993 /nfs/dbraw/zinc/61/39/93/1022613993.db2.gz VYDXBCSLPCXKOV-UHFFFAOYSA-N 0 3 301.361 3.649 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000180013089 1022613999 /nfs/dbraw/zinc/61/39/99/1022613999.db2.gz VYDXBCSLPCXKOV-UHFFFAOYSA-N 0 3 301.361 3.649 20 10 DHCDHN C[C@@H](NCc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000068478643 1022651984 /nfs/dbraw/zinc/65/19/84/1022651984.db2.gz NHQWCUXHPULZCY-OAHLLOKOSA-N 0 3 314.404 3.513 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000763677765 1022820329 /nfs/dbraw/zinc/82/03/29/1022820329.db2.gz WLXMQZFMXXGLHK-UHFFFAOYSA-N 0 3 318.442 3.545 20 10 DHCDHN CCN(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000768131932 1022897878 /nfs/dbraw/zinc/89/78/78/1022897878.db2.gz BRKKOLHOZPXXOA-UHFFFAOYSA-N 0 3 314.477 3.795 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000768137079 1022905655 /nfs/dbraw/zinc/90/56/55/1022905655.db2.gz FZGNKIKGWKMAAL-KRWDZBQOSA-N 0 3 312.413 3.913 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000768137079 1022905667 /nfs/dbraw/zinc/90/56/67/1022905667.db2.gz FZGNKIKGWKMAAL-KRWDZBQOSA-N 0 3 312.413 3.913 20 10 DHCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000768160449 1022907552 /nfs/dbraw/zinc/90/75/52/1022907552.db2.gz NXJZGXRTCXKETH-UHFFFAOYSA-N 0 3 302.393 3.532 20 10 DHCDHN COc1cccc(O)c1CN(C)CCOc1cccc(Cl)c1 ZINC000768212599 1022924350 /nfs/dbraw/zinc/92/43/50/1022924350.db2.gz MNTZCFQPOGNUBW-UHFFFAOYSA-N 0 3 321.804 3.565 20 10 DHCDHN CCOc1ccc(CN(C)Cc2ccccc2OCC)c(O)c1 ZINC000768251986 1022933774 /nfs/dbraw/zinc/93/37/74/1022933774.db2.gz CSLOXPSNWALUQA-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CC[N@H+](Cc1c([O-])cccc1OC)[C@H](C)c1cccc(OC)c1 ZINC000768519816 1022979233 /nfs/dbraw/zinc/97/92/33/1022979233.db2.gz IGWRVEGQJDMXJX-CQSZACIVSA-N 0 3 315.413 3.993 20 10 DHCDHN CC[N@@H+](Cc1c([O-])cccc1OC)[C@H](C)c1cccc(OC)c1 ZINC000768519816 1022979247 /nfs/dbraw/zinc/97/92/47/1022979247.db2.gz IGWRVEGQJDMXJX-CQSZACIVSA-N 0 3 315.413 3.993 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1ccsc1Br)CC2 ZINC000296621294 1023011953 /nfs/dbraw/zinc/01/19/53/1023011953.db2.gz ZDYCPMICLHKZDN-LLVKDONJSA-N 0 3 324.243 3.993 20 10 DHCDHN CCN(CC)Cc1cccc(NCc2ccc(O)c(O)c2)c1F ZINC001169997220 1023041285 /nfs/dbraw/zinc/04/12/85/1023041285.db2.gz VZCRKZLXFAQVOE-UHFFFAOYSA-N 0 3 318.392 3.691 20 10 DHCDHN OCC[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000768946264 1023053609 /nfs/dbraw/zinc/05/36/09/1023053609.db2.gz LSHVPZFJQLLLOK-SFHVURJKSA-N 0 3 323.392 3.866 20 10 DHCDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768912646 1023055039 /nfs/dbraw/zinc/05/50/39/1023055039.db2.gz ATNOTDBFHWAYCJ-JKIFEVAISA-N 0 3 322.880 3.883 20 10 DHCDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768912646 1023055055 /nfs/dbraw/zinc/05/50/55/1023055055.db2.gz ATNOTDBFHWAYCJ-JKIFEVAISA-N 0 3 322.880 3.883 20 10 DHCDHN CC[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccccc1O ZINC000364363705 1023089194 /nfs/dbraw/zinc/08/91/94/1023089194.db2.gz OBEWZDVNMOMVNV-QUCCMNQESA-N 0 3 321.424 3.956 20 10 DHCDHN CCC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1[O-] ZINC000769201042 1023101127 /nfs/dbraw/zinc/10/11/27/1023101127.db2.gz OZEMDSNLIGNBEH-UHFFFAOYSA-N 0 3 309.413 3.761 20 10 DHCDHN CCC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1[O-] ZINC000769201042 1023101130 /nfs/dbraw/zinc/10/11/30/1023101130.db2.gz OZEMDSNLIGNBEH-UHFFFAOYSA-N 0 3 309.413 3.761 20 10 DHCDHN CCC[N@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1[O-] ZINC000769200604 1023101487 /nfs/dbraw/zinc/10/14/87/1023101487.db2.gz BWAGFGGVRAJGOZ-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN CCC[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1[O-] ZINC000769200604 1023101491 /nfs/dbraw/zinc/10/14/91/1023101491.db2.gz BWAGFGGVRAJGOZ-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000876616066 1033107193 /nfs/dbraw/zinc/10/71/93/1033107193.db2.gz RBAFLHCEQNWNBE-UHFFFAOYSA-N 0 3 321.424 3.957 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000769390350 1023139520 /nfs/dbraw/zinc/13/95/20/1023139520.db2.gz VJKVITPRKZHWIW-CQSZACIVSA-N 0 3 315.413 3.560 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000769390350 1023139524 /nfs/dbraw/zinc/13/95/24/1023139524.db2.gz VJKVITPRKZHWIW-CQSZACIVSA-N 0 3 315.413 3.560 20 10 DHCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H](SCC)C2)c1[O-] ZINC000769404082 1023140804 /nfs/dbraw/zinc/14/08/04/1023140804.db2.gz NGOYOJNWUNQSES-OAHLLOKOSA-N 0 3 309.475 3.899 20 10 DHCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H](SCC)C2)c1[O-] ZINC000769404082 1023140809 /nfs/dbraw/zinc/14/08/09/1023140809.db2.gz NGOYOJNWUNQSES-OAHLLOKOSA-N 0 3 309.475 3.899 20 10 DHCDHN CCOc1cccc(C[N@@H+]2CCCC[C@H](SCC)C2)c1[O-] ZINC000769404078 1023140936 /nfs/dbraw/zinc/14/09/36/1023140936.db2.gz NGOYOJNWUNQSES-HNNXBMFYSA-N 0 3 309.475 3.899 20 10 DHCDHN CCOc1cccc(C[N@H+]2CCCC[C@H](SCC)C2)c1[O-] ZINC000769404078 1023140939 /nfs/dbraw/zinc/14/09/39/1023140939.db2.gz NGOYOJNWUNQSES-HNNXBMFYSA-N 0 3 309.475 3.899 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000769426999 1023147154 /nfs/dbraw/zinc/14/71/54/1023147154.db2.gz XJPSIVGZKQFYQO-HNNXBMFYSA-N 0 3 315.388 3.605 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000769426999 1023147160 /nfs/dbraw/zinc/14/71/60/1023147160.db2.gz XJPSIVGZKQFYQO-HNNXBMFYSA-N 0 3 315.388 3.605 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000769396519 1023149749 /nfs/dbraw/zinc/14/97/49/1023149749.db2.gz LYAHWVOWJFLRKO-OAHLLOKOSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000769396519 1023149754 /nfs/dbraw/zinc/14/97/54/1023149754.db2.gz LYAHWVOWJFLRKO-OAHLLOKOSA-N 0 3 315.388 3.920 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000769451874 1023155790 /nfs/dbraw/zinc/15/57/90/1023155790.db2.gz NXFKHROMQQEWQB-UHFFFAOYSA-N 0 3 315.388 3.952 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000769451874 1023155793 /nfs/dbraw/zinc/15/57/93/1023155793.db2.gz NXFKHROMQQEWQB-UHFFFAOYSA-N 0 3 315.388 3.952 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000769464786 1023159286 /nfs/dbraw/zinc/15/92/86/1023159286.db2.gz ANVMVIRFNUYCII-HIFRSBDPSA-N 0 3 315.388 3.918 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000769464786 1023159293 /nfs/dbraw/zinc/15/92/93/1023159293.db2.gz ANVMVIRFNUYCII-HIFRSBDPSA-N 0 3 315.388 3.918 20 10 DHCDHN CCCN(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1O ZINC000876654814 1033114356 /nfs/dbraw/zinc/11/43/56/1033114356.db2.gz QAGCIMGTMPJTLP-UHFFFAOYSA-N 0 3 312.369 3.651 20 10 DHCDHN CCC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1[O-] ZINC000876654814 1033114362 /nfs/dbraw/zinc/11/43/62/1033114362.db2.gz QAGCIMGTMPJTLP-UHFFFAOYSA-N 0 3 312.369 3.651 20 10 DHCDHN CCC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1[O-] ZINC000876654814 1033114371 /nfs/dbraw/zinc/11/43/71/1033114371.db2.gz QAGCIMGTMPJTLP-UHFFFAOYSA-N 0 3 312.369 3.651 20 10 DHCDHN CC[C@@H](N[C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991735 1023257706 /nfs/dbraw/zinc/25/77/06/1023257706.db2.gz ZTEZGKMVXZUYLK-IAGOWNOFSA-N 0 3 304.459 3.588 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccc(C#N)cc2)cc1F ZINC000066906409 1023739285 /nfs/dbraw/zinc/73/92/85/1023739285.db2.gz NKAIDFIUYTZCRO-UHFFFAOYSA-N 0 3 311.404 3.833 20 10 DHCDHN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000787405910 1023793627 /nfs/dbraw/zinc/79/36/27/1023793627.db2.gz HEMGXUYLZIPFBF-GXDHUFHOSA-N 0 3 312.369 3.836 20 10 DHCDHN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccccc1[O-] ZINC000787405910 1023793630 /nfs/dbraw/zinc/79/36/30/1023793630.db2.gz HEMGXUYLZIPFBF-GXDHUFHOSA-N 0 3 312.369 3.836 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788260195 1023867059 /nfs/dbraw/zinc/86/70/59/1023867059.db2.gz VQXCLLMQLNXBRJ-ZBFHGGJFSA-N 0 3 301.434 3.525 20 10 DHCDHN Cc1cc(C)c([C@H](C)NCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000788646833 1023914549 /nfs/dbraw/zinc/91/45/49/1023914549.db2.gz DLDORNGFABJIKT-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c([O-])c1 ZINC000876915874 1033184649 /nfs/dbraw/zinc/18/46/49/1033184649.db2.gz ZONIZNAKVPQNML-CQSZACIVSA-N 0 3 324.424 3.900 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCOCC1 ZINC000268565067 1024128073 /nfs/dbraw/zinc/12/80/73/1024128073.db2.gz PDNXWKYKWUKNKJ-HNNXBMFYSA-N 0 3 311.425 3.964 20 10 DHCDHN CN(c1ccc(CNCc2ccncc2N)cc1)C1CCCCC1 ZINC000882940317 1024180308 /nfs/dbraw/zinc/18/03/08/1024180308.db2.gz PMXSUFRCJIWZEV-UHFFFAOYSA-N 0 3 324.472 3.723 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000876967733 1033194851 /nfs/dbraw/zinc/19/48/51/1033194851.db2.gz KECJFSUQGAIGKI-YLJYHZDGSA-N 0 3 311.425 3.958 20 10 DHCDHN COc1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1C ZINC000883398468 1024426526 /nfs/dbraw/zinc/42/65/26/1024426526.db2.gz NJQIKFLXXWFJPA-LJQANCHMSA-N 0 3 321.424 3.731 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCCOC1 ZINC000271147496 1024462257 /nfs/dbraw/zinc/46/22/57/1024462257.db2.gz BJKUILBFYHVJLX-MRXNPFEDSA-N 0 3 311.425 3.918 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCCOC1 ZINC000271147496 1024462261 /nfs/dbraw/zinc/46/22/61/1024462261.db2.gz BJKUILBFYHVJLX-MRXNPFEDSA-N 0 3 311.425 3.918 20 10 DHCDHN C[C@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271339545 1024490988 /nfs/dbraw/zinc/49/09/88/1024490988.db2.gz GMBABBKRRNGSRF-HOTGVXAUSA-N 0 3 311.425 3.964 20 10 DHCDHN CCn1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000271447421 1024509215 /nfs/dbraw/zinc/50/92/15/1024509215.db2.gz FEFJZGNXNMXRPR-MRXNPFEDSA-N 0 3 312.461 3.744 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c([O-])c1 ZINC000877042494 1033217007 /nfs/dbraw/zinc/21/70/07/1033217007.db2.gz RXJWPPHLSDYNDG-FQEVSTJZSA-N 0 3 311.425 3.958 20 10 DHCDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000792190190 1024645110 /nfs/dbraw/zinc/64/51/10/1024645110.db2.gz QXGALOLFIVNXTO-ZDUSSCGKSA-N 0 3 305.315 3.942 20 10 DHCDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000792190190 1024645116 /nfs/dbraw/zinc/64/51/16/1024645116.db2.gz QXGALOLFIVNXTO-ZDUSSCGKSA-N 0 3 305.315 3.942 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793308583 1024980011 /nfs/dbraw/zinc/98/00/11/1024980011.db2.gz HEHWBAGTDQISQT-INIZCTEOSA-N 0 3 301.361 3.707 20 10 DHCDHN COc1cccc(CN(C)Cc2ccccc2SC)c1O ZINC000279721342 1025180054 /nfs/dbraw/zinc/18/00/54/1025180054.db2.gz USHUASZVQFXCPE-UHFFFAOYSA-N 0 3 303.427 3.755 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000897459165 1025355549 /nfs/dbraw/zinc/35/55/49/1025355549.db2.gz IVFKBJCCCNHULV-ZDUSSCGKSA-N 0 3 300.358 3.502 20 10 DHCDHN Cc1ccc(CNCc2cc(Cl)cc3c2OCC3)c(O)c1 ZINC000877334477 1033286958 /nfs/dbraw/zinc/28/69/58/1033286958.db2.gz PVAUQBDDAGQBAA-UHFFFAOYSA-N 0 3 303.789 3.579 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180097 1025831532 /nfs/dbraw/zinc/83/15/32/1025831532.db2.gz JUIZUJDQKULYCO-WMLDXEAASA-N 0 3 319.832 3.862 20 10 DHCDHN CCC[N@H+](Cc1cccc(NC(C)=O)c1)Cc1ccccc1[O-] ZINC000075829105 1025851148 /nfs/dbraw/zinc/85/11/48/1025851148.db2.gz JLFSEPJEMYTYOE-UHFFFAOYSA-N 0 3 312.413 3.763 20 10 DHCDHN CCC[N@@H+](Cc1cccc(NC(C)=O)c1)Cc1ccccc1[O-] ZINC000075829105 1025851165 /nfs/dbraw/zinc/85/11/65/1025851165.db2.gz JLFSEPJEMYTYOE-UHFFFAOYSA-N 0 3 312.413 3.763 20 10 DHCDHN CCN(CC)C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729681603 1025927675 /nfs/dbraw/zinc/92/76/75/1025927675.db2.gz FGPGVOKIPPLXKP-MRXNPFEDSA-N 0 3 312.457 3.879 20 10 DHCDHN C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N(C)C1CC1 ZINC000729686099 1026025325 /nfs/dbraw/zinc/02/53/25/1026025325.db2.gz ZDAIYIHOTFWYJO-HNNXBMFYSA-N 0 3 310.441 3.632 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841746734 1026046770 /nfs/dbraw/zinc/04/67/70/1026046770.db2.gz KVVOXAJWGNSYNB-GFCCVEGCSA-N 0 3 308.853 3.713 20 10 DHCDHN Cc1cccc(CNCc2c(F)cccc2N2CCCC2)c1O ZINC000289639503 1026111267 /nfs/dbraw/zinc/11/12/67/1026111267.db2.gz XKXOXOGOFYYDBN-UHFFFAOYSA-N 0 3 314.404 3.730 20 10 DHCDHN C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190859 1026222099 /nfs/dbraw/zinc/22/20/99/1026222099.db2.gz KHRUJEJBKZXHMG-KXBFYZLASA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000808190859 1026222110 /nfs/dbraw/zinc/22/21/10/1026222110.db2.gz KHRUJEJBKZXHMG-KXBFYZLASA-N 0 3 310.441 3.604 20 10 DHCDHN COc1cc(C)cc(CNCc2ccccc2OC(F)F)c1O ZINC000894163381 1026229026 /nfs/dbraw/zinc/22/90/26/1026229026.db2.gz TXAMQNBPOAYYIF-UHFFFAOYSA-N 0 3 323.339 3.600 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000808674163 1026352951 /nfs/dbraw/zinc/35/29/51/1026352951.db2.gz OCBGGEGGHJCLQH-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000808677014 1026355044 /nfs/dbraw/zinc/35/50/44/1026355044.db2.gz OJTQJXRNPUXSGM-MAZHCROVSA-N 0 3 308.853 3.631 20 10 DHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H](O)c1ccccc1 ZINC000808719404 1026364233 /nfs/dbraw/zinc/36/42/33/1026364233.db2.gz FIROLZHLGPIFDD-FEJNDBLASA-N 0 3 315.388 3.791 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn3ccccc23)c1[O-] ZINC000808718064 1026365335 /nfs/dbraw/zinc/36/53/35/1026365335.db2.gz KNQDLYYAWRVONO-LBPRGKRZSA-N 0 3 315.804 3.853 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCNc2ccccn2)c1[O-] ZINC000808698958 1026374958 /nfs/dbraw/zinc/37/49/58/1026374958.db2.gz NXCHRPIMKOUMMA-LBPRGKRZSA-N 0 3 305.809 3.512 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1ccc(C)cc1[O-] ZINC000279975856 1026478982 /nfs/dbraw/zinc/47/89/82/1026478982.db2.gz DHVZIZOBYQFQJC-ZXHZAXBBSA-N 0 3 323.502 3.821 20 10 DHCDHN CCc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809689612 1026594764 /nfs/dbraw/zinc/59/47/64/1026594764.db2.gz RXTGGFHBMHRINS-QGZVFWFLSA-N 0 3 319.832 3.740 20 10 DHCDHN CCc1cccc(Cl)c1CNCc1cccc(OC)c1O ZINC000809739717 1026611378 /nfs/dbraw/zinc/61/13/78/1026611378.db2.gz BWYRDWIFRNLAPP-UHFFFAOYSA-N 0 3 305.805 3.906 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(C)cc1[O-] ZINC000280291844 1026626666 /nfs/dbraw/zinc/62/66/66/1026626666.db2.gz ZGOKZMRMVNHTGS-QGZVFWFLSA-N 0 3 322.412 3.522 20 10 DHCDHN CN(C)c1ccc(CN(C)Cc2ccccc2N(C)C)cc1F ZINC000809788324 1026628006 /nfs/dbraw/zinc/62/80/06/1026628006.db2.gz QOQGAIWEUCXKSM-UHFFFAOYSA-N 0 3 315.436 3.590 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000280302089 1026633087 /nfs/dbraw/zinc/63/30/87/1026633087.db2.gz ZYSKRRFFSZYABX-AEFFLSMTSA-N 0 3 303.377 3.614 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214302 1026707165 /nfs/dbraw/zinc/70/71/65/1026707165.db2.gz UXSDZBLWOXMJOT-FZMZJTMJSA-N 0 3 318.383 3.792 20 10 DHCDHN COc1cccc(C2(C[NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000810239956 1026726271 /nfs/dbraw/zinc/72/62/71/1026726271.db2.gz KWFIFJDGTYSVMP-ZDUSSCGKSA-N 0 3 315.388 3.922 20 10 DHCDHN COc1cc(Cl)cc(CN2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000811513522 1027028817 /nfs/dbraw/zinc/02/88/17/1027028817.db2.gz JVEGUEIANKNWOH-INIZCTEOSA-N 0 3 307.821 3.819 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1[O-] ZINC000811513522 1027028821 /nfs/dbraw/zinc/02/88/21/1027028821.db2.gz JVEGUEIANKNWOH-INIZCTEOSA-N 0 3 307.821 3.819 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1[O-] ZINC000811513522 1027028827 /nfs/dbraw/zinc/02/88/27/1027028827.db2.gz JVEGUEIANKNWOH-INIZCTEOSA-N 0 3 307.821 3.819 20 10 DHCDHN COc1cc(O)c(CN[C@@H](C)c2ccccc2Cl)cc1OC ZINC000271794210 1027146466 /nfs/dbraw/zinc/14/64/66/1027146466.db2.gz HQAYDPBYTVWIEP-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000931554148 1027168236 /nfs/dbraw/zinc/16/82/36/1027168236.db2.gz LVEIJDHLYBQQKQ-UHIISALHSA-N 0 3 303.324 3.543 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000931554144 1027169218 /nfs/dbraw/zinc/16/92/18/1027169218.db2.gz LVEIJDHLYBQQKQ-SUNKGSAMSA-N 0 3 303.324 3.543 20 10 DHCDHN CN(C)c1ccc(CN2CCC(F)(c3ccccn3)CC2)cc1 ZINC000295308704 1027192474 /nfs/dbraw/zinc/19/24/74/1027192474.db2.gz KSPFWZIYOMCYMZ-UHFFFAOYSA-N 0 3 313.420 3.608 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+](C(C)C)[C@H]3CCOC3)c2c1 ZINC000812290675 1027235657 /nfs/dbraw/zinc/23/56/57/1027235657.db2.gz FOMVPJDSQOGDDF-HNNXBMFYSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C(C)C)[C@H]3CCOC3)c2c1 ZINC000812290675 1027235672 /nfs/dbraw/zinc/23/56/72/1027235672.db2.gz FOMVPJDSQOGDDF-HNNXBMFYSA-N 0 3 315.413 3.553 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706699 1027642945 /nfs/dbraw/zinc/64/29/45/1027642945.db2.gz KOOXSSGCSYORCT-HNNXBMFYSA-N 0 3 303.352 3.660 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706699 1027642951 /nfs/dbraw/zinc/64/29/51/1027642951.db2.gz KOOXSSGCSYORCT-HNNXBMFYSA-N 0 3 303.352 3.660 20 10 DHCDHN CN(C)c1ccc(C[N@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000778995791 1027733220 /nfs/dbraw/zinc/73/32/20/1027733220.db2.gz IXDAXUNEDUKIJE-UHFFFAOYSA-N 0 3 314.404 3.762 20 10 DHCDHN CN(C)c1ccc(C[N@@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000778995791 1027733237 /nfs/dbraw/zinc/73/32/37/1027733237.db2.gz IXDAXUNEDUKIJE-UHFFFAOYSA-N 0 3 314.404 3.762 20 10 DHCDHN CCN(Cc1cc(F)ccc1O)Cc1ccc(OC)cc1OC ZINC000778996233 1027746247 /nfs/dbraw/zinc/74/62/47/1027746247.db2.gz KFIJHOOVENUHJW-UHFFFAOYSA-N 0 3 319.376 3.571 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000813877249 1027747820 /nfs/dbraw/zinc/74/78/20/1027747820.db2.gz PKASCWAGIPOBRI-RISCZKNCSA-N 0 3 318.383 3.649 20 10 DHCDHN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779009028 1027771280 /nfs/dbraw/zinc/77/12/80/1027771280.db2.gz HZAJEWXRPGWDIO-MRXNPFEDSA-N 0 3 301.361 3.877 20 10 DHCDHN COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779009028 1027771295 /nfs/dbraw/zinc/77/12/95/1027771295.db2.gz HZAJEWXRPGWDIO-MRXNPFEDSA-N 0 3 301.361 3.877 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)CC2 ZINC000297083235 1027794248 /nfs/dbraw/zinc/79/42/48/1027794248.db2.gz WXKFBUFGHZTVJK-OAHLLOKOSA-N 0 3 319.351 3.813 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccccc1[O-] ZINC000364380890 1027818576 /nfs/dbraw/zinc/81/85/76/1027818576.db2.gz SLLXFDDIRKBGDH-RDJZCZTQSA-N 0 3 313.445 3.768 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000779018568 1027836876 /nfs/dbraw/zinc/83/68/76/1027836876.db2.gz BBTZBCUBEQWOBU-QGZVFWFLSA-N 0 3 303.402 3.821 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000779018568 1027836890 /nfs/dbraw/zinc/83/68/90/1027836890.db2.gz BBTZBCUBEQWOBU-QGZVFWFLSA-N 0 3 303.402 3.821 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000779020634 1027854325 /nfs/dbraw/zinc/85/43/25/1027854325.db2.gz NSKLWRNNSLNVSV-CQSZACIVSA-N 0 3 303.352 3.735 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000779020634 1027854339 /nfs/dbraw/zinc/85/43/39/1027854339.db2.gz NSKLWRNNSLNVSV-CQSZACIVSA-N 0 3 303.352 3.735 20 10 DHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000365001410 1027897090 /nfs/dbraw/zinc/89/70/90/1027897090.db2.gz MZFVLFULSBVBON-MRXNPFEDSA-N 0 3 300.377 3.826 20 10 DHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000365001410 1027897104 /nfs/dbraw/zinc/89/71/04/1027897104.db2.gz MZFVLFULSBVBON-MRXNPFEDSA-N 0 3 300.377 3.826 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1[O-] ZINC000527947018 1027978021 /nfs/dbraw/zinc/97/80/21/1027978021.db2.gz JMEXIWPABBEMSC-SJLPKXTDSA-N 0 3 302.462 3.840 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC12CC(C1)CO2 ZINC000527985128 1028046998 /nfs/dbraw/zinc/04/69/98/1028046998.db2.gz YTGGCYVKYSCJGV-MOMVYJMYSA-N 0 3 323.436 3.835 20 10 DHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170759262 1028160661 /nfs/dbraw/zinc/16/06/61/1028160661.db2.gz BDPCSQBZRKOOIU-WVJCCSTMSA-N 0 3 324.468 3.980 20 10 DHCDHN CC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000367639677 1028219484 /nfs/dbraw/zinc/21/94/84/1028219484.db2.gz WORVVELCMMHYEB-VMBOVVBDSA-N 0 3 306.425 3.589 20 10 DHCDHN CCOc1cccc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)c1O ZINC000367958429 1028266141 /nfs/dbraw/zinc/26/61/41/1028266141.db2.gz QYWZZCNUKLBLCQ-APPDUMDISA-N 0 3 317.360 3.542 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000368815696 1028411329 /nfs/dbraw/zinc/41/13/29/1028411329.db2.gz GEDJBJRUEKEWKL-OAQYLSRUSA-N 0 3 319.404 3.985 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000368815696 1028411336 /nfs/dbraw/zinc/41/13/36/1028411336.db2.gz GEDJBJRUEKEWKL-OAQYLSRUSA-N 0 3 319.404 3.985 20 10 DHCDHN C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555174 1028541492 /nfs/dbraw/zinc/54/14/92/1028541492.db2.gz RMMOLJJHXLECPW-GFCCVEGCSA-N 0 3 316.367 3.548 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369878253 1028541692 /nfs/dbraw/zinc/54/16/92/1028541692.db2.gz OWVHLWKADCBOTI-IEBWSBKVSA-N 0 3 315.388 3.576 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000369878253 1028541707 /nfs/dbraw/zinc/54/17/07/1028541707.db2.gz OWVHLWKADCBOTI-IEBWSBKVSA-N 0 3 315.388 3.576 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@@H](c2ccsc2)C1 ZINC000369928993 1028547428 /nfs/dbraw/zinc/54/74/28/1028547428.db2.gz GFCAPGQSFIOAQB-NVXWUHKLSA-N 0 3 303.427 3.978 20 10 DHCDHN C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N(C)C ZINC000815575987 1028551045 /nfs/dbraw/zinc/55/10/45/1028551045.db2.gz GOROEXUHQOCWJT-APWZRJJASA-N 0 3 312.457 3.606 20 10 DHCDHN COc1ccncc1CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000815628511 1028576296 /nfs/dbraw/zinc/57/62/96/1028576296.db2.gz CFHWBPITOIMMSF-NSHDSACASA-N 0 3 306.793 3.608 20 10 DHCDHN COCC1(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642347 1028588693 /nfs/dbraw/zinc/58/86/93/1028588693.db2.gz ZMQXVBPPNGWBME-OCCSQVGLSA-N 0 3 307.409 3.876 20 10 DHCDHN CCCOc1ccc(C[NH+]2CCC(OCC3CC3)CC2)c([O-])c1 ZINC000371333394 1028693065 /nfs/dbraw/zinc/69/30/65/1028693065.db2.gz DHZORWHZDWRKTI-UHFFFAOYSA-N 0 3 319.445 3.572 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000372595210 1028872632 /nfs/dbraw/zinc/87/26/32/1028872632.db2.gz OVLKJTMUCCPYMP-PKOBYXMFSA-N 0 3 313.397 3.622 20 10 DHCDHN CCc1nocc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000816508659 1028911564 /nfs/dbraw/zinc/91/15/64/1028911564.db2.gz RAGHKQGWNDYRTA-UHFFFAOYSA-N 0 3 300.402 3.887 20 10 DHCDHN CCc1nocc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000816508659 1028911575 /nfs/dbraw/zinc/91/15/75/1028911575.db2.gz RAGHKQGWNDYRTA-UHFFFAOYSA-N 0 3 300.402 3.887 20 10 DHCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC000816515423 1028913851 /nfs/dbraw/zinc/91/38/51/1028913851.db2.gz ZAVMQGIETWDRLE-KXBFYZLASA-N 0 3 312.457 3.708 20 10 DHCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC000816515423 1028913892 /nfs/dbraw/zinc/91/38/92/1028913892.db2.gz ZAVMQGIETWDRLE-KXBFYZLASA-N 0 3 312.457 3.708 20 10 DHCDHN CC[N@H+](CCCN1CCCC1)Cc1ccc2ccccc2c1[O-] ZINC000816610990 1028958695 /nfs/dbraw/zinc/95/86/95/1028958695.db2.gz FCOMUJADPNITRM-UHFFFAOYSA-N 0 3 312.457 3.853 20 10 DHCDHN CC[N@@H+](CCCN1CCCC1)Cc1ccc2ccccc2c1[O-] ZINC000816610990 1028958701 /nfs/dbraw/zinc/95/87/01/1028958701.db2.gz FCOMUJADPNITRM-UHFFFAOYSA-N 0 3 312.457 3.853 20 10 DHCDHN C[C@@H](F)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816643881 1028971300 /nfs/dbraw/zinc/97/13/00/1028971300.db2.gz UFNYXPAJVNHYLE-CQSZACIVSA-N 0 3 303.377 3.809 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972317 1029312130 /nfs/dbraw/zinc/31/21/30/1029312130.db2.gz WBAAPGBMVPMASJ-JIMOISOXSA-N 0 3 317.260 3.738 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985281 1029323522 /nfs/dbraw/zinc/32/35/22/1029323522.db2.gz IWPRUZDGNWUJJL-DOMZBBRYSA-N 0 3 308.853 3.761 20 10 DHCDHN C[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000818356441 1029384154 /nfs/dbraw/zinc/38/41/54/1029384154.db2.gz JGUIZDGZWMNHBZ-CYBMUJFWSA-N 0 3 307.434 3.801 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865781681 1030021500 /nfs/dbraw/zinc/02/15/00/1030021500.db2.gz FTCSHESPGPADKJ-WCQYABFASA-N 0 3 315.335 3.635 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cnn(C2CCC2)c1 ZINC000924872035 1030214369 /nfs/dbraw/zinc/21/43/69/1030214369.db2.gz QELUAJAVXOPYEI-HNNXBMFYSA-N 0 3 324.472 3.841 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c([O-])c1 ZINC000866641844 1030417886 /nfs/dbraw/zinc/41/78/86/1030417886.db2.gz WTHXKHOSIKGQHW-ZDUSSCGKSA-N 0 3 312.413 3.531 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000824469105 1030566350 /nfs/dbraw/zinc/56/63/50/1030566350.db2.gz WTARXCNHQRTNTH-MRXNPFEDSA-N 0 3 307.315 3.977 20 10 DHCDHN COc1cccc(O)c1CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000824468118 1030567009 /nfs/dbraw/zinc/56/70/09/1030567009.db2.gz CGFWPFKJCKCUDB-INIZCTEOSA-N 0 3 319.351 3.846 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000824468118 1030567013 /nfs/dbraw/zinc/56/70/13/1030567013.db2.gz CGFWPFKJCKCUDB-INIZCTEOSA-N 0 3 319.351 3.846 20 10 DHCDHN Cc1ccc(O)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291801663 1030650275 /nfs/dbraw/zinc/65/02/75/1030650275.db2.gz XGGQJPMQQPLLLI-UHFFFAOYSA-N 0 3 300.358 3.634 20 10 DHCDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856243 1030654246 /nfs/dbraw/zinc/65/42/46/1030654246.db2.gz UKZTVLQZXCAQCB-XJKSGUPXSA-N 0 3 310.869 3.516 20 10 DHCDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856243 1030654249 /nfs/dbraw/zinc/65/42/49/1030654249.db2.gz UKZTVLQZXCAQCB-XJKSGUPXSA-N 0 3 310.869 3.516 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1[O-] ZINC000824942076 1030676545 /nfs/dbraw/zinc/67/65/45/1030676545.db2.gz VROLLFJJLLXLGW-GOEBONIOSA-N 0 3 307.821 3.675 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1[O-] ZINC000824942076 1030676556 /nfs/dbraw/zinc/67/65/56/1030676556.db2.gz VROLLFJJLLXLGW-GOEBONIOSA-N 0 3 307.821 3.675 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1[O-] ZINC000825090542 1030725305 /nfs/dbraw/zinc/72/53/05/1030725305.db2.gz BMILHDIEHFTBAU-IDHHARJASA-N 0 3 312.413 3.748 20 10 DHCDHN COc1cc(CNCc2ccc(N(C)C)cc2)ccc1Cl ZINC000825144752 1030736074 /nfs/dbraw/zinc/73/60/74/1030736074.db2.gz QJYVUGQKVNYPTA-UHFFFAOYSA-N 0 3 304.821 3.704 20 10 DHCDHN CCc1nc(C)c(CN[C@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000292008395 1030756823 /nfs/dbraw/zinc/75/68/23/1030756823.db2.gz YKEKKGIVMAPJMX-GFCCVEGCSA-N 0 3 314.429 3.981 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926904983 1030981714 /nfs/dbraw/zinc/98/17/14/1030981714.db2.gz KNULWSYKBVCNCD-PXWWUCIGSA-N 0 3 321.314 3.682 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926917247 1030990034 /nfs/dbraw/zinc/99/00/34/1030990034.db2.gz SZZGXJYQIVALIJ-CHIMOYNISA-N 0 3 321.314 3.682 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000927069808 1031070988 /nfs/dbraw/zinc/07/09/88/1031070988.db2.gz NEPACDTWBWZSPP-AYBZRNKSSA-N 0 3 303.446 3.947 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c([O-])c1 ZINC000872261068 1031564047 /nfs/dbraw/zinc/56/40/47/1031564047.db2.gz ZBGDYXWLZOXSBF-KRWDZBQOSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c([O-])c1 ZINC000872261068 1031564058 /nfs/dbraw/zinc/56/40/58/1031564058.db2.gz ZBGDYXWLZOXSBF-KRWDZBQOSA-N 0 3 319.445 3.715 20 10 DHCDHN COc1ccc(CNCc2ccccc2C)cc1Cn1cccn1 ZINC000873007759 1031691320 /nfs/dbraw/zinc/69/13/20/1031691320.db2.gz DSVKLQWGYDIXEO-UHFFFAOYSA-N 0 3 321.424 3.538 20 10 DHCDHN Cc1cc(O)c(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000873184649 1031745338 /nfs/dbraw/zinc/74/53/38/1031745338.db2.gz VTHKOSDFJZXEHE-CYBMUJFWSA-N 0 3 300.358 3.768 20 10 DHCDHN CN1CCCc2cc(CNCc3cc4cnccc4o3)ccc21 ZINC000845928853 1031780514 /nfs/dbraw/zinc/78/05/14/1031780514.db2.gz PEWIBFISXUHTAA-UHFFFAOYSA-N 0 3 307.397 3.500 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)c1[O-] ZINC000873291774 1031793633 /nfs/dbraw/zinc/79/36/33/1031793633.db2.gz XRXFXSBZJDRAEZ-JTQLQIEISA-N 0 3 308.784 3.926 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1OC ZINC000845990970 1031795535 /nfs/dbraw/zinc/79/55/35/1031795535.db2.gz SJXXDHVNKPFROZ-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccc(C)cc2OC)c1O ZINC000846148903 1031882986 /nfs/dbraw/zinc/88/29/86/1031882986.db2.gz IIUOOJCVABITCE-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1cccc([C@@H](C)NCc2cc(C)cc(Cl)n2)c1O ZINC000846168353 1031896551 /nfs/dbraw/zinc/89/65/51/1031896551.db2.gz SRROTGVPCHEDMF-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN C[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846207229 1031909321 /nfs/dbraw/zinc/90/93/21/1031909321.db2.gz MDHJHXAJNCPPCK-QAPCUYQASA-N 0 3 321.424 3.760 20 10 DHCDHN Cc1cccc(O)c1CNCc1c(F)cccc1N1CCCC1 ZINC000877513096 1033330868 /nfs/dbraw/zinc/33/08/68/1033330868.db2.gz KZCVZERGSXRNKS-UHFFFAOYSA-N 0 3 314.404 3.730 20 10 DHCDHN COC[C@@H](NCc1ccc(C)cc1O)c1cccc(Cl)c1 ZINC000877537074 1033344449 /nfs/dbraw/zinc/34/44/49/1033344449.db2.gz GYBJKFRMMIFPMQ-MRXNPFEDSA-N 0 3 305.805 3.831 20 10 DHCDHN Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c([O-])c1 ZINC000877576238 1033365397 /nfs/dbraw/zinc/36/53/97/1033365397.db2.gz GOCJTZVJQOWJSJ-UHFFFAOYSA-N 0 3 323.436 3.765 20 10 DHCDHN Cc1c(Br)cncc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756022 1033434184 /nfs/dbraw/zinc/43/41/84/1033434184.db2.gz ZCMFRUJIZYMLOS-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000877757217 1033434691 /nfs/dbraw/zinc/43/46/91/1033434691.db2.gz OWZLDLRCJWVCKN-CABCVRRESA-N 0 3 312.413 3.769 20 10 DHCDHN COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1O ZINC000877758209 1033435888 /nfs/dbraw/zinc/43/58/88/1033435888.db2.gz NBEVRPCMBJNFAY-KGLIPLIRSA-N 0 3 315.413 3.778 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(OC(F)F)c1 ZINC000877757127 1033436119 /nfs/dbraw/zinc/43/61/19/1033436119.db2.gz IEVLSERJNLEHKL-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756607 1033436162 /nfs/dbraw/zinc/43/61/62/1033436162.db2.gz XKOXVRNOQYCTLB-ZIAGYGMSSA-N 0 3 309.413 3.940 20 10 DHCDHN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000877834953 1033481688 /nfs/dbraw/zinc/48/16/88/1033481688.db2.gz BSBCWGLWIAGFJD-SFHVURJKSA-N 0 3 311.425 3.652 20 10 DHCDHN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000877834953 1033481694 /nfs/dbraw/zinc/48/16/94/1033481694.db2.gz BSBCWGLWIAGFJD-SFHVURJKSA-N 0 3 311.425 3.652 20 10 DHCDHN [O-]c1cc(O)ccc1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173196727 1033587768 /nfs/dbraw/zinc/58/77/68/1033587768.db2.gz VMYJVTDJEYHLPE-UHFFFAOYSA-N 0 3 313.397 3.578 20 10 DHCDHN COc1ccc([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)cc1F ZINC000862540171 1033879781 /nfs/dbraw/zinc/87/97/81/1033879781.db2.gz APPRPHWNUIQHLN-AWEZNQCLSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1ccc([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cc1F ZINC000862540171 1033879798 /nfs/dbraw/zinc/87/97/98/1033879798.db2.gz APPRPHWNUIQHLN-AWEZNQCLSA-N 0 3 301.361 3.529 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000879648712 1034071219 /nfs/dbraw/zinc/07/12/19/1034071219.db2.gz AHQGHHZCHLWZFQ-CABCVRRESA-N 0 3 312.413 3.687 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(C)cc1 ZINC000879650226 1034073553 /nfs/dbraw/zinc/07/35/53/1034073553.db2.gz QJHDIRWPYGSJEC-YOEHRIQHSA-N 0 3 312.413 3.769 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1F ZINC000879651982 1034075801 /nfs/dbraw/zinc/07/58/01/1034075801.db2.gz RTQKCVVDSJJASA-STQMWFEESA-N 0 3 316.376 3.518 20 10 DHCDHN CC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863548000 1034127388 /nfs/dbraw/zinc/12/73/88/1034127388.db2.gz SZDVOEKJWHVARL-NRUUGDAUSA-N 0 3 317.260 3.880 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000183439888 1034384511 /nfs/dbraw/zinc/38/45/11/1034384511.db2.gz XQJBBTIHEBQUTL-CJNGLKHVSA-N 0 3 313.397 3.965 20 10 DHCDHN C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1[O-] ZINC000183413850 1034384859 /nfs/dbraw/zinc/38/48/59/1034384859.db2.gz YPSLKKVETJKBLQ-KRWDZBQOSA-N 0 3 324.468 3.750 20 10 DHCDHN CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183518117 1034397611 /nfs/dbraw/zinc/39/76/11/1034397611.db2.gz SOFOLKSRIJLRLL-AUUYWEPGSA-N 0 3 315.413 3.564 20 10 DHCDHN CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794798540 1034467807 /nfs/dbraw/zinc/46/78/07/1034467807.db2.gz VTNUSUFUZYCWQL-CQSZACIVSA-N 0 3 318.383 3.626 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000794800559 1034469734 /nfs/dbraw/zinc/46/97/34/1034469734.db2.gz DBRUBLNEMPWHMS-MAUKXSAKSA-N 0 3 324.424 3.547 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794794325 1034474767 /nfs/dbraw/zinc/47/47/67/1034474767.db2.gz LWUSTEPWQNWBHI-GDBMZVCRSA-N 0 3 313.397 3.581 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794805563 1034491727 /nfs/dbraw/zinc/49/17/27/1034491727.db2.gz XGCDWAOABFEBAE-IEBWSBKVSA-N 0 3 313.441 3.999 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000184885110 1034507186 /nfs/dbraw/zinc/50/71/86/1034507186.db2.gz XDAJMMAFDVGKTA-GJZGRUSLSA-N 0 3 322.412 3.693 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c([O-])c1 ZINC000184911351 1034513484 /nfs/dbraw/zinc/51/34/84/1034513484.db2.gz PVAHBOOQWACSKO-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccc(C)cc1[O-] ZINC000794817215 1034534921 /nfs/dbraw/zinc/53/49/21/1034534921.db2.gz NWTAAQXMSIIXAQ-NVXWUHKLSA-N 0 3 305.462 3.930 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1[O-] ZINC000185209059 1034536064 /nfs/dbraw/zinc/53/60/64/1034536064.db2.gz XNEFDKUVZAVIAZ-IBGZPJMESA-N 0 3 321.424 3.878 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794818516 1034536874 /nfs/dbraw/zinc/53/68/74/1034536874.db2.gz XFRXLJZKAOBEKE-PKOBYXMFSA-N 0 3 313.441 3.653 20 10 DHCDHN CCOc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1OC ZINC000185453157 1034548627 /nfs/dbraw/zinc/54/86/27/1034548627.db2.gz FUVUAKFHSUPRTB-GFCCVEGCSA-N 0 3 319.376 3.789 20 10 DHCDHN CCOc1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1OC ZINC000185452948 1034548930 /nfs/dbraw/zinc/54/89/30/1034548930.db2.gz JMHBKGUCYWJJEB-CQSZACIVSA-N 0 3 315.413 3.959 20 10 DHCDHN Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000794830131 1034551465 /nfs/dbraw/zinc/55/14/65/1034551465.db2.gz ZEDQOERTFIGBGO-XHDPSFHLSA-N 0 3 300.377 3.615 20 10 DHCDHN C[C@@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185840621 1034580093 /nfs/dbraw/zinc/58/00/93/1034580093.db2.gz KEXDXIKBPLYUFZ-PGUXBMHVSA-N 0 3 309.406 3.756 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cncc(OC)c2C)cc1 ZINC000865418472 1034637148 /nfs/dbraw/zinc/63/71/48/1034637148.db2.gz LYBPVYWYHYUVNK-UHFFFAOYSA-N 0 3 313.445 3.535 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cc(F)ccc1[O-] ZINC000186507816 1034639241 /nfs/dbraw/zinc/63/92/41/1034639241.db2.gz PEBURNONXVMMRZ-LBPRGKRZSA-N 0 3 318.392 3.954 20 10 DHCDHN CCN(C)c1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000773754920 1035436610 /nfs/dbraw/zinc/43/66/10/1035436610.db2.gz PRTNYPBKBPKWPU-UHFFFAOYSA-N 0 3 300.368 3.917 20 10 DHCDHN COc1ccc(N2CCN(CCCCC(C)C)CC2)cc1F ZINC001179975604 1035551725 /nfs/dbraw/zinc/55/17/25/1035551725.db2.gz YRTVHWJLEFGYCF-UHFFFAOYSA-N 0 3 308.441 3.783 20 10 DHCDHN CCN(C)c1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000773839068 1035597699 /nfs/dbraw/zinc/59/76/99/1035597699.db2.gz LXZGHGNGKSXHTO-HNNXBMFYSA-N 0 3 300.450 3.771 20 10 DHCDHN COCC[C@@H](NCc1cc(C(C)C)ccc1O)c1ccco1 ZINC001180317728 1035639714 /nfs/dbraw/zinc/63/97/14/1035639714.db2.gz MWUSUFLWGWVKKR-MRXNPFEDSA-N 0 3 303.402 3.976 20 10 DHCDHN C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC001180565486 1035717629 /nfs/dbraw/zinc/71/76/29/1035717629.db2.gz DGBNSISIRFNFEJ-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC001180565486 1035717650 /nfs/dbraw/zinc/71/76/50/1035717650.db2.gz DGBNSISIRFNFEJ-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN Cc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c([O-])c1 ZINC001181575204 1035943368 /nfs/dbraw/zinc/94/33/68/1035943368.db2.gz FTJMNCKZFDQTKV-UHFFFAOYSA-N 0 3 314.404 3.552 20 10 DHCDHN Cc1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)c([O-])c1 ZINC001181575204 1035943390 /nfs/dbraw/zinc/94/33/90/1035943390.db2.gz FTJMNCKZFDQTKV-UHFFFAOYSA-N 0 3 314.404 3.552 20 10 DHCDHN COc1ccc(C[N@H+](C)Cc2cccc3cccnc32)c([O-])c1 ZINC001203627740 1037259911 /nfs/dbraw/zinc/25/99/11/1037259911.db2.gz MRQRKTNQQSWKRS-UHFFFAOYSA-N 0 3 308.381 3.581 20 10 DHCDHN COc1ccc(C[N@@H+](C)Cc2cccc3cccnc32)c([O-])c1 ZINC001203627740 1037259928 /nfs/dbraw/zinc/25/99/28/1037259928.db2.gz MRQRKTNQQSWKRS-UHFFFAOYSA-N 0 3 308.381 3.581 20 10 DHCDHN Cc1cc(CNCc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000163624690 1037640123 /nfs/dbraw/zinc/64/01/23/1037640123.db2.gz OUJPMQNAKVVFQQ-UHFFFAOYSA-N 0 3 316.470 3.739 20 10 DHCDHN Cc1cccc(CNCc2ccc(Br)cc2F)c1O ZINC000776187573 1037683147 /nfs/dbraw/zinc/68/31/47/1037683147.db2.gz JCXXYLNZGGXHOJ-UHFFFAOYSA-N 0 3 324.193 3.892 20 10 DHCDHN CCCn1cc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC001202066087 1037998922 /nfs/dbraw/zinc/99/89/22/1037998922.db2.gz KHVYDXCDGXAGIM-CQSZACIVSA-N 0 3 300.450 3.518 20 10 DHCDHN COc1cc(C)cc(CN(Cc2cccs2)C2CC2)c1O ZINC000163936525 1038025454 /nfs/dbraw/zinc/02/54/54/1038025454.db2.gz NXEPASMRPLIXLW-UHFFFAOYSA-N 0 3 303.427 3.935 20 10 DHCDHN CCOc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)c([O-])c1 ZINC000776252500 1038073729 /nfs/dbraw/zinc/07/37/29/1038073729.db2.gz BYQWMBSMTQWECA-UHFFFAOYSA-N 0 3 307.434 3.617 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1[O-] ZINC000776253738 1038075204 /nfs/dbraw/zinc/07/52/04/1038075204.db2.gz PWLQVUIDVFBQBE-MRXNPFEDSA-N 0 3 302.805 3.990 20 10 DHCDHN CCCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000156666931 1038178157 /nfs/dbraw/zinc/17/81/57/1038178157.db2.gz RBHQFUAQZNLJJJ-HNNXBMFYSA-N 0 3 313.445 3.787 20 10 DHCDHN COc1ccc(N2CCN(Cc3ccccc3C)CC2)c(C)c1 ZINC001203708052 1038186464 /nfs/dbraw/zinc/18/64/64/1038186464.db2.gz DIWPIGXJSHPTPJ-UHFFFAOYSA-N 0 3 310.441 3.634 20 10 DHCDHN C[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361758 1038273767 /nfs/dbraw/zinc/27/37/67/1038273767.db2.gz FWFDEMPJFFQSSS-HNNXBMFYSA-N 0 3 320.440 3.994 20 10 DHCDHN CCn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000156776176 1038282628 /nfs/dbraw/zinc/28/26/28/1038282628.db2.gz XJCNTHBKRAFXNU-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CCn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000156776176 1038282632 /nfs/dbraw/zinc/28/26/32/1038282632.db2.gz XJCNTHBKRAFXNU-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775520043 1038621643 /nfs/dbraw/zinc/62/16/43/1038621643.db2.gz PGBWJJVEYAXLIB-INIZCTEOSA-N 0 3 310.869 3.959 20 10 DHCDHN CC[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC000775522201 1038626040 /nfs/dbraw/zinc/62/60/40/1038626040.db2.gz MAEOBEUMVFLYAI-ZBFHGGJFSA-N 0 3 313.397 3.663 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1[O-] ZINC000775525908 1038643811 /nfs/dbraw/zinc/64/38/11/1038643811.db2.gz OTMHKLFKBBPQGP-LQKXBSAESA-N 0 3 309.500 3.813 20 10 DHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000174375190 1040624310 /nfs/dbraw/zinc/62/43/10/1040624310.db2.gz FLWQGPPRSGVGFZ-HNNXBMFYSA-N 0 3 312.413 3.631 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccc(OC)c1O ZINC000092705022 185334397 /nfs/dbraw/zinc/33/43/97/185334397.db2.gz NNLQWUUOBGELBV-UHFFFAOYSA-N 0 3 301.386 3.519 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccc(OC)c1O ZINC000092705022 185334398 /nfs/dbraw/zinc/33/43/98/185334398.db2.gz NNLQWUUOBGELBV-UHFFFAOYSA-N 0 3 301.386 3.519 20 10 DHCDHN COc1ccc(CN(C)Cc2ccccc2O)c(OC(F)F)c1 ZINC000091956604 193132563 /nfs/dbraw/zinc/13/25/63/193132563.db2.gz PMDJPAYWBIVRNH-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000273537039 130133216 /nfs/dbraw/zinc/13/32/16/130133216.db2.gz XQHRVAJHUJVBQK-LSDHHAIUSA-N 0 3 321.486 3.796 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000273571709 130139082 /nfs/dbraw/zinc/13/90/82/130139082.db2.gz KXFZKWQWBWPQKQ-GFCCVEGCSA-N 0 3 308.853 3.713 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273609085 130142837 /nfs/dbraw/zinc/14/28/37/130142837.db2.gz VCTKPEGUWMVMMS-UONOGXRCSA-N 0 3 324.424 3.631 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c([O-])c1C ZINC000273606697 130143105 /nfs/dbraw/zinc/14/31/05/130143105.db2.gz UHUPEYGKNSYMJP-ZDUSSCGKSA-N 0 3 304.821 3.951 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000275059189 130288479 /nfs/dbraw/zinc/28/84/79/130288479.db2.gz PAFGUEOBIIFJEJ-LPHOPBHVSA-N 0 3 311.425 3.700 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCSC2)c1[O-] ZINC000275158287 130295161 /nfs/dbraw/zinc/29/51/61/130295161.db2.gz AAOIKRLMQYYGAT-ONGXEEELSA-N 0 3 316.264 3.619 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1F ZINC000283990345 131038665 /nfs/dbraw/zinc/03/86/65/131038665.db2.gz HGWYHTAPIGTQLD-SFHVURJKSA-N 0 3 314.404 3.765 20 10 DHCDHN Cc1cc(C)n(CCC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])n1 ZINC000284083662 131047358 /nfs/dbraw/zinc/04/73/58/131047358.db2.gz LXPBZCYDVFHIKK-MRXNPFEDSA-N 0 3 301.434 3.563 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000284195566 131057299 /nfs/dbraw/zinc/05/72/99/131057299.db2.gz RWLOFQOGFPJIHT-GUYCJALGSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c([O-])c1 ZINC000284872466 131118788 /nfs/dbraw/zinc/11/87/88/131118788.db2.gz AYWIPXKOSZPOQI-ZDUSSCGKSA-N 0 3 304.821 3.951 20 10 DHCDHN COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000286375052 131233062 /nfs/dbraw/zinc/23/30/62/131233062.db2.gz AINQRGYTRMQQKC-ZDUSSCGKSA-N 0 3 314.385 3.730 20 10 DHCDHN C[C@H](N[C@@H]1CCc2cccc(O)c21)c1nccn1-c1ccccc1 ZINC000297473600 132017212 /nfs/dbraw/zinc/01/72/12/132017212.db2.gz YSRMJSHMOTYEFG-WMLDXEAASA-N 0 3 319.408 3.916 20 10 DHCDHN CCOc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)ccc1OC ZINC000297498179 132019224 /nfs/dbraw/zinc/01/92/24/132019224.db2.gz BVHPLPKLPAVEHI-HNNXBMFYSA-N 0 3 313.397 3.577 20 10 DHCDHN C[C@H](NCc1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000128933465 332015818 /nfs/dbraw/zinc/01/58/18/332015818.db2.gz ICLBLODCFWGAMS-INIZCTEOSA-N 0 3 320.440 3.789 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c([O-])c1 ZINC000293898610 335115573 /nfs/dbraw/zinc/11/55/73/335115573.db2.gz WINRCNQGFRKZSL-CXAGYDPISA-N 0 3 303.377 3.532 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000293816340 335117370 /nfs/dbraw/zinc/11/73/70/335117370.db2.gz FMPZVVGCDCJYAS-GOSISDBHSA-N 0 3 315.388 3.525 20 10 DHCDHN Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185396053 333208126 /nfs/dbraw/zinc/20/81/26/333208126.db2.gz QQYVFIHGNUCMBA-LBPRGKRZSA-N 0 3 314.429 3.769 20 10 DHCDHN Cc1ccc(O)c(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000295046579 335130116 /nfs/dbraw/zinc/13/01/16/335130116.db2.gz NCOBYPCJFKMHLQ-INIZCTEOSA-N 0 3 305.805 3.519 20 10 DHCDHN CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1[O-] ZINC000121094171 333321419 /nfs/dbraw/zinc/32/14/19/333321419.db2.gz JPPVFBQHCYKPTC-IBGZPJMESA-N 0 3 321.424 3.878 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000296004977 335139495 /nfs/dbraw/zinc/13/94/95/335139495.db2.gz MAYBLWUSKRNUCZ-INIZCTEOSA-N 0 3 305.443 3.612 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c([O-])c1 ZINC000320209613 333453315 /nfs/dbraw/zinc/45/33/15/333453315.db2.gz JBQXDNYEUAHKRI-AWEZNQCLSA-N 0 3 307.397 3.942 20 10 DHCDHN C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000272870042 334040474 /nfs/dbraw/zinc/04/04/74/334040474.db2.gz OPFFTAIVQNFJCP-NFOMZHRRSA-N 0 3 319.445 3.943 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)CC2 ZINC000297404142 334241211 /nfs/dbraw/zinc/24/12/11/334241211.db2.gz SSCLZXPJRMWTEG-AWEZNQCLSA-N 0 3 322.330 3.626 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000367056899 335607440 /nfs/dbraw/zinc/60/74/40/335607440.db2.gz CVTODJYPRWSQQX-RHSMWYFYSA-N 0 3 312.413 3.612 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000324680371 336244184 /nfs/dbraw/zinc/24/41/84/336244184.db2.gz OUSQFEOKGYWCPB-ZDUSSCGKSA-N 0 3 323.396 3.642 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000324680371 336244185 /nfs/dbraw/zinc/24/41/85/336244185.db2.gz OUSQFEOKGYWCPB-ZDUSSCGKSA-N 0 3 323.396 3.642 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000192936131 336285335 /nfs/dbraw/zinc/28/53/35/336285335.db2.gz JTGFMKWWZZCXOP-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC(F)F)cc2)c1 ZINC000192936131 336285336 /nfs/dbraw/zinc/28/53/36/336285336.db2.gz JTGFMKWWZZCXOP-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN CC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C)cc1[O-] ZINC000373522710 336963590 /nfs/dbraw/zinc/96/35/90/336963590.db2.gz NWUVLYKIZOBXPY-LEOMRAHMSA-N 0 3 302.462 3.758 20 10 DHCDHN Cc1ccc(C(=O)C2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000374285766 336985982 /nfs/dbraw/zinc/98/59/82/336985982.db2.gz VFSLNFDECSQNQR-UHFFFAOYSA-N 0 3 309.409 3.796 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c([O-])c1C ZINC000375234181 337006285 /nfs/dbraw/zinc/00/62/85/337006285.db2.gz PMWDVVBHEKGSQQ-GJZGRUSLSA-N 0 3 324.424 3.786 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375256591 337006606 /nfs/dbraw/zinc/00/66/06/337006606.db2.gz SUJQRTGGXMKBLT-QUCCMNQESA-N 0 3 309.409 3.975 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375256591 337006607 /nfs/dbraw/zinc/00/66/07/337006607.db2.gz SUJQRTGGXMKBLT-QUCCMNQESA-N 0 3 309.409 3.975 20 10 DHCDHN Cc1ccc([O-])c(C[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000375302884 337007546 /nfs/dbraw/zinc/00/75/46/337007546.db2.gz MDUVUIKJDDXBKA-UHFFFAOYSA-N 0 3 300.377 3.556 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH2+][C@@H]1C[C@H](CO)c2ccccc21 ZINC000376957260 337044179 /nfs/dbraw/zinc/04/41/79/337044179.db2.gz JMBQRMVAGREVJF-FOIQADDNSA-N 0 3 319.404 3.856 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000377695787 337058830 /nfs/dbraw/zinc/05/88/30/337058830.db2.gz IJNLBZSDBITIPL-CGTJXYLNSA-N 0 3 315.388 3.790 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000377695787 337058831 /nfs/dbraw/zinc/05/88/31/337058831.db2.gz IJNLBZSDBITIPL-CGTJXYLNSA-N 0 3 315.388 3.790 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(Nc2nccs2)CC1 ZINC000377717807 337059570 /nfs/dbraw/zinc/05/95/70/337059570.db2.gz OAHYNNBJWIAVIP-OAHLLOKOSA-N 0 3 317.458 3.876 20 10 DHCDHN Cc1cccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1[O-] ZINC000378439933 337072823 /nfs/dbraw/zinc/07/28/23/337072823.db2.gz XEHONCGLRCEKOB-UHFFFAOYSA-N 0 3 309.409 3.722 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000378624641 337076956 /nfs/dbraw/zinc/07/69/56/337076956.db2.gz NVAYZPFANFXEBF-JSGCOSHPSA-N 0 3 318.367 3.600 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1[O-] ZINC000378633415 337077194 /nfs/dbraw/zinc/07/71/94/337077194.db2.gz MZISYZLMVAUSIS-CQSZACIVSA-N 0 3 316.470 3.769 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc(C)s3)C2)c1[O-] ZINC000360075872 337084996 /nfs/dbraw/zinc/08/49/96/337084996.db2.gz NXZMXCXAADRUCO-CQSZACIVSA-N 0 3 318.442 3.545 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@@H](c3ncc(C)s3)C2)c1[O-] ZINC000360075872 337084997 /nfs/dbraw/zinc/08/49/97/337084997.db2.gz NXZMXCXAADRUCO-CQSZACIVSA-N 0 3 318.442 3.545 20 10 DHCDHN COc1cccc(C[NH2+]C[C@H]2C[C@]2(C)c2cccs2)c1[O-] ZINC000360091363 337085092 /nfs/dbraw/zinc/08/50/92/337085092.db2.gz CHRGRESGAMAIFT-DYVFJYSZSA-N 0 3 303.427 3.530 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H]2CCOc3c(C)cccc32)c1 ZINC000188877219 337275905 /nfs/dbraw/zinc/27/59/05/337275905.db2.gz OSCAIXWGBIQEDS-QGZVFWFLSA-N 0 3 313.397 3.713 20 10 DHCDHN CCOc1cccc(CN[C@@H]2CCOc3c(C)cccc32)c1O ZINC000188879222 337275991 /nfs/dbraw/zinc/27/59/91/337275991.db2.gz WGWVRUZGGULIKR-MRXNPFEDSA-N 0 3 313.397 3.713 20 10 DHCDHN COc1ccc(CNCc2c(C)c3ccccc3n2C)cc1F ZINC000475203693 339441369 /nfs/dbraw/zinc/44/13/69/339441369.db2.gz PSHUMFAXDZWYQR-UHFFFAOYSA-N 0 3 312.388 3.924 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cccc3cccnc32)c1 ZINC000273380865 341635360 /nfs/dbraw/zinc/63/53/60/341635360.db2.gz IFSCAVHFNMAQCC-AWEZNQCLSA-N 0 3 322.408 3.842 20 10 DHCDHN CCOc1ccc(O)c(CNC(C)(C)c2cccc(F)c2)c1 ZINC000124660891 521148942 /nfs/dbraw/zinc/14/89/42/521148942.db2.gz HWUOWADBEYFWTK-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN CCOc1ccc([O-])c(C[NH2+]C(C)(C)c2cccc(F)c2)c1 ZINC000124660891 521148951 /nfs/dbraw/zinc/14/89/51/521148951.db2.gz HWUOWADBEYFWTK-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1O ZINC000121081299 522871961 /nfs/dbraw/zinc/87/19/61/522871961.db2.gz QHNXXORSNJUCQZ-OAHLLOKOSA-N 0 3 316.357 3.550 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[O-] ZINC000157458097 522954516 /nfs/dbraw/zinc/95/45/16/522954516.db2.gz CBDRYYUHWUMERX-MVJTYMMSSA-N 0 3 301.430 3.781 20 10 DHCDHN COc1ccccc1CN(Cc1cccc(OC)c1O)C1CC1 ZINC000130172300 524443178 /nfs/dbraw/zinc/44/31/78/524443178.db2.gz AJYLEJNNSHCBLS-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(-n2ccnc2)c1 ZINC000266149558 525526817 /nfs/dbraw/zinc/52/68/17/525526817.db2.gz JUCHNSSABCECSL-MRXNPFEDSA-N 0 3 320.440 3.789 20 10 DHCDHN C[C@@H](O)[C@](C)(C[NH2+][C@H](C)c1ccccc1[O-])Cc1ccccc1 ZINC000188914701 525864461 /nfs/dbraw/zinc/86/44/61/525864461.db2.gz CBZPGFPFLCVYDZ-QINHECLXSA-N 0 3 313.441 3.673 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCCn2cnc3ccccc32)c([O-])c1 ZINC000192931244 525919318 /nfs/dbraw/zinc/91/93/18/525919318.db2.gz GAJZLKQJRTZZNJ-HNNXBMFYSA-N 0 3 309.413 3.791 20 10 DHCDHN COc1cccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1[O-] ZINC000367718816 526039973 /nfs/dbraw/zinc/03/99/73/526039973.db2.gz GDQRSRGIYRWIJH-YOEHRIQHSA-N 0 3 312.413 3.612 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102393253 526355949 /nfs/dbraw/zinc/35/59/49/526355949.db2.gz QUBXIHOFEANHFZ-INIZCTEOSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000102393253 526355952 /nfs/dbraw/zinc/35/59/52/526355952.db2.gz QUBXIHOFEANHFZ-INIZCTEOSA-N 0 3 307.397 3.579 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1[O-] ZINC000274787300 535941944 /nfs/dbraw/zinc/94/19/44/535941944.db2.gz QPJAMTBZEWWTSL-LEXZLQQCSA-N 0 3 317.454 3.932 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1ccccc1[O-] ZINC000155237412 1013316196 /nfs/dbraw/zinc/31/61/96/1013316196.db2.gz ULNDUROCZORQRY-QGZVFWFLSA-N 0 3 322.412 3.522 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2cc(O)cc(Cl)c2)c1 ZINC000894502405 1013396605 /nfs/dbraw/zinc/39/66/05/1013396605.db2.gz RGNJSPVAUKFGNP-JTQLQIEISA-N 0 3 307.777 3.611 20 10 DHCDHN CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@@H]1O ZINC000276041770 1014589047 /nfs/dbraw/zinc/58/90/47/1014589047.db2.gz SSTNCQRYUSFSBV-IBGZPJMESA-N 0 3 311.425 3.652 20 10 DHCDHN CC1(C)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@@H]1O ZINC000276041770 1014589050 /nfs/dbraw/zinc/58/90/50/1014589050.db2.gz SSTNCQRYUSFSBV-IBGZPJMESA-N 0 3 311.425 3.652 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000783504621 1014690798 /nfs/dbraw/zinc/69/07/98/1014690798.db2.gz HRXSXRXBTOZDQN-UONOGXRCSA-N 0 3 313.397 3.793 20 10 DHCDHN CC[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccccc1F ZINC000895200545 1014937397 /nfs/dbraw/zinc/93/73/97/1014937397.db2.gz RQRCWAWMHJTNIC-OAHLLOKOSA-N 0 3 319.376 3.789 20 10 DHCDHN [O-]c1ccccc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000076399606 1015114221 /nfs/dbraw/zinc/11/42/21/1015114221.db2.gz FQSAOUZGDQZISA-UHFFFAOYSA-N 0 3 318.214 3.934 20 10 DHCDHN COc1cc(C)cc(CN[C@@H](C)c2cc3cnccc3o2)c1O ZINC000895465322 1015169762 /nfs/dbraw/zinc/16/97/62/1015169762.db2.gz AYQJWVLMEODPKI-LBPRGKRZSA-N 0 3 312.369 3.701 20 10 DHCDHN Cc1csc(C[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000895824267 1015319957 /nfs/dbraw/zinc/31/99/57/1015319957.db2.gz YTXURCHXZMWJHB-CQSZACIVSA-N 0 3 302.443 3.612 20 10 DHCDHN Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000895824267 1015319968 /nfs/dbraw/zinc/31/99/68/1015319968.db2.gz YTXURCHXZMWJHB-CQSZACIVSA-N 0 3 302.443 3.612 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cc(F)ccc1OC ZINC000896688437 1015704459 /nfs/dbraw/zinc/70/44/59/1015704459.db2.gz LRHNHDWFSKPDQB-HNNXBMFYSA-N 0 3 307.340 3.920 20 10 DHCDHN CC[C@H](NCc1cc(OC)ccc1O)c1cc(F)ccc1OC ZINC000896688230 1015704837 /nfs/dbraw/zinc/70/48/37/1015704837.db2.gz ITUUIIDHRKVWJZ-INIZCTEOSA-N 0 3 319.376 3.789 20 10 DHCDHN COc1ccc(CN2CCc3ccccc3[C@H]2C)c(O)c1OC ZINC000891950091 1015784499 /nfs/dbraw/zinc/78/44/99/1015784499.db2.gz FQWHXWIISYEGRG-CYBMUJFWSA-N 0 3 313.397 3.529 20 10 DHCDHN Cc1ccccc1CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000022815139 1016061132 /nfs/dbraw/zinc/06/11/32/1016061132.db2.gz MDDOQKUYUHPROZ-UHFFFAOYSA-N 0 3 324.468 3.635 20 10 DHCDHN Cc1ncc(CNCc2ccc(N3CCCCC3)cc2)s1 ZINC000040997528 1016073234 /nfs/dbraw/zinc/07/32/34/1016073234.db2.gz MPYJKOFZIBLQPW-UHFFFAOYSA-N 0 3 301.459 3.732 20 10 DHCDHN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000277234228 1016090746 /nfs/dbraw/zinc/09/07/46/1016090746.db2.gz MPBFERVZEQOQAA-RWMBFGLXSA-N 0 3 302.422 3.744 20 10 DHCDHN C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1[O-] ZINC000184835264 1016389148 /nfs/dbraw/zinc/38/91/48/1016389148.db2.gz LTICMHLIEYOKGQ-YVEFUNNKSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@H](N[C@@H](C)c1ccccc1O)c1ccc(Br)cn1 ZINC000281199222 1016396762 /nfs/dbraw/zinc/39/67/62/1016396762.db2.gz RVLQJULTVODPOW-QWRGUYRKSA-N 0 3 321.218 3.962 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Br)cn1 ZINC000281199222 1016396777 /nfs/dbraw/zinc/39/67/77/1016396777.db2.gz RVLQJULTVODPOW-QWRGUYRKSA-N 0 3 321.218 3.962 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc(F)ccc1[O-] ZINC000185006299 1016494709 /nfs/dbraw/zinc/49/47/09/1016494709.db2.gz OAHFVOVSKNDVOG-AWEZNQCLSA-N 0 3 314.404 3.982 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cn(C(C)C)nc2C)cc1 ZINC000281461318 1016529500 /nfs/dbraw/zinc/52/95/00/1016529500.db2.gz UEYDGCWKCHAWBE-UHFFFAOYSA-N 0 3 314.477 3.908 20 10 DHCDHN C[C@@H]([NH2+]CCCOCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000185080796 1016535267 /nfs/dbraw/zinc/53/52/67/1016535267.db2.gz QBCPSHIXXRDEHC-OAHLLOKOSA-N 0 3 317.404 3.831 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c([O-])c1 ZINC000185233786 1016776231 /nfs/dbraw/zinc/77/62/31/1016776231.db2.gz KXTPIQOBAOIUEI-OAHLLOKOSA-N 0 3 310.441 3.934 20 10 DHCDHN COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185578758 1017028104 /nfs/dbraw/zinc/02/81/04/1017028104.db2.gz LLIKUGDAIZONHZ-LSDHHAIUSA-N 0 3 315.413 3.827 20 10 DHCDHN Cc1sccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294859262 1032186349 /nfs/dbraw/zinc/18/63/49/1032186349.db2.gz JHNRFJYKRLJSPB-UHFFFAOYSA-N 0 3 316.470 3.525 20 10 DHCDHN COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccccc1[O-])CC2 ZINC001171295159 1032270678 /nfs/dbraw/zinc/27/06/78/1032270678.db2.gz UUFSIXVDJSOJFU-CYBMUJFWSA-N 0 3 317.816 3.701 20 10 DHCDHN C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1[O-] ZINC000037000053 1032628783 /nfs/dbraw/zinc/62/87/83/1032628783.db2.gz PCGMGBNVFKPSKN-GFCCVEGCSA-N 0 3 320.230 3.876 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926911096 1032698714 /nfs/dbraw/zinc/69/87/14/1032698714.db2.gz LIXFFVYNRGUECE-WDMOLILDSA-N 0 3 303.324 3.543 20 10 DHCDHN CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CCO2 ZINC000187587293 1018433596 /nfs/dbraw/zinc/43/35/96/1018433596.db2.gz CBVGTEYFMOTABZ-INIZCTEOSA-N 0 3 317.360 3.543 20 10 DHCDHN Cc1c([C@H](C)NCc2ccc(N(C)C)cc2)cnn1C(C)C ZINC000191129565 1018495557 /nfs/dbraw/zinc/49/55/57/1018495557.db2.gz QUJFNAOLOIIYBP-AWEZNQCLSA-N 0 3 300.450 3.689 20 10 DHCDHN COc1cccc2c1CC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921836640 1018930639 /nfs/dbraw/zinc/93/06/39/1018930639.db2.gz BVENAVJFSPLVDK-GOSISDBHSA-N 0 3 309.409 3.797 20 10 DHCDHN CCOc1cc(CNCc2cc(C)ccc2O)c(F)cc1OC ZINC000858239471 1032812650 /nfs/dbraw/zinc/81/26/50/1032812650.db2.gz NYVLIQJTHYVIFX-UHFFFAOYSA-N 0 3 319.376 3.537 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000858275263 1032828048 /nfs/dbraw/zinc/82/80/48/1032828048.db2.gz DPOWLVZKKMHNAV-OAHLLOKOSA-N 0 3 303.789 3.831 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000858299190 1032835387 /nfs/dbraw/zinc/83/53/87/1032835387.db2.gz QPWUWUJZTFFSER-ICSRJNTNSA-N 0 3 309.409 3.716 20 10 DHCDHN CCN(CC)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000021027286 1032841844 /nfs/dbraw/zinc/84/18/44/1032841844.db2.gz LLYIVJJDGOGUSQ-UHFFFAOYSA-N 0 3 305.249 3.521 20 10 DHCDHN CC[NH+](CC)CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000021027286 1032841859 /nfs/dbraw/zinc/84/18/59/1032841859.db2.gz LLYIVJJDGOGUSQ-UHFFFAOYSA-N 0 3 305.249 3.521 20 10 DHCDHN CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186916 1019641568 /nfs/dbraw/zinc/64/15/68/1019641568.db2.gz JWXBHDIKUAYQFX-BONVTDFDSA-N 0 3 304.390 3.808 20 10 DHCDHN CC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1c(C)noc1C ZINC000186186948 1019643114 /nfs/dbraw/zinc/64/31/14/1019643114.db2.gz JWXBHDIKUAYQFX-BMIGLBTASA-N 0 3 304.390 3.808 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000186189174 1019650773 /nfs/dbraw/zinc/65/07/73/1019650773.db2.gz ISXCSOSQRTWSAV-ZAAXVRCTSA-N 0 3 310.441 3.797 20 10 DHCDHN Cc1cc(O)c(CN2C[C@H](c3ccccc3)OC[C@H]2C)cc1C ZINC000727432103 1019714033 /nfs/dbraw/zinc/71/40/33/1019714033.db2.gz ZWGJIADZDHOLNW-OXQOHEQNSA-N 0 3 311.425 3.971 20 10 DHCDHN [O-]c1cc2c(cc1C[N@H+](CC1CC1)C1CCCCC1)OCO2 ZINC000727825249 1019821176 /nfs/dbraw/zinc/82/11/76/1019821176.db2.gz ONTBESYFKGAJBS-UHFFFAOYSA-N 0 3 303.402 3.666 20 10 DHCDHN [O-]c1cc2c(cc1C[N@@H+](CC1CC1)C1CCCCC1)OCO2 ZINC000727825249 1019821195 /nfs/dbraw/zinc/82/11/95/1019821195.db2.gz ONTBESYFKGAJBS-UHFFFAOYSA-N 0 3 303.402 3.666 20 10 DHCDHN CCc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000765991282 1020103198 /nfs/dbraw/zinc/10/31/98/1020103198.db2.gz CSCFUWPVBJHIQQ-HNNXBMFYSA-N 0 3 312.461 3.813 20 10 DHCDHN CCc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000765991282 1020103208 /nfs/dbraw/zinc/10/32/08/1020103208.db2.gz CSCFUWPVBJHIQQ-HNNXBMFYSA-N 0 3 312.461 3.813 20 10 DHCDHN Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cnn1C ZINC001117503426 1020180424 /nfs/dbraw/zinc/18/04/24/1020180424.db2.gz GYRJRBBMDZXBPT-GHMZBOCLSA-N 0 3 307.825 3.808 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000738158584 1020863083 /nfs/dbraw/zinc/86/30/83/1020863083.db2.gz MTZFEZFPCKJUJX-MRXNPFEDSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000738158584 1020863087 /nfs/dbraw/zinc/86/30/87/1020863087.db2.gz MTZFEZFPCKJUJX-MRXNPFEDSA-N 0 3 307.397 3.579 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000740859204 1020954802 /nfs/dbraw/zinc/95/48/02/1020954802.db2.gz JHRQIDJWSYWAEU-QWHCGFSZSA-N 0 3 313.397 3.562 20 10 DHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000740859204 1020954809 /nfs/dbraw/zinc/95/48/09/1020954809.db2.gz JHRQIDJWSYWAEU-QWHCGFSZSA-N 0 3 313.397 3.562 20 10 DHCDHN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000742368687 1021107244 /nfs/dbraw/zinc/10/72/44/1021107244.db2.gz LNJGNKQLBMKKFM-UHFFFAOYSA-N 0 3 322.811 3.844 20 10 DHCDHN CCOc1ccc(CN[C@](C)(CC)c2nc(C)cs2)c(O)c1 ZINC000742374320 1021114612 /nfs/dbraw/zinc/11/46/12/1021114612.db2.gz VEQQFMYJPOZOFV-QGZVFWFLSA-N 0 3 320.458 3.971 20 10 DHCDHN Cc1ccc(O)c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154293533 1021196884 /nfs/dbraw/zinc/19/68/84/1021196884.db2.gz LCYQKCNMOLLVJO-UHFFFAOYSA-N 0 3 312.369 3.773 20 10 DHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@@H](C)S[C@H](C)C3)c2c1 ZINC000743377546 1021283955 /nfs/dbraw/zinc/28/39/55/1021283955.db2.gz PSGHADVZFIUKBH-CHWSQXEVSA-N 0 3 317.454 3.880 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367466 1021489700 /nfs/dbraw/zinc/48/97/00/1021489700.db2.gz JWOZZSMVCJOIIN-GOSISDBHSA-N 0 3 309.409 3.860 20 10 DHCDHN O[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369765 1021492543 /nfs/dbraw/zinc/49/25/43/1021492543.db2.gz LGBYUULQVOPFPI-RTWAWAEBSA-N 0 3 322.452 3.945 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000850388880 1021505565 /nfs/dbraw/zinc/50/55/65/1021505565.db2.gz QVKDLLBKCAQPFS-SJORKVTESA-N 0 3 319.445 3.617 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850419125 1021521282 /nfs/dbraw/zinc/52/12/82/1021521282.db2.gz BQVLALABTVFZKH-OXJNMPFZSA-N 0 3 312.457 3.745 20 10 DHCDHN C[C@@H](O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420620 1021521678 /nfs/dbraw/zinc/52/16/78/1021521678.db2.gz PXYMFRILTRHXQJ-UTKZUKDTSA-N 0 3 324.468 3.889 20 10 DHCDHN COc1ccc(O)c(CNC2(c3nc(C)cs3)CCCC2)c1 ZINC000182217368 1021543387 /nfs/dbraw/zinc/54/33/87/1021543387.db2.gz FQFOXJIHXKZXRC-UHFFFAOYSA-N 0 3 318.442 3.725 20 10 DHCDHN COc1cccc(OC)c1CN[C@@H](C)c1cc(C)ccc1O ZINC000850505132 1021565667 /nfs/dbraw/zinc/56/56/67/1021565667.db2.gz NOILVSPKXKMVJH-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN C[C@@H](N[C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850511041 1021569323 /nfs/dbraw/zinc/56/93/23/1021569323.db2.gz YRHGHSCRCBNEHY-ZIAGYGMSSA-N 0 3 306.837 3.546 20 10 DHCDHN COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1 ZINC000850514642 1021570912 /nfs/dbraw/zinc/57/09/12/1021570912.db2.gz ONAQCXPKDPIHGX-PXAZEXFGSA-N 0 3 319.376 3.578 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000850537871 1021591738 /nfs/dbraw/zinc/59/17/38/1021591738.db2.gz ASYDIFTXLGSBTN-HIFRSBDPSA-N 0 3 306.425 3.589 20 10 DHCDHN CN(Cc1csc(Br)c1)Cc1ccccc1O ZINC000109773743 1021748062 /nfs/dbraw/zinc/74/80/62/1021748062.db2.gz PPIRSDIWELTUQS-UHFFFAOYSA-N 0 3 312.232 3.848 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000179889365 1022090625 /nfs/dbraw/zinc/09/06/25/1022090625.db2.gz QIGGWQTXCCUYGW-OAHLLOKOSA-N 0 3 321.417 3.774 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000179889365 1022090638 /nfs/dbraw/zinc/09/06/38/1022090638.db2.gz QIGGWQTXCCUYGW-OAHLLOKOSA-N 0 3 321.417 3.774 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000183632376 1022216906 /nfs/dbraw/zinc/21/69/06/1022216906.db2.gz CGRMPTNELBODLR-HUUCEWRRSA-N 0 3 314.404 3.851 20 10 DHCDHN COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccccc3[O-])c21 ZINC000183716821 1022313125 /nfs/dbraw/zinc/31/31/25/1022313125.db2.gz ZOIYBFCMWULLTL-ZDUSSCGKSA-N 0 3 310.397 3.775 20 10 DHCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185419083 1022486563 /nfs/dbraw/zinc/48/65/63/1022486563.db2.gz IGCDJDAILPEXLD-OAQYLSRUSA-N 0 3 319.404 3.882 20 10 DHCDHN COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185578876 1022503905 /nfs/dbraw/zinc/50/39/05/1022503905.db2.gz IVABUWGZUMLYNV-STQMWFEESA-N 0 3 319.376 3.658 20 10 DHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccnc(F)c1 ZINC000859081724 1033065494 /nfs/dbraw/zinc/06/54/94/1033065494.db2.gz ITUYQODAEUEQGO-UHFFFAOYSA-N 0 3 301.409 3.697 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000767929714 1022842903 /nfs/dbraw/zinc/84/29/03/1022842903.db2.gz PEXFTRKDYLIUOS-MRXNPFEDSA-N 0 3 319.445 3.762 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000767929710 1022843342 /nfs/dbraw/zinc/84/33/42/1022843342.db2.gz PEXFTRKDYLIUOS-INIZCTEOSA-N 0 3 319.445 3.762 20 10 DHCDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2ccccc2c1[O-] ZINC000296599688 1023011272 /nfs/dbraw/zinc/01/12/72/1023011272.db2.gz VMOAWEQRIDSMJR-LNRIEFBSSA-N 0 3 310.441 3.821 20 10 DHCDHN COc1cccc(O)c1CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000769234479 1023105793 /nfs/dbraw/zinc/10/57/93/1023105793.db2.gz SZHBDAFOGFCRGQ-UHFFFAOYSA-N 0 3 315.413 3.658 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)c1[O-] ZINC000769317970 1023120725 /nfs/dbraw/zinc/12/07/25/1023120725.db2.gz CXTQEIGFBOLCPL-SFHVURJKSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)c1[O-] ZINC000769317970 1023120727 /nfs/dbraw/zinc/12/07/27/1023120727.db2.gz CXTQEIGFBOLCPL-SFHVURJKSA-N 0 3 311.425 3.916 20 10 DHCDHN CCn1cc(CN(C)Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000769427614 1023146468 /nfs/dbraw/zinc/14/64/68/1023146468.db2.gz NEUXNFWWPTXAIA-UHFFFAOYSA-N 0 3 321.424 3.908 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1(O)CCCC1 ZINC000769448456 1023155626 /nfs/dbraw/zinc/15/56/26/1023155626.db2.gz RJYWEEZAIHRPAN-UHFFFAOYSA-N 0 3 311.425 3.796 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1(O)CCCC1 ZINC000769448456 1023155632 /nfs/dbraw/zinc/15/56/32/1023155632.db2.gz RJYWEEZAIHRPAN-UHFFFAOYSA-N 0 3 311.425 3.796 20 10 DHCDHN CCOc1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000769491839 1023165214 /nfs/dbraw/zinc/16/52/14/1023165214.db2.gz FRWVSYKDKWGPGA-SFHVURJKSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000769491839 1023165218 /nfs/dbraw/zinc/16/52/18/1023165218.db2.gz FRWVSYKDKWGPGA-SFHVURJKSA-N 0 3 319.445 3.715 20 10 DHCDHN CCOc1ccc(CN2CCOC3(C2)CCCCCC3)c(O)c1 ZINC000769515403 1023172242 /nfs/dbraw/zinc/17/22/42/1023172242.db2.gz RJZMLDJELOHWAN-UHFFFAOYSA-N 0 3 319.445 3.716 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H](CO)C(C)(C)C ZINC000769533855 1023173998 /nfs/dbraw/zinc/17/39/98/1023173998.db2.gz QHFVTBYSVSNQSX-LJQANCHMSA-N 0 3 313.441 3.898 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H](CO)C(C)(C)C ZINC000769533855 1023174002 /nfs/dbraw/zinc/17/40/02/1023174002.db2.gz QHFVTBYSVSNQSX-LJQANCHMSA-N 0 3 313.441 3.898 20 10 DHCDHN CC[C@H](N[C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991736 1023257505 /nfs/dbraw/zinc/25/75/05/1023257505.db2.gz ZTEZGKMVXZUYLK-IRXDYDNUSA-N 0 3 304.459 3.588 20 10 DHCDHN CC[C@H](N[C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991734 1023258032 /nfs/dbraw/zinc/25/80/32/1023258032.db2.gz ZTEZGKMVXZUYLK-DLBZAZTESA-N 0 3 304.459 3.588 20 10 DHCDHN Cc1ccc(C)c([C@@H]2CN(Cc3ccccc3O)[C@@H](C)CO2)c1 ZINC000770506156 1023316056 /nfs/dbraw/zinc/31/60/56/1023316056.db2.gz VTTXOYCJTWBZPQ-JXFKEZNVSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1cc(Br)cc(CN2CCCC3(CC3)C2)c1O ZINC000770677971 1023337092 /nfs/dbraw/zinc/33/70/92/1023337092.db2.gz XFAQDOHYMXCXNW-UHFFFAOYSA-N 0 3 310.235 3.839 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC3(CC3)C2)c1[O-] ZINC000770677971 1023337095 /nfs/dbraw/zinc/33/70/95/1023337095.db2.gz XFAQDOHYMXCXNW-UHFFFAOYSA-N 0 3 310.235 3.839 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CCCC3(CC3)C2)c1[O-] ZINC000770677971 1023337101 /nfs/dbraw/zinc/33/71/01/1023337101.db2.gz XFAQDOHYMXCXNW-UHFFFAOYSA-N 0 3 310.235 3.839 20 10 DHCDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000194549310 1024007775 /nfs/dbraw/zinc/00/77/75/1024007775.db2.gz HZZONNZKBIMFQJ-HNNXBMFYSA-N 0 3 309.768 3.662 20 10 DHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(F)cc1)OCO2 ZINC000026237672 1024177078 /nfs/dbraw/zinc/17/70/78/1024177078.db2.gz CVKSXJNUXNATMF-HNNXBMFYSA-N 0 3 315.344 3.597 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000876956818 1033191713 /nfs/dbraw/zinc/19/17/13/1033191713.db2.gz OIOADWQTMGGSTP-MRXNPFEDSA-N 0 3 313.397 3.713 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000876995796 1033202439 /nfs/dbraw/zinc/20/24/39/1033202439.db2.gz INEBUDSZZBJINK-ICSRJNTNSA-N 0 3 322.452 3.850 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000876995795 1033201967 /nfs/dbraw/zinc/20/19/67/1033201967.db2.gz INEBUDSZZBJINK-AZUAARDMSA-N 0 3 322.452 3.850 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000877063349 1033221978 /nfs/dbraw/zinc/22/19/78/1033221978.db2.gz FFGHSNDZGAHZNJ-UHFFFAOYSA-N 0 3 316.348 3.508 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(Cl)nc1 ZINC000760160446 1024680461 /nfs/dbraw/zinc/68/04/61/1024680461.db2.gz RVXODUIGFUCMRJ-CYBMUJFWSA-N 0 3 303.837 3.960 20 10 DHCDHN [O-]c1c(CNC2CC[NH+](C3CCCCC3)CC2)ccc(F)c1F ZINC000877079937 1033231101 /nfs/dbraw/zinc/23/11/01/1033231101.db2.gz BVNKYYHIWYJAJQ-UHFFFAOYSA-N 0 3 324.415 3.557 20 10 DHCDHN COc1ccc(OC(F)F)c(CNCc2c(C)cccc2O)c1 ZINC000877083824 1033234889 /nfs/dbraw/zinc/23/48/89/1033234889.db2.gz FTDQKYVITLDQNI-UHFFFAOYSA-N 0 3 323.339 3.600 20 10 DHCDHN Cc1ccc(CNCc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC000877127361 1033246761 /nfs/dbraw/zinc/24/67/61/1033246761.db2.gz FVYMMOZVRDUNFC-UHFFFAOYSA-N 0 3 300.402 3.563 20 10 DHCDHN COc1ccc(C[NH2+]CCCCCOc2ccccc2)c([O-])c1 ZINC000793389495 1025031586 /nfs/dbraw/zinc/03/15/86/1025031586.db2.gz ZTHUSZVPPSAVOK-UHFFFAOYSA-N 0 3 315.413 3.740 20 10 DHCDHN COc1ccc(C[NH2+]C[C@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000793390334 1025031879 /nfs/dbraw/zinc/03/18/79/1025031879.db2.gz OULMHMPHVDNXFO-LBPRGKRZSA-N 0 3 305.805 3.948 20 10 DHCDHN CCCN(Cc1cn2cccc(C)c2n1)Cc1ccccc1O ZINC000728927764 1025484511 /nfs/dbraw/zinc/48/45/11/1025484511.db2.gz YBRNNQOYLLNMTM-UHFFFAOYSA-N 0 3 309.413 3.761 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336918 1033286679 /nfs/dbraw/zinc/28/66/79/1033286679.db2.gz QCONKIUQJYWBKG-QFBILLFUSA-N 0 3 315.388 3.850 20 10 DHCDHN C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N(C)C1CC1 ZINC000729686100 1026025364 /nfs/dbraw/zinc/02/53/64/1026025364.db2.gz ZDAIYIHOTFWYJO-OAHLLOKOSA-N 0 3 310.441 3.632 20 10 DHCDHN CC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289703535 1026139275 /nfs/dbraw/zinc/13/92/75/1026139275.db2.gz IULPBRJCEWWJHJ-YJBOKZPZSA-N 0 3 317.454 3.983 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1[O-] ZINC000289793620 1026177292 /nfs/dbraw/zinc/17/72/92/1026177292.db2.gz MESYFOQPXGRHAC-AWEZNQCLSA-N 0 3 318.804 3.622 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c([O-])c1 ZINC000289827483 1026188370 /nfs/dbraw/zinc/18/83/70/1026188370.db2.gz PFCDDFNKUOYFLU-ZAAXVRCTSA-N 0 3 311.425 3.517 20 10 DHCDHN COc1ccc(F)cc1[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894187491 1026336771 /nfs/dbraw/zinc/33/67/71/1026336771.db2.gz KFFKQYZHDVRWRW-LBPRGKRZSA-N 0 3 319.376 3.708 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1[O-] ZINC000808682832 1026346706 /nfs/dbraw/zinc/34/67/06/1026346706.db2.gz WUOGXVVSVYCNFV-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000808675364 1026353807 /nfs/dbraw/zinc/35/38/07/1026353807.db2.gz DQORIXCLMYVXIP-IAQYHMDHSA-N 0 3 319.836 3.816 20 10 DHCDHN CCOc1ncccc1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808675697 1026354399 /nfs/dbraw/zinc/35/43/99/1026354399.db2.gz PTNJVTIXWSUHQB-GFCCVEGCSA-N 0 3 320.820 3.999 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCn2ccnc2)c1[O-] ZINC000808679115 1026355399 /nfs/dbraw/zinc/35/53/99/1026355399.db2.gz CUKUHSOLJQZZSY-ZDUSSCGKSA-N 0 3 307.825 3.682 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1[O-] ZINC000808715635 1026362448 /nfs/dbraw/zinc/36/24/48/1026362448.db2.gz WSCQGVMUQIIVAQ-PJODQICGSA-N 0 3 309.837 3.962 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[O-] ZINC000808699082 1026373102 /nfs/dbraw/zinc/37/31/02/1026373102.db2.gz RUWIUFYYDHCHQN-XOPPTJLZSA-N 0 3 309.837 3.818 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1[O-] ZINC000808702485 1026375557 /nfs/dbraw/zinc/37/55/57/1026375557.db2.gz XOCALRACENXIMB-DYEKYZERSA-N 0 3 308.853 3.630 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1[O-] ZINC000808702488 1026376036 /nfs/dbraw/zinc/37/60/36/1026376036.db2.gz XOCALRACENXIMB-SGMGOOAPSA-N 0 3 308.853 3.630 20 10 DHCDHN CN(C)c1ccc(CN2CCC=C(c3ccco3)C2)cc1F ZINC000809689308 1026595879 /nfs/dbraw/zinc/59/58/79/1026595879.db2.gz XJSMNGJVTYRFDN-UHFFFAOYSA-N 0 3 300.377 3.774 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]CC[C@H](O)c2ccccc2)c1[O-] ZINC000809747241 1026614947 /nfs/dbraw/zinc/61/49/47/1026614947.db2.gz MCXWMCWGCGKHJD-INIZCTEOSA-N 0 3 305.805 3.567 20 10 DHCDHN CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000280282322 1026625565 /nfs/dbraw/zinc/62/55/65/1026625565.db2.gz YQPUYIWKHBEMDM-WBVHZDCISA-N 0 3 305.443 3.711 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1[O-] ZINC000809790601 1026628074 /nfs/dbraw/zinc/62/80/74/1026628074.db2.gz LHJXONGCIPLFGH-CYBMUJFWSA-N 0 3 303.789 3.620 20 10 DHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c([O-])c1 ZINC000280388907 1026641688 /nfs/dbraw/zinc/64/16/88/1026641688.db2.gz WRUJCSPEUFZLSN-GOSISDBHSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCOc1ccc(C[N@H+]2CCC[C@@](C)(OC)CC2)c([O-])c1 ZINC000280388907 1026641690 /nfs/dbraw/zinc/64/16/90/1026641690.db2.gz WRUJCSPEUFZLSN-GOSISDBHSA-N 0 3 307.434 3.572 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000810178741 1026699079 /nfs/dbraw/zinc/69/90/79/1026699079.db2.gz VLENRGKJDMNSDG-LJQANCHMSA-N 0 3 311.425 3.700 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856805 1027164516 /nfs/dbraw/zinc/16/45/16/1027164516.db2.gz SKZHMVVOGJCIRQ-RYUDHWBXSA-N 0 3 316.357 3.721 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000812773496 1027398263 /nfs/dbraw/zinc/39/82/63/1027398263.db2.gz YMOIMUWYKMCAPE-UHFFFAOYSA-N 0 3 305.805 3.695 20 10 DHCDHN C[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCc2sccc21 ZINC000296230428 1027582028 /nfs/dbraw/zinc/58/20/28/1027582028.db2.gz AGPUGLYOLGWZSH-KDOFPFPSSA-N 0 3 315.438 3.519 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1cccc(C(F)(F)F)n1)CC2 ZINC000296256798 1027588595 /nfs/dbraw/zinc/58/85/95/1027588595.db2.gz DCFHOLDASAUAAD-GFCCVEGCSA-N 0 3 308.303 3.583 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706700 1027643208 /nfs/dbraw/zinc/64/32/08/1027643208.db2.gz KOOXSSGCSYORCT-OAHLLOKOSA-N 0 3 303.352 3.660 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706700 1027643219 /nfs/dbraw/zinc/64/32/19/1027643219.db2.gz KOOXSSGCSYORCT-OAHLLOKOSA-N 0 3 303.352 3.660 20 10 DHCDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296470234 1027647301 /nfs/dbraw/zinc/64/73/01/1027647301.db2.gz OJTHKPIRHNHWHB-WBMJQRKESA-N 0 3 313.445 3.990 20 10 DHCDHN CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2F)c([O-])c1 ZINC000813792348 1027713181 /nfs/dbraw/zinc/71/31/81/1027713181.db2.gz NXBJCNURUIUZHZ-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN CCc1nc([C@H]2CCC[N@@H+]([C@@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624510 1027861377 /nfs/dbraw/zinc/86/13/77/1027861377.db2.gz SYFKONWGEGQECP-ZFWWWQNUSA-N 0 3 315.417 3.668 20 10 DHCDHN CCc1nc([C@H]2CCC[N@H+]([C@@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624510 1027861385 /nfs/dbraw/zinc/86/13/85/1027861385.db2.gz SYFKONWGEGQECP-ZFWWWQNUSA-N 0 3 315.417 3.668 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000814178133 1027914872 /nfs/dbraw/zinc/91/48/72/1027914872.db2.gz CYYVFPUTATXPFF-OAHLLOKOSA-N 0 3 309.837 3.603 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000814178133 1027914889 /nfs/dbraw/zinc/91/48/89/1027914889.db2.gz CYYVFPUTATXPFF-OAHLLOKOSA-N 0 3 309.837 3.603 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(C)cc1[O-] ZINC000527999220 1028023646 /nfs/dbraw/zinc/02/36/46/1028023646.db2.gz FSOHQKXENUXRFA-FUHWJXTLSA-N 0 3 302.462 3.758 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000367295576 1028159204 /nfs/dbraw/zinc/15/92/04/1028159204.db2.gz QPQKIXCQXUUHDY-DOTOQJQBSA-N 0 3 311.429 3.672 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000367295576 1028159210 /nfs/dbraw/zinc/15/92/10/1028159210.db2.gz QPQKIXCQXUUHDY-DOTOQJQBSA-N 0 3 311.429 3.672 20 10 DHCDHN COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000368327881 1028334617 /nfs/dbraw/zinc/33/46/17/1028334617.db2.gz NFPXSAUQAXRWRP-IAQYHMDHSA-N 0 3 317.360 3.714 20 10 DHCDHN CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000779148312 1028425764 /nfs/dbraw/zinc/42/57/64/1028425764.db2.gz BZBHKYPSRBSSIH-YVEFUNNKSA-N 0 3 305.805 3.911 20 10 DHCDHN CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000368995864 1028433192 /nfs/dbraw/zinc/43/31/92/1028433192.db2.gz UXPDEVBGRSUQJS-DOMZBBRYSA-N 0 3 317.408 3.517 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1c(F)cccc1F ZINC000075829124 1028536823 /nfs/dbraw/zinc/53/68/23/1028536823.db2.gz RHMXYRIZYKKHAB-KRWDZBQOSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1c(F)cccc1F ZINC000075829124 1028536834 /nfs/dbraw/zinc/53/68/34/1028536834.db2.gz RHMXYRIZYKKHAB-KRWDZBQOSA-N 0 3 321.367 3.616 20 10 DHCDHN CC[C@@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815589410 1028559544 /nfs/dbraw/zinc/55/95/44/1028559544.db2.gz RLDYFLLTSICANP-IEBWSBKVSA-N 0 3 313.441 3.817 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c([O-])c1 ZINC000815623483 1028574179 /nfs/dbraw/zinc/57/41/79/1028574179.db2.gz YTHLVSRNLXDYSY-SJLPKXTDSA-N 0 3 313.441 3.653 20 10 DHCDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779165602 1028585072 /nfs/dbraw/zinc/58/50/72/1028585072.db2.gz JRDFTPJMDYHKIT-LJQANCHMSA-N 0 3 311.425 3.795 20 10 DHCDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779165602 1028585084 /nfs/dbraw/zinc/58/50/84/1028585084.db2.gz JRDFTPJMDYHKIT-LJQANCHMSA-N 0 3 311.425 3.795 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000815642956 1028590568 /nfs/dbraw/zinc/59/05/68/1028590568.db2.gz PHKUPWLRMKQOGL-WDEREUQCSA-N 0 3 306.793 3.866 20 10 DHCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816520610 1028919458 /nfs/dbraw/zinc/91/94/58/1028919458.db2.gz TXRQCTXZIGIXOW-MSOLQXFVSA-N 0 3 310.441 3.604 20 10 DHCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816520610 1028919465 /nfs/dbraw/zinc/91/94/65/1028919465.db2.gz TXRQCTXZIGIXOW-MSOLQXFVSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H](CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCCC1 ZINC000816568128 1028948903 /nfs/dbraw/zinc/94/89/03/1028948903.db2.gz XJXHCQDPJXTESK-GFCCVEGCSA-N 0 3 314.832 3.539 20 10 DHCDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1c1ccccc1)OCO2 ZINC000816630363 1028952653 /nfs/dbraw/zinc/95/26/53/1028952653.db2.gz BLAIDKDDBGXDNJ-IBGZPJMESA-N 0 3 323.392 3.848 20 10 DHCDHN CC(C)c1nccn1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000373139475 1028958769 /nfs/dbraw/zinc/95/87/69/1028958769.db2.gz LVYXIRHVESJXIO-INIZCTEOSA-N 0 3 317.408 3.688 20 10 DHCDHN CC(C)c1nccn1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000373139475 1028958781 /nfs/dbraw/zinc/95/87/81/1028958781.db2.gz LVYXIRHVESJXIO-INIZCTEOSA-N 0 3 317.408 3.688 20 10 DHCDHN CC(C)c1nccn1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000373139477 1028959547 /nfs/dbraw/zinc/95/95/47/1028959547.db2.gz LVYXIRHVESJXIO-MRXNPFEDSA-N 0 3 317.408 3.688 20 10 DHCDHN CC(C)c1nccn1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000373139477 1028959555 /nfs/dbraw/zinc/95/95/55/1028959555.db2.gz LVYXIRHVESJXIO-MRXNPFEDSA-N 0 3 317.408 3.688 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666366 1028983891 /nfs/dbraw/zinc/98/38/91/1028983891.db2.gz LNNPJZXRPKQCFA-PMACEKPBSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666366 1028983900 /nfs/dbraw/zinc/98/39/00/1028983900.db2.gz LNNPJZXRPKQCFA-PMACEKPBSA-N 0 3 309.409 3.689 20 10 DHCDHN CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccccc1[O-] ZINC000155590719 1029258037 /nfs/dbraw/zinc/25/80/37/1029258037.db2.gz WVMZOQPRFDBTPC-CQSZACIVSA-N 0 3 303.406 3.572 20 10 DHCDHN C[C@@H](NCCc1ccc(N)cc1)c1ncc(-c2ccccc2)n1C ZINC000817957094 1029297457 /nfs/dbraw/zinc/29/74/57/1029297457.db2.gz IVLRUSVCXDHSPP-OAHLLOKOSA-N 0 3 320.440 3.563 20 10 DHCDHN CN(C)Cc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000155843142 1029316679 /nfs/dbraw/zinc/31/66/79/1029316679.db2.gz XOSQQFFCXUINND-UHFFFAOYSA-N 0 3 323.440 3.601 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(OC)c1OC ZINC000865758737 1030008567 /nfs/dbraw/zinc/00/85/67/1030008567.db2.gz MSIWHNNWWZYQGG-HNNXBMFYSA-N 0 3 301.386 3.650 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(O)cc(F)c1 ZINC000925082759 1030265337 /nfs/dbraw/zinc/26/53/37/1030265337.db2.gz YJUAQXRBSVJWHM-CYBMUJFWSA-N 0 3 302.393 3.757 20 10 DHCDHN CN(C)c1ccc(CN(CCC(=O)c2ccccc2)C2CC2)cc1 ZINC000777558502 1030345559 /nfs/dbraw/zinc/34/55/59/1030345559.db2.gz IHIANMBBHYSCAG-UHFFFAOYSA-N 0 3 322.452 3.990 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(C)cc1[O-] ZINC000866531739 1030353077 /nfs/dbraw/zinc/35/30/77/1030353077.db2.gz SPIFJNOMQSTVSG-RDJZCZTQSA-N 0 3 303.446 3.948 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000866539612 1030359831 /nfs/dbraw/zinc/35/98/31/1030359831.db2.gz DWTQYXIDSXEJJA-LLVKDONJSA-N 0 3 304.321 3.599 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(C)cc1[O-] ZINC000866539464 1030360618 /nfs/dbraw/zinc/36/06/18/1030360618.db2.gz MHYBPSOYKFRLNG-SZMVWBNQSA-N 0 3 303.446 3.804 20 10 DHCDHN COc1cc(F)cc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000823729651 1030383425 /nfs/dbraw/zinc/38/34/25/1030383425.db2.gz IMEHIURSKYOMCD-UHFFFAOYSA-N 0 3 314.404 3.507 20 10 DHCDHN COC[C@H]1CCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824433767 1030553532 /nfs/dbraw/zinc/55/35/32/1030553532.db2.gz NPGOYZZFSHGZRC-QGZVFWFLSA-N 0 3 316.470 3.605 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)c([O-])c1 ZINC000824483565 1030563524 /nfs/dbraw/zinc/56/35/24/1030563524.db2.gz QMUSHLVJSUCDND-CQSZACIVSA-N 0 3 315.438 3.770 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000824462598 1030566739 /nfs/dbraw/zinc/56/67/39/1030566739.db2.gz GSYPIUITOSHGRH-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636116 1030598041 /nfs/dbraw/zinc/59/80/41/1030598041.db2.gz LVXGCQAUGUCLAG-PKOBYXMFSA-N 0 3 311.425 3.652 20 10 DHCDHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636116 1030598043 /nfs/dbraw/zinc/59/80/43/1030598043.db2.gz LVXGCQAUGUCLAG-PKOBYXMFSA-N 0 3 311.425 3.652 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1[O-] ZINC000824772770 1030629774 /nfs/dbraw/zinc/62/97/74/1030629774.db2.gz HVLXPGQZHYFVMM-GFCCVEGCSA-N 0 3 324.635 3.728 20 10 DHCDHN CCOc1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000824971740 1030688017 /nfs/dbraw/zinc/68/80/17/1030688017.db2.gz XSNNVSRSQGGAAJ-CQSZACIVSA-N 0 3 318.244 3.855 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000321935874 1030983777 /nfs/dbraw/zinc/98/37/77/1030983777.db2.gz WCKBWWYCINPOFG-KRWDZBQOSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000321935874 1030983786 /nfs/dbraw/zinc/98/37/86/1030983786.db2.gz WCKBWWYCINPOFG-KRWDZBQOSA-N 0 3 310.441 3.606 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000926949755 1031013366 /nfs/dbraw/zinc/01/33/66/1031013366.db2.gz NSRCGPNFKCGLEK-WYOJIJJFSA-N 0 3 303.299 3.868 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CCc3ccccc3N1)CC2 ZINC000844923380 1031401783 /nfs/dbraw/zinc/40/17/83/1031401783.db2.gz FUOXSAXWVDOHCP-FUHWJXTLSA-N 0 3 308.425 3.786 20 10 DHCDHN CC(=O)Nc1cccc2c1CN(Cc1cc(C)c(C)cc1O)CC2 ZINC000872660803 1031640348 /nfs/dbraw/zinc/64/03/48/1031640348.db2.gz XUCONPYEYDTUBS-UHFFFAOYSA-N 0 3 324.424 3.526 20 10 DHCDHN CCCOc1ccc(CNC(C)(C)c2cnn(C)c2)cc1C ZINC000873060728 1031700124 /nfs/dbraw/zinc/70/01/24/1031700124.db2.gz MQBFKALPJFEDLY-UHFFFAOYSA-N 0 3 301.434 3.542 20 10 DHCDHN Cc1cc(CN(C)Cc2cccn2C)c(O)c(C(C)(C)C)c1 ZINC000760403113 1031705194 /nfs/dbraw/zinc/70/51/94/1031705194.db2.gz XPTLHRKBEGRNRM-UHFFFAOYSA-N 0 3 300.446 3.969 20 10 DHCDHN CCOc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000873183399 1031745078 /nfs/dbraw/zinc/74/50/78/1031745078.db2.gz KNPUJIPGDMULMH-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846010866 1031805597 /nfs/dbraw/zinc/80/55/97/1031805597.db2.gz RUUDVSCXMZZESU-SFHVURJKSA-N 0 3 317.816 3.529 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846010866 1031805602 /nfs/dbraw/zinc/80/56/02/1031805602.db2.gz RUUDVSCXMZZESU-SFHVURJKSA-N 0 3 317.816 3.529 20 10 DHCDHN CCN(CC)c1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1F ZINC000846118826 1031866821 /nfs/dbraw/zinc/86/68/21/1031866821.db2.gz ZODMWMAWAJFZJK-INIZCTEOSA-N 0 3 312.379 3.903 20 10 DHCDHN COc1cccc([C@H](C)N[C@H]2CCOc3c(F)cccc32)c1O ZINC000846165891 1031895535 /nfs/dbraw/zinc/89/55/35/1031895535.db2.gz PFKJMSOBYFBRCR-NHYWBVRUSA-N 0 3 317.360 3.714 20 10 DHCDHN COc1cccc([C@@H](C)NCc2ccc(Cl)cc2OC)c1O ZINC000846146649 1031910977 /nfs/dbraw/zinc/91/09/77/1031910977.db2.gz RVYSZFKUADQMEW-LLVKDONJSA-N 0 3 321.804 3.914 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000846189879 1031920966 /nfs/dbraw/zinc/92/09/66/1031920966.db2.gz VPXBBJGLVUDCGD-MJGOQNOKSA-N 0 3 303.446 3.947 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000846189877 1031921947 /nfs/dbraw/zinc/92/19/47/1031921947.db2.gz VPXBBJGLVUDCGD-HKUYNNGSSA-N 0 3 303.446 3.947 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccncc2)C2CC2)c1[O-] ZINC000898322951 1032022078 /nfs/dbraw/zinc/02/20/78/1032022078.db2.gz VFDWWKRLOFYYCZ-INIZCTEOSA-N 0 3 318.804 3.690 20 10 DHCDHN COc1ccc(C[NH2+]C[C@@H](OC(C)C)c2ccccc2)c([O-])c1 ZINC000877493664 1033321201 /nfs/dbraw/zinc/32/12/01/1033321201.db2.gz ODFWJEXDGXQVJK-LJQANCHMSA-N 0 3 315.413 3.657 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000877516613 1033330424 /nfs/dbraw/zinc/33/04/24/1033330424.db2.gz GYAPVKDWLIOIKB-VAMGGRTRSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000877516613 1033330433 /nfs/dbraw/zinc/33/04/33/1033330433.db2.gz GYAPVKDWLIOIKB-VAMGGRTRSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1ccc(CNCc2c(F)cccc2N2CCCC2)c(O)c1 ZINC000877512899 1033331579 /nfs/dbraw/zinc/33/15/79/1033331579.db2.gz FNFPHRJIWNDHRV-UHFFFAOYSA-N 0 3 314.404 3.730 20 10 DHCDHN Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([O-])c1 ZINC000877519673 1033334358 /nfs/dbraw/zinc/33/43/58/1033334358.db2.gz ZEHHAKMEENOLML-VAMGGRTRSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([O-])c1 ZINC000877519673 1033334362 /nfs/dbraw/zinc/33/43/62/1033334362.db2.gz ZEHHAKMEENOLML-VAMGGRTRSA-N 0 3 323.436 3.705 20 10 DHCDHN Cc1cccc(O)c1CNCc1cccc(OC2CC2)c1F ZINC000877627915 1033388307 /nfs/dbraw/zinc/38/83/07/1033388307.db2.gz ZSJVLRDAWYWLKH-UHFFFAOYSA-N 0 3 301.361 3.671 20 10 DHCDHN COc1cc(Cl)cc(CN[C@@H](C)c2cnc(C)s2)c1O ZINC000877685335 1033412098 /nfs/dbraw/zinc/41/20/98/1033412098.db2.gz VEKCLSZFCGEHFO-QMMMGPOBSA-N 0 3 312.822 3.670 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnc(C)s2)c1[O-] ZINC000877685335 1033412103 /nfs/dbraw/zinc/41/21/03/1033412103.db2.gz VEKCLSZFCGEHFO-QMMMGPOBSA-N 0 3 312.822 3.670 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1[O-] ZINC000877757388 1033436194 /nfs/dbraw/zinc/43/61/94/1033436194.db2.gz WTABGAKAPDQLAN-LBPRGKRZSA-N 0 3 307.340 3.887 20 10 DHCDHN CCOC(=O)[C@H]1CC12CCC([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001173611204 1033792919 /nfs/dbraw/zinc/79/29/19/1033792919.db2.gz NYRYRVDMNOMBPV-NYNFEOTOSA-N 0 3 317.429 3.555 20 10 DHCDHN CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649055 1034072260 /nfs/dbraw/zinc/07/22/60/1034072260.db2.gz KOHBIYANCFZDLT-KGLIPLIRSA-N 0 3 312.413 3.632 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1[O-] ZINC000879650955 1034074181 /nfs/dbraw/zinc/07/41/81/1034074181.db2.gz ZUANFJGSHKGELZ-MGPLVRAMSA-N 0 3 309.768 3.569 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000183445242 1034388968 /nfs/dbraw/zinc/38/89/68/1034388968.db2.gz YEUPDFNRLHTWFF-CABCVRRESA-N 0 3 314.404 3.708 20 10 DHCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCCC2)o1 ZINC000183479984 1034390223 /nfs/dbraw/zinc/39/02/23/1034390223.db2.gz OEDIXOUXBJMODD-DOTOQJQBSA-N 0 3 314.429 3.781 20 10 DHCDHN COc1cc(F)c([C@H](C)N[C@@H](C)c2ccccc2O)cc1OC ZINC000183512902 1034393509 /nfs/dbraw/zinc/39/35/09/1034393509.db2.gz ZJBNOQFXDPKUKP-RYUDHWBXSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183512902 1034393520 /nfs/dbraw/zinc/39/35/20/1034393520.db2.gz ZJBNOQFXDPKUKP-RYUDHWBXSA-N 0 3 319.376 3.960 20 10 DHCDHN COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183597733 1034401658 /nfs/dbraw/zinc/40/16/58/1034401658.db2.gz SJCWTXLBFZQNTB-WMLDXEAASA-N 0 3 313.397 3.737 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794797966 1034470355 /nfs/dbraw/zinc/47/03/55/1034470355.db2.gz RMYMIAJTEJIMFV-ROUUACIJSA-N 0 3 304.478 3.862 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794797969 1034470680 /nfs/dbraw/zinc/47/06/80/1034470680.db2.gz RMYMIAJTEJIMFV-ZWKOTPCHSA-N 0 3 304.478 3.862 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794794328 1034475301 /nfs/dbraw/zinc/47/53/01/1034475301.db2.gz LWUSTEPWQNWBHI-ZBFHGGJFSA-N 0 3 313.397 3.581 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794805554 1034490552 /nfs/dbraw/zinc/49/05/52/1034490552.db2.gz XEUYIGMGNXGYHW-SCLBCKFNSA-N 0 3 315.461 3.723 20 10 DHCDHN CC[C@H](NCc1cn2ccsc2n1)c1ccc(C)cc1O ZINC000794805496 1034490757 /nfs/dbraw/zinc/49/07/57/1034490757.db2.gz XWLIJHUVASPEOC-AWEZNQCLSA-N 0 3 301.415 3.651 20 10 DHCDHN COc1cc(Cl)cc(CN(C)[C@@H](C)c2cccc(O)c2)c1O ZINC000184691613 1034492082 /nfs/dbraw/zinc/49/20/82/1034492082.db2.gz LOUWZSAKHKQYAJ-NSHDSACASA-N 0 3 321.804 3.953 20 10 DHCDHN COc1cc(Cl)cc(CNC2(c3cccc(F)c3)CC2)c1O ZINC000184708768 1034496904 /nfs/dbraw/zinc/49/69/04/1034496904.db2.gz CMCYFMOPXHGZEK-UHFFFAOYSA-N 0 3 321.779 3.972 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C2(c3cccc(F)c3)CC2)c1[O-] ZINC000184708768 1034496912 /nfs/dbraw/zinc/49/69/12/1034496912.db2.gz CMCYFMOPXHGZEK-UHFFFAOYSA-N 0 3 321.779 3.972 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccc(C)cc1[O-] ZINC000794817602 1034527168 /nfs/dbraw/zinc/52/71/68/1034527168.db2.gz UJCGWNJVZIMIOS-DLBZAZTESA-N 0 3 315.461 3.915 20 10 DHCDHN Cc1noc(C)c1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185136388 1034529640 /nfs/dbraw/zinc/52/96/40/1034529640.db2.gz FFLVTWYOBUWKGA-LLVKDONJSA-N 0 3 300.402 3.727 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1[O-] ZINC000185208135 1034535576 /nfs/dbraw/zinc/53/55/76/1034535576.db2.gz CSYZRRCDSUXMPI-QGZVFWFLSA-N 0 3 311.429 3.628 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794816797 1034537160 /nfs/dbraw/zinc/53/71/60/1034537160.db2.gz KQKZIYHCLKEZSX-PKOBYXMFSA-N 0 3 313.441 3.735 20 10 DHCDHN CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794819682 1034543602 /nfs/dbraw/zinc/54/36/02/1034543602.db2.gz XHKFVMIBIXSLMA-ICSRJNTNSA-N 0 3 311.425 3.575 20 10 DHCDHN CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(C)cc1[O-] ZINC000794829993 1034547962 /nfs/dbraw/zinc/54/79/62/1034547962.db2.gz XAGRYTVMQSRASV-LBPRGKRZSA-N 0 3 323.330 3.658 20 10 DHCDHN C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185532966 1034557531 /nfs/dbraw/zinc/55/75/31/1034557531.db2.gz BESNNKIMONORGB-SUMWQHHRSA-N 0 3 303.377 3.696 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000185714667 1034568738 /nfs/dbraw/zinc/56/87/38/1034568738.db2.gz QLKBBFPYAXNYSK-UHFFFAOYSA-N 0 3 311.425 3.869 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000186010631 1034592316 /nfs/dbraw/zinc/59/23/16/1034592316.db2.gz ZOJGSVCXVXHYAS-MEBBXXQBSA-N 0 3 305.324 3.845 20 10 DHCDHN C[C@@H](N[C@@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532519 1034638308 /nfs/dbraw/zinc/63/83/08/1034638308.db2.gz STYNFEHZFOXTNF-DYVFJYSZSA-N 0 3 315.413 3.638 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1[O-] ZINC000186518254 1034638665 /nfs/dbraw/zinc/63/86/65/1034638665.db2.gz UGACFSIQHDCTFH-SOUVJXGZSA-N 0 3 320.452 3.835 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)NCc2ccco2)c1O ZINC000186913823 1034672772 /nfs/dbraw/zinc/67/27/72/1034672772.db2.gz NDKXYWAQVFZBSJ-SNVBAGLBSA-N 0 3 310.191 3.907 20 10 DHCDHN CCN(C)c1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000773809309 1035471316 /nfs/dbraw/zinc/47/13/16/1035471316.db2.gz AYPRYXVMWJUDKD-UHFFFAOYSA-N 0 3 324.424 3.650 20 10 DHCDHN CCN(C)c1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000773831236 1035508214 /nfs/dbraw/zinc/50/82/14/1035508214.db2.gz IGUKHHFVHHPJAX-SFHVURJKSA-N 0 3 318.848 3.619 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001204278877 1035740715 /nfs/dbraw/zinc/74/07/15/1035740715.db2.gz LMJOHLNKWCYUEA-CYBMUJFWSA-N 0 3 303.789 3.741 20 10 DHCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001204278877 1035740732 /nfs/dbraw/zinc/74/07/32/1035740732.db2.gz LMJOHLNKWCYUEA-CYBMUJFWSA-N 0 3 303.789 3.741 20 10 DHCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CSc3ccccc32)c([O-])c1 ZINC001181973169 1036077402 /nfs/dbraw/zinc/07/74/02/1036077402.db2.gz XAJSGURXXBZNST-CYBMUJFWSA-N 0 3 315.438 3.688 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000774400153 1036319117 /nfs/dbraw/zinc/31/91/17/1036319117.db2.gz UENHCPWMIDNVKR-JJMVLAAESA-N 0 3 319.351 3.542 20 10 DHCDHN COc1cc(C)c(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC001182666101 1036412939 /nfs/dbraw/zinc/41/29/39/1036412939.db2.gz LGQMUHFFPJNECY-NSHDSACASA-N 0 3 318.244 3.773 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000775698696 1036473667 /nfs/dbraw/zinc/47/36/67/1036473667.db2.gz QWCWZWKJMQPVJB-QGZVFWFLSA-N 0 3 319.832 3.910 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000775698696 1036473674 /nfs/dbraw/zinc/47/36/74/1036473674.db2.gz QWCWZWKJMQPVJB-QGZVFWFLSA-N 0 3 319.832 3.910 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(Cl)cc1 ZINC001197004188 1036666867 /nfs/dbraw/zinc/66/68/67/1036666867.db2.gz PJRNHIWVKCMSCA-NWDGAFQWSA-N 0 3 318.804 3.723 20 10 DHCDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)ccn1 ZINC000762926958 1037079620 /nfs/dbraw/zinc/07/96/20/1037079620.db2.gz YGPWWBJMHTVJMN-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)ccn1 ZINC000762926958 1037079640 /nfs/dbraw/zinc/07/96/40/1037079640.db2.gz YGPWWBJMHTVJMN-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN CN(C)c1ccc(CN(C)CCC(=O)c2cccs2)cc1 ZINC001203937393 1037283067 /nfs/dbraw/zinc/28/30/67/1037283067.db2.gz PLZUPVWJKAAJFT-UHFFFAOYSA-N 0 3 302.443 3.519 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000775136791 1037689643 /nfs/dbraw/zinc/68/96/43/1037689643.db2.gz LTUQUKXKPGRKRN-LLVKDONJSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000775136791 1037689650 /nfs/dbraw/zinc/68/96/50/1037689650.db2.gz LTUQUKXKPGRKRN-LLVKDONJSA-N 0 3 303.324 3.565 20 10 DHCDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1O ZINC000153881291 1037703198 /nfs/dbraw/zinc/70/31/98/1037703198.db2.gz REJIHLXTFVUHOQ-UHFFFAOYSA-N 0 3 306.749 3.586 20 10 DHCDHN C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361809 1038272794 /nfs/dbraw/zinc/27/27/94/1038272794.db2.gz FWFDEMPJFFQSSS-OAHLLOKOSA-N 0 3 320.440 3.994 20 10 DHCDHN C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775365148 1038274950 /nfs/dbraw/zinc/27/49/50/1038274950.db2.gz UUMCYHTWWQZTNB-HNNXBMFYSA-N 0 3 320.440 3.994 20 10 DHCDHN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000775365148 1038274957 /nfs/dbraw/zinc/27/49/57/1038274957.db2.gz UUMCYHTWWQZTNB-HNNXBMFYSA-N 0 3 320.440 3.994 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000775490306 1038562781 /nfs/dbraw/zinc/56/27/81/1038562781.db2.gz BKNLKEYHYRALKM-QGZVFWFLSA-N 0 3 322.880 3.961 20 10 DHCDHN CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccccc1[O-] ZINC000775498090 1038581310 /nfs/dbraw/zinc/58/13/10/1038581310.db2.gz HBXBDXLEPMPPLJ-MRXNPFEDSA-N 0 3 300.402 3.654 20 10 DHCDHN CC[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC000775522199 1038624259 /nfs/dbraw/zinc/62/42/59/1038624259.db2.gz MAEOBEUMVFLYAI-GOEBONIOSA-N 0 3 313.397 3.663 20 10 DHCDHN CC[C@H](NCc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000775523060 1038630621 /nfs/dbraw/zinc/63/06/21/1038630621.db2.gz FJPCDWMOGPLXPJ-AWEZNQCLSA-N 0 3 313.376 3.659 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(F)ccc1F ZINC000170779215 1038960098 /nfs/dbraw/zinc/96/00/98/1038960098.db2.gz CSFWUOAQZMSFHY-GOSISDBHSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(F)ccc1F ZINC000170779215 1038960112 /nfs/dbraw/zinc/96/01/12/1038960112.db2.gz CSFWUOAQZMSFHY-GOSISDBHSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC(CC)(C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)OC ZINC000760884388 1038961533 /nfs/dbraw/zinc/96/15/33/1038961533.db2.gz QRXHELZFDIOJQH-WCQYABFASA-N 0 3 323.408 3.649 20 10 DHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000174375204 1040624456 /nfs/dbraw/zinc/62/44/56/1040624456.db2.gz FLWQGPPRSGVGFZ-OAHLLOKOSA-N 0 3 312.413 3.631 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccccc2C)c1[O-] ZINC000228668747 1041046041 /nfs/dbraw/zinc/04/60/41/1041046041.db2.gz XUEAVVJSHAHAPZ-UHFFFAOYSA-N 0 3 305.805 3.695 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccccc1[O-] ZINC000021810619 182292263 /nfs/dbraw/zinc/29/22/63/182292263.db2.gz RONNXXCMUDOCAN-GJZGRUSLSA-N 0 3 304.459 3.797 20 10 DHCDHN CCCOc1ccc(CN[C@@H](CCOC)c2ccco2)c(O)c1 ZINC000272615059 130047235 /nfs/dbraw/zinc/04/72/35/130047235.db2.gz VDUMHWZYTKWZIG-INIZCTEOSA-N 0 3 319.401 3.641 20 10 DHCDHN COc1cccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c1OC ZINC000273384173 130114289 /nfs/dbraw/zinc/11/42/89/130114289.db2.gz JBJKJVZKUNUDKH-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273491835 130127591 /nfs/dbraw/zinc/12/75/91/130127591.db2.gz NKXPKYACSRHRPX-IEBWSBKVSA-N 0 3 315.388 3.883 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273491835 130127595 /nfs/dbraw/zinc/12/75/95/130127595.db2.gz NKXPKYACSRHRPX-IEBWSBKVSA-N 0 3 315.388 3.883 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000273503920 130128987 /nfs/dbraw/zinc/12/89/87/130128987.db2.gz QSDVWZPXCLZPMF-ALLJEULLSA-N 0 3 317.454 3.850 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000273496209 130129317 /nfs/dbraw/zinc/12/93/17/130129317.db2.gz PFCAJDCJARFCSW-WNDFPBNNSA-N 0 3 321.417 3.681 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000273496203 130129714 /nfs/dbraw/zinc/12/97/14/130129714.db2.gz PFCAJDCJARFCSW-DRONIGIMSA-N 0 3 321.417 3.681 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000273506823 130130461 /nfs/dbraw/zinc/13/04/61/130130461.db2.gz RBTWRSOITUUTSX-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273517084 130130841 /nfs/dbraw/zinc/13/08/41/130130841.db2.gz RZIHQJKAVYOKJR-ZWKOTPCHSA-N 0 3 315.388 3.850 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000273532142 130133944 /nfs/dbraw/zinc/13/39/44/130133944.db2.gz WQSIJIBVARVPII-CQSZACIVSA-N 0 3 313.397 3.713 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]C2(c3ccccc3)CC2)c1[O-] ZINC000273750195 130162248 /nfs/dbraw/zinc/16/22/48/130162248.db2.gz NMGPYLNLERUOJJ-UHFFFAOYSA-N 0 3 303.789 3.833 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1[O-] ZINC000274941682 130276020 /nfs/dbraw/zinc/27/60/20/130276020.db2.gz SZQLSQMNOLJBOP-SUMWQHHRSA-N 0 3 324.424 3.713 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3ccccc3n2)c([O-])c1 ZINC000283998443 131039725 /nfs/dbraw/zinc/03/97/25/131039725.db2.gz HRFZVEXXOVWRMW-HNNXBMFYSA-N 0 3 309.413 3.550 20 10 DHCDHN C[C@H](NCc1ccnc(OC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000284376195 131075674 /nfs/dbraw/zinc/07/56/74/131075674.db2.gz NZZKALLZVXNLMT-LBPRGKRZSA-N 0 3 321.371 3.600 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c([O-])c1 ZINC000284872462 131118862 /nfs/dbraw/zinc/11/88/62/131118862.db2.gz AYWIPXKOSZPOQI-CYBMUJFWSA-N 0 3 304.821 3.951 20 10 DHCDHN C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000286870087 131253705 /nfs/dbraw/zinc/25/37/05/131253705.db2.gz BRZBVGAOPADQJK-BLLLJJGKSA-N 0 3 305.805 3.820 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]Cc2ccc(CSC)cc2)c1 ZINC000289186291 131364236 /nfs/dbraw/zinc/36/42/36/131364236.db2.gz AOXBFGYYWZQDJD-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1ccc(O)c(CNCc2ccc(CSC)cc2)c1 ZINC000289186291 131364238 /nfs/dbraw/zinc/36/42/38/131364238.db2.gz AOXBFGYYWZQDJD-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000293922969 131783828 /nfs/dbraw/zinc/78/38/28/131783828.db2.gz MSLUFJATZYZXNV-SAZUREKKSA-N 0 3 301.361 3.576 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000296238718 131950800 /nfs/dbraw/zinc/95/08/00/131950800.db2.gz ASQBCTCDADRXHO-VXGBXAGGSA-N 0 3 305.340 3.709 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000297386597 132013284 /nfs/dbraw/zinc/01/32/84/132013284.db2.gz RKXNCHIWIZFMHW-GXSJLCMTSA-N 0 3 309.303 3.539 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1F ZINC000297632013 132026421 /nfs/dbraw/zinc/02/64/21/132026421.db2.gz JJSQKGZVQMDNQV-HNNXBMFYSA-N 0 3 301.361 3.707 20 10 DHCDHN C[C@@H](c1ccccc1)[N@H+](CCc1cn[nH]c1)Cc1ccccc1[O-] ZINC000298553886 132067602 /nfs/dbraw/zinc/06/76/02/132067602.db2.gz VBSIRRVSRIRJOH-INIZCTEOSA-N 0 3 321.424 3.921 20 10 DHCDHN C[C@@H](c1ccccc1)[N@@H+](CCc1cn[nH]c1)Cc1ccccc1[O-] ZINC000298553886 132067603 /nfs/dbraw/zinc/06/76/03/132067603.db2.gz VBSIRRVSRIRJOH-INIZCTEOSA-N 0 3 321.424 3.921 20 10 DHCDHN COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000119638109 132134611 /nfs/dbraw/zinc/13/46/11/132134611.db2.gz ZPZAFFGSRQISAR-QWHCGFSZSA-N 0 3 301.386 3.821 20 10 DHCDHN COc1ccc(O)c(CN[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000121430205 132156118 /nfs/dbraw/zinc/15/61/18/132156118.db2.gz JTMQLBTUHLVZSC-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN COc1ccc([O-])c(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000121430205 132156119 /nfs/dbraw/zinc/15/61/19/132156119.db2.gz JTMQLBTUHLVZSC-LLVKDONJSA-N 0 3 323.339 3.853 20 10 DHCDHN COc1cccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)c1O ZINC000529568616 331612234 /nfs/dbraw/zinc/61/22/34/331612234.db2.gz TVWCLLAFCXHHJQ-HNNXBMFYSA-N 0 3 321.779 3.970 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000176981157 332966483 /nfs/dbraw/zinc/96/64/83/332966483.db2.gz AFUDNAHMVWUAAY-BBRMVZONSA-N 0 3 318.392 3.612 20 10 DHCDHN OCC1([C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2)CCC1 ZINC000293846326 335115197 /nfs/dbraw/zinc/11/51/97/335115197.db2.gz HMFHEUOAIRJDIN-FQEVSTJZSA-N 0 3 323.436 3.615 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cn1 ZINC000185398008 333208123 /nfs/dbraw/zinc/20/81/23/333208123.db2.gz OTYSMXODXNETIH-AWEZNQCLSA-N 0 3 300.402 3.735 20 10 DHCDHN CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)C(F)F ZINC000295048385 335130109 /nfs/dbraw/zinc/13/01/09/335130109.db2.gz NHORGQBVLWRPBT-RDJZCZTQSA-N 0 3 321.367 3.553 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295973587 335139110 /nfs/dbraw/zinc/13/91/10/335139110.db2.gz JLUSHRHMTHNTDU-KRWDZBQOSA-N 0 3 319.470 3.920 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296182074 335140463 /nfs/dbraw/zinc/14/04/63/335140463.db2.gz XWQNENVHMRJBOX-NWDGAFQWSA-N 0 3 316.357 3.721 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000297250610 335152231 /nfs/dbraw/zinc/15/22/31/335152231.db2.gz JGNZJOXEMSSCPD-WDEREUQCSA-N 0 3 304.321 3.851 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000271362385 334021388 /nfs/dbraw/zinc/02/13/88/334021388.db2.gz NPNMQTASPHGNMK-GOEBONIOSA-N 0 3 303.427 3.542 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000271362385 334021389 /nfs/dbraw/zinc/02/13/89/334021389.db2.gz NPNMQTASPHGNMK-GOEBONIOSA-N 0 3 303.427 3.542 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc2ccccc2c1[O-] ZINC000278983487 334104566 /nfs/dbraw/zinc/10/45/66/334104566.db2.gz PCWJDWKURIMRIA-CABCVRRESA-N 0 3 321.424 3.655 20 10 DHCDHN CC[C@H](NCc1cn2ccc(C)cc2n1)c1ccc(C)cc1O ZINC000280200716 334115249 /nfs/dbraw/zinc/11/52/49/334115249.db2.gz SSWJGDYODKKQEA-KRWDZBQOSA-N 0 3 309.413 3.898 20 10 DHCDHN CN(C)c1ccc(CNCc2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000280998374 334122143 /nfs/dbraw/zinc/12/21/43/334122143.db2.gz VTFOSWIUEGDHLU-UHFFFAOYSA-N 0 3 324.346 3.767 20 10 DHCDHN CCCOc1ccc(C[NH2+]CCCc2ncccc2C)c([O-])c1 ZINC000295081633 334217923 /nfs/dbraw/zinc/21/79/23/334217923.db2.gz SBGSTOOFSZYLNJ-UHFFFAOYSA-N 0 3 314.429 3.607 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccccc1[O-] ZINC000295115362 334218948 /nfs/dbraw/zinc/21/89/48/334218948.db2.gz WQMLWAVNSXYVPM-HHXXYDBFSA-N 0 3 312.413 3.748 20 10 DHCDHN CC[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000367639676 336827137 /nfs/dbraw/zinc/82/71/37/336827137.db2.gz WORVVELCMMHYEB-DQPZFDDXSA-N 0 3 306.425 3.589 20 10 DHCDHN C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(F)ccc1[O-] ZINC000367705125 336828337 /nfs/dbraw/zinc/82/83/37/336828337.db2.gz GRNLMXSCWQFZMT-CYBMUJFWSA-N 0 3 300.377 3.699 20 10 DHCDHN COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000371869300 336915230 /nfs/dbraw/zinc/91/52/30/336915230.db2.gz GCHYDGJDBBQCNR-MEDUHNTESA-N 0 3 317.360 3.714 20 10 DHCDHN CCCn1nccc1C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000374371424 336988358 /nfs/dbraw/zinc/98/83/58/336988358.db2.gz KJLDYQTXMQTJEU-UHFFFAOYSA-N 0 3 313.445 3.687 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000374710128 336995614 /nfs/dbraw/zinc/99/56/14/336995614.db2.gz BUYCRSQPANTYCH-SOVGHPHASA-N 0 3 314.404 3.627 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450755 337011271 /nfs/dbraw/zinc/01/12/71/337011271.db2.gz DEHSVIHZBGBWNE-HOCLYGCPSA-N 0 3 313.445 3.686 20 10 DHCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1[O-] ZINC000375531172 337012975 /nfs/dbraw/zinc/01/29/75/337012975.db2.gz ZPMLVTZMZIMWRM-LMMKCTJWSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1[O-] ZINC000375531172 337012976 /nfs/dbraw/zinc/01/29/76/337012976.db2.gz ZPMLVTZMZIMWRM-LMMKCTJWSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c([O-])c1 ZINC000377348173 337050917 /nfs/dbraw/zinc/05/09/17/337050917.db2.gz WJFZXPBRMUBLRG-GOEBONIOSA-N 0 3 313.445 3.686 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000377694275 337058673 /nfs/dbraw/zinc/05/86/73/337058673.db2.gz IFDVXLDHLNSBMU-GFIVTLFCSA-N 0 3 319.445 3.502 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000377694275 337058674 /nfs/dbraw/zinc/05/86/74/337058674.db2.gz IFDVXLDHLNSBMU-GFIVTLFCSA-N 0 3 319.445 3.502 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377835783 337062192 /nfs/dbraw/zinc/06/21/92/337062192.db2.gz WLVGGUYVJYCQJA-HRCADAONSA-N 0 3 319.445 3.600 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377835783 337062193 /nfs/dbraw/zinc/06/21/93/337062193.db2.gz WLVGGUYVJYCQJA-HRCADAONSA-N 0 3 319.445 3.600 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@H](c3ncc(C)s3)C2)c1[O-] ZINC000360075871 337084907 /nfs/dbraw/zinc/08/49/07/337084907.db2.gz NXZMXCXAADRUCO-AWEZNQCLSA-N 0 3 318.442 3.545 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@H](c3ncc(C)s3)C2)c1[O-] ZINC000360075871 337084908 /nfs/dbraw/zinc/08/49/08/337084908.db2.gz NXZMXCXAADRUCO-AWEZNQCLSA-N 0 3 318.442 3.545 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000179556292 337170305 /nfs/dbraw/zinc/17/03/05/337170305.db2.gz KBAMQOUQGQNLDH-OAHLLOKOSA-N 0 3 308.381 3.913 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000179556292 337170306 /nfs/dbraw/zinc/17/03/06/337170306.db2.gz KBAMQOUQGQNLDH-OAHLLOKOSA-N 0 3 308.381 3.913 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000105482389 337386749 /nfs/dbraw/zinc/38/67/49/337386749.db2.gz ZVBYANTUECKOIN-UHFFFAOYSA-N 0 3 312.344 3.519 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)c1 ZINC000248517124 337564270 /nfs/dbraw/zinc/56/42/70/337564270.db2.gz PCJAHJLJCNAIQF-OGHNNQOOSA-N 0 3 313.397 3.616 20 10 DHCDHN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000527929221 337776275 /nfs/dbraw/zinc/77/62/75/337776275.db2.gz PGKGPNSIJVALBF-CABCVRRESA-N 0 3 303.446 3.738 20 10 DHCDHN CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183394449 519521269 /nfs/dbraw/zinc/52/12/69/519521269.db2.gz VQLBYAAVNJXYAO-AWEZNQCLSA-N 0 3 312.413 3.838 20 10 DHCDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000181921363 519733126 /nfs/dbraw/zinc/73/31/26/519733126.db2.gz HYGNCGDTWKYKLA-CQSZACIVSA-N 0 3 311.429 3.562 20 10 DHCDHN CN(C)c1ccc(CNCc2ccc(OC(C)(C)C)nc2)cc1 ZINC000180888611 522209806 /nfs/dbraw/zinc/20/98/06/522209806.db2.gz NTMKXEQFKMZUIX-UHFFFAOYSA-N 0 3 313.445 3.615 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(C)cc1[O-] ZINC000366418502 522613588 /nfs/dbraw/zinc/61/35/88/522613588.db2.gz NAZSBQYDJGJFIG-YOEHRIQHSA-N 0 3 324.424 3.867 20 10 DHCDHN CC[C@H](N[C@H](C)c1cnn(C)c1C)c1ccc(N(C)C)cc1 ZINC000177960627 522740816 /nfs/dbraw/zinc/74/08/16/522740816.db2.gz YZMDVGUZDUOQOD-ACJLOTCBSA-N 0 3 300.450 3.596 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1[O-] ZINC000364909078 522753969 /nfs/dbraw/zinc/75/39/69/522753969.db2.gz RZRWVOBEXSOSHD-ROUUACIJSA-N 0 3 324.424 3.931 20 10 DHCDHN CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1CO)c1ccccc1[O-] ZINC000365160152 522763178 /nfs/dbraw/zinc/76/31/78/522763178.db2.gz WMXJGTBOZQFDQY-MOXGXCLJSA-N 0 3 311.425 3.729 20 10 DHCDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccsc2)cc1OC ZINC000159840849 522773684 /nfs/dbraw/zinc/77/36/84/522773684.db2.gz MQZDMPUEMJFHBL-CQSZACIVSA-N 0 3 319.426 3.808 20 10 DHCDHN CC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000156869801 522820441 /nfs/dbraw/zinc/82/04/41/522820441.db2.gz BSAXQIKKQLFULX-MJGOQNOKSA-N 0 3 311.425 3.947 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156231447 522853962 /nfs/dbraw/zinc/85/39/62/522853962.db2.gz VUESBMJBWKSLIM-XJKSGUPXSA-N 0 3 310.397 3.559 20 10 DHCDHN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)cc(C)c1O ZINC000264967237 524762218 /nfs/dbraw/zinc/76/22/18/524762218.db2.gz PSPKCWKAILPRCI-UHFFFAOYSA-N 0 3 302.393 3.504 20 10 DHCDHN CCSc1cccc(CNCc2cccc(OC)c2O)c1 ZINC000289416014 535742071 /nfs/dbraw/zinc/74/20/71/535742071.db2.gz INEPDWRDVMKTFT-UHFFFAOYSA-N 0 3 303.427 3.803 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(C)c1[O-])c1ccc(OC)c(OC)c1 ZINC000289313224 535918814 /nfs/dbraw/zinc/91/88/14/535918814.db2.gz DXUNLGBDXBCCOQ-INIZCTEOSA-N 0 3 315.413 3.959 20 10 DHCDHN COCCOc1ccccc1CN[C@H](C)c1cc(C)ccc1O ZINC000273367191 536732967 /nfs/dbraw/zinc/73/29/67/536732967.db2.gz FFMXASKPDGBQAK-OAHLLOKOSA-N 0 3 315.413 3.577 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1[O-] ZINC000154916222 1013084472 /nfs/dbraw/zinc/08/44/72/1013084472.db2.gz ZIMLTHLOCFBOOX-RDTXWAMCSA-N 0 3 322.412 3.775 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccccc1[O-] ZINC000155118105 1013221221 /nfs/dbraw/zinc/22/12/21/1013221221.db2.gz VTVAKKHBDFWJJG-GOSISDBHSA-N 0 3 315.413 3.658 20 10 DHCDHN CC[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000796675373 1013935151 /nfs/dbraw/zinc/93/51/51/1013935151.db2.gz NSBONVLRJQIRBS-KRWDZBQOSA-N 0 3 308.441 3.694 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000070976152 1014080057 /nfs/dbraw/zinc/08/00/57/1014080057.db2.gz GXRDQLUDFPVHCQ-SFHVURJKSA-N 0 3 315.388 3.713 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000070976152 1014080060 /nfs/dbraw/zinc/08/00/60/1014080060.db2.gz GXRDQLUDFPVHCQ-SFHVURJKSA-N 0 3 315.388 3.713 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CF)CCOCC2)c1[O-] ZINC000834883053 1014943011 /nfs/dbraw/zinc/94/30/11/1014943011.db2.gz HDBGNKRNUVNNBJ-GFCCVEGCSA-N 0 3 315.816 3.771 20 10 DHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896224881 1015510073 /nfs/dbraw/zinc/51/00/73/1015510073.db2.gz PUGUYICSPHQWOD-CYBMUJFWSA-N 0 3 303.299 3.567 20 10 DHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896224881 1015510079 /nfs/dbraw/zinc/51/00/79/1015510079.db2.gz PUGUYICSPHQWOD-CYBMUJFWSA-N 0 3 303.299 3.567 20 10 DHCDHN CCC[N@H+](CCSc1ccncc1)Cc1ccccc1[O-] ZINC001167522275 1016296297 /nfs/dbraw/zinc/29/62/97/1016296297.db2.gz XCYAQGZAMJNRBO-UHFFFAOYSA-N 0 3 302.443 3.792 20 10 DHCDHN CCC[N@@H+](CCSc1ccncc1)Cc1ccccc1[O-] ZINC001167522275 1016296301 /nfs/dbraw/zinc/29/63/01/1016296301.db2.gz XCYAQGZAMJNRBO-UHFFFAOYSA-N 0 3 302.443 3.792 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c([O-])c1 ZINC000184835056 1016389624 /nfs/dbraw/zinc/38/96/24/1016389624.db2.gz IWAHDZNWYUXVQV-KDOFPFPSSA-N 0 3 316.420 3.793 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)c([O-])c1 ZINC000184987060 1016480457 /nfs/dbraw/zinc/48/04/57/1016480457.db2.gz IGSATQTYYFZQNB-MRXNPFEDSA-N 0 3 321.424 3.796 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c([O-])c1 ZINC000185079987 1016546104 /nfs/dbraw/zinc/54/61/04/1016546104.db2.gz CICFSMUKIDNVMH-KDOFPFPSSA-N 0 3 316.420 3.793 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c([O-])c1 ZINC000185080039 1016547147 /nfs/dbraw/zinc/54/71/47/1016547147.db2.gz CICFSMUKIDNVMH-KBXCAEBGSA-N 0 3 316.420 3.793 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC000185165493 1016689548 /nfs/dbraw/zinc/68/95/48/1016689548.db2.gz MMTKAODPCWMXAK-HNNXBMFYSA-N 0 3 307.397 3.737 20 10 DHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000848551152 1016875704 /nfs/dbraw/zinc/87/57/04/1016875704.db2.gz FGMWPUQGBLTPGC-BDAKNGLRSA-N 0 3 320.202 3.562 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1cc(F)ccc1[O-] ZINC000840775492 1016954180 /nfs/dbraw/zinc/95/41/80/1016954180.db2.gz PWWPZTORNKUMPF-UONOGXRCSA-N 0 3 302.393 3.988 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)c([O-])c1 ZINC000877493652 1033322401 /nfs/dbraw/zinc/32/24/01/1033322401.db2.gz NMDUJGZIXYPOKN-TUKIKUTGSA-N 0 3 303.427 3.744 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1cnc2c(C)cccn12 ZINC000475199440 1017076756 /nfs/dbraw/zinc/07/67/56/1017076756.db2.gz VFVJHWQKNMIVSM-UHFFFAOYSA-N 0 3 318.424 3.733 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1[O-] ZINC001171345631 1032507574 /nfs/dbraw/zinc/50/75/74/1032507574.db2.gz LSOMURQLJQKYOT-BXUZGUMPSA-N 0 3 303.352 3.879 20 10 DHCDHN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808709440 1032516224 /nfs/dbraw/zinc/51/62/24/1032516224.db2.gz BDSJCDCJYVHRRH-LDYMZIIASA-N 0 3 311.731 3.582 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc3c(c2)OCO3)ccc1N(C)C ZINC000772999522 1032519358 /nfs/dbraw/zinc/51/93/58/1032519358.db2.gz LRNHXYTZQMRRGH-CQSZACIVSA-N 0 3 312.413 3.641 20 10 DHCDHN CCN(CC)c1ccc(CN2CC[C@H](OC)C[C@@H]2C)cc1F ZINC000799736361 1012495754 /nfs/dbraw/zinc/49/57/54/1012495754.db2.gz OZELKHKMNBIDPZ-HOCLYGCPSA-N 0 3 308.441 3.671 20 10 DHCDHN Cc1ccc(CNCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000115629096 1032681639 /nfs/dbraw/zinc/68/16/39/1032681639.db2.gz PDERBRCYDWHDRL-UHFFFAOYSA-N 0 3 313.401 3.567 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916494 1017226698 /nfs/dbraw/zinc/22/66/98/1017226698.db2.gz MPIHYGWXOUNNGR-SJORKVTESA-N 0 3 314.429 3.863 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010825 1032741663 /nfs/dbraw/zinc/74/16/63/1032741663.db2.gz NFHWCLDIXPOUPV-SFHVURJKSA-N 0 3 324.424 3.708 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858010825 1032741681 /nfs/dbraw/zinc/74/16/81/1032741681.db2.gz NFHWCLDIXPOUPV-SFHVURJKSA-N 0 3 324.424 3.708 20 10 DHCDHN Oc1cc2c(cc1CNC1(c3nccs3)CCCC1)CCC2 ZINC000764123735 1018166789 /nfs/dbraw/zinc/16/67/89/1018166789.db2.gz IPGDVKXCYPGAEK-UHFFFAOYSA-N 0 3 314.454 3.897 20 10 DHCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCCC13CCCC3)OCO2 ZINC000320731534 1018495047 /nfs/dbraw/zinc/49/50/47/1018495047.db2.gz RZCCZZHDXLTLIV-QGZVFWFLSA-N 0 3 303.402 3.714 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000765328368 1018756825 /nfs/dbraw/zinc/75/68/25/1018756825.db2.gz FHHDVVPJPOMHMF-CABCVRRESA-N 0 3 316.470 3.997 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2 ZINC000921519577 1018814565 /nfs/dbraw/zinc/81/45/65/1018814565.db2.gz IPAVXVNWTSNSOL-CYBMUJFWSA-N 0 3 311.381 3.591 20 10 DHCDHN COc1cccc(C2(NCc3ccc4c(c3)CCCO4)CC2)c1 ZINC000921838027 1018933026 /nfs/dbraw/zinc/93/30/26/1018933026.db2.gz MKGHMTBIMGGWDK-UHFFFAOYSA-N 0 3 309.409 3.799 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000728593380 1019707593 /nfs/dbraw/zinc/70/75/93/1019707593.db2.gz PWZFSBOTHQBBMG-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(cc1O)CCC2 ZINC000727429372 1019713541 /nfs/dbraw/zinc/71/35/41/1019713541.db2.gz JRSRSKVXTWJAGM-YCRPNKLZSA-N 0 3 323.436 3.843 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccc2c1OCCO2 ZINC000727830553 1019816987 /nfs/dbraw/zinc/81/69/87/1019816987.db2.gz BKUFLUVBPWYFLS-UHFFFAOYSA-N 0 3 313.397 3.576 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccc2c1OCCO2 ZINC000727830553 1019816998 /nfs/dbraw/zinc/81/69/98/1019816998.db2.gz BKUFLUVBPWYFLS-UHFFFAOYSA-N 0 3 313.397 3.576 20 10 DHCDHN CCC[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1[O-] ZINC000727831242 1019818179 /nfs/dbraw/zinc/81/81/79/1019818179.db2.gz QELUOYQUTHCRPW-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1[O-] ZINC000727831242 1019818189 /nfs/dbraw/zinc/81/81/89/1019818189.db2.gz QELUOYQUTHCRPW-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2cccnc2OCC(F)F)c(O)c1 ZINC000186199349 1019879644 /nfs/dbraw/zinc/87/96/44/1019879644.db2.gz TXDCQJQAQBWJSA-GFCCVEGCSA-N 0 3 322.355 3.590 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccccc1[O-] ZINC000309647228 1019923400 /nfs/dbraw/zinc/92/34/00/1019923400.db2.gz DDHQLKZRCXHFQF-TXPKVOOTSA-N 0 3 310.441 3.706 20 10 DHCDHN c1ccc2c(c1)nccc2NCc1ccc(N2CCCC2)cc1 ZINC000731968508 1020183268 /nfs/dbraw/zinc/18/32/68/1020183268.db2.gz CHPUBCZXERTSNH-UHFFFAOYSA-N 0 3 303.409 3.869 20 10 DHCDHN C[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000310081246 1020329854 /nfs/dbraw/zinc/32/98/54/1020329854.db2.gz JLBRBZKNMDZVKV-LAUBAEHRSA-N 0 3 324.468 3.955 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000179568251 1020410327 /nfs/dbraw/zinc/41/03/27/1020410327.db2.gz NAOGQGXKGFMHPG-MRXNPFEDSA-N 0 3 311.381 3.501 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000179568251 1020410330 /nfs/dbraw/zinc/41/03/30/1020410330.db2.gz NAOGQGXKGFMHPG-MRXNPFEDSA-N 0 3 311.381 3.501 20 10 DHCDHN CC(C)C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1 ZINC000179576573 1020410589 /nfs/dbraw/zinc/41/05/89/1020410589.db2.gz MEWIAGXROOVSDE-IBGZPJMESA-N 0 3 317.404 3.723 20 10 DHCDHN CC(C)C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1 ZINC000179576573 1020410596 /nfs/dbraw/zinc/41/05/96/1020410596.db2.gz MEWIAGXROOVSDE-IBGZPJMESA-N 0 3 317.404 3.723 20 10 DHCDHN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000766043575 1020564043 /nfs/dbraw/zinc/56/40/43/1020564043.db2.gz MURBXFJYSAGMAF-FZKQIMNGSA-N 0 3 310.445 3.579 20 10 DHCDHN Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])nc1 ZINC000858488121 1032915656 /nfs/dbraw/zinc/91/56/56/1032915656.db2.gz NWNNGHTYOKAIDE-ZDUSSCGKSA-N 0 3 302.393 3.863 20 10 DHCDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@H]2CCO[C@@H]21 ZINC000741255129 1020994346 /nfs/dbraw/zinc/99/43/46/1020994346.db2.gz GCCDRMGVOVAKLE-RLLQIKCJSA-N 0 3 323.436 3.962 20 10 DHCDHN CCN(C)c1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000741752614 1021048554 /nfs/dbraw/zinc/04/85/54/1021048554.db2.gz COKCRKQMNAZCOO-UHFFFAOYSA-N 0 3 312.413 3.503 20 10 DHCDHN CCC[N@H+](Cc1cnc(OC)c(Cl)c1)Cc1ccccc1[O-] ZINC000751996308 1021100997 /nfs/dbraw/zinc/10/09/97/1021100997.db2.gz CYHUKXIIDBCFQD-UHFFFAOYSA-N 0 3 320.820 3.861 20 10 DHCDHN CCC[N@@H+](Cc1cnc(OC)c(Cl)c1)Cc1ccccc1[O-] ZINC000751996308 1021101001 /nfs/dbraw/zinc/10/10/01/1021101001.db2.gz CYHUKXIIDBCFQD-UHFFFAOYSA-N 0 3 320.820 3.861 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC000743377544 1021284608 /nfs/dbraw/zinc/28/46/08/1021284608.db2.gz PSGHADVZFIUKBH-BETUJISGSA-N 0 3 317.454 3.880 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)S[C@@H](C)C3)c2c1 ZINC000743377544 1021284615 /nfs/dbraw/zinc/28/46/15/1021284615.db2.gz PSGHADVZFIUKBH-BETUJISGSA-N 0 3 317.454 3.880 20 10 DHCDHN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000743500374 1021305718 /nfs/dbraw/zinc/30/57/18/1021305718.db2.gz ZCRAOBZXPKZSKJ-DNVCBOLYSA-N 0 3 313.441 3.946 20 10 DHCDHN Cn1ncc(C2CC2)c1CNCc1ccc(N2CCCCC2)cc1 ZINC000850095825 1021418817 /nfs/dbraw/zinc/41/88/17/1021418817.db2.gz MFXUIVSOFPNVRM-UHFFFAOYSA-N 0 3 324.472 3.578 20 10 DHCDHN COc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1C ZINC000850394744 1021507203 /nfs/dbraw/zinc/50/72/03/1021507203.db2.gz BQVLHJMBHZWGKK-UXHICEINSA-N 0 3 313.441 3.851 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)CCCO2 ZINC000850431000 1021528843 /nfs/dbraw/zinc/52/88/43/1021528843.db2.gz XUXFOFPTXTYDMO-AWEZNQCLSA-N 0 3 309.409 3.797 20 10 DHCDHN CC[C@H](NCc1c(OC)cccc1OC)c1ccccc1O ZINC000850505072 1021566679 /nfs/dbraw/zinc/56/66/79/1021566679.db2.gz MASSLVQLYXSRLE-HNNXBMFYSA-N 0 3 301.386 3.650 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000850515296 1021573668 /nfs/dbraw/zinc/57/36/68/1021573668.db2.gz VYFVWGNZPLIQFB-MSOLQXFVSA-N 0 3 315.413 3.829 20 10 DHCDHN C[C@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850583552 1021622482 /nfs/dbraw/zinc/62/24/82/1021622482.db2.gz LJSDXZVJSMFDGM-NCPSFGDWSA-N 0 3 315.388 3.791 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCc1cccs1)C[C@@H]1CCCO1 ZINC000109761868 1021744528 /nfs/dbraw/zinc/74/45/28/1021744528.db2.gz ZKGONFFMDRHMQU-INIZCTEOSA-N 0 3 317.454 3.677 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCc1cccs1)C[C@@H]1CCCO1 ZINC000109761868 1021744542 /nfs/dbraw/zinc/74/45/42/1021744542.db2.gz ZKGONFFMDRHMQU-INIZCTEOSA-N 0 3 317.454 3.677 20 10 DHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc2ccccc2n1 ZINC000851722615 1021973175 /nfs/dbraw/zinc/97/31/75/1021973175.db2.gz YBYBRRQRPINXFF-UHFFFAOYSA-N 0 3 320.440 3.718 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)C1CCCC1 ZINC000851770675 1021993821 /nfs/dbraw/zinc/99/38/21/1021993821.db2.gz TYGSLFMCDJJOPE-INIZCTEOSA-N 0 3 311.372 3.561 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCO[C@H]1CC1(F)F)C1CCCC1 ZINC000851770675 1021993830 /nfs/dbraw/zinc/99/38/30/1021993830.db2.gz TYGSLFMCDJJOPE-INIZCTEOSA-N 0 3 311.372 3.561 20 10 DHCDHN C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccccc1[O-] ZINC000183428008 1022142325 /nfs/dbraw/zinc/14/23/25/1022142325.db2.gz VIAGDPCWJRGFGE-HNNXBMFYSA-N 0 3 311.429 3.628 20 10 DHCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])c2ccccc2n1 ZINC000183534339 1022173942 /nfs/dbraw/zinc/17/39/42/1022173942.db2.gz JWMLPHQOZIADMI-CYBMUJFWSA-N 0 3 308.381 3.800 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000183632361 1022217057 /nfs/dbraw/zinc/21/70/57/1022217057.db2.gz CGRMPTNELBODLR-LSDHHAIUSA-N 0 3 314.404 3.851 20 10 DHCDHN C[C@@H]1CN(Cc2c(O)ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631259 1022301211 /nfs/dbraw/zinc/30/12/11/1022301211.db2.gz UQQOLVZOYMFBEF-KZULUSFZSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631259 1022301226 /nfs/dbraw/zinc/30/12/26/1022301226.db2.gz UQQOLVZOYMFBEF-KZULUSFZSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@](C)(C(F)F)O1 ZINC000853631259 1022301242 /nfs/dbraw/zinc/30/12/42/1022301242.db2.gz UQQOLVZOYMFBEF-KZULUSFZSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(F)ccc1[O-] ZINC000185233962 1022468777 /nfs/dbraw/zinc/46/87/77/1022468777.db2.gz ATYBQXCSXNGXAH-CYBMUJFWSA-N 0 3 314.404 3.765 20 10 DHCDHN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000179562952 1022471392 /nfs/dbraw/zinc/47/13/92/1022471392.db2.gz SZXPNGIFCJKYSS-UHFFFAOYSA-N 0 3 300.358 3.711 20 10 DHCDHN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000179562952 1022471435 /nfs/dbraw/zinc/47/14/35/1022471435.db2.gz SZXPNGIFCJKYSS-UHFFFAOYSA-N 0 3 300.358 3.711 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Br ZINC001237678302 1022520794 /nfs/dbraw/zinc/52/07/94/1022520794.db2.gz XXXWNIPHGOISAH-TXEJJXNPSA-N 0 3 310.235 3.695 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Br ZINC001237678302 1022520806 /nfs/dbraw/zinc/52/08/06/1022520806.db2.gz XXXWNIPHGOISAH-TXEJJXNPSA-N 0 3 310.235 3.695 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000186009448 1022541092 /nfs/dbraw/zinc/54/10/92/1022541092.db2.gz DJCJOLDBFWMPHX-MEDUHNTESA-N 0 3 317.360 3.714 20 10 DHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC2(C)C)c1[O-] ZINC000179817674 1022550320 /nfs/dbraw/zinc/55/03/20/1022550320.db2.gz XIQJCGYOJBQGGA-UHFFFAOYSA-N 0 3 314.223 3.538 20 10 DHCDHN COc1cc(Br)cc(C[N@H+]2CCCC2(C)C)c1[O-] ZINC000179817674 1022550327 /nfs/dbraw/zinc/55/03/27/1022550327.db2.gz XIQJCGYOJBQGGA-UHFFFAOYSA-N 0 3 314.223 3.538 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000179889349 1022575692 /nfs/dbraw/zinc/57/56/92/1022575692.db2.gz QIGGWQTXCCUYGW-HNNXBMFYSA-N 0 3 321.417 3.774 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000179889349 1022575698 /nfs/dbraw/zinc/57/56/98/1022575698.db2.gz QIGGWQTXCCUYGW-HNNXBMFYSA-N 0 3 321.417 3.774 20 10 DHCDHN Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccccc1[O-] ZINC000237895993 1022598601 /nfs/dbraw/zinc/59/86/01/1022598601.db2.gz IDLDVONZLZKBMJ-UHFFFAOYSA-N 0 3 321.424 3.609 20 10 DHCDHN COc1ccc(CNCc2cc(C)ccc2O)c(OC(F)F)c1 ZINC000742373881 1022825671 /nfs/dbraw/zinc/82/56/71/1022825671.db2.gz SZIIWMFMMKDWCW-UHFFFAOYSA-N 0 3 323.339 3.600 20 10 DHCDHN COc1ccc(O)c(CNCc2ccc(-c3ccccc3)o2)c1 ZINC000114506281 1022841865 /nfs/dbraw/zinc/84/18/65/1022841865.db2.gz OAYADBXRFJFCLF-UHFFFAOYSA-N 0 3 309.365 3.951 20 10 DHCDHN CCOc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000768169804 1022911155 /nfs/dbraw/zinc/91/11/55/1022911155.db2.gz XDXUGOWHDGLXOB-GFCCVEGCSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000768169804 1022911166 /nfs/dbraw/zinc/91/11/66/1022911166.db2.gz XDXUGOWHDGLXOB-GFCCVEGCSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000768169804 1022911172 /nfs/dbraw/zinc/91/11/72/1022911172.db2.gz XDXUGOWHDGLXOB-GFCCVEGCSA-N 0 3 303.324 3.565 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000876558117 1033091800 /nfs/dbraw/zinc/09/18/00/1033091800.db2.gz IIOUENLSLVRBOG-FQEVSTJZSA-N 0 3 311.425 3.646 20 10 DHCDHN CCOc1ccc(CN(CCOC)Cc2cccs2)c(O)c1 ZINC000768197680 1022926197 /nfs/dbraw/zinc/92/61/97/1022926197.db2.gz LUCKESXEGYOPKK-UHFFFAOYSA-N 0 3 321.442 3.501 20 10 DHCDHN CCOc1ccc(C[N@H+](CCOC)Cc2cccs2)c([O-])c1 ZINC000768197680 1022926206 /nfs/dbraw/zinc/92/62/06/1022926206.db2.gz LUCKESXEGYOPKK-UHFFFAOYSA-N 0 3 321.442 3.501 20 10 DHCDHN CCOc1ccc(C[N@@H+](CCOC)Cc2cccs2)c([O-])c1 ZINC000768197680 1022926213 /nfs/dbraw/zinc/92/62/13/1022926213.db2.gz LUCKESXEGYOPKK-UHFFFAOYSA-N 0 3 321.442 3.501 20 10 DHCDHN COCC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541273 1022985870 /nfs/dbraw/zinc/98/58/70/1022985870.db2.gz MGTJVICNUMHIME-CQSZACIVSA-N 0 3 311.853 3.993 20 10 DHCDHN COCC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541273 1022985880 /nfs/dbraw/zinc/98/58/80/1022985880.db2.gz MGTJVICNUMHIME-CQSZACIVSA-N 0 3 311.853 3.993 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c([O-])c1 ZINC000769106452 1023084549 /nfs/dbraw/zinc/08/45/49/1023084549.db2.gz TXUMWXJCZXAGMQ-GOSISDBHSA-N 0 3 313.397 3.834 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c([O-])c1 ZINC000769106452 1023084562 /nfs/dbraw/zinc/08/45/62/1023084562.db2.gz TXUMWXJCZXAGMQ-GOSISDBHSA-N 0 3 313.397 3.834 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CSc3ccccc32)c1 ZINC000756588273 1023084905 /nfs/dbraw/zinc/08/49/05/1023084905.db2.gz GVUADANHEDXAFQ-XHDPSFHLSA-N 0 3 301.411 3.898 20 10 DHCDHN CCCN(Cc1nn(C)c2ccccc12)Cc1ccccc1O ZINC000769201308 1023101882 /nfs/dbraw/zinc/10/18/82/1023101882.db2.gz RPTCDAWSRQSWJH-UHFFFAOYSA-N 0 3 309.413 3.691 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000769218869 1023103060 /nfs/dbraw/zinc/10/30/60/1023103060.db2.gz UXLNCDQZWQELSF-UHFFFAOYSA-N 0 3 319.445 3.715 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000769340754 1023128648 /nfs/dbraw/zinc/12/86/48/1023128648.db2.gz XUITVVNUUDVOBN-AWEZNQCLSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000769340754 1023128649 /nfs/dbraw/zinc/12/86/49/1023128649.db2.gz XUITVVNUUDVOBN-AWEZNQCLSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000769339374 1023129488 /nfs/dbraw/zinc/12/94/88/1023129488.db2.gz WCXAIZRNBAMKCE-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000769339374 1023129494 /nfs/dbraw/zinc/12/94/94/1023129494.db2.gz WCXAIZRNBAMKCE-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN CCCO[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769384287 1023137657 /nfs/dbraw/zinc/13/76/57/1023137657.db2.gz NETDYFNEWBWBRW-MRXNPFEDSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCO[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769384287 1023137659 /nfs/dbraw/zinc/13/76/59/1023137659.db2.gz NETDYFNEWBWBRW-MRXNPFEDSA-N 0 3 307.434 3.572 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCCc3sccc3C2)c([O-])c1 ZINC000769382927 1023137878 /nfs/dbraw/zinc/13/78/78/1023137878.db2.gz YWMUBTSCHLKSTE-UHFFFAOYSA-N 0 3 303.427 3.801 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCCc3sccc3C2)c([O-])c1 ZINC000769382927 1023137881 /nfs/dbraw/zinc/13/78/81/1023137881.db2.gz YWMUBTSCHLKSTE-UHFFFAOYSA-N 0 3 303.427 3.801 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000769427001 1023146622 /nfs/dbraw/zinc/14/66/22/1023146622.db2.gz XJPSIVGZKQFYQO-OAHLLOKOSA-N 0 3 315.388 3.605 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000769427001 1023146624 /nfs/dbraw/zinc/14/66/24/1023146624.db2.gz XJPSIVGZKQFYQO-OAHLLOKOSA-N 0 3 315.388 3.605 20 10 DHCDHN CCOc1cccc(C[N@H+](C)[C@H]2CCc3ccccc3C2)c1[O-] ZINC000769428452 1023147404 /nfs/dbraw/zinc/14/74/04/1023147404.db2.gz RTVUPEKSVJVEJN-SFHVURJKSA-N 0 3 311.425 3.780 20 10 DHCDHN CCOc1cccc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)c1[O-] ZINC000769428452 1023147409 /nfs/dbraw/zinc/14/74/09/1023147409.db2.gz RTVUPEKSVJVEJN-SFHVURJKSA-N 0 3 311.425 3.780 20 10 DHCDHN CCC[N@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769471644 1023163755 /nfs/dbraw/zinc/16/37/55/1023163755.db2.gz WXBWJRMFSIDTEK-NXHRZFHOSA-N 0 3 303.446 3.726 20 10 DHCDHN CCC[N@@H+](Cc1cc(C)ccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769471644 1023163758 /nfs/dbraw/zinc/16/37/58/1023163758.db2.gz WXBWJRMFSIDTEK-NXHRZFHOSA-N 0 3 303.446 3.726 20 10 DHCDHN Cc1ccc(O)c(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769476199 1023164696 /nfs/dbraw/zinc/16/46/96/1023164696.db2.gz XGPFVDWQJAFVCE-JXFKEZNVSA-N 0 3 311.425 3.971 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769513562 1023171891 /nfs/dbraw/zinc/17/18/91/1023171891.db2.gz BQWFNCJLJWPRGI-MOPGFXCFSA-N 0 3 323.436 3.918 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769513562 1023171895 /nfs/dbraw/zinc/17/18/95/1023171895.db2.gz BQWFNCJLJWPRGI-MOPGFXCFSA-N 0 3 323.436 3.918 20 10 DHCDHN COc1ccsc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000769968155 1023247394 /nfs/dbraw/zinc/24/73/94/1023247394.db2.gz MVMBENPPCWKDJG-CYBMUJFWSA-N 0 3 304.459 3.982 20 10 DHCDHN CN(C)c1ccc(CN(C)CCOCc2ccccc2)cc1F ZINC000770305063 1023295192 /nfs/dbraw/zinc/29/51/92/1023295192.db2.gz IAFYECXREVOCAW-UHFFFAOYSA-N 0 3 316.420 3.540 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000771933502 1023490025 /nfs/dbraw/zinc/49/00/25/1023490025.db2.gz KLFMUWLCVYBGRW-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000771933502 1023490026 /nfs/dbraw/zinc/49/00/26/1023490026.db2.gz KLFMUWLCVYBGRW-KRWDZBQOSA-N 0 3 313.397 3.747 20 10 DHCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000876804187 1033147161 /nfs/dbraw/zinc/14/71/61/1033147161.db2.gz NJHKSAXROSNMEX-DOTOQJQBSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000876804187 1033147171 /nfs/dbraw/zinc/14/71/71/1033147171.db2.gz NJHKSAXROSNMEX-DOTOQJQBSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1[O-])N(C)C ZINC000785989652 1023648639 /nfs/dbraw/zinc/64/86/39/1023648639.db2.gz WTTBIXSDUYDOLG-AUUYWEPGSA-N 0 3 316.420 3.621 20 10 DHCDHN Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cc(F)ccc1[O-])N(C)C ZINC000785989655 1023648736 /nfs/dbraw/zinc/64/87/36/1023648736.db2.gz WTTBIXSDUYDOLG-LIRRHRJNSA-N 0 3 316.420 3.621 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CC[C@H]1CCCO1)Cc1ccco1 ZINC000787261985 1023777647 /nfs/dbraw/zinc/77/76/47/1023777647.db2.gz YDNABYUSESVSDH-MRXNPFEDSA-N 0 3 301.386 3.557 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCCO1)Cc1ccco1 ZINC000787261985 1023777653 /nfs/dbraw/zinc/77/76/53/1023777653.db2.gz YDNABYUSESVSDH-MRXNPFEDSA-N 0 3 301.386 3.557 20 10 DHCDHN CC(C)N(C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788504154 1023896829 /nfs/dbraw/zinc/89/68/29/1023896829.db2.gz BKSUFHVXANCENJ-LBPRGKRZSA-N 0 3 318.383 3.792 20 10 DHCDHN Cc1nc2ccccc2n1CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876892162 1033176915 /nfs/dbraw/zinc/17/69/15/1033176915.db2.gz LNAXKGXGWYKMSV-UHFFFAOYSA-N 0 3 309.413 3.539 20 10 DHCDHN COc1cc(CN2CCC(CC(F)(F)F)CC2)c(O)cc1C ZINC000789531001 1024108380 /nfs/dbraw/zinc/10/83/80/1024108380.db2.gz QVFRYNSOVNXDJC-UHFFFAOYSA-N 0 3 317.351 3.874 20 10 DHCDHN Cc1ccc(O)c(CN2CCN(c3ccccc3F)C[C@H]2C)c1 ZINC000789589280 1024119957 /nfs/dbraw/zinc/11/99/57/1024119957.db2.gz KLYPXAUVTOHXLC-OAHLLOKOSA-N 0 3 314.404 3.550 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCc3c2cnn3C)cc1 ZINC000268844107 1024177547 /nfs/dbraw/zinc/17/75/47/1024177547.db2.gz VAAMNXXJLAZMBW-KBXCAEBGSA-N 0 3 312.461 3.604 20 10 DHCDHN CN(C)CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000790966514 1024408820 /nfs/dbraw/zinc/40/88/20/1024408820.db2.gz VHLBJXYHMMDRKA-CQSZACIVSA-N 0 3 316.848 3.641 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791475426 1024508587 /nfs/dbraw/zinc/50/85/87/1024508587.db2.gz OVDUKDOULMXKLD-HXUWFJFHSA-N 0 3 321.420 3.581 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791475426 1024508595 /nfs/dbraw/zinc/50/85/95/1024508595.db2.gz OVDUKDOULMXKLD-HXUWFJFHSA-N 0 3 321.420 3.581 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H]2CCCc3occc32)c([O-])c1 ZINC000101591830 1024516621 /nfs/dbraw/zinc/51/66/21/1024516621.db2.gz CEJCBWRGNIRFRZ-INIZCTEOSA-N 0 3 301.386 3.941 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(Cl)nc1 ZINC000760160449 1024679199 /nfs/dbraw/zinc/67/91/99/1024679199.db2.gz RVXODUIGFUCMRJ-ZDUSSCGKSA-N 0 3 303.837 3.960 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(C)c2)c([O-])c1 ZINC000897417331 1024789128 /nfs/dbraw/zinc/78/91/28/1024789128.db2.gz KEYYCRXKHRYQCZ-CQSZACIVSA-N 0 3 315.413 3.959 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000793230080 1024942761 /nfs/dbraw/zinc/94/27/61/1024942761.db2.gz DXPOFWQOCXJKTC-GXFFZTMASA-N 0 3 303.324 3.564 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000793230080 1024942838 /nfs/dbraw/zinc/94/28/38/1024942838.db2.gz DXPOFWQOCXJKTC-GXFFZTMASA-N 0 3 303.324 3.564 20 10 DHCDHN CCOc1c(Cl)cccc1CNCc1ccc(OC)cc1O ZINC000793387243 1025029720 /nfs/dbraw/zinc/02/97/20/1025029720.db2.gz AZJJVSBUDUNJKT-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387243 1025029732 /nfs/dbraw/zinc/02/97/32/1025029732.db2.gz AZJJVSBUDUNJKT-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN CCOc1ccc(O)c(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000729685910 1026030069 /nfs/dbraw/zinc/03/00/69/1026030069.db2.gz VLIVVTTYNTYMAI-UHFFFAOYSA-N 0 3 301.361 3.709 20 10 DHCDHN CC(C)CN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746300 1026033832 /nfs/dbraw/zinc/03/38/32/1026033832.db2.gz XUVROCXAAGXUQT-CYBMUJFWSA-N 0 3 310.869 3.817 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c([O-])c1 ZINC000290002526 1026275176 /nfs/dbraw/zinc/27/51/76/1026275176.db2.gz ZGTJZACMTGJANR-FZKQIMNGSA-N 0 3 317.454 3.901 20 10 DHCDHN CC(C)(C)c1cc([O-])c(CN2CCCC[C@H]2C[NH3+])cc1Cl ZINC001204933508 1026348569 /nfs/dbraw/zinc/34/85/69/1026348569.db2.gz VBERCOUCPUZPQK-ZDUSSCGKSA-N 0 3 310.869 3.656 20 10 DHCDHN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808688907 1026349336 /nfs/dbraw/zinc/34/93/36/1026349336.db2.gz WYZVDAPJCGRNAO-JTQLQIEISA-N 0 3 307.825 3.555 20 10 DHCDHN CCOc1ncccc1CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808675698 1026352928 /nfs/dbraw/zinc/35/29/28/1026352928.db2.gz PTNJVTIXWSUHQB-LBPRGKRZSA-N 0 3 320.820 3.999 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)c1[O-] ZINC000808672156 1026353587 /nfs/dbraw/zinc/35/35/87/1026353587.db2.gz FJYRLOXRLLNOJE-LRDDRELGSA-N 0 3 305.805 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)c1[O-] ZINC000808707007 1026358612 /nfs/dbraw/zinc/35/86/12/1026358612.db2.gz YQNIZRDWSAKZQA-LRDDRELGSA-N 0 3 311.853 3.946 20 10 DHCDHN Cc1cccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808717355 1026364627 /nfs/dbraw/zinc/36/46/27/1026364627.db2.gz CQXNUCNIAMBAMH-CYBMUJFWSA-N 0 3 304.821 3.951 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1[O-] ZINC000808702487 1026375436 /nfs/dbraw/zinc/37/54/36/1026375436.db2.gz XOCALRACENXIMB-OBJOEFQTSA-N 0 3 308.853 3.630 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(C)cc1[O-] ZINC000279997912 1026570915 /nfs/dbraw/zinc/57/09/15/1026570915.db2.gz FRSMGNXRPXWDOA-WMLDXEAASA-N 0 3 301.434 3.583 20 10 DHCDHN CC[C@@H](CSC)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809766978 1026606375 /nfs/dbraw/zinc/60/63/75/1026606375.db2.gz CTFBHLKHHQHSHH-LBPRGKRZSA-N 0 3 303.855 3.628 20 10 DHCDHN CC[C@@H](CSC)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809766978 1026606380 /nfs/dbraw/zinc/60/63/80/1026606380.db2.gz CTFBHLKHHQHSHH-LBPRGKRZSA-N 0 3 303.855 3.628 20 10 DHCDHN C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765520 1026619751 /nfs/dbraw/zinc/61/97/51/1026619751.db2.gz NSEGANLEUGTAJA-OXJNMPFZSA-N 0 3 324.468 3.831 20 10 DHCDHN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765520 1026619754 /nfs/dbraw/zinc/61/97/54/1026619754.db2.gz NSEGANLEUGTAJA-OXJNMPFZSA-N 0 3 324.468 3.831 20 10 DHCDHN CCN(Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1cccnc1 ZINC000809765318 1026620477 /nfs/dbraw/zinc/62/04/77/1026620477.db2.gz MQIYIUUUNVYKIR-AWEZNQCLSA-N 0 3 301.409 3.870 20 10 DHCDHN Cc1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000809935904 1026641416 /nfs/dbraw/zinc/64/14/16/1026641416.db2.gz ODGUJNBCWIIATF-UHFFFAOYSA-N 0 3 301.434 3.768 20 10 DHCDHN CO[C@@](C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000812772425 1027397330 /nfs/dbraw/zinc/39/73/30/1027397330.db2.gz DPODVAARKSIIGS-FQEVSTJZSA-N 0 3 311.425 3.964 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCCCC3)nc1)CC2 ZINC000295917592 1027491349 /nfs/dbraw/zinc/49/13/49/1027491349.db2.gz JPLRRMZKJHTJPV-QGZVFWFLSA-N 0 3 323.440 3.555 20 10 DHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000296196114 1027569547 /nfs/dbraw/zinc/56/95/47/1027569547.db2.gz YSRPVMMNPGGLEH-OAHLLOKOSA-N 0 3 316.470 3.744 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c([O-])c1 ZINC000296576513 1027674563 /nfs/dbraw/zinc/67/45/63/1027674563.db2.gz TZQFKQLATOOAGS-ZSZQSSIHSA-N 0 3 312.413 3.667 20 10 DHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1[O-] ZINC000778989311 1027723988 /nfs/dbraw/zinc/72/39/88/1027723988.db2.gz UWDQCIDJMDHPGH-UHFFFAOYSA-N 0 3 302.393 3.619 20 10 DHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1[O-] ZINC000778989311 1027724008 /nfs/dbraw/zinc/72/40/08/1027724008.db2.gz UWDQCIDJMDHPGH-UHFFFAOYSA-N 0 3 302.393 3.619 20 10 DHCDHN Cc1ccc(OC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000778996955 1027740781 /nfs/dbraw/zinc/74/07/81/1027740781.db2.gz XKTGXCCHBMYBRC-UHFFFAOYSA-N 0 3 315.388 3.883 20 10 DHCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])CN(C)C ZINC000813877311 1027748408 /nfs/dbraw/zinc/74/84/08/1027748408.db2.gz RNHBWUDSOFSEFW-UWVGGRQHSA-N 0 3 305.249 3.547 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000779002753 1027750723 /nfs/dbraw/zinc/75/07/23/1027750723.db2.gz NUQBYWDSJGHHKI-MJGOQNOKSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000779002753 1027750733 /nfs/dbraw/zinc/75/07/33/1027750733.db2.gz NUQBYWDSJGHHKI-MJGOQNOKSA-N 0 3 315.388 3.619 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000779001453 1027751974 /nfs/dbraw/zinc/75/19/74/1027751974.db2.gz DZVRXESVPUHIBI-UYAOXDASSA-N 0 3 311.425 3.992 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000779001453 1027751987 /nfs/dbraw/zinc/75/19/87/1027751987.db2.gz DZVRXESVPUHIBI-UYAOXDASSA-N 0 3 311.425 3.992 20 10 DHCDHN CCc1nc([C@@H]2CCC[N@@H+]([C@@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624508 1027858908 /nfs/dbraw/zinc/85/89/08/1027858908.db2.gz SYFKONWGEGQECP-HIFRSBDPSA-N 0 3 315.417 3.668 20 10 DHCDHN CCc1nc([C@@H]2CCC[N@H+]([C@@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624508 1027858925 /nfs/dbraw/zinc/85/89/25/1027858925.db2.gz SYFKONWGEGQECP-HIFRSBDPSA-N 0 3 315.417 3.668 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1[O-] ZINC000528007322 1028035823 /nfs/dbraw/zinc/03/58/23/1028035823.db2.gz ZCSSLJZMFDYFAQ-ROUUACIJSA-N 0 3 324.424 3.568 20 10 DHCDHN CC[C@H]1c2ccsc2CCN1Cc1cc2c(cc1O)OCO2 ZINC000008186368 1028051656 /nfs/dbraw/zinc/05/16/56/1028051656.db2.gz MDVFXMFDOASGIT-ZDUSSCGKSA-N 0 3 317.410 3.692 20 10 DHCDHN Cc1nc2c(s1)CCC[C@H]2C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000366496676 1028088153 /nfs/dbraw/zinc/08/81/53/1028088153.db2.gz YJPZUEMBVCZQNE-AAEUAGOBSA-N 0 3 302.443 3.928 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000367574736 1028207700 /nfs/dbraw/zinc/20/77/00/1028207700.db2.gz IVSJGZZWEMSXLH-FHGNATFXSA-N 0 3 317.360 3.713 20 10 DHCDHN CCc1noc(C)c1CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368035083 1028282604 /nfs/dbraw/zinc/28/26/04/1028282604.db2.gz LUJZGLSISYIOIZ-UHFFFAOYSA-N 0 3 311.429 3.511 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000815142156 1028398331 /nfs/dbraw/zinc/39/83/31/1028398331.db2.gz OFKZVJYLURTGGX-UHFFFAOYSA-N 0 3 307.340 3.802 20 10 DHCDHN COc1cccc(O)c1CNCc1ccc(C(C)(F)F)cc1 ZINC000815142156 1028398333 /nfs/dbraw/zinc/39/83/33/1028398333.db2.gz OFKZVJYLURTGGX-UHFFFAOYSA-N 0 3 307.340 3.802 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1c(F)cccc1F ZINC000075829126 1028539100 /nfs/dbraw/zinc/53/91/00/1028539100.db2.gz RHMXYRIZYKKHAB-QGZVFWFLSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1c(F)cccc1F ZINC000075829126 1028539102 /nfs/dbraw/zinc/53/91/02/1028539102.db2.gz RHMXYRIZYKKHAB-QGZVFWFLSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815578921 1028551753 /nfs/dbraw/zinc/55/17/53/1028551753.db2.gz ABFVUTAZPPZOPM-PKOBYXMFSA-N 0 3 313.441 3.817 20 10 DHCDHN CC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577463 1028552004 /nfs/dbraw/zinc/55/20/04/1028552004.db2.gz QVMNSCKOXNGSRG-AZUAARDMSA-N 0 3 313.441 3.817 20 10 DHCDHN CC(C)[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815580576 1028554221 /nfs/dbraw/zinc/55/42/21/1028554221.db2.gz MRMGHWZHVNZWDG-UYAOXDASSA-N 0 3 313.441 3.673 20 10 DHCDHN CC[C@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815589412 1028559116 /nfs/dbraw/zinc/55/91/16/1028559116.db2.gz RLDYFLLTSICANP-PKOBYXMFSA-N 0 3 313.441 3.817 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCn1cccn1 ZINC000815591141 1028560092 /nfs/dbraw/zinc/56/00/92/1028560092.db2.gz YJOQBVRQTHAGFU-IBGZPJMESA-N 0 3 321.424 3.552 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000815616899 1028572968 /nfs/dbraw/zinc/57/29/68/1028572968.db2.gz AWDYSUXBRUZBAM-JVPBZIDWSA-N 0 3 303.446 3.865 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648077 1028591435 /nfs/dbraw/zinc/59/14/35/1028591435.db2.gz DCEHXJZEGNQZCS-WBVHZDCISA-N 0 3 305.462 3.848 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000815648524 1028591587 /nfs/dbraw/zinc/59/15/87/1028591587.db2.gz PLNXUDDVRPFVCK-XNRPHZJLSA-N 0 3 321.436 3.858 20 10 DHCDHN Cc1ccc(O)c(CN2CCC(C(=O)c3cccs3)CC2)c1 ZINC000371421377 1028709497 /nfs/dbraw/zinc/70/94/97/1028709497.db2.gz RVFDWPKMYIDRSS-UHFFFAOYSA-N 0 3 315.438 3.857 20 10 DHCDHN OCC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000077468310 1028889702 /nfs/dbraw/zinc/88/97/02/1028889702.db2.gz VTNCJUHUAXTHRF-OAQYLSRUSA-N 0 3 324.468 3.890 20 10 DHCDHN C[C@@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000372927004 1028924915 /nfs/dbraw/zinc/92/49/15/1028924915.db2.gz KHZKTXAZLZXQEW-KBPBESRZSA-N 0 3 323.396 3.724 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817413886 1029151995 /nfs/dbraw/zinc/15/19/95/1029151995.db2.gz CIJNRCAIVUMORG-UHFFFAOYSA-N 0 3 311.425 3.844 20 10 DHCDHN CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000817952276 1029294994 /nfs/dbraw/zinc/29/49/94/1029294994.db2.gz DGVBHLFYZITFNF-QZTJIDSGSA-N 0 3 310.441 3.793 20 10 DHCDHN COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1F ZINC000320829302 1029427908 /nfs/dbraw/zinc/42/79/08/1029427908.db2.gz FXGPLWVRCXEHAC-IAQYHMDHSA-N 0 3 301.361 3.878 20 10 DHCDHN COC[C@H](NCc1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000290187394 1029938896 /nfs/dbraw/zinc/93/88/96/1029938896.db2.gz OHSHIMTUQMIFBP-HNNXBMFYSA-N 0 3 309.768 3.662 20 10 DHCDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(Cl)c1 ZINC000290187394 1029938909 /nfs/dbraw/zinc/93/89/09/1029938909.db2.gz OHSHIMTUQMIFBP-HNNXBMFYSA-N 0 3 309.768 3.662 20 10 DHCDHN CN1CCCc2cc(CN[C@@H]3CCCc4ncccc43)ccc21 ZINC000866248888 1030178297 /nfs/dbraw/zinc/17/82/97/1030178297.db2.gz UAYCDXVLKIZFTF-LJQANCHMSA-N 0 3 307.441 3.631 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc2[nH]c(=O)oc2c1 ZINC000866485257 1030322658 /nfs/dbraw/zinc/32/26/58/1030322658.db2.gz HSLVNMAOPMAACQ-HZMBPMFUSA-N 0 3 310.353 3.577 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1[O-] ZINC000866641047 1030418102 /nfs/dbraw/zinc/41/81/02/1030418102.db2.gz MUDKCLNSEUIGCJ-MRXNPFEDSA-N 0 3 312.413 3.613 20 10 DHCDHN COc1ccc(O)c(CN[C@H](C)c2cc(C)ccc2OC)c1 ZINC000121620209 1030447456 /nfs/dbraw/zinc/44/74/56/1030447456.db2.gz ZMDPKAKPRMOTGG-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1n1ccnc1 ZINC000121626386 1030448318 /nfs/dbraw/zinc/44/83/18/1030448318.db2.gz SLIMOMTWXNTFOL-BEFAXECRSA-N 0 3 321.424 3.825 20 10 DHCDHN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1n1ccnc1 ZINC000121626386 1030448320 /nfs/dbraw/zinc/44/83/20/1030448320.db2.gz SLIMOMTWXNTFOL-BEFAXECRSA-N 0 3 321.424 3.825 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000824469103 1030567346 /nfs/dbraw/zinc/56/73/46/1030567346.db2.gz WTARXCNHQRTNTH-INIZCTEOSA-N 0 3 307.315 3.977 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171057124 1030569951 /nfs/dbraw/zinc/56/99/51/1030569951.db2.gz UTSXLAUCBQWLBB-HNNXBMFYSA-N 0 3 313.828 3.961 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171057124 1030569958 /nfs/dbraw/zinc/56/99/58/1030569958.db2.gz UTSXLAUCBQWLBB-HNNXBMFYSA-N 0 3 313.828 3.961 20 10 DHCDHN CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856241 1030655064 /nfs/dbraw/zinc/65/50/64/1030655064.db2.gz UKZTVLQZXCAQCB-CJNGLKHVSA-N 0 3 310.869 3.516 20 10 DHCDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856241 1030655075 /nfs/dbraw/zinc/65/50/75/1030655075.db2.gz UKZTVLQZXCAQCB-CJNGLKHVSA-N 0 3 310.869 3.516 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1[O-] ZINC000824954472 1030679520 /nfs/dbraw/zinc/67/95/20/1030679520.db2.gz QLMSNDNWIZJVEH-VDZJLULYSA-N 0 3 312.413 3.748 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c([O-])c1 ZINC000825215076 1030750210 /nfs/dbraw/zinc/75/02/10/1030750210.db2.gz FYHGBPNBZHRSME-QGZVFWFLSA-N 0 3 307.459 3.510 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c([O-])c1 ZINC000825215076 1030750223 /nfs/dbraw/zinc/75/02/23/1030750223.db2.gz FYHGBPNBZHRSME-QGZVFWFLSA-N 0 3 307.459 3.510 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000926904982 1030978001 /nfs/dbraw/zinc/97/80/01/1030978001.db2.gz KNULWSYKBVCNCD-NURSFMCSSA-N 0 3 321.314 3.682 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000926906732 1030980656 /nfs/dbraw/zinc/98/06/56/1030980656.db2.gz YTRAPBCUSSERNX-ZOWXZIJZSA-N 0 3 317.351 3.851 20 10 DHCDHN COc1c(F)cc(CN(C)Cc2ccccc2O)cc1Cl ZINC001143848460 1031010699 /nfs/dbraw/zinc/01/06/99/1031010699.db2.gz ZFINUEXKBKNAEZ-UHFFFAOYSA-N 0 3 309.768 3.825 20 10 DHCDHN Cc1nc2c(cccc2CC[NH2+][C@H](C)c2cc(F)ccc2[O-])o1 ZINC000926976491 1031023921 /nfs/dbraw/zinc/02/39/21/1031023921.db2.gz VXZNKMHXCKBILL-LLVKDONJSA-N 0 3 314.360 3.874 20 10 DHCDHN CC(C)[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cnn(C)c1 ZINC000927067226 1031066025 /nfs/dbraw/zinc/06/60/25/1031066025.db2.gz DOIOOFUFJOUDNF-YRILPIOLSA-N 0 3 317.408 3.800 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCC3)c2c1c(F)ccc2[O-] ZINC000927090181 1031081875 /nfs/dbraw/zinc/08/18/75/1031081875.db2.gz JJCSLEJIUVHMLJ-NHYWBVRUSA-N 0 3 313.372 3.804 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844759860 1031319019 /nfs/dbraw/zinc/31/90/19/1031319019.db2.gz MTNSOTGGFKTYLF-QGZVFWFLSA-N 0 3 319.351 3.785 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844759860 1031319031 /nfs/dbraw/zinc/31/90/31/1031319031.db2.gz MTNSOTGGFKTYLF-QGZVFWFLSA-N 0 3 319.351 3.785 20 10 DHCDHN CCCOc1ccc(CNCc2ccc(N(C)C)nc2)cc1C ZINC000873013296 1031693993 /nfs/dbraw/zinc/69/39/93/1031693993.db2.gz ZLCSGPBKRBESHE-UHFFFAOYSA-N 0 3 313.445 3.535 20 10 DHCDHN C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cc(F)ccc1[O-] ZINC000873238402 1031769437 /nfs/dbraw/zinc/76/94/37/1031769437.db2.gz ZNSQXANGFRYNDM-CHWSQXEVSA-N 0 3 300.377 3.781 20 10 DHCDHN CCc1cccc(F)c1CN[C@H](C)c1cc(OC)ccc1O ZINC000845973277 1031788700 /nfs/dbraw/zinc/78/87/00/1031788700.db2.gz YEHOBTOIRHIDEX-GFCCVEGCSA-N 0 3 303.377 3.953 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1OC ZINC000845990972 1031794277 /nfs/dbraw/zinc/79/42/77/1031794277.db2.gz SJXXDHVNKPFROZ-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCSC(C)(C)C2)c1[O-] ZINC000897795988 1031840079 /nfs/dbraw/zinc/84/00/79/1031840079.db2.gz VLMACKQGWRSHRS-GFCCVEGCSA-N 0 3 315.866 3.818 20 10 DHCDHN CCOc1cc(C)ccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846150919 1031883780 /nfs/dbraw/zinc/88/37/80/1031883780.db2.gz TTYYIJUWXZVXIN-CQSZACIVSA-N 0 3 315.413 3.959 20 10 DHCDHN CCCCn1cc(CN[C@H](C)c2cccc(OC)c2O)c(C)n1 ZINC000846160739 1031891277 /nfs/dbraw/zinc/89/12/77/1031891277.db2.gz XYZSJOFXZUAHIU-CQSZACIVSA-N 0 3 317.433 3.557 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccccc2OC(F)F)c1O ZINC000846135789 1031901073 /nfs/dbraw/zinc/90/10/73/1031901073.db2.gz HFBWWPFTVUMLAB-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000136687805 1033311737 /nfs/dbraw/zinc/31/17/37/1033311737.db2.gz HYUZXUNRDGXNGR-INIZCTEOSA-N 0 3 319.445 3.762 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cc(C2CC2)no1 ZINC000877591540 1033372290 /nfs/dbraw/zinc/37/22/90/1033372290.db2.gz FHROGOTYGFNWKZ-CQSZACIVSA-N 0 3 313.445 3.647 20 10 DHCDHN Cc1ccc(CN[C@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000877644660 1033394001 /nfs/dbraw/zinc/39/40/01/1033394001.db2.gz ZBVUOZCIPXQCRC-KRWDZBQOSA-N 0 3 319.408 3.663 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000151039015 1033410734 /nfs/dbraw/zinc/41/07/34/1033410734.db2.gz KOFVMMLPNVHPJI-MRXNPFEDSA-N 0 3 324.472 3.599 20 10 DHCDHN C[C@H](NCc1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000151151950 1033419963 /nfs/dbraw/zinc/41/99/63/1033419963.db2.gz UQNUFGBEMGSOPN-INIZCTEOSA-N 0 3 312.461 3.651 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(-c2cnn(C)c2)c1 ZINC000877755860 1033431689 /nfs/dbraw/zinc/43/16/89/1033431689.db2.gz PDBWRXRZDOADLY-OAHLLOKOSA-N 0 3 321.424 3.952 20 10 DHCDHN CCc1noc(C2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)n1 ZINC000877756630 1033434424 /nfs/dbraw/zinc/43/44/24/1033434424.db2.gz ZYRPLKKDISDRFS-IYXRBSQSSA-N 0 3 315.417 3.715 20 10 DHCDHN C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757396 1033435689 /nfs/dbraw/zinc/43/56/89/1033435689.db2.gz XKOXVRNOQYCTLB-KBPBESRZSA-N 0 3 309.413 3.940 20 10 DHCDHN COc1cc(Cl)c(CN[C@@H](C)c2ccccc2O)cc1OC ZINC000877758403 1033438087 /nfs/dbraw/zinc/43/80/87/1033438087.db2.gz YIYZEIDQBNGCRZ-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN CCOc1ccc(O)c(CNC2(c3cccc(F)c3)CC2)c1 ZINC000152852380 1033548295 /nfs/dbraw/zinc/54/82/95/1033548295.db2.gz OJJUHZWJHWWSDF-UHFFFAOYSA-N 0 3 301.361 3.709 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000862394203 1033840327 /nfs/dbraw/zinc/84/03/27/1033840327.db2.gz DPEURNPGQVIUAX-CQSZACIVSA-N 0 3 313.445 3.647 20 10 DHCDHN CCOc1ccccc1OCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648379 1034071645 /nfs/dbraw/zinc/07/16/45/1034071645.db2.gz MBQBCYZJFCTQFX-CQSZACIVSA-N 0 3 301.386 3.521 20 10 DHCDHN Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651536 1034075827 /nfs/dbraw/zinc/07/58/27/1034075827.db2.gz ACOUVWDFZWHWDL-GJZGRUSLSA-N 0 3 312.413 3.687 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1[O-] ZINC000183451436 1034387480 /nfs/dbraw/zinc/38/74/80/1034387480.db2.gz QLSUPKGLXCKYPC-LSDHHAIUSA-N 0 3 324.424 3.931 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000183451421 1034387788 /nfs/dbraw/zinc/38/77/88/1034387788.db2.gz QLSUPKGLXCKYPC-CABCVRRESA-N 0 3 324.424 3.931 20 10 DHCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183535027 1034395835 /nfs/dbraw/zinc/39/58/35/1034395835.db2.gz RXVFLERGFJHAAO-KBPBESRZSA-N 0 3 301.386 3.519 20 10 DHCDHN COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183534868 1034396487 /nfs/dbraw/zinc/39/64/87/1034396487.db2.gz BVEUTFKGSPPDKY-UONOGXRCSA-N 0 3 301.386 3.519 20 10 DHCDHN COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183534357 1034396745 /nfs/dbraw/zinc/39/67/45/1034396745.db2.gz HPWDEDJPSAFJMP-KBPBESRZSA-N 0 3 301.386 3.519 20 10 DHCDHN COc1ccc(OC(F)F)c(CN[C@@H](C)c2ccccc2O)c1 ZINC000183554680 1034398879 /nfs/dbraw/zinc/39/88/79/1034398879.db2.gz LKGBOXPXAFFPPR-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183554680 1034398882 /nfs/dbraw/zinc/39/88/82/1034398882.db2.gz LKGBOXPXAFFPPR-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1[O-] ZINC000183604508 1034405430 /nfs/dbraw/zinc/40/54/30/1034405430.db2.gz FJPXQMFAUGYZIR-LBPRGKRZSA-N 0 3 302.443 3.621 20 10 DHCDHN CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(C)cc1[O-] ZINC000794798256 1034469617 /nfs/dbraw/zinc/46/96/17/1034469617.db2.gz UIIPJBSBXFAYFZ-QGZVFWFLSA-N 0 3 318.461 3.580 20 10 DHCDHN COc1cc(Cl)cc(CN(C)[C@H](C)c2cccc(O)c2)c1O ZINC000184691634 1034493222 /nfs/dbraw/zinc/49/32/22/1034493222.db2.gz LOUWZSAKHKQYAJ-LLVKDONJSA-N 0 3 321.804 3.953 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c([O-])c1 ZINC000184911367 1034512852 /nfs/dbraw/zinc/51/28/52/1034512852.db2.gz PVAHBOOQWACSKO-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794813024 1034519031 /nfs/dbraw/zinc/51/90/31/1034519031.db2.gz ARXYTCSGYVTNIO-ZYSHUDEJSA-N 0 3 313.441 3.733 20 10 DHCDHN CC[C@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccc(C)cc1[O-] ZINC000794812730 1034520721 /nfs/dbraw/zinc/52/07/21/1034520721.db2.gz FHUGWXIHZMRMQN-HKUYNNGSSA-N 0 3 313.441 3.653 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794817427 1034526924 /nfs/dbraw/zinc/52/69/24/1034526924.db2.gz NAYRLRQESZCHGJ-MAUKXSAKSA-N 0 3 317.429 3.982 20 10 DHCDHN Cc1csc(CCCC[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000185318997 1034540935 /nfs/dbraw/zinc/54/09/35/1034540935.db2.gz ZMXIBGRHVCBKLU-GFCCVEGCSA-N 0 3 308.422 3.970 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c([O-])c1 ZINC000185738414 1034569539 /nfs/dbraw/zinc/56/95/39/1034569539.db2.gz RBVUXWGGPDDXAR-NUJGCVRESA-N 0 3 313.441 3.906 20 10 DHCDHN C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185940907 1034585011 /nfs/dbraw/zinc/58/50/11/1034585011.db2.gz MACAZYFYSYQTDM-LBPRGKRZSA-N 0 3 310.869 3.959 20 10 DHCDHN COc1ccsc1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000186137784 1034601013 /nfs/dbraw/zinc/60/10/13/1034601013.db2.gz VYZKVOMMEPMOEM-CYBMUJFWSA-N 0 3 316.470 3.990 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCCNc3ccccc32)cc1F ZINC000192780239 1034818166 /nfs/dbraw/zinc/81/81/66/1034818166.db2.gz XGWSIGNQFZTJJY-GOSISDBHSA-N 0 3 313.420 3.928 20 10 DHCDHN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccnn1C ZINC000192846837 1034822632 /nfs/dbraw/zinc/82/26/32/1034822632.db2.gz BUUKFCLCRARCQC-INIZCTEOSA-N 0 3 312.461 3.507 20 10 DHCDHN O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000193420752 1034844067 /nfs/dbraw/zinc/84/40/67/1034844067.db2.gz PSEQOHDXSNKQRC-UHFFFAOYSA-N 0 3 313.372 3.626 20 10 DHCDHN CCNc1ccccc1CNCc1ccc2c(c1)CCCN2C ZINC001177528825 1035377147 /nfs/dbraw/zinc/37/71/47/1035377147.db2.gz JRUNMBXQZQKAER-UHFFFAOYSA-N 0 3 309.457 3.791 20 10 DHCDHN Cc1ccc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC001180149090 1035610479 /nfs/dbraw/zinc/61/04/79/1035610479.db2.gz UOAQEJJUAQKDJT-OXJNMPFZSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1cc(Cl)cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c1[O-] ZINC000775665760 1036289745 /nfs/dbraw/zinc/28/97/45/1036289745.db2.gz YAMFKVKWHVTXJU-UHFFFAOYSA-N 0 3 310.869 3.660 20 10 DHCDHN Cc1cc(Cl)cc(CN2CCC[N@H+](C(C)(C)C)CC2)c1[O-] ZINC000775665760 1036289755 /nfs/dbraw/zinc/28/97/55/1036289755.db2.gz YAMFKVKWHVTXJU-UHFFFAOYSA-N 0 3 310.869 3.660 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)c2c1c(F)ccc2[O-] ZINC000774380180 1036307863 /nfs/dbraw/zinc/30/78/63/1036307863.db2.gz RKRJSRSJQHPBNV-IVMMDQJWSA-N 0 3 318.436 3.686 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000775703384 1036482715 /nfs/dbraw/zinc/48/27/15/1036482715.db2.gz QCBHCFBMUPVOOL-UHFFFAOYSA-N 0 3 309.837 3.747 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000775703384 1036482725 /nfs/dbraw/zinc/48/27/25/1036482725.db2.gz QCBHCFBMUPVOOL-UHFFFAOYSA-N 0 3 309.837 3.747 20 10 DHCDHN COc1cccc([C@@H]2CSCCN2Cc2ccccc2O)c1 ZINC001203561119 1036549368 /nfs/dbraw/zinc/54/93/68/1036549368.db2.gz LSRJESSQWUQXAB-KRWDZBQOSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cc(C)c(C[NH2+]CC2(SC)CCCCC2)c([O-])c1 ZINC001183842592 1036681043 /nfs/dbraw/zinc/68/10/43/1036681043.db2.gz COYLGAHVUWUILW-UHFFFAOYSA-N 0 3 309.475 3.865 20 10 DHCDHN CCC(=O)Nc1cccc(CNCc2ccc(OC)c(C)c2)c1 ZINC001199354372 1037243973 /nfs/dbraw/zinc/24/39/73/1037243973.db2.gz QPWSQOXSZYMPGB-UHFFFAOYSA-N 0 3 312.413 3.642 20 10 DHCDHN CCOc1ccc(O)c(CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000776014294 1037299866 /nfs/dbraw/zinc/29/98/66/1037299866.db2.gz RCGGPNFJCHKYCQ-UHFFFAOYSA-N 0 3 309.409 3.838 20 10 DHCDHN COc1ccccc1-c1cc(CN[C@@H](C)c2ccccc2O)on1 ZINC000775130446 1037657711 /nfs/dbraw/zinc/65/77/11/1037657711.db2.gz KWCFCBXRXASQHI-ZDUSSCGKSA-N 0 3 324.380 3.907 20 10 DHCDHN C[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775131955 1037675265 /nfs/dbraw/zinc/67/52/65/1037675265.db2.gz ZYQLYHWIAMANGX-NSHDSACASA-N 0 3 301.777 3.544 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1[O-] ZINC000776174247 1037679598 /nfs/dbraw/zinc/67/95/98/1037679598.db2.gz GEIWIERICOMVKB-GFCCVEGCSA-N 0 3 305.805 3.780 20 10 DHCDHN CN(C)c1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1F ZINC000775134725 1037681049 /nfs/dbraw/zinc/68/10/49/1037681049.db2.gz DSIRYHLRYITJOI-LBPRGKRZSA-N 0 3 304.331 3.666 20 10 DHCDHN Cc1ccc(O)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000154269086 1038185305 /nfs/dbraw/zinc/18/53/05/1038185305.db2.gz LJHZUDOTSAGKLI-UHFFFAOYSA-N 0 3 312.369 3.773 20 10 DHCDHN CC[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccccc1O ZINC000775414184 1038386383 /nfs/dbraw/zinc/38/63/83/1038386383.db2.gz DURUIRVOVHGRJU-OAHLLOKOSA-N 0 3 315.804 3.934 20 10 DHCDHN CC[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000775492167 1038561778 /nfs/dbraw/zinc/56/17/78/1038561778.db2.gz MRDQFQMLGUOKKI-RDJZCZTQSA-N 0 3 304.478 3.943 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccccc1[O-] ZINC000775497835 1038581628 /nfs/dbraw/zinc/58/16/28/1038581628.db2.gz WEFSNGNGFIPKTO-QGZVFWFLSA-N 0 3 315.413 3.693 20 10 DHCDHN CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccccc1[O-] ZINC000775498088 1038581643 /nfs/dbraw/zinc/58/16/43/1038581643.db2.gz HBXBDXLEPMPPLJ-INIZCTEOSA-N 0 3 300.402 3.654 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1ccccc1[O-] ZINC000775552016 1038709969 /nfs/dbraw/zinc/70/99/69/1038709969.db2.gz RGQDYKSHHPFEQJ-WMLDXEAASA-N 0 3 303.402 3.674 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1F ZINC000170779206 1038960308 /nfs/dbraw/zinc/96/03/08/1038960308.db2.gz LYXHURNAOOBCTL-SFHVURJKSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1F ZINC000170779206 1038960328 /nfs/dbraw/zinc/96/03/28/1038960328.db2.gz LYXHURNAOOBCTL-SFHVURJKSA-N 0 3 321.367 3.616 20 10 DHCDHN COc1cc(Cl)cc(CN(Cc2ccccn2)C(C)C)c1O ZINC000761192502 1040554650 /nfs/dbraw/zinc/55/46/50/1040554650.db2.gz OYTSMQSUXHMJDL-UHFFFAOYSA-N 0 3 320.820 3.860 20 10 DHCDHN CC[N@H+](CCc1ccccn1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761196236 1040570626 /nfs/dbraw/zinc/57/06/26/1040570626.db2.gz ZQCAAARWQYXYGX-UHFFFAOYSA-N 0 3 320.820 3.514 20 10 DHCDHN CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761196236 1040570629 /nfs/dbraw/zinc/57/06/29/1040570629.db2.gz ZQCAAARWQYXYGX-UHFFFAOYSA-N 0 3 320.820 3.514 20 10 DHCDHN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000761216820 1040684280 /nfs/dbraw/zinc/68/42/80/1040684280.db2.gz YDAJAFUSWSXSNP-DIFFPNOSSA-N 0 3 307.340 3.536 20 10 DHCDHN c1cn(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000092648402 185331500 /nfs/dbraw/zinc/33/15/00/185331500.db2.gz NWTMEXYVAYVHFA-UHFFFAOYSA-N 0 3 324.472 3.711 20 10 DHCDHN CCOc1ccc(O)c(CN(C)[C@@H](C)c2cccc(O)c2)c1 ZINC000093316098 193229794 /nfs/dbraw/zinc/22/97/94/193229794.db2.gz UTHDLDJVHMBEJH-ZDUSSCGKSA-N 0 3 301.386 3.690 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c([O-])c1 ZINC000019233401 182110753 /nfs/dbraw/zinc/11/07/53/182110753.db2.gz REJNGCUASUNVPM-DZGCQCFKSA-N 0 3 304.459 3.716 20 10 DHCDHN CCC[N@H+](CCCCCn1cccn1)Cc1ccccc1[O-] ZINC000104682374 194026944 /nfs/dbraw/zinc/02/69/44/194026944.db2.gz UENRYOIKYZSUPI-UHFFFAOYSA-N 0 3 301.434 3.671 20 10 DHCDHN CCC[N@@H+](CCCCCn1cccn1)Cc1ccccc1[O-] ZINC000104682374 194026947 /nfs/dbraw/zinc/02/69/47/194026947.db2.gz UENRYOIKYZSUPI-UHFFFAOYSA-N 0 3 301.434 3.671 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)c([O-])c1 ZINC000105486495 194105769 /nfs/dbraw/zinc/10/57/69/194105769.db2.gz GFKCSCRCELNKMB-KRWDZBQOSA-N 0 3 313.397 3.664 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1[O-] ZINC000272859724 130070012 /nfs/dbraw/zinc/07/00/12/130070012.db2.gz MKEMBTNUNALLJM-QRQYBIJMSA-N 0 3 303.427 3.541 20 10 DHCDHN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272901953 130072813 /nfs/dbraw/zinc/07/28/13/130072813.db2.gz VFGJIHYKSSIUAF-LXIYXOSZSA-N 0 3 303.377 3.958 20 10 DHCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000272905130 130073518 /nfs/dbraw/zinc/07/35/18/130073518.db2.gz VUUPGWRLLYIAIU-CKFHNAJUSA-N 0 3 315.413 3.828 20 10 DHCDHN C[C@@H](CN(C)Cc1ccc(N(C)C)c(F)c1)c1nccs1 ZINC000273191795 130096009 /nfs/dbraw/zinc/09/60/09/130096009.db2.gz PWAYZVONWIQWRW-LBPRGKRZSA-N 0 3 307.438 3.584 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1C ZINC000273345784 130109044 /nfs/dbraw/zinc/10/90/44/130109044.db2.gz AQZXLYQFBYIQNJ-DAYGRLMNSA-N 0 3 321.486 3.714 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c([O-])c1C ZINC000273401821 130117387 /nfs/dbraw/zinc/11/73/87/130117387.db2.gz NGZWXYITTULHFV-OAHLLOKOSA-N 0 3 309.413 3.550 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c([O-])c1C ZINC000273565264 130136575 /nfs/dbraw/zinc/13/65/75/130136575.db2.gz JGCZEQFMLCOQLV-DYVFJYSZSA-N 0 3 305.443 3.629 20 10 DHCDHN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000273571711 130139194 /nfs/dbraw/zinc/13/91/94/130139194.db2.gz KXFZKWQWBWPQKQ-LBPRGKRZSA-N 0 3 308.853 3.713 20 10 DHCDHN Cc1ccc2nc(CN[C@H](C)c3ccc(C)c(C)c3O)cn2c1 ZINC000273590426 130141947 /nfs/dbraw/zinc/14/19/47/130141947.db2.gz OZNIWALYOWYGNB-OAHLLOKOSA-N 0 3 309.413 3.816 20 10 DHCDHN Cc1nc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])sc1C ZINC000273611462 130144307 /nfs/dbraw/zinc/14/43/07/130144307.db2.gz WDGJONUBQDLCJF-CYBMUJFWSA-N 0 3 304.459 3.976 20 10 DHCDHN CCSc1cc(CNCc2ccc(OC)c(C)c2)ccn1 ZINC000275059054 130287472 /nfs/dbraw/zinc/28/74/72/130287472.db2.gz OTJYZBKJLXBQSK-UHFFFAOYSA-N 0 3 302.443 3.800 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c([O-])c1 ZINC000284284711 131066902 /nfs/dbraw/zinc/06/69/02/131066902.db2.gz HSWDBYJRDYOXCC-LLVKDONJSA-N 0 3 308.328 3.548 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000284343496 131072673 /nfs/dbraw/zinc/07/26/73/131072673.db2.gz MXCZKMIRLHEBDM-MRXNPFEDSA-N 0 3 312.461 3.570 20 10 DHCDHN COc1cccc(CNCc2ccc(CSC)cc2)c1O ZINC000285602700 131185151 /nfs/dbraw/zinc/18/51/51/131185151.db2.gz WTRJRLKEGHZIIM-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1cccc(C[NH2+]Cc2ccc(CSC)cc2)c1[O-] ZINC000285602700 131185152 /nfs/dbraw/zinc/18/51/52/131185152.db2.gz WTRJRLKEGHZIIM-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286136927 131221329 /nfs/dbraw/zinc/22/13/29/131221329.db2.gz OUIMVYOLLVCSRO-RHSMWYFYSA-N 0 3 308.441 3.692 20 10 DHCDHN C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000286870093 131253757 /nfs/dbraw/zinc/25/37/57/131253757.db2.gz BRZBVGAOPADQJK-MLGOLLRUSA-N 0 3 305.805 3.820 20 10 DHCDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000289743013 131411978 /nfs/dbraw/zinc/41/19/78/131411978.db2.gz KRBJCHDUIOWOSB-WSTZPKSXSA-N 0 3 311.425 3.599 20 10 DHCDHN COc1cccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000295029776 335129734 /nfs/dbraw/zinc/12/97/34/335129734.db2.gz NTSZSHSICZKLEK-PWSUYJOCSA-N 0 3 303.324 3.564 20 10 DHCDHN C[C@@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000296562202 335146600 /nfs/dbraw/zinc/14/66/00/335146600.db2.gz ULSZEMPBOYCENW-CRAIPNDOSA-N 0 3 317.816 3.530 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)CC2 ZINC000297404147 334241305 /nfs/dbraw/zinc/24/13/05/334241305.db2.gz SSCLZXPJRMWTEG-CQSZACIVSA-N 0 3 322.330 3.626 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000375450754 337011321 /nfs/dbraw/zinc/01/13/21/337011321.db2.gz DEHSVIHZBGBWNE-GOEBONIOSA-N 0 3 313.445 3.686 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1 ZINC000375531015 337012947 /nfs/dbraw/zinc/01/29/47/337012947.db2.gz YQSVPCQJJPXCPG-LMMKCTJWSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1 ZINC000375531015 337012948 /nfs/dbraw/zinc/01/29/48/337012948.db2.gz YQSVPCQJJPXCPG-LMMKCTJWSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1c([C@H](C)NCc2ccc3c(c2)CCN3C)cnn1C(C)C ZINC000376958141 337044291 /nfs/dbraw/zinc/04/42/91/337044291.db2.gz NVDRHNHJQYVMRV-AWEZNQCLSA-N 0 3 312.461 3.616 20 10 DHCDHN CCN(CC)c1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000377230393 337048915 /nfs/dbraw/zinc/04/89/15/337048915.db2.gz AWCJLNKASIHVNC-UHFFFAOYSA-N 0 3 312.461 3.636 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835785 337062109 /nfs/dbraw/zinc/06/21/09/337062109.db2.gz WLVGGUYVJYCQJA-XHSDSOJGSA-N 0 3 319.445 3.600 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835785 337062110 /nfs/dbraw/zinc/06/21/10/337062110.db2.gz WLVGGUYVJYCQJA-XHSDSOJGSA-N 0 3 319.445 3.600 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccccc1[O-] ZINC000183559718 337192316 /nfs/dbraw/zinc/19/23/16/337192316.db2.gz BOFTZZAABMILBJ-HUUCEWRRSA-N 0 3 307.397 3.990 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000183631820 337193959 /nfs/dbraw/zinc/19/39/59/337193959.db2.gz RSJKWIRHRJGSLV-UONOGXRCSA-N 0 3 323.396 3.897 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1COc2ccccc21 ZINC000186176409 337254157 /nfs/dbraw/zinc/25/41/57/337254157.db2.gz BMQRSHYFOAQEBT-OZVIIMIRSA-N 0 3 301.361 3.747 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000359997749 337441591 /nfs/dbraw/zinc/44/15/91/337441591.db2.gz KLSFBBANPNHQOA-CQSZACIVSA-N 0 3 314.404 3.851 20 10 DHCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])OC)c1 ZINC000527923892 337775422 /nfs/dbraw/zinc/77/54/22/337775422.db2.gz FDKQIPSPAQXUED-IFXJQAMLSA-N 0 3 315.413 3.748 20 10 DHCDHN COc1ccc(OC)c([C@H](C)NCc2cc(C)ccc2O)c1 ZINC000237273787 340669712 /nfs/dbraw/zinc/66/97/12/340669712.db2.gz GOZGZSAUWWVYTI-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN COCCC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2[O-])CC1 ZINC000530095350 340779166 /nfs/dbraw/zinc/77/91/66/340779166.db2.gz GTHNWQIPJJAFQU-UHFFFAOYSA-N 0 3 321.461 3.644 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CC2 ZINC000295853379 341715418 /nfs/dbraw/zinc/71/54/18/341715418.db2.gz GDIQIPRQKNATBF-IBGZPJMESA-N 0 3 322.452 3.634 20 10 DHCDHN CCN(Cc1cccc(OC)c1O)[C@@H]1CCCc2cccnc21 ZINC000364998501 521353379 /nfs/dbraw/zinc/35/33/79/521353379.db2.gz FVRDDBDVJGXKQN-MRXNPFEDSA-N 0 3 312.413 3.695 20 10 DHCDHN CCOc1ccccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000182341352 521505024 /nfs/dbraw/zinc/50/50/24/521505024.db2.gz AYLXFPJWAWRZOZ-ZDUSSCGKSA-N 0 3 301.386 3.650 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000155864743 522705971 /nfs/dbraw/zinc/70/59/71/522705971.db2.gz RMIZYWDCSMQJAV-QAPCUYQASA-N 0 3 324.424 3.518 20 10 DHCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180695778 524393464 /nfs/dbraw/zinc/39/34/64/524393464.db2.gz SDUUSYYHSNGAAM-CVEARBPZSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180695778 524393475 /nfs/dbraw/zinc/39/34/75/524393475.db2.gz SDUUSYYHSNGAAM-CVEARBPZSA-N 0 3 317.454 3.850 20 10 DHCDHN C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])Cc1ccccc1 ZINC000188914681 525864097 /nfs/dbraw/zinc/86/40/97/525864097.db2.gz CBZPGFPFLCVYDZ-YRNRMSPPSA-N 0 3 313.441 3.673 20 10 DHCDHN COc1cccc(C[NH+]2CCC(c3ccsc3)CC2)c1[O-] ZINC000188692469 525934304 /nfs/dbraw/zinc/93/43/04/525934304.db2.gz RHNVXVDUDFLTRL-UHFFFAOYSA-N 0 3 303.427 3.842 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000180204330 526349788 /nfs/dbraw/zinc/34/97/88/526349788.db2.gz MZCJELAOVYPMKF-MRXNPFEDSA-N 0 3 315.388 3.570 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000180204330 526349794 /nfs/dbraw/zinc/34/97/94/526349794.db2.gz MZCJELAOVYPMKF-MRXNPFEDSA-N 0 3 315.388 3.570 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180257765 526350231 /nfs/dbraw/zinc/35/02/31/526350231.db2.gz SAVNRMAIKCAMNX-ZBFHGGJFSA-N 0 3 321.417 3.681 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180257765 526350235 /nfs/dbraw/zinc/35/02/35/526350235.db2.gz SAVNRMAIKCAMNX-ZBFHGGJFSA-N 0 3 321.417 3.681 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266070161 526355139 /nfs/dbraw/zinc/35/51/39/526355139.db2.gz IHYDRUOUBBBMOB-UHFFFAOYSA-N 0 3 311.425 3.938 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000266070161 526355144 /nfs/dbraw/zinc/35/51/44/526355144.db2.gz IHYDRUOUBBBMOB-UHFFFAOYSA-N 0 3 311.425 3.938 20 10 DHCDHN CC[C@H](NCc1cc(C)cc(OC)c1O)c1c(C)noc1C ZINC000894362886 1013117968 /nfs/dbraw/zinc/11/79/68/1013117968.db2.gz YREQGAILWVYVKU-AWEZNQCLSA-N 0 3 304.390 3.555 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000155100307 1013207415 /nfs/dbraw/zinc/20/74/15/1013207415.db2.gz BOMQBHZMYOMHNH-LPHOPBHVSA-N 0 3 310.441 3.959 20 10 DHCDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1cc2ccccc2o1 ZINC000189088356 1013907176 /nfs/dbraw/zinc/90/71/76/1013907176.db2.gz DKARAZAATFBYCZ-NSHDSACASA-N 0 3 311.337 3.718 20 10 DHCDHN CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@H]1O ZINC000276041772 1014587401 /nfs/dbraw/zinc/58/74/01/1014587401.db2.gz SSTNCQRYUSFSBV-LJQANCHMSA-N 0 3 311.425 3.652 20 10 DHCDHN CC1(C)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@H]1O ZINC000276041772 1014587409 /nfs/dbraw/zinc/58/74/09/1014587409.db2.gz SSTNCQRYUSFSBV-LJQANCHMSA-N 0 3 311.425 3.652 20 10 DHCDHN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783504622 1014690359 /nfs/dbraw/zinc/69/03/59/1014690359.db2.gz HRXSXRXBTOZDQN-ZIAGYGMSSA-N 0 3 313.397 3.793 20 10 DHCDHN COc1ccc(CN(C)Cc2cccc(Cl)c2)c(O)c1OC ZINC000891479386 1015317594 /nfs/dbraw/zinc/31/75/94/1015317594.db2.gz BGTWFZKTEHFOEB-UHFFFAOYSA-N 0 3 321.804 3.695 20 10 DHCDHN CC[C@@H](NCc1cc(OC)ccc1O)c1cc(F)ccc1OC ZINC000896688231 1015704432 /nfs/dbraw/zinc/70/44/32/1015704432.db2.gz ITUUIIDHRKVWJZ-MRXNPFEDSA-N 0 3 319.376 3.789 20 10 DHCDHN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)n[nH]1 ZINC000277234236 1016090567 /nfs/dbraw/zinc/09/05/67/1016090567.db2.gz MPBFERVZEQOQAA-YNEHKIRRSA-N 0 3 302.422 3.744 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000184968009 1016469680 /nfs/dbraw/zinc/46/96/80/1016469680.db2.gz CTMZPONAVIWFSS-MRXNPFEDSA-N 0 3 321.424 3.780 20 10 DHCDHN COc1ccc(CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185095186 1016547357 /nfs/dbraw/zinc/54/73/57/1016547357.db2.gz NZIVWIOGIQLPJL-CYBMUJFWSA-N 0 3 303.377 3.823 20 10 DHCDHN CCCCOc1ncccc1CN[C@@H](C)c1cc(F)ccc1O ZINC000185143736 1016639795 /nfs/dbraw/zinc/63/97/95/1016639795.db2.gz QJFUWGKLIRSMSM-ZDUSSCGKSA-N 0 3 318.392 3.956 20 10 DHCDHN CSc1ccc(OCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000072629632 1016731723 /nfs/dbraw/zinc/73/17/23/1016731723.db2.gz NFSJXZGRHCTRHT-UHFFFAOYSA-N 0 3 303.427 3.625 20 10 DHCDHN CSc1ccc(OCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000072629632 1016731735 /nfs/dbraw/zinc/73/17/35/1016731735.db2.gz NFSJXZGRHCTRHT-UHFFFAOYSA-N 0 3 303.427 3.625 20 10 DHCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185419101 1016907268 /nfs/dbraw/zinc/90/72/68/1016907268.db2.gz IGCDJDAILPEXLD-NRFANRHFSA-N 0 3 319.404 3.882 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cc(F)ccc2OC)c1 ZINC000192809107 1017066871 /nfs/dbraw/zinc/06/68/71/1017066871.db2.gz FLOIBBAPTAQRGH-NEPJUHHUSA-N 0 3 319.376 3.960 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1[O-] ZINC001171345632 1032507793 /nfs/dbraw/zinc/50/77/93/1032507793.db2.gz LSOMURQLJQKYOT-FZMZJTMJSA-N 0 3 303.352 3.879 20 10 DHCDHN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773052204 1032542818 /nfs/dbraw/zinc/54/28/18/1032542818.db2.gz WZIYGHHGYXCXPS-CZUORRHYSA-N 0 3 304.459 3.507 20 10 DHCDHN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccnnc1 ZINC000925011131 1012764643 /nfs/dbraw/zinc/76/46/43/1012764643.db2.gz KSOXCBMHDJLMSQ-INIZCTEOSA-N 0 3 310.445 3.564 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000840880206 1017299858 /nfs/dbraw/zinc/29/98/58/1017299858.db2.gz JHSHYCBEAAWSFE-CRAIPNDOSA-N 0 3 317.404 3.657 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC000716294596 1032691596 /nfs/dbraw/zinc/69/15/96/1032691596.db2.gz WCHXPTJJMFRVTQ-SJLPKXTDSA-N 0 3 310.441 3.626 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000701921666 1018122472 /nfs/dbraw/zinc/12/24/72/1018122472.db2.gz ZKZKSQXBIYFDIH-ZIAGYGMSSA-N 0 3 322.449 3.607 20 10 DHCDHN CCOc1ccc(CN[C@@H]2CSc3ccccc32)c(O)c1 ZINC000735509117 1018476313 /nfs/dbraw/zinc/47/63/13/1018476313.db2.gz UZZSKVKLWVKTRF-OAHLLOKOSA-N 0 3 301.411 3.728 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2CSc3ccccc32)c([O-])c1 ZINC000735509117 1018476318 /nfs/dbraw/zinc/47/63/18/1018476318.db2.gz UZZSKVKLWVKTRF-OAHLLOKOSA-N 0 3 301.411 3.728 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cc(F)ccc1[O-] ZINC000926918929 1032762951 /nfs/dbraw/zinc/76/29/51/1032762951.db2.gz JVUWNQHPSKGCQO-RYUDHWBXSA-N 0 3 301.361 3.706 20 10 DHCDHN CC(C)n1cc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000765946207 1018957662 /nfs/dbraw/zinc/95/76/62/1018957662.db2.gz ONTIVJWSPCMQNG-CABCVRRESA-N 0 3 300.450 3.942 20 10 DHCDHN Cc1nc2c(s1)[C@@H](NCc1ccc3c(c1)CCCO3)CCC2 ZINC000921981897 1019256229 /nfs/dbraw/zinc/25/62/29/1019256229.db2.gz WXPOXDHOALREBL-HNNXBMFYSA-N 0 3 314.454 3.944 20 10 DHCDHN CCCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1[O-] ZINC000282324050 1019327235 /nfs/dbraw/zinc/32/72/35/1019327235.db2.gz AGVQTAGLLKHRLS-UHFFFAOYSA-N 0 3 301.434 3.545 20 10 DHCDHN CCCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1[O-] ZINC000282324050 1019327247 /nfs/dbraw/zinc/32/72/47/1019327247.db2.gz AGVQTAGLLKHRLS-UHFFFAOYSA-N 0 3 301.434 3.545 20 10 DHCDHN COc1cccc(CNCc2csc(C(F)(F)F)c2)c1O ZINC000858305407 1032834781 /nfs/dbraw/zinc/83/47/81/1032834781.db2.gz ZFNWPOUYKROHSC-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN CCOC[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093838892 1019583855 /nfs/dbraw/zinc/58/38/55/1019583855.db2.gz OGONAHZNVUOLLK-MRXNPFEDSA-N 0 3 311.425 3.918 20 10 DHCDHN CCOC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093838892 1019583868 /nfs/dbraw/zinc/58/38/68/1019583868.db2.gz OGONAHZNVUOLLK-MRXNPFEDSA-N 0 3 311.425 3.918 20 10 DHCDHN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(cc1O)CCC2 ZINC000727429367 1019711645 /nfs/dbraw/zinc/71/16/45/1019711645.db2.gz JRSRSKVXTWJAGM-QVKFZJNVSA-N 0 3 323.436 3.843 20 10 DHCDHN COCc1csc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000922248617 1019927704 /nfs/dbraw/zinc/92/77/04/1019927704.db2.gz PNDPJQRKOBXODD-UHFFFAOYSA-N 0 3 303.427 3.509 20 10 DHCDHN COc1cc(Br)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000091937424 1020056717 /nfs/dbraw/zinc/05/67/17/1020056717.db2.gz MDCKIWNKUSIKQZ-AOOOYVTPSA-N 0 3 314.223 3.536 20 10 DHCDHN COc1cc(Br)cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000091937424 1020056731 /nfs/dbraw/zinc/05/67/31/1020056731.db2.gz MDCKIWNKUSIKQZ-AOOOYVTPSA-N 0 3 314.223 3.536 20 10 DHCDHN CN(C)c1ccc(/C=C\CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922585327 1020143631 /nfs/dbraw/zinc/14/36/31/1020143631.db2.gz RMDNVDVGGZQKED-KKHYBRAUSA-N 0 3 307.441 3.902 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000765995300 1020204395 /nfs/dbraw/zinc/20/43/95/1020204395.db2.gz UFMYNQWGQZJFSZ-SUMWQHHRSA-N 0 3 322.880 3.788 20 10 DHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])c(OC)c1 ZINC000179554188 1020408915 /nfs/dbraw/zinc/40/89/15/1020408915.db2.gz XGQCYWZBCHMSJG-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2[O-])c(OC)c1 ZINC000179554188 1020408919 /nfs/dbraw/zinc/40/89/19/1020408919.db2.gz XGQCYWZBCHMSJG-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000179581462 1020411337 /nfs/dbraw/zinc/41/13/37/1020411337.db2.gz SMRSAUWKJLKGBE-LJQANCHMSA-N 0 3 311.425 3.654 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000179581462 1020411342 /nfs/dbraw/zinc/41/13/42/1020411342.db2.gz SMRSAUWKJLKGBE-LJQANCHMSA-N 0 3 311.425 3.654 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000858490703 1032917312 /nfs/dbraw/zinc/91/73/12/1032917312.db2.gz MHSJNFYLBHJNGX-BBRMVZONSA-N 0 3 310.869 3.818 20 10 DHCDHN CCOc1cccc(CN[C@H]2CSc3ccccc32)c1O ZINC000735508516 1020742048 /nfs/dbraw/zinc/74/20/48/1020742048.db2.gz CHRBFFPNWLUNDY-AWEZNQCLSA-N 0 3 301.411 3.728 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000926960347 1032936873 /nfs/dbraw/zinc/93/68/73/1032936873.db2.gz FMCMECFMADWRJM-ZFWWWQNUSA-N 0 3 318.383 3.624 20 10 DHCDHN Cc1cc(CN[C@H](C)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000858541798 1032938638 /nfs/dbraw/zinc/93/86/38/1032938638.db2.gz DGVVREHSZZEVKR-OAHLLOKOSA-N 0 3 322.456 3.987 20 10 DHCDHN CO[C@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000858584999 1032958098 /nfs/dbraw/zinc/95/80/98/1032958098.db2.gz ZJQMUXLQDSNNTL-ZHALLVOQSA-N 0 3 311.425 3.833 20 10 DHCDHN C[C@H]([NH2+]CCCn1cnc2ccccc21)c1cc(F)ccc1[O-] ZINC000176981494 1021190021 /nfs/dbraw/zinc/19/00/21/1021190021.db2.gz WDXKLWWAENMACA-ZDUSSCGKSA-N 0 3 313.376 3.622 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cc(F)ccc1[O-] ZINC000376520329 1021214662 /nfs/dbraw/zinc/21/46/62/1021214662.db2.gz YIWGHDCPOBZVGE-GFCCVEGCSA-N 0 3 311.360 3.772 20 10 DHCDHN CN(C)c1ccc(/C=C/CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850374974 1021497600 /nfs/dbraw/zinc/49/76/00/1021497600.db2.gz OWQGLNBBXMELNF-KPDZFXRVSA-N 0 3 308.425 3.534 20 10 DHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000850486768 1021561050 /nfs/dbraw/zinc/56/10/50/1021561050.db2.gz JYRMKXYEHHGCIN-GOEBONIOSA-N 0 3 314.429 3.835 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccccc1[O-] ZINC000850501691 1021563718 /nfs/dbraw/zinc/56/37/18/1021563718.db2.gz PRPQQESNJCGXHV-KRWDZBQOSA-N 0 3 311.429 3.628 20 10 DHCDHN COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1 ZINC000850514643 1021571330 /nfs/dbraw/zinc/57/13/30/1021571330.db2.gz ONAQCXPKDPIHGX-SJCJKPOMSA-N 0 3 319.376 3.578 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H](c3ccccc3)CO1)CC2 ZINC000850532329 1021588186 /nfs/dbraw/zinc/58/81/86/1021588186.db2.gz SOFQWXMVYJBXPH-OKZBNKHCSA-N 0 3 309.409 3.542 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1[O-] ZINC000850541734 1021595443 /nfs/dbraw/zinc/59/54/43/1021595443.db2.gz ZJPRMBJYJAXOFI-SZMVWBNQSA-N 0 3 313.445 3.578 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2[O-] ZINC000850569746 1021612449 /nfs/dbraw/zinc/61/24/49/1021612449.db2.gz ALEHUIDVSZDSPZ-ONGXEEELSA-N 0 3 313.463 3.865 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]CCC2SCCS2)c2c1c(F)ccc2[O-] ZINC000850569744 1021613162 /nfs/dbraw/zinc/61/31/62/1021613162.db2.gz ALEHUIDVSZDSPZ-KOLCDFICSA-N 0 3 313.463 3.865 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850584843 1021624710 /nfs/dbraw/zinc/62/47/10/1021624710.db2.gz UAAPSJMPHXLLPQ-FTRWYGJKSA-N 0 3 312.457 3.915 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCN1Cc1ccccc1 ZINC000379646474 1021657451 /nfs/dbraw/zinc/65/74/51/1021657451.db2.gz JEYVYTQYAOOPBX-APWZRJJASA-N 0 3 310.441 3.535 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000752264865 1022046887 /nfs/dbraw/zinc/04/68/87/1022046887.db2.gz GDIXZZOXJPQQBU-NEPJUHHUSA-N 0 3 317.351 3.859 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2ccccc2C)cc1 ZINC000766399218 1022092313 /nfs/dbraw/zinc/09/23/13/1022092313.db2.gz JMDDZMGNSZRNKT-UZLBHIALSA-N 0 3 312.457 3.835 20 10 DHCDHN COc1cc(Br)cc(C[N@H+](C(C)C)C2CC2)c1[O-] ZINC000121325486 1022156855 /nfs/dbraw/zinc/15/68/55/1022156855.db2.gz UOLRSFIPQPNZHR-UHFFFAOYSA-N 0 3 314.223 3.536 20 10 DHCDHN COc1cc(Br)cc(C[N@@H+](C(C)C)C2CC2)c1[O-] ZINC000121325486 1022156864 /nfs/dbraw/zinc/15/68/64/1022156864.db2.gz UOLRSFIPQPNZHR-UHFFFAOYSA-N 0 3 314.223 3.536 20 10 DHCDHN C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183556566 1022189507 /nfs/dbraw/zinc/18/95/07/1022189507.db2.gz QUBLQUXQRGDIBP-XYJFISCASA-N 0 3 310.441 3.706 20 10 DHCDHN COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183630817 1022226776 /nfs/dbraw/zinc/22/67/76/1022226776.db2.gz GGZPXQWBFAICBB-AWEZNQCLSA-N 0 3 315.413 3.693 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOCCF ZINC000853238772 1022239201 /nfs/dbraw/zinc/23/92/01/1022239201.db2.gz QIIDGIGDNVORCN-GOSISDBHSA-N 0 3 317.404 3.642 20 10 DHCDHN COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccccc3[O-])c21 ZINC000183716842 1022313362 /nfs/dbraw/zinc/31/33/62/1022313362.db2.gz ZOIYBFCMWULLTL-CYBMUJFWSA-N 0 3 310.397 3.775 20 10 DHCDHN Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756461544 1022398308 /nfs/dbraw/zinc/39/83/08/1022398308.db2.gz UPIGDTBFCDCQPR-SRCQZFHVSA-N 0 3 315.388 3.711 20 10 DHCDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])Oc1ccccc1F ZINC000185576531 1022502781 /nfs/dbraw/zinc/50/27/81/1022502781.db2.gz KRPUMXYMGIKVOP-VXGBXAGGSA-N 0 3 307.340 3.789 20 10 DHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001169753953 1022530248 /nfs/dbraw/zinc/53/02/48/1022530248.db2.gz DZEPVAMZFZZSPS-VDZJLULYSA-N 0 3 303.446 3.952 20 10 DHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001169753953 1022530257 /nfs/dbraw/zinc/53/02/57/1022530257.db2.gz DZEPVAMZFZZSPS-VDZJLULYSA-N 0 3 303.446 3.952 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000180208133 1022669260 /nfs/dbraw/zinc/66/92/60/1022669260.db2.gz FWYQDZGPOVROMF-QGZVFWFLSA-N 0 3 300.377 3.608 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000180208133 1022669263 /nfs/dbraw/zinc/66/92/63/1022669263.db2.gz FWYQDZGPOVROMF-QGZVFWFLSA-N 0 3 300.377 3.608 20 10 DHCDHN Cc1cc(O)c(CNCc2cccc(OC(C)(C)C)n2)cc1C ZINC000767418623 1022713801 /nfs/dbraw/zinc/71/38/01/1022713801.db2.gz ZOFIJSLRKHFMCX-UHFFFAOYSA-N 0 3 314.429 3.871 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000068973645 1022822118 /nfs/dbraw/zinc/82/21/18/1022822118.db2.gz IVOLNMIVJFBFOE-SFHVURJKSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000068973645 1022822133 /nfs/dbraw/zinc/82/21/33/1022822133.db2.gz IVOLNMIVJFBFOE-SFHVURJKSA-N 0 3 321.367 3.616 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000768137624 1022905361 /nfs/dbraw/zinc/90/53/61/1022905361.db2.gz PPUVAYGIGPUGKX-UHFFFAOYSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1[O-] ZINC000857064843 1022941043 /nfs/dbraw/zinc/94/10/43/1022941043.db2.gz DXKCOZDKQFUIPS-SECBINFHSA-N 0 3 324.635 3.728 20 10 DHCDHN CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464742 1022972021 /nfs/dbraw/zinc/97/20/21/1022972021.db2.gz TVBUPNFPPVOXCN-YJBOKZPZSA-N 0 3 319.445 3.609 20 10 DHCDHN CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464742 1022972028 /nfs/dbraw/zinc/97/20/28/1022972028.db2.gz TVBUPNFPPVOXCN-YJBOKZPZSA-N 0 3 319.445 3.609 20 10 DHCDHN C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000310081247 1022990567 /nfs/dbraw/zinc/99/05/67/1022990567.db2.gz JLBRBZKNMDZVKV-UTKZUKDTSA-N 0 3 324.468 3.955 20 10 DHCDHN Oc1cccc2c1[C@@H](NCc1sccc1Br)CC2 ZINC000296268464 1023007483 /nfs/dbraw/zinc/00/74/83/1023007483.db2.gz BVWHPLQJNNULQD-NSHDSACASA-N 0 3 324.243 3.993 20 10 DHCDHN CN(Cc1ccccc1O)Cc1ccccc1OC(F)(F)F ZINC000768872815 1023044729 /nfs/dbraw/zinc/04/47/29/1023044729.db2.gz IYZPGBGBOAFUGZ-UHFFFAOYSA-N 0 3 311.303 3.923 20 10 DHCDHN CN(C)c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000769316595 1023120680 /nfs/dbraw/zinc/12/06/80/1023120680.db2.gz JSYBCYZMKVEXAL-SFHVURJKSA-N 0 3 324.424 3.818 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)c1[O-] ZINC000769317968 1023121235 /nfs/dbraw/zinc/12/12/35/1023121235.db2.gz CXTQEIGFBOLCPL-GOSISDBHSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)c1[O-] ZINC000769317968 1023121242 /nfs/dbraw/zinc/12/12/42/1023121242.db2.gz CXTQEIGFBOLCPL-GOSISDBHSA-N 0 3 311.425 3.916 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769499963 1023166559 /nfs/dbraw/zinc/16/65/59/1023166559.db2.gz YAADKMRHWLUSCP-RDJZCZTQSA-N 0 3 307.459 3.651 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769499963 1023166562 /nfs/dbraw/zinc/16/65/62/1023166562.db2.gz YAADKMRHWLUSCP-RDJZCZTQSA-N 0 3 307.459 3.651 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769557907 1023179193 /nfs/dbraw/zinc/17/91/93/1023179193.db2.gz DGCLDQKCUUQDJM-GFCCVEGCSA-N 0 3 319.351 3.669 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769557907 1023179198 /nfs/dbraw/zinc/17/91/98/1023179198.db2.gz DGCLDQKCUUQDJM-GFCCVEGCSA-N 0 3 319.351 3.669 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769557910 1023179536 /nfs/dbraw/zinc/17/95/36/1023179536.db2.gz DGCLDQKCUUQDJM-LBPRGKRZSA-N 0 3 319.351 3.669 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769557910 1023179537 /nfs/dbraw/zinc/17/95/37/1023179537.db2.gz DGCLDQKCUUQDJM-LBPRGKRZSA-N 0 3 319.351 3.669 20 10 DHCDHN C[C@H](N[C@H](CO)c1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000769986275 1023256274 /nfs/dbraw/zinc/25/62/74/1023256274.db2.gz HRLNLHSZNDWPLM-YVEFUNNKSA-N 0 3 317.454 3.717 20 10 DHCDHN Cc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c([O-])c1 ZINC000876771040 1033140268 /nfs/dbraw/zinc/14/02/68/1033140268.db2.gz UBBHYIPDRKTUBN-SFHVURJKSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c([O-])c1 ZINC000876771040 1033140272 /nfs/dbraw/zinc/14/02/72/1033140272.db2.gz UBBHYIPDRKTUBN-SFHVURJKSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000876775745 1033140288 /nfs/dbraw/zinc/14/02/88/1033140288.db2.gz FBXZEANCMVTBLN-UHFFFAOYSA-N 0 3 309.409 3.722 20 10 DHCDHN CO[C@H](CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000786949077 1023740229 /nfs/dbraw/zinc/74/02/29/1023740229.db2.gz IBRWXVIYNHEAJC-MKPLZMMCSA-N 0 3 321.314 3.637 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1C ZINC000746667148 1023781590 /nfs/dbraw/zinc/78/15/90/1023781590.db2.gz VYLFOESSODUTEQ-IBGZPJMESA-N 0 3 317.404 3.785 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1C ZINC000746667148 1023781595 /nfs/dbraw/zinc/78/15/95/1023781595.db2.gz VYLFOESSODUTEQ-IBGZPJMESA-N 0 3 317.404 3.785 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c([O-])c1 ZINC000788693334 1023921866 /nfs/dbraw/zinc/92/18/66/1023921866.db2.gz SFFNHEXSVAERGS-JKSUJKDBSA-N 0 3 305.462 3.848 20 10 DHCDHN CCc1cccc2cc(CNCc3cccc(OC)c3O)oc21 ZINC000825917310 1033172815 /nfs/dbraw/zinc/17/28/15/1033172815.db2.gz ZRVRWCOYTZZSQP-UHFFFAOYSA-N 0 3 311.381 3.999 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c([O-])c1 ZINC000788815683 1023940080 /nfs/dbraw/zinc/94/00/80/1023940080.db2.gz PQWUOGJLHSJGEO-DOTOQJQBSA-N 0 3 305.462 3.848 20 10 DHCDHN COc1ccc(OC)c([C@H](C)NCc2ccc(C)cc2O)c1 ZINC000876895846 1033178591 /nfs/dbraw/zinc/17/85/91/1033178591.db2.gz MOMUOSCFNLNWIY-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1cccc(O)c1CNCc1cccnc1OC1CCCC1 ZINC000876930501 1033187210 /nfs/dbraw/zinc/18/72/10/1033187210.db2.gz PKXULPNOKWGCAJ-UHFFFAOYSA-N 0 3 312.413 3.707 20 10 DHCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCCC3)cc2)c(C)n1 ZINC000268827996 1024172489 /nfs/dbraw/zinc/17/24/89/1024172489.db2.gz PYXUUKOSMUJSFU-AWEZNQCLSA-N 0 3 310.445 3.544 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000876968798 1033194158 /nfs/dbraw/zinc/19/41/58/1033194158.db2.gz UBUDBNSEPAYECP-AZUAARDMSA-N 0 3 311.425 3.958 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3CSC)c2c1 ZINC000130908957 1024227864 /nfs/dbraw/zinc/22/78/64/1024227864.db2.gz GACFDXIFQIACCN-AWEZNQCLSA-N 0 3 317.454 3.881 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3CSC)c2c1 ZINC000130908957 1024227875 /nfs/dbraw/zinc/22/78/75/1024227875.db2.gz GACFDXIFQIACCN-AWEZNQCLSA-N 0 3 317.454 3.881 20 10 DHCDHN CCN(C(=O)c1cccc2c1CCNC2)c1cc(C)cc(C)c1 ZINC000662523938 1024240003 /nfs/dbraw/zinc/24/00/03/1024240003.db2.gz RIJAFBXKAAJRRY-UHFFFAOYSA-N 0 3 308.425 3.616 20 10 DHCDHN CCCCOc1ncccc1CNCc1ccc(C)cc1O ZINC000876986297 1033197535 /nfs/dbraw/zinc/19/75/35/1033197535.db2.gz BMHUUWBYGLPWKA-UHFFFAOYSA-N 0 3 300.402 3.564 20 10 DHCDHN COc1ccc(C2CC2)cc1CNCc1cccc(OC)c1O ZINC000883258673 1024328722 /nfs/dbraw/zinc/32/87/22/1024328722.db2.gz KQLMQGZVGODSPR-UHFFFAOYSA-N 0 3 313.397 3.577 20 10 DHCDHN Cc1nn(C(C)(C)C)c(C)c1CN(C)Cc1ccccc1O ZINC000271134850 1024459520 /nfs/dbraw/zinc/45/95/20/1024459520.db2.gz RBCMGHWYHKMRDB-UHFFFAOYSA-N 0 3 301.434 3.593 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000271361122 1024495303 /nfs/dbraw/zinc/49/53/03/1024495303.db2.gz NHEOKKAHCQYVOL-PKOBYXMFSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000271361122 1024495311 /nfs/dbraw/zinc/49/53/11/1024495311.db2.gz NHEOKKAHCQYVOL-PKOBYXMFSA-N 0 3 315.388 3.619 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000132802579 1024506987 /nfs/dbraw/zinc/50/69/87/1024506987.db2.gz MUYCQLVRGSSQJJ-SJLPKXTDSA-N 0 3 310.441 3.707 20 10 DHCDHN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccccc1O ZINC000271444496 1024507980 /nfs/dbraw/zinc/50/79/80/1024507980.db2.gz SOQUMUBQGXZZIW-QGZVFWFLSA-N 0 3 307.397 3.616 20 10 DHCDHN C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000283478637 1024672579 /nfs/dbraw/zinc/67/25/79/1024672579.db2.gz WXUOIFIAMPCVJB-GUYCJALGSA-N 0 3 318.848 3.999 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000318187608 1024699577 /nfs/dbraw/zinc/69/95/77/1024699577.db2.gz QRZAQYXXXXTKAI-ZDUSSCGKSA-N 0 3 300.358 3.768 20 10 DHCDHN COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000747100428 1024885491 /nfs/dbraw/zinc/88/54/91/1024885491.db2.gz ZCMYZCKQXGPHSB-KGLIPLIRSA-N 0 3 315.413 3.691 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000793230088 1024945729 /nfs/dbraw/zinc/94/57/29/1024945729.db2.gz DXPOFWQOCXJKTC-ZWNOBZJWSA-N 0 3 303.324 3.564 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000793230088 1024945739 /nfs/dbraw/zinc/94/57/39/1024945739.db2.gz DXPOFWQOCXJKTC-ZWNOBZJWSA-N 0 3 303.324 3.564 20 10 DHCDHN CCC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000793235308 1024952816 /nfs/dbraw/zinc/95/28/16/1024952816.db2.gz FVQFFAJGCPMNFE-WMZOPIPTSA-N 0 3 303.377 3.523 20 10 DHCDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877133339 1033248314 /nfs/dbraw/zinc/24/83/14/1033248314.db2.gz FJYMVZKNLHZJMK-KUHUBIRLSA-N 0 3 315.413 3.575 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793353281 1024997129 /nfs/dbraw/zinc/99/71/29/1024997129.db2.gz QYVJAVHJKUKSCO-HOCLYGCPSA-N 0 3 315.388 3.966 20 10 DHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000134230847 1025029012 /nfs/dbraw/zinc/02/90/12/1025029012.db2.gz BEGXLYRCOAKTMF-UHFFFAOYSA-N 0 3 310.166 3.584 20 10 DHCDHN COc1ccc(CNCc2cc(Cl)ccc2Cl)c(O)c1 ZINC000793389491 1025030933 /nfs/dbraw/zinc/03/09/33/1025030933.db2.gz ZOXYJDCSLZJACE-UHFFFAOYSA-N 0 3 312.196 3.997 20 10 DHCDHN CCCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793388726 1025032054 /nfs/dbraw/zinc/03/20/54/1025032054.db2.gz SFAVYDZTWFDHDS-UHFFFAOYSA-N 0 3 315.413 3.870 20 10 DHCDHN CC(C)OC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000135187101 1025192429 /nfs/dbraw/zinc/19/24/29/1025192429.db2.gz KHQLXSUTVSKQFL-UHFFFAOYSA-N 0 3 313.397 3.589 20 10 DHCDHN CC(C)OC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000135187101 1025192446 /nfs/dbraw/zinc/19/24/46/1025192446.db2.gz KHQLXSUTVSKQFL-UHFFFAOYSA-N 0 3 313.397 3.589 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000123908927 1025311770 /nfs/dbraw/zinc/31/17/70/1025311770.db2.gz BLZUKWSYTGXBBN-AWEZNQCLSA-N 0 3 314.429 3.621 20 10 DHCDHN CC[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(C)cc1[O-] ZINC000279923703 1025436449 /nfs/dbraw/zinc/43/64/49/1025436449.db2.gz AHUWXRBVYBNGRW-KRWDZBQOSA-N 0 3 309.413 3.632 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877337183 1033285172 /nfs/dbraw/zinc/28/51/72/1033285172.db2.gz RFYIDJALDBGNGD-IEBWSBKVSA-N 0 3 315.388 3.850 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806141072 1025799977 /nfs/dbraw/zinc/79/99/77/1025799977.db2.gz FOZIFMJCQJCUJV-ZENOOKHLSA-N 0 3 310.869 3.959 20 10 DHCDHN CCOc1ccc(O)c(CNCc2cccc(Cl)c2OC)c1 ZINC000897483808 1025910941 /nfs/dbraw/zinc/91/09/41/1025910941.db2.gz WDDOKZYKTYKMOQ-UHFFFAOYSA-N 0 3 321.804 3.743 20 10 DHCDHN CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCCC2 ZINC000236988229 1026007882 /nfs/dbraw/zinc/00/78/82/1026007882.db2.gz QIYKNGAEJWHXEZ-ROUUACIJSA-N 0 3 319.445 3.618 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000808691188 1026349188 /nfs/dbraw/zinc/34/91/88/1026349188.db2.gz GBHLOBINCSAYDE-XJKSGUPXSA-N 0 3 319.832 3.608 20 10 DHCDHN CC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])N1CCCC1 ZINC000808675743 1026352752 /nfs/dbraw/zinc/35/27/52/1026352752.db2.gz QTCFFMUTUVQCPQ-ZFWWWQNUSA-N 0 3 310.869 3.879 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1[O-] ZINC000808672229 1026354650 /nfs/dbraw/zinc/35/46/50/1026354650.db2.gz GZRGNOHGRAMXPH-NSHDSACASA-N 0 3 319.788 3.934 20 10 DHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H](O)c1ccccc1 ZINC000808719407 1026364903 /nfs/dbraw/zinc/36/49/03/1026364903.db2.gz FIROLZHLGPIFDD-VAOGDNLBSA-N 0 3 315.388 3.791 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1[O-] ZINC000808699081 1026372540 /nfs/dbraw/zinc/37/25/40/1026372540.db2.gz RUWIUFYYDHCHQN-SPGJAERMSA-N 0 3 309.837 3.818 20 10 DHCDHN CCOc1ccccc1CN(C)Cc1cc(C)cc(OC)c1O ZINC000178862548 1026425599 /nfs/dbraw/zinc/42/55/99/1026425599.db2.gz IYXJBYQBOOARLS-UHFFFAOYSA-N 0 3 315.413 3.740 20 10 DHCDHN CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000280282320 1026627033 /nfs/dbraw/zinc/62/70/33/1026627033.db2.gz YQPUYIWKHBEMDM-RDJZCZTQSA-N 0 3 305.443 3.711 20 10 DHCDHN CC1(C)CN(Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000809789997 1026627562 /nfs/dbraw/zinc/62/75/62/1026627562.db2.gz RQEOMIZPVSRXCN-UHFFFAOYSA-N 0 3 301.361 3.705 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C)cc1[O-] ZINC000280276104 1026630104 /nfs/dbraw/zinc/63/01/04/1026630104.db2.gz YDUZBDOISCCHTK-HFTRVMKXSA-N 0 3 321.486 3.796 20 10 DHCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000296238711 1027583421 /nfs/dbraw/zinc/58/34/21/1027583421.db2.gz ASQBCTCDADRXHO-NWDGAFQWSA-N 0 3 305.340 3.709 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000813330758 1027609399 /nfs/dbraw/zinc/60/93/99/1027609399.db2.gz GQXABGULGFQPIJ-CYBMUJFWSA-N 0 3 323.396 3.642 20 10 DHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc([O-])c(F)c1 ZINC000813334607 1027611967 /nfs/dbraw/zinc/61/19/67/1027611967.db2.gz RKNQTZQHRKHBHZ-UHFFFAOYSA-N 0 3 302.393 3.619 20 10 DHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc([O-])c(F)c1 ZINC000813334607 1027611972 /nfs/dbraw/zinc/61/19/72/1027611972.db2.gz RKNQTZQHRKHBHZ-UHFFFAOYSA-N 0 3 302.393 3.619 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(CO)cc1)C1CCCC1 ZINC000778944972 1027631269 /nfs/dbraw/zinc/63/12/69/1027631269.db2.gz ZRXLUJDYXYVJIM-UHFFFAOYSA-N 0 3 311.425 3.829 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(CO)cc1)C1CCCC1 ZINC000778944972 1027631270 /nfs/dbraw/zinc/63/12/70/1027631270.db2.gz ZRXLUJDYXYVJIM-UHFFFAOYSA-N 0 3 311.425 3.829 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000778994227 1027730439 /nfs/dbraw/zinc/73/04/39/1027730439.db2.gz IMAJVOAZEVLTNO-UHFFFAOYSA-N 0 3 301.336 3.960 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000778994227 1027730452 /nfs/dbraw/zinc/73/04/52/1027730452.db2.gz IMAJVOAZEVLTNO-UHFFFAOYSA-N 0 3 301.336 3.960 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000779001451 1027749248 /nfs/dbraw/zinc/74/92/48/1027749248.db2.gz DZVRXESVPUHIBI-QUCCMNQESA-N 0 3 311.425 3.992 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000779001451 1027749265 /nfs/dbraw/zinc/74/92/65/1027749265.db2.gz DZVRXESVPUHIBI-QUCCMNQESA-N 0 3 311.425 3.992 20 10 DHCDHN COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779000078 1027756480 /nfs/dbraw/zinc/75/64/80/1027756480.db2.gz PCXNJHBJIBGIEK-KRWDZBQOSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])c1 ZINC000779000078 1027756502 /nfs/dbraw/zinc/75/65/02/1027756502.db2.gz PCXNJHBJIBGIEK-KRWDZBQOSA-N 0 3 315.388 3.747 20 10 DHCDHN CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779018904 1027850525 /nfs/dbraw/zinc/85/05/25/1027850525.db2.gz IZARIUYGGXOAFC-SFHVURJKSA-N 0 3 317.404 3.550 20 10 DHCDHN CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779018904 1027850540 /nfs/dbraw/zinc/85/05/40/1027850540.db2.gz IZARIUYGGXOAFC-SFHVURJKSA-N 0 3 317.404 3.550 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(Cc2nccn2C)CC1 ZINC000364621278 1027854583 /nfs/dbraw/zinc/85/45/83/1027854583.db2.gz GZMOAINFICAYMQ-QGZVFWFLSA-N 0 3 313.445 3.532 20 10 DHCDHN CCc1nc([C@H]2CCC[N@@H+]([C@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624507 1027860128 /nfs/dbraw/zinc/86/01/28/1027860128.db2.gz SYFKONWGEGQECP-DZGCQCFKSA-N 0 3 315.417 3.668 20 10 DHCDHN CCc1nc([C@H]2CCC[N@H+]([C@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624507 1027860150 /nfs/dbraw/zinc/86/01/50/1027860150.db2.gz SYFKONWGEGQECP-DZGCQCFKSA-N 0 3 315.417 3.668 20 10 DHCDHN CCOc1ccc(CN2Cc3ccccc3O[C@H](C)C2)c(O)c1 ZINC000814177757 1027915563 /nfs/dbraw/zinc/91/55/63/1027915563.db2.gz NXKZMPSQZZEPSR-CQSZACIVSA-N 0 3 313.397 3.574 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000814300053 1028002041 /nfs/dbraw/zinc/00/20/41/1028002041.db2.gz FXVBGXSVNYABLY-JCNLHEQBSA-N 0 3 315.388 3.966 20 10 DHCDHN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)cc1 ZINC000780793966 1028183444 /nfs/dbraw/zinc/18/34/44/1028183444.db2.gz ZWXZOGOGVQBXGR-JSGCOSHPSA-N 0 3 300.368 3.915 20 10 DHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000779087376 1028222386 /nfs/dbraw/zinc/22/23/86/1028222386.db2.gz LBDVSUILGPMSOF-SOZUMNATSA-N 0 3 301.361 3.574 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(c2nccs2)CC1 ZINC000368028633 1028284759 /nfs/dbraw/zinc/28/47/59/1028284759.db2.gz FEDOFBLEAYHTFX-HNNXBMFYSA-N 0 3 317.458 3.512 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(c2nccs2)CC1 ZINC000368028633 1028284778 /nfs/dbraw/zinc/28/47/78/1028284778.db2.gz FEDOFBLEAYHTFX-HNNXBMFYSA-N 0 3 317.458 3.512 20 10 DHCDHN Cc1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815118968 1028367588 /nfs/dbraw/zinc/36/75/88/1028367588.db2.gz NWROIWXOJDAMLI-OALUTQOASA-N 0 3 314.473 3.595 20 10 DHCDHN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815159145 1028385459 /nfs/dbraw/zinc/38/54/59/1028385459.db2.gz KAKNAYXOWQHAFU-QRWLVFNGSA-N 0 3 311.425 3.700 20 10 DHCDHN COc1ccc(CC(C)(C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000188939899 1028540180 /nfs/dbraw/zinc/54/01/80/1028540180.db2.gz KOMRZSVRPJFOHW-UHFFFAOYSA-N 0 3 303.377 3.651 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC000815564244 1028547008 /nfs/dbraw/zinc/54/70/08/1028547008.db2.gz CPACFJIPYWKJIY-WMZOPIPTSA-N 0 3 313.441 3.511 20 10 DHCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])c2ccccc21 ZINC000370372977 1028592473 /nfs/dbraw/zinc/59/24/73/1028592473.db2.gz GVFWJDOZOJKXSX-KBXCAEBGSA-N 0 3 324.424 3.849 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000815645637 1028593016 /nfs/dbraw/zinc/59/30/16/1028593016.db2.gz LTUNABUVFOAQKW-UWVGGRQHSA-N 0 3 304.203 3.862 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000779188668 1028666401 /nfs/dbraw/zinc/66/64/01/1028666401.db2.gz WQYBXFAFCINOMA-INIZCTEOSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000779188668 1028666408 /nfs/dbraw/zinc/66/64/08/1028666408.db2.gz WQYBXFAFCINOMA-INIZCTEOSA-N 0 3 309.837 3.745 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](n2nc(C)cc2C)C1 ZINC000372597182 1028875426 /nfs/dbraw/zinc/87/54/26/1028875426.db2.gz XUJIVPPEFIDESN-FUHWJXTLSA-N 0 3 313.445 3.994 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](n2nc(C)cc2C)C1 ZINC000372597182 1028875435 /nfs/dbraw/zinc/87/54/35/1028875435.db2.gz XUJIVPPEFIDESN-FUHWJXTLSA-N 0 3 313.445 3.994 20 10 DHCDHN C[N@H+](CCNCc1cc(Cl)c(F)cc1[O-])C1CCCCC1 ZINC000816542708 1028927222 /nfs/dbraw/zinc/92/72/22/1028927222.db2.gz YPPOWXPJGMPLKW-UHFFFAOYSA-N 0 3 314.832 3.539 20 10 DHCDHN C[N@@H+](CCNCc1cc(Cl)c(F)cc1[O-])C1CCCCC1 ZINC000816542708 1028927231 /nfs/dbraw/zinc/92/72/31/1028927231.db2.gz YPPOWXPJGMPLKW-UHFFFAOYSA-N 0 3 314.832 3.539 20 10 DHCDHN C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608976 1028959648 /nfs/dbraw/zinc/95/96/48/1028959648.db2.gz OWBKSGCEXYNDHD-CRAIPNDOSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608976 1028959658 /nfs/dbraw/zinc/95/96/58/1028959658.db2.gz OWBKSGCEXYNDHD-CRAIPNDOSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608977 1028961617 /nfs/dbraw/zinc/96/16/17/1028961617.db2.gz OWBKSGCEXYNDHD-MAUKXSAKSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608977 1028961627 /nfs/dbraw/zinc/96/16/27/1028961627.db2.gz OWBKSGCEXYNDHD-MAUKXSAKSA-N 0 3 310.441 3.604 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972319 1029311411 /nfs/dbraw/zinc/31/14/11/1029311411.db2.gz WBAAPGBMVPMASJ-TVYUQYBPSA-N 0 3 317.260 3.738 20 10 DHCDHN Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000817980808 1029315821 /nfs/dbraw/zinc/31/58/21/1029315821.db2.gz NUAMKLSWFWQDEU-XHDPSFHLSA-N 0 3 300.377 3.760 20 10 DHCDHN Cc1cccc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1O ZINC000822525613 1030044061 /nfs/dbraw/zinc/04/40/61/1030044061.db2.gz JXEMOYOJCFRCSV-IAGOWNOFSA-N 0 3 317.816 3.662 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c([O-])c1 ZINC000865832236 1030048014 /nfs/dbraw/zinc/04/80/14/1030048014.db2.gz MAFOLCKGENTCPI-ZIAGYGMSSA-N 0 3 315.335 3.778 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000866511650 1030338354 /nfs/dbraw/zinc/33/83/54/1030338354.db2.gz DWZWHCUOXIMNKG-AYBZRNKSSA-N 0 3 303.446 3.947 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c([O-])c1 ZINC000866531967 1030353173 /nfs/dbraw/zinc/35/31/73/1030353173.db2.gz SYWGYNDAYWWBMY-HZPDHXFCSA-N 0 3 303.446 3.866 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(Br)cn2)c1 ZINC000866568745 1030381522 /nfs/dbraw/zinc/38/15/22/1030381522.db2.gz CBAUDDBWPLRXPW-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn(C)c3ncccc23)c([O-])c1 ZINC000866574115 1030385252 /nfs/dbraw/zinc/38/52/52/1030385252.db2.gz RIQFLOBILPLDBB-OAHLLOKOSA-N 0 3 323.440 3.789 20 10 DHCDHN CCCN(CCC)c1ccc(CNC2(CF)CCOCC2)cc1 ZINC000824690982 1030614969 /nfs/dbraw/zinc/61/49/69/1030614969.db2.gz RJVKOJMICMZEDY-UHFFFAOYSA-N 0 3 322.468 3.921 20 10 DHCDHN COC[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000824758035 1030639136 /nfs/dbraw/zinc/63/91/36/1030639136.db2.gz FWYZNOHHAHRMRF-OAHLLOKOSA-N 0 3 305.805 3.565 20 10 DHCDHN CC[C@@H](NCc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1 ZINC000927099624 1031087405 /nfs/dbraw/zinc/08/74/05/1031087405.db2.gz QXJYHYLVEZETNK-GOSISDBHSA-N 0 3 312.461 3.604 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c([O-])c1 ZINC000872110911 1031503380 /nfs/dbraw/zinc/50/33/80/1031503380.db2.gz UDZIIHBNFUDFEW-VIFPVBQESA-N 0 3 313.266 3.523 20 10 DHCDHN CCCOc1ccc(CN[C@H](C)c2cn(C)nc2C)cc1C ZINC000873043420 1031697846 /nfs/dbraw/zinc/69/78/46/1031697846.db2.gz NXQIUOMTZWCGLJ-CQSZACIVSA-N 0 3 301.434 3.677 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1[O-] ZINC000846033841 1031825264 /nfs/dbraw/zinc/82/52/64/1031825264.db2.gz BNPYLQKFKRZMLF-ACJLOTCBSA-N 0 3 319.832 3.740 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC1(CO)CCC1 ZINC000846103242 1031876784 /nfs/dbraw/zinc/87/67/84/1031876784.db2.gz UVFAUBLKDQNLJJ-UHFFFAOYSA-N 0 3 311.425 3.702 20 10 DHCDHN COc1cccc([C@H](C)N[C@H]2COc3c2ccc(C)c3C)c1O ZINC000846150353 1031885472 /nfs/dbraw/zinc/88/54/72/1031885472.db2.gz ZMRAAGQKLMVDBK-BBRMVZONSA-N 0 3 313.397 3.802 20 10 DHCDHN COCC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161901 1031891521 /nfs/dbraw/zinc/89/15/21/1031891521.db2.gz HEVXSSFSPXBHRY-HIFRSBDPSA-N 0 3 319.401 3.731 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccc([C@H]3C[C@@H]3C)o2)c1O ZINC000846141738 1031904056 /nfs/dbraw/zinc/90/40/56/1031904056.db2.gz RZTHQVMUXOIAJL-HUBLWGQQSA-N 0 3 301.386 3.968 20 10 DHCDHN COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877487858 1033320421 /nfs/dbraw/zinc/32/04/21/1033320421.db2.gz CBQHOASPZXBBOJ-IBGZPJMESA-N 0 3 313.441 3.828 20 10 DHCDHN COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])c(C)c1OC ZINC000877533422 1033340346 /nfs/dbraw/zinc/34/03/46/1033340346.db2.gz QBEJOBLWKUVYRN-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cc(C2CC2)no1 ZINC000877591539 1033371782 /nfs/dbraw/zinc/37/17/82/1033371782.db2.gz FHROGOTYGFNWKZ-AWEZNQCLSA-N 0 3 313.445 3.647 20 10 DHCDHN COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1O ZINC000877755796 1033430968 /nfs/dbraw/zinc/43/09/68/1033430968.db2.gz NBEVRPCMBJNFAY-ZIAGYGMSSA-N 0 3 315.413 3.778 20 10 DHCDHN CCOP(=O)(CCC[NH2+][C@H](C)c1ccccc1[O-])OCC ZINC000877755831 1033431397 /nfs/dbraw/zinc/43/13/97/1033431397.db2.gz OCIAELDXUKZIBJ-CYBMUJFWSA-N 0 3 315.350 3.699 20 10 DHCDHN COc1cc(CN[C@@H](C)c2ccccc2O)c(Cl)cc1O ZINC000877758207 1033435338 /nfs/dbraw/zinc/43/53/38/1033435338.db2.gz MZSHSYJSDUIITJ-JTQLQIEISA-N 0 3 307.777 3.611 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1[O-] ZINC000877755986 1033435402 /nfs/dbraw/zinc/43/54/02/1033435402.db2.gz WRDYNORZRCTPGF-CQSZACIVSA-N 0 3 313.397 3.794 20 10 DHCDHN Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756862 1033435469 /nfs/dbraw/zinc/43/54/69/1033435469.db2.gz BHDMGZLYPPLGKY-CYBMUJFWSA-N 0 3 300.358 3.768 20 10 DHCDHN Cc1c(Br)cncc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758413 1033437805 /nfs/dbraw/zinc/43/78/05/1033437805.db2.gz ZCMFRUJIZYMLOS-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC001173219661 1033600466 /nfs/dbraw/zinc/60/04/66/1033600466.db2.gz OYXZHTIFEKZVAQ-CHWSQXEVSA-N 0 3 300.358 3.582 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)nc1 ZINC000179116396 1034284120 /nfs/dbraw/zinc/28/41/20/1034284120.db2.gz SFTQMBTZNHEKPY-CYBMUJFWSA-N 0 3 315.848 3.968 20 10 DHCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCCC2)o1 ZINC000183480006 1034390048 /nfs/dbraw/zinc/39/00/48/1034390048.db2.gz OEDIXOUXBJMODD-RDJZCZTQSA-N 0 3 314.429 3.781 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccccc1[O-] ZINC000183595993 1034401875 /nfs/dbraw/zinc/40/18/75/1034401875.db2.gz WXMGDOPYGAUTQA-LBPRGKRZSA-N 0 3 307.340 3.887 20 10 DHCDHN CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(C)cc1[O-] ZINC000794796575 1034468748 /nfs/dbraw/zinc/46/87/48/1034468748.db2.gz VIXPCBMQNRIPFW-QGZVFWFLSA-N 0 3 318.461 3.534 20 10 DHCDHN CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794800332 1034470190 /nfs/dbraw/zinc/47/01/90/1034470190.db2.gz CPYNWMFWGMVXDN-OAHLLOKOSA-N 0 3 307.434 3.863 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000794800560 1034470812 /nfs/dbraw/zinc/47/08/12/1034470812.db2.gz DBRUBLNEMPWHMS-QAPCUYQASA-N 0 3 324.424 3.547 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000184984327 1034519945 /nfs/dbraw/zinc/51/99/45/1034519945.db2.gz PUJSEVILVFAFJC-OAHLLOKOSA-N 0 3 311.429 3.547 20 10 DHCDHN CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccc(C)cc1[O-] ZINC000794812733 1034521055 /nfs/dbraw/zinc/52/10/55/1034521055.db2.gz FHUGWXIHZMRMQN-PKOBYXMFSA-N 0 3 313.441 3.653 20 10 DHCDHN Cc1noc(C)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185136368 1034530343 /nfs/dbraw/zinc/53/03/43/1034530343.db2.gz FFLVTWYOBUWKGA-NSHDSACASA-N 0 3 300.402 3.727 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000185468752 1034551307 /nfs/dbraw/zinc/55/13/07/1034551307.db2.gz HLSWHSGVORLDGQ-VFVRVIDISA-N 0 3 303.377 3.612 20 10 DHCDHN COc1ccccc1[C@H](C[NH2+]Cc1ccccc1[O-])OC(C)C ZINC000185722150 1034567285 /nfs/dbraw/zinc/56/72/85/1034567285.db2.gz MYRDVCCUOIGNCW-IBGZPJMESA-N 0 3 315.413 3.657 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1F ZINC001177651479 1035387720 /nfs/dbraw/zinc/38/77/20/1035387720.db2.gz YCVCLSONSUWUNM-QGZVFWFLSA-N 0 3 302.368 3.808 20 10 DHCDHN CC(C)P(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC001179691522 1035490418 /nfs/dbraw/zinc/49/04/18/1035490418.db2.gz SLBTWPPFOXUNTA-SOFGYWHQSA-N 0 3 323.373 3.526 20 10 DHCDHN Cc1cc(O)c(CN2CCC[C@H]2c2ccnn2C)cc1C(C)C ZINC000905739813 1035636508 /nfs/dbraw/zinc/63/65/08/1035636508.db2.gz JBFNPXLEXKFGRF-SFHVURJKSA-N 0 3 313.445 3.895 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001180524520 1035697610 /nfs/dbraw/zinc/69/76/10/1035697610.db2.gz YHFRYIXDJCMTEP-QGZVFWFLSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001180524520 1035697626 /nfs/dbraw/zinc/69/76/26/1035697626.db2.gz YHFRYIXDJCMTEP-QGZVFWFLSA-N 0 3 311.425 3.916 20 10 DHCDHN COc1ccc(N(C)CCN(C)Cc2csc(C)c2)cc1 ZINC001195790680 1036348136 /nfs/dbraw/zinc/34/81/36/1036348136.db2.gz VIJUWOQHKWQCRO-UHFFFAOYSA-N 0 3 304.459 3.633 20 10 DHCDHN COc1cccc([C@H]2CSCCN2Cc2ccccc2O)c1 ZINC001203561123 1036550689 /nfs/dbraw/zinc/55/06/89/1036550689.db2.gz LSRJESSQWUQXAB-QGZVFWFLSA-N 0 3 315.438 3.691 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001203562542 1036555999 /nfs/dbraw/zinc/55/59/99/1036555999.db2.gz JXYIRMFAYRDADJ-UHFFFAOYSA-N 0 3 307.397 3.579 20 10 DHCDHN CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000151653471 1036590813 /nfs/dbraw/zinc/59/08/13/1036590813.db2.gz QTHBWPBMVKTEEH-OAHLLOKOSA-N 0 3 322.449 3.565 20 10 DHCDHN CCC[N@H+](CCOC1CCSCC1)Cc1ccccc1[O-] ZINC000929752401 1036637756 /nfs/dbraw/zinc/63/77/56/1036637756.db2.gz ACUVLXPUCZLPDK-UHFFFAOYSA-N 0 3 309.475 3.516 20 10 DHCDHN CCC[N@@H+](CCOC1CCSCC1)Cc1ccccc1[O-] ZINC000929752401 1036637777 /nfs/dbraw/zinc/63/77/77/1036637777.db2.gz ACUVLXPUCZLPDK-UHFFFAOYSA-N 0 3 309.475 3.516 20 10 DHCDHN CCOc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000762462731 1036778024 /nfs/dbraw/zinc/77/80/24/1036778024.db2.gz XVJGIBUQXJXFIZ-UHFFFAOYSA-N 0 3 321.461 3.864 20 10 DHCDHN COc1cc(C)cc(CN(C)Cc2cccc(Cl)c2)c1O ZINC000915825721 1037239739 /nfs/dbraw/zinc/23/97/39/1037239739.db2.gz IUEULUCSEUCDJY-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN Cc1cc([O-])c(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199329352 1037243559 /nfs/dbraw/zinc/24/35/59/1037243559.db2.gz RBZRGRULQBZLRN-GJZGRUSLSA-N 0 3 324.896 3.812 20 10 DHCDHN C[C@H]1C[C@H](C)C[NH+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000776005982 1037303448 /nfs/dbraw/zinc/30/34/48/1037303448.db2.gz FRULDVLEYJOUQS-KBPBESRZSA-N 0 3 310.869 3.503 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000776224781 1037929105 /nfs/dbraw/zinc/92/91/05/1037929105.db2.gz VZMYREBSEFJSAX-BMFZPTHFSA-N 0 3 309.837 3.647 20 10 DHCDHN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775363145 1038272385 /nfs/dbraw/zinc/27/23/85/1038272385.db2.gz KQFSWEYPIXIXCG-CQSZACIVSA-N 0 3 300.450 3.555 20 10 DHCDHN CCOc1ccc(C[NH2+]CC2(CCOC)CCCCC2)c([O-])c1 ZINC000775375354 1038297912 /nfs/dbraw/zinc/29/79/12/1038297912.db2.gz QXKVOJROLVSZFB-UHFFFAOYSA-N 0 3 321.461 3.868 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(C)ccc2OC)c1 ZINC000775375151 1038302303 /nfs/dbraw/zinc/30/23/03/1038302303.db2.gz JBBMIEZLFFSEQC-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CC[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1[O-] ZINC000156834874 1038337156 /nfs/dbraw/zinc/33/71/56/1038337156.db2.gz MEGQZPIILDAFNM-MRXNPFEDSA-N 0 3 323.396 3.726 20 10 DHCDHN COc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1C ZINC000077589701 1038369597 /nfs/dbraw/zinc/36/95/97/1038369597.db2.gz FBERQHAHGZYGQU-UHFFFAOYSA-N 0 3 321.424 3.538 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000775487601 1038556108 /nfs/dbraw/zinc/55/61/08/1038556108.db2.gz LJWPFDPZYWEJJK-ROUUACIJSA-N 0 3 304.478 3.943 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775493283 1038569987 /nfs/dbraw/zinc/56/99/87/1038569987.db2.gz WXICDCCGKNTXIR-WBMJQRKESA-N 0 3 308.853 3.571 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1ccccc1[O-] ZINC000775496811 1038579853 /nfs/dbraw/zinc/57/98/53/1038579853.db2.gz LTRVJKFENWLLGP-YJBOKZPZSA-N 0 3 310.441 3.884 20 10 DHCDHN CC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000775511318 1038602282 /nfs/dbraw/zinc/60/22/82/1038602282.db2.gz DJXQDZROKZPOBP-GOSISDBHSA-N 0 3 316.420 3.704 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000775539263 1038680834 /nfs/dbraw/zinc/68/08/34/1038680834.db2.gz DKTODSMWZCOUBK-VOLNDZDFSA-N 0 3 319.445 3.755 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(F)ccc1F ZINC000170779213 1038958601 /nfs/dbraw/zinc/95/86/01/1038958601.db2.gz CSFWUOAQZMSFHY-SFHVURJKSA-N 0 3 321.367 3.616 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(F)ccc1F ZINC000170779213 1038958611 /nfs/dbraw/zinc/95/86/11/1038958611.db2.gz CSFWUOAQZMSFHY-SFHVURJKSA-N 0 3 321.367 3.616 20 10 DHCDHN C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cc(Cl)ccc1[O-] ZINC000760898834 1039040202 /nfs/dbraw/zinc/04/02/02/1039040202.db2.gz SUNQFSMXSWONLN-CYBMUJFWSA-N 0 3 310.869 3.818 20 10 DHCDHN CCOC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000060445493 1040650880 /nfs/dbraw/zinc/65/08/80/1040650880.db2.gz NOTCQTJYGQZSIG-UHFFFAOYSA-N 0 3 315.413 3.555 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000174593018 1040668595 /nfs/dbraw/zinc/66/85/95/1040668595.db2.gz UHEVSOKOTYTNSG-UHFFFAOYSA-N 0 3 300.789 3.859 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CCSc2ccccc2)c1[O-] ZINC000228669889 1041045697 /nfs/dbraw/zinc/04/56/97/1041045697.db2.gz MCCQNNZFFJBIFO-UHFFFAOYSA-N 0 3 323.845 3.936 20 10 DHCDHN CCN(CCC[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000228792594 1041178729 /nfs/dbraw/zinc/17/87/29/1041178729.db2.gz KTGLHLAQGUGKHT-CQSZACIVSA-N 0 3 322.449 3.690 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000272843577 130068622 /nfs/dbraw/zinc/06/86/22/130068622.db2.gz JWUKIAOHLVSULU-BMIGLBTASA-N 0 3 309.768 3.569 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c([O-])c1 ZINC000273365940 130112481 /nfs/dbraw/zinc/11/24/81/130112481.db2.gz FCBVAXDDTKPGDU-CJNGLKHVSA-N 0 3 304.459 3.716 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c([O-])c1C ZINC000273379312 130113677 /nfs/dbraw/zinc/11/36/77/130113677.db2.gz HVVUEUXVZMCYAL-CQSZACIVSA-N 0 3 313.397 3.631 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273386950 130116387 /nfs/dbraw/zinc/11/63/87/130116387.db2.gz JSGHDPPJZQFBAB-GUYCJALGSA-N 0 3 303.377 3.532 20 10 DHCDHN COc1cccc(C2([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000273481143 130125928 /nfs/dbraw/zinc/12/59/28/130125928.db2.gz LXKFWFDZKXZOPH-LBPRGKRZSA-N 0 3 301.361 3.880 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273491839 130127423 /nfs/dbraw/zinc/12/74/23/130127423.db2.gz NKXPKYACSRHRPX-PKOBYXMFSA-N 0 3 315.388 3.883 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273491839 130127425 /nfs/dbraw/zinc/12/74/25/130127425.db2.gz NKXPKYACSRHRPX-PKOBYXMFSA-N 0 3 315.388 3.883 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(F)ccc1[O-] ZINC000273507092 130130744 /nfs/dbraw/zinc/13/07/44/130130744.db2.gz RDICXUDTOXUMJB-GFCCVEGCSA-N 0 3 317.360 3.543 20 10 DHCDHN Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273517082 130131028 /nfs/dbraw/zinc/13/10/28/130131028.db2.gz RZIHQJKAVYOKJR-QZTJIDSGSA-N 0 3 315.388 3.850 20 10 DHCDHN CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000274737724 130257746 /nfs/dbraw/zinc/25/77/46/130257746.db2.gz DOAWMPWWTZXFHN-MRXNPFEDSA-N 0 3 300.358 3.584 20 10 DHCDHN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000285651075 131190109 /nfs/dbraw/zinc/19/01/09/131190109.db2.gz YLWSJGHCVTUNBK-CRAIPNDOSA-N 0 3 311.425 3.821 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1OCCc2sccc21 ZINC000297348241 132011452 /nfs/dbraw/zinc/01/14/52/132011452.db2.gz OXESGWDSUSCXPA-UCMVZMLTSA-N 0 3 315.438 3.733 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(Br)cc1)CC2 ZINC000297872450 132038374 /nfs/dbraw/zinc/03/83/74/132038374.db2.gz UQODAKBNLSQTOD-AWEZNQCLSA-N 0 3 318.214 3.932 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000297941662 132041546 /nfs/dbraw/zinc/04/15/46/132041546.db2.gz YCMJCCKYPSBGJS-KPFFTGBYSA-N 0 3 309.409 3.889 20 10 DHCDHN CC(C)n1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000122954508 332416312 /nfs/dbraw/zinc/41/63/12/332416312.db2.gz DSFICAQRMBQXKE-HNNXBMFYSA-N 0 3 312.461 3.697 20 10 DHCDHN C[C@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294028546 335116984 /nfs/dbraw/zinc/11/69/84/335116984.db2.gz FJPYDCPZODDGFH-LPHOPBHVSA-N 0 3 313.441 3.817 20 10 DHCDHN COc1ccc([C@H](C)NCc2cccc(C)c2O)c(OC)c1 ZINC000378964055 333068402 /nfs/dbraw/zinc/06/84/02/333068402.db2.gz SMAZYSWTIOLTSG-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN CCCOc1ccc(CN[C@@H](C)c2cc(C)ccc2O)cn1 ZINC000185397777 333208224 /nfs/dbraw/zinc/20/82/24/333208224.db2.gz HIPIMKGOAZHPLC-AWEZNQCLSA-N 0 3 300.402 3.735 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cn1 ZINC000185397777 333208225 /nfs/dbraw/zinc/20/82/25/333208225.db2.gz HIPIMKGOAZHPLC-AWEZNQCLSA-N 0 3 300.402 3.735 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000296004979 335139679 /nfs/dbraw/zinc/13/96/79/335139679.db2.gz MAYBLWUSKRNUCZ-MRXNPFEDSA-N 0 3 305.443 3.612 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464520 334047438 /nfs/dbraw/zinc/04/74/38/334047438.db2.gz IEUWGZNNKYQRIC-AEFFLSMTSA-N 0 3 301.361 3.541 20 10 DHCDHN CN(C)c1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000292804191 334192599 /nfs/dbraw/zinc/19/25/99/334192599.db2.gz RQHZKXRZDLZMDH-HXUWFJFHSA-N 0 3 324.468 3.746 20 10 DHCDHN CC[C@@H](NCc1nc(C)n2c1CCCC2)c1ccc(C)cc1O ZINC000366881347 335279937 /nfs/dbraw/zinc/27/99/37/335279937.db2.gz RLLJRHOOUSDDAX-MRXNPFEDSA-N 0 3 313.445 3.783 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000192915830 336284435 /nfs/dbraw/zinc/28/44/35/336284435.db2.gz XIRCCXZTWIGWEO-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CN(C)c1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000374496020 336990536 /nfs/dbraw/zinc/99/05/36/336990536.db2.gz KPGFYZWKIDENPQ-AZUAARDMSA-N 0 3 310.441 3.620 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c([O-])c1C ZINC000376896729 337043446 /nfs/dbraw/zinc/04/34/46/337043446.db2.gz OZFGDCHRZDKPPU-WMLDXEAASA-N 0 3 324.424 3.786 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000377694277 337058781 /nfs/dbraw/zinc/05/87/81/337058781.db2.gz IFDVXLDHLNSBMU-LORHWOILSA-N 0 3 319.445 3.502 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000377694277 337058782 /nfs/dbraw/zinc/05/87/82/337058782.db2.gz IFDVXLDHLNSBMU-LORHWOILSA-N 0 3 319.445 3.502 20 10 DHCDHN CCOc1ccc([O-])c(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000378036973 337065487 /nfs/dbraw/zinc/06/54/87/337065487.db2.gz FMVGTUKDMJJFDO-UHFFFAOYSA-N 0 3 319.445 3.620 20 10 DHCDHN Cc1ccn(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000378214177 337068339 /nfs/dbraw/zinc/06/83/39/337068339.db2.gz ZZLPZWQZFFICPJ-UHFFFAOYSA-N 0 3 321.424 3.887 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189469223 337279320 /nfs/dbraw/zinc/27/93/20/337279320.db2.gz KTMLZRWFHAABMU-GUYCJALGSA-N 0 3 313.397 3.884 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cc(F)ccc1[O-] ZINC000248483330 337565555 /nfs/dbraw/zinc/56/55/55/337565555.db2.gz COWDWXFAVRMJOW-VBNZEHGJSA-N 0 3 303.381 3.562 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCCC(=O)Nc1ccccc1 ZINC000572149339 337592387 /nfs/dbraw/zinc/59/23/87/337592387.db2.gz ADQNPMXUMWMTLJ-UHFFFAOYSA-N 0 3 321.424 3.605 20 10 DHCDHN COc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)c([O-])c1 ZINC000529557304 340763043 /nfs/dbraw/zinc/76/30/43/340763043.db2.gz MCNCCCIBHNFXPV-INIZCTEOSA-N 0 3 321.779 3.970 20 10 DHCDHN CCCOc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c([O-])c1 ZINC000188269019 520347530 /nfs/dbraw/zinc/34/75/30/520347530.db2.gz MNCMWGOTXOOCBF-LJQANCHMSA-N 0 3 319.445 3.572 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H](CC)c2ccccc2[O-])cn1 ZINC000155748340 520375608 /nfs/dbraw/zinc/37/56/08/520375608.db2.gz XOEQTOLMWSXPIV-MRXNPFEDSA-N 0 3 300.402 3.817 20 10 DHCDHN COc1cc(O)c(CN2CCC[C@H]2c2ccsc2)cc1OC ZINC000159840994 522771552 /nfs/dbraw/zinc/77/15/52/522771552.db2.gz MQZDMPUEMJFHBL-AWEZNQCLSA-N 0 3 319.426 3.808 20 10 DHCDHN COc1cc(O)c(CN(C)[C@H](C)c2cccs2)cc1OC ZINC000159874946 522773594 /nfs/dbraw/zinc/77/35/94/522773594.db2.gz UGPPFWLXQYWFJR-LLVKDONJSA-N 0 3 307.415 3.664 20 10 DHCDHN COc1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)c([O-])c1 ZINC000365061929 524069278 /nfs/dbraw/zinc/06/92/78/524069278.db2.gz KLPWNFMDPYSLQA-UHFFFAOYSA-N 0 3 301.361 3.576 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c([O-])c1 ZINC000363821759 524073136 /nfs/dbraw/zinc/07/31/36/524073136.db2.gz GKYQSLPRYGXUBF-UHFFFAOYSA-N 0 3 320.392 3.753 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1 ZINC000182153905 524748877 /nfs/dbraw/zinc/74/88/77/524748877.db2.gz PDZPAWFEPDUHHS-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC000192837689 524767331 /nfs/dbraw/zinc/76/73/31/524767331.db2.gz KYQMAFKEMAHFKX-UONOGXRCSA-N 0 3 315.413 3.778 20 10 DHCDHN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccccc1[O-] ZINC000157591754 525401311 /nfs/dbraw/zinc/40/13/11/525401311.db2.gz ZMUDOIZLLBGOSK-YVEFUNNKSA-N 0 3 305.805 3.604 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)c([O-])c1 ZINC000185840201 525934296 /nfs/dbraw/zinc/93/42/96/525934296.db2.gz SHGSMHZEXFNHBK-XEZPLFJOSA-N 0 3 305.443 3.925 20 10 DHCDHN Cc1ccc([C@H](C[NH2+]Cc2cccc(C)c2[O-])N2CCCC2)o1 ZINC000181068405 525959386 /nfs/dbraw/zinc/95/93/86/525959386.db2.gz RVOWPAOCWNKAKW-KRWDZBQOSA-N 0 3 314.429 3.529 20 10 DHCDHN Oc1cc2c(cc1CNC1(c3cccc(Cl)c3)CC1)OCO2 ZINC000124426567 526336447 /nfs/dbraw/zinc/33/64/47/526336447.db2.gz MNPKZDRPQGYKDR-UHFFFAOYSA-N 0 3 317.772 3.553 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000179893717 526350003 /nfs/dbraw/zinc/35/00/03/526350003.db2.gz KTLLWFLHVRUKHE-UHFFFAOYSA-N 0 3 315.388 3.713 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000286013419 535894645 /nfs/dbraw/zinc/89/46/45/535894645.db2.gz JHQYSQZGNQNCCK-SFHVURJKSA-N 0 3 320.452 3.979 20 10 DHCDHN COCC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421318 536807926 /nfs/dbraw/zinc/80/79/26/536807926.db2.gz JIWYFCCHXKOVAE-XJKSGUPXSA-N 0 3 319.401 3.731 20 10 DHCDHN COCC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000273401100 536808655 /nfs/dbraw/zinc/80/86/55/536808655.db2.gz GLJCRPJKBMZWHM-SWLSCSKDSA-N 0 3 307.365 3.861 20 10 DHCDHN COCC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000273401096 536818414 /nfs/dbraw/zinc/81/84/14/536818414.db2.gz GLJCRPJKBMZWHM-DOMZBBRYSA-N 0 3 307.365 3.861 20 10 DHCDHN COc1ncc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000284120106 537141727 /nfs/dbraw/zinc/14/17/27/537141727.db2.gz CNYYKCKLVIWDJU-GFCCVEGCSA-N 0 3 319.836 3.660 20 10 DHCDHN COc1cc(C)cc(CN[C@@H](C)c2cccc(F)c2F)c1O ZINC000894360073 1013105172 /nfs/dbraw/zinc/10/51/72/1013105172.db2.gz UZICHWBKJYCLCV-NSHDSACASA-N 0 3 307.340 3.838 20 10 DHCDHN COc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1C ZINC000028925023 1013768976 /nfs/dbraw/zinc/76/89/76/1013768976.db2.gz VAQCCBFIHZSGGG-AWEZNQCLSA-N 0 3 312.413 3.813 20 10 DHCDHN COc1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c([O-])c1OC ZINC000895126145 1014485191 /nfs/dbraw/zinc/48/51/91/1014485191.db2.gz VOUGFADGCSCYBW-OAHLLOKOSA-N 0 3 305.418 3.564 20 10 DHCDHN COc1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c([O-])c1OC ZINC000895126145 1014485197 /nfs/dbraw/zinc/48/51/97/1014485197.db2.gz VOUGFADGCSCYBW-OAHLLOKOSA-N 0 3 305.418 3.564 20 10 DHCDHN COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)c(O)c1OC ZINC000891499142 1015327675 /nfs/dbraw/zinc/32/76/75/1015327675.db2.gz NGGOVKXBDYKTGI-ZDUSSCGKSA-N 0 3 313.397 3.529 20 10 DHCDHN COc1ccc(CN(Cc2cccs2)C2CC2)c(O)c1OC ZINC000891600097 1015441775 /nfs/dbraw/zinc/44/17/75/1015441775.db2.gz QMVHOMAWFZJUAP-UHFFFAOYSA-N 0 3 319.426 3.636 20 10 DHCDHN COc1cc(Cl)cc(CN[C@@H](c2ccccn2)C2CC2)c1O ZINC000896611555 1015672287 /nfs/dbraw/zinc/67/22/87/1015672287.db2.gz BQCCUPWQFREXSV-MRXNPFEDSA-N 0 3 318.804 3.690 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1[O-] ZINC000896611555 1015672290 /nfs/dbraw/zinc/67/22/90/1015672290.db2.gz BQCCUPWQFREXSV-MRXNPFEDSA-N 0 3 318.804 3.690 20 10 DHCDHN COc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c(O)c1OC ZINC000892195325 1016396914 /nfs/dbraw/zinc/39/69/14/1016396914.db2.gz PQBLHSHROFIZLJ-CXAGYDPISA-N 0 3 313.397 3.602 20 10 DHCDHN C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000840775491 1016954558 /nfs/dbraw/zinc/95/45/58/1016954558.db2.gz PWWPZTORNKUMPF-KGLIPLIRSA-N 0 3 302.393 3.988 20 10 DHCDHN COc1cc(Cl)cc(CN[C@@H]2CCCc3cccnc32)c1O ZINC000897071961 1017033416 /nfs/dbraw/zinc/03/34/16/1017033416.db2.gz QCYPBZBVRDUFJX-CQSZACIVSA-N 0 3 318.804 3.616 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3cccnc32)c1[O-] ZINC000897071961 1017033426 /nfs/dbraw/zinc/03/34/26/1017033426.db2.gz QCYPBZBVRDUFJX-CQSZACIVSA-N 0 3 318.804 3.616 20 10 DHCDHN COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000192790209 1017057954 /nfs/dbraw/zinc/05/79/54/1017057954.db2.gz VRGYJTJUVVJVSJ-STQMWFEESA-N 0 3 301.386 3.821 20 10 DHCDHN C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1cc(F)ccc1[O-] ZINC000185647239 1017080557 /nfs/dbraw/zinc/08/05/57/1017080557.db2.gz YJZPWJJAYKGCHE-SNVBAGLBSA-N 0 3 311.303 3.539 20 10 DHCDHN COc1cc(CNCc2c(C)c3ccccc3n2C)cc(OC)c1 ZINC000475201134 1017080821 /nfs/dbraw/zinc/08/08/21/1017080821.db2.gz DJPRUBBPBRHRIP-UHFFFAOYSA-N 0 3 324.424 3.794 20 10 DHCDHN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773052200 1032542155 /nfs/dbraw/zinc/54/21/55/1032542155.db2.gz WZIYGHHGYXCXPS-BBRMVZONSA-N 0 3 304.459 3.507 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000192916775 1017225155 /nfs/dbraw/zinc/22/51/55/1017225155.db2.gz SMFBEPYVSHJOBD-WBVHZDCISA-N 0 3 314.429 3.781 20 10 DHCDHN CCc1cccc2cc(C[NH2+]Cc3ccc(OC)cc3[O-])oc21 ZINC000825753048 1032755596 /nfs/dbraw/zinc/75/55/96/1032755596.db2.gz MKOIIRMALMAXLH-UHFFFAOYSA-N 0 3 311.381 3.999 20 10 DHCDHN CC[N@H+](Cc1ccccn1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000176796777 1018698520 /nfs/dbraw/zinc/69/85/20/1018698520.db2.gz LMTVJLGPXCJDHP-UHFFFAOYSA-N 0 3 322.408 3.971 20 10 DHCDHN CC[N@@H+](Cc1ccccn1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000176796777 1018698527 /nfs/dbraw/zinc/69/85/27/1018698527.db2.gz LMTVJLGPXCJDHP-UHFFFAOYSA-N 0 3 322.408 3.971 20 10 DHCDHN COc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000317978642 1018803143 /nfs/dbraw/zinc/80/31/43/1018803143.db2.gz CSQDQZMMJBOCGT-UHFFFAOYSA-N 0 3 300.358 3.510 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@]2(C)CCOc3ccccc32)c1 ZINC000923026216 1018990315 /nfs/dbraw/zinc/99/03/15/1018990315.db2.gz SGJBPTUUHGTKAE-IBGZPJMESA-N 0 3 313.397 3.578 20 10 DHCDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000765607882 1018999186 /nfs/dbraw/zinc/99/91/86/1018999186.db2.gz FALFHGFIIDCWRF-SFHVURJKSA-N 0 3 309.409 3.933 20 10 DHCDHN Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000765610532 1019001366 /nfs/dbraw/zinc/00/13/66/1019001366.db2.gz VUZPAPCIMRHLJW-SFHVURJKSA-N 0 3 309.409 3.933 20 10 DHCDHN Cc1nc2c(s1)[C@H](NCc1ccc3c(c1)CCCO3)CCC2 ZINC000921981902 1019257234 /nfs/dbraw/zinc/25/72/34/1019257234.db2.gz WXPOXDHOALREBL-OAHLLOKOSA-N 0 3 314.454 3.944 20 10 DHCDHN c1cnc2ccc(CNCc3ccc4c(c3)CCCO4)cc2c1 ZINC000922078365 1019409385 /nfs/dbraw/zinc/40/93/85/1019409385.db2.gz YJCTUBPSZQOVTQ-UHFFFAOYSA-N 0 3 304.393 3.850 20 10 DHCDHN CCOc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)c([O-])c1 ZINC000728592994 1019727315 /nfs/dbraw/zinc/72/73/15/1019727315.db2.gz IAAKEDJBLOJBFU-UHFFFAOYSA-N 0 3 303.377 3.955 20 10 DHCDHN CC[C@H]1CCC[N@@H+]1Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000727824177 1019824227 /nfs/dbraw/zinc/82/42/27/1019824227.db2.gz NWCZPDBVBHBZOQ-AWEZNQCLSA-N 0 3 313.397 3.706 20 10 DHCDHN CC[C@H]1CCC[N@H+]1Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000727824177 1019824236 /nfs/dbraw/zinc/82/42/36/1019824236.db2.gz NWCZPDBVBHBZOQ-AWEZNQCLSA-N 0 3 313.397 3.706 20 10 DHCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000309653239 1019936290 /nfs/dbraw/zinc/93/62/90/1019936290.db2.gz ARRASAZXKXHNLJ-HUUCEWRRSA-N 0 3 316.420 3.702 20 10 DHCDHN CCOc1ccc(CNCc2ccc(N(C)C)cc2C)cc1F ZINC000785468677 1019982762 /nfs/dbraw/zinc/98/27/62/1019982762.db2.gz MIHGBXBEQZQEPK-UHFFFAOYSA-N 0 3 316.420 3.889 20 10 DHCDHN Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cnn1C ZINC001117503428 1020180064 /nfs/dbraw/zinc/18/00/64/1020180064.db2.gz GYRJRBBMDZXBPT-QWRGUYRKSA-N 0 3 307.825 3.808 20 10 DHCDHN COc1ccc(CNC(C)(C)/C=C\Cl)cc1Cn1cccn1 ZINC000922645608 1020186388 /nfs/dbraw/zinc/18/63/88/1020186388.db2.gz SNWYNIRZWLJVTE-FPLPWBNLSA-N 0 3 319.836 3.561 20 10 DHCDHN CCOc1ccc(C[NH2+]CCc2cnc3ccccc3c2)c([O-])c1 ZINC000922703704 1020223293 /nfs/dbraw/zinc/22/32/93/1020223293.db2.gz KMUXVWZBTNIRGF-UHFFFAOYSA-N 0 3 322.408 3.671 20 10 DHCDHN C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000733325213 1020371414 /nfs/dbraw/zinc/37/14/14/1020371414.db2.gz FBAZKUDDOHLFPV-OKILXGFUSA-N 0 3 324.896 3.892 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccccc1[O-] ZINC000858442588 1032896332 /nfs/dbraw/zinc/89/63/32/1032896332.db2.gz KAPUWAICOWTUJT-HKUYNNGSSA-N 0 3 315.413 3.829 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000766044223 1020580793 /nfs/dbraw/zinc/58/07/93/1020580793.db2.gz OAVZHBLECBDQRM-IFXJQAMLSA-N 0 3 324.472 3.969 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCOC(C)(C)C3)c2c1 ZINC000735298411 1020714996 /nfs/dbraw/zinc/71/49/96/1020714996.db2.gz RSYBZWGOYMKEBN-UHFFFAOYSA-N 0 3 315.413 3.555 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCOC(C)(C)C3)c2c1 ZINC000735298411 1020715014 /nfs/dbraw/zinc/71/50/14/1020715014.db2.gz RSYBZWGOYMKEBN-UHFFFAOYSA-N 0 3 315.413 3.555 20 10 DHCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cc(O)cc(F)c1 ZINC000924648006 1032949375 /nfs/dbraw/zinc/94/93/75/1032949375.db2.gz KDZRLRARJBAQKF-AWEZNQCLSA-N 0 3 314.404 3.982 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](OC)c1ccc(Cl)cc1 ZINC000742376857 1021114538 /nfs/dbraw/zinc/11/45/38/1021114538.db2.gz AXHLMOLKKYKLGR-KRWDZBQOSA-N 0 3 321.804 3.532 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000176983016 1021189752 /nfs/dbraw/zinc/18/97/52/1021189752.db2.gz MYAPXJUSTPVWOF-QWRGUYRKSA-N 0 3 303.333 3.672 20 10 DHCDHN CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000176981915 1021189918 /nfs/dbraw/zinc/18/99/18/1021189918.db2.gz QTCNMUARIWDPHM-RYUDHWBXSA-N 0 3 316.376 3.902 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000850386179 1021503690 /nfs/dbraw/zinc/50/36/90/1021503690.db2.gz GTWBNGOPFWCOCH-UHFFFAOYSA-N 0 3 323.436 3.700 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850388993 1021505384 /nfs/dbraw/zinc/50/53/84/1021505384.db2.gz RIZHLENTKYUKPB-INIZCTEOSA-N 0 3 311.425 3.557 20 10 DHCDHN CC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850529814 1021582313 /nfs/dbraw/zinc/58/23/13/1021582313.db2.gz UBKJDGIWLGWYQO-ZCNNSNEGSA-N 0 3 310.441 3.972 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccccc1[O-] ZINC000850537847 1021592992 /nfs/dbraw/zinc/59/29/92/1021592992.db2.gz AHIINZNXBPAPJM-QAPCUYQASA-N 0 3 302.462 3.840 20 10 DHCDHN C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538908 1021594175 /nfs/dbraw/zinc/59/41/75/1021594175.db2.gz ODTRKGKTKIDVHE-GXTWGEPZSA-N 0 3 324.415 3.728 20 10 DHCDHN C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850538908 1021594179 /nfs/dbraw/zinc/59/41/79/1021594179.db2.gz ODTRKGKTKIDVHE-GXTWGEPZSA-N 0 3 324.415 3.728 20 10 DHCDHN COc1cc(CN(Cc2ccccc2O)C2CCCC2)sn1 ZINC000851772122 1021994219 /nfs/dbraw/zinc/99/42/19/1021994219.db2.gz XRDNQSIXRIXRSQ-UHFFFAOYSA-N 0 3 318.442 3.802 20 10 DHCDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)sn1 ZINC000851772122 1021994229 /nfs/dbraw/zinc/99/42/29/1021994229.db2.gz XRDNQSIXRIXRSQ-UHFFFAOYSA-N 0 3 318.442 3.802 20 10 DHCDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)sn1 ZINC000851772122 1021994237 /nfs/dbraw/zinc/99/42/37/1021994237.db2.gz XRDNQSIXRIXRSQ-UHFFFAOYSA-N 0 3 318.442 3.802 20 10 DHCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C ZINC000920304932 1022100781 /nfs/dbraw/zinc/10/07/81/1022100781.db2.gz GOTLLNRFUYFUDG-OXQOHEQNSA-N 0 3 311.425 3.971 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000183451583 1022147435 /nfs/dbraw/zinc/14/74/35/1022147435.db2.gz CBZWRGQPCPIKPL-CABCVRRESA-N 0 3 324.424 3.931 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000853239124 1022240035 /nfs/dbraw/zinc/24/00/35/1022240035.db2.gz AKDOHSUEZDQAOY-HIFRSBDPSA-N 0 3 322.880 3.818 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOCCF ZINC000853238773 1022240415 /nfs/dbraw/zinc/24/04/15/1022240415.db2.gz QIIDGIGDNVORCN-SFHVURJKSA-N 0 3 317.404 3.642 20 10 DHCDHN C[C@@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853241383 1022241867 /nfs/dbraw/zinc/24/18/67/1022241867.db2.gz LSTVMINRQYRXDJ-RHSMWYFYSA-N 0 3 319.408 3.916 20 10 DHCDHN Cc1ccc([C@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000363852132 1022337701 /nfs/dbraw/zinc/33/77/01/1022337701.db2.gz JIPIOCXGEAONSD-MGPUTAFESA-N 0 3 321.424 3.874 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccccc1[O-] ZINC000309647227 1022353460 /nfs/dbraw/zinc/35/34/60/1022353460.db2.gz DDHQLKZRCXHFQF-FRQCXROJSA-N 0 3 310.441 3.706 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]CCSC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756441068 1022375094 /nfs/dbraw/zinc/37/50/94/1022375094.db2.gz HIHVGRLLPOUOKG-VXNVDRBHSA-N 0 3 309.328 3.922 20 10 DHCDHN COc1c(C)cnc(CN(C)Cc2cc(C)c(C)cc2O)c1C ZINC000183780987 1022382667 /nfs/dbraw/zinc/38/26/67/1022382667.db2.gz UZMNCKAMJNDESX-UHFFFAOYSA-N 0 3 314.429 3.661 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000179568265 1022472541 /nfs/dbraw/zinc/47/25/41/1022472541.db2.gz NAOGQGXKGFMHPG-INIZCTEOSA-N 0 3 311.381 3.501 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000179568265 1022472550 /nfs/dbraw/zinc/47/25/50/1022472550.db2.gz NAOGQGXKGFMHPG-INIZCTEOSA-N 0 3 311.381 3.501 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](F)CC2)cc1Br ZINC001237677328 1022514218 /nfs/dbraw/zinc/51/42/18/1022514218.db2.gz LSBQNMRLJROOKE-LBPRGKRZSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](F)CC2)cc1Br ZINC001237677328 1022514225 /nfs/dbraw/zinc/51/42/25/1022514225.db2.gz LSBQNMRLJROOKE-LBPRGKRZSA-N 0 3 316.214 3.787 20 10 DHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001169753952 1022531228 /nfs/dbraw/zinc/53/12/28/1022531228.db2.gz DZEPVAMZFZZSPS-IEZWGBDMSA-N 0 3 303.446 3.952 20 10 DHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001169753952 1022531232 /nfs/dbraw/zinc/53/12/32/1022531232.db2.gz DZEPVAMZFZZSPS-IEZWGBDMSA-N 0 3 303.446 3.952 20 10 DHCDHN [O-]c1ccccc1C[N@H+](CCC[C@H]1CCO1)Cc1ccco1 ZINC000876511080 1033080465 /nfs/dbraw/zinc/08/04/65/1033080465.db2.gz VUZGNPRYKKKFSC-INIZCTEOSA-N 0 3 301.386 3.557 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](CCC[C@H]1CCO1)Cc1ccco1 ZINC000876511080 1033080471 /nfs/dbraw/zinc/08/04/71/1033080471.db2.gz VUZGNPRYKKKFSC-INIZCTEOSA-N 0 3 301.386 3.557 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000188662819 1022794424 /nfs/dbraw/zinc/79/44/24/1022794424.db2.gz RSWNMXTXJSWJPE-CQSZACIVSA-N 0 3 313.294 3.967 20 10 DHCDHN C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccco1 ZINC000742375705 1022824747 /nfs/dbraw/zinc/82/47/47/1022824747.db2.gz RXTFOJCREOLDEM-FQEVSTJZSA-N 0 3 323.392 3.650 20 10 DHCDHN Cc1noc([C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000068962491 1022830702 /nfs/dbraw/zinc/83/07/02/1022830702.db2.gz USUAREDCKOHUQX-OAHLLOKOSA-N 0 3 323.396 3.616 20 10 DHCDHN Cc1noc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000068962491 1022830716 /nfs/dbraw/zinc/83/07/16/1022830716.db2.gz USUAREDCKOHUQX-OAHLLOKOSA-N 0 3 323.396 3.616 20 10 DHCDHN Cc1ncsc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000768358495 1022952115 /nfs/dbraw/zinc/95/21/15/1022952115.db2.gz XNYUOPURNZSJQL-UHFFFAOYSA-N 0 3 303.475 3.928 20 10 DHCDHN CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCOC1 ZINC000768520652 1022978737 /nfs/dbraw/zinc/97/87/37/1022978737.db2.gz GXKVBLMFNZCMAL-MRXNPFEDSA-N 0 3 311.425 3.918 20 10 DHCDHN CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCOC1 ZINC000768520652 1022978745 /nfs/dbraw/zinc/97/87/45/1022978745.db2.gz GXKVBLMFNZCMAL-MRXNPFEDSA-N 0 3 311.425 3.918 20 10 DHCDHN CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295999108 1023000157 /nfs/dbraw/zinc/00/01/57/1023000157.db2.gz ODMZARVBORXSDX-YVEFUNNKSA-N 0 3 310.397 3.689 20 10 DHCDHN CCN(Cc1c(O)cccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000768872171 1023042809 /nfs/dbraw/zinc/04/28/09/1023042809.db2.gz FBAOJPFMGUBSIY-ZDUSSCGKSA-N 0 3 301.386 3.690 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])Cc1ccccc1O ZINC000769201466 1023101343 /nfs/dbraw/zinc/10/13/43/1023101343.db2.gz UWGBNGQTYLJSSA-UHFFFAOYSA-N 0 3 315.413 3.909 20 10 DHCDHN CCC[N@H+](Cc1ccc(OCC)cc1[O-])Cc1ccccc1O ZINC000769201466 1023101350 /nfs/dbraw/zinc/10/13/50/1023101350.db2.gz UWGBNGQTYLJSSA-UHFFFAOYSA-N 0 3 315.413 3.909 20 10 DHCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000769229520 1023104222 /nfs/dbraw/zinc/10/42/22/1023104222.db2.gz MJGMWNKYOQYQPR-GOSISDBHSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000769229520 1023104227 /nfs/dbraw/zinc/10/42/27/1023104227.db2.gz MJGMWNKYOQYQPR-GOSISDBHSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000769426835 1023147265 /nfs/dbraw/zinc/14/72/65/1023147265.db2.gz IRIDDLBLPBBZOC-GOSISDBHSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000769426835 1023147270 /nfs/dbraw/zinc/14/72/70/1023147270.db2.gz IRIDDLBLPBBZOC-GOSISDBHSA-N 0 3 315.438 3.691 20 10 DHCDHN Cc1ccc(O)c(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769476209 1023164743 /nfs/dbraw/zinc/16/47/43/1023164743.db2.gz XGPFVDWQJAFVCE-UZLBHIALSA-N 0 3 311.425 3.971 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c([O-])c1 ZINC000756609906 1023179086 /nfs/dbraw/zinc/17/90/86/1023179086.db2.gz PAJINJOBJOXKGK-UONOGXRCSA-N 0 3 303.377 3.958 20 10 DHCDHN COc1ccccc1CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770510109 1023316369 /nfs/dbraw/zinc/31/63/69/1023316369.db2.gz JMYBMTAXPNGGEB-UHFFFAOYSA-N 0 3 311.425 3.856 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000771384030 1023424527 /nfs/dbraw/zinc/42/45/27/1023424527.db2.gz NFXQSZGPTDGVDX-ZDUSSCGKSA-N 0 3 301.409 3.754 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@@H]3CCCCO3)c2c1 ZINC000125323223 1023476661 /nfs/dbraw/zinc/47/66/61/1023476661.db2.gz AWONDXOFYZQCAV-INIZCTEOSA-N 0 3 315.413 3.555 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@@H]3CCCCO3)c2c1 ZINC000125323223 1023476665 /nfs/dbraw/zinc/47/66/65/1023476665.db2.gz AWONDXOFYZQCAV-INIZCTEOSA-N 0 3 315.413 3.555 20 10 DHCDHN CN1CCCc2cc(CN[C@@H]3CCCc4c(O)cccc43)ccc21 ZINC000788582296 1023908651 /nfs/dbraw/zinc/90/86/51/1023908651.db2.gz GBTYZTHUVQFOCU-LJQANCHMSA-N 0 3 322.452 3.942 20 10 DHCDHN Cc1cc(C)c([C@@H](C)NCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000788646830 1023914253 /nfs/dbraw/zinc/91/42/53/1023914253.db2.gz DLDORNGFABJIKT-CYBMUJFWSA-N 0 3 300.358 3.768 20 10 DHCDHN CCc1cccc(Cl)c1CNCc1cc(OC)ccc1O ZINC000788962854 1023953867 /nfs/dbraw/zinc/95/38/67/1023953867.db2.gz KALDHTRPETZETK-UHFFFAOYSA-N 0 3 305.805 3.906 20 10 DHCDHN CCN(Cc1sc(C)nc1C)Cc1ccc(N(C)C)cc1 ZINC000130204897 1024143694 /nfs/dbraw/zinc/14/36/94/1024143694.db2.gz YNLUDFRWTDIIPY-UHFFFAOYSA-N 0 3 303.475 3.848 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000876967729 1033195372 /nfs/dbraw/zinc/19/53/72/1033195372.db2.gz KECJFSUQGAIGKI-PXNSSMCTSA-N 0 3 311.425 3.958 20 10 DHCDHN CN1CCCc2cc(CNCc3cccc(Cl)c3N)ccc21 ZINC000876986846 1033197700 /nfs/dbraw/zinc/19/77/00/1033197700.db2.gz LUALJXIZIBEHTQ-UHFFFAOYSA-N 0 3 315.848 3.594 20 10 DHCDHN CCCN(Cc1ccnn1-c1ccccc1)Cc1ccccc1O ZINC000790906016 1024399117 /nfs/dbraw/zinc/39/91/17/1024399117.db2.gz SFZLYCYSFHBYLN-UHFFFAOYSA-N 0 3 321.424 3.990 20 10 DHCDHN CN(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC000790958435 1024404819 /nfs/dbraw/zinc/40/48/19/1024404819.db2.gz PDVDZZDDEZGHHQ-UHFFFAOYSA-N 0 3 314.832 3.539 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271545150 1024536643 /nfs/dbraw/zinc/53/66/43/1024536643.db2.gz ZBFKENDSPDFYGU-LIRRHRJNSA-N 0 3 316.420 3.666 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H](O)c1c(F)cccc1F ZINC000877063201 1033221895 /nfs/dbraw/zinc/22/18/95/1033221895.db2.gz GFTDFHPKPHWIBH-QAPCUYQASA-N 0 3 321.367 3.581 20 10 DHCDHN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000283478635 1024672432 /nfs/dbraw/zinc/67/24/32/1024672432.db2.gz WXUOIFIAMPCVJB-DYVFJYSZSA-N 0 3 318.848 3.999 20 10 DHCDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccccc1[O-] ZINC001170417677 1024768457 /nfs/dbraw/zinc/76/84/57/1024768457.db2.gz MHYIZZSQZBGQFG-HIFRSBDPSA-N 0 3 313.397 3.793 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CCO2 ZINC000897417762 1024788830 /nfs/dbraw/zinc/78/88/30/1024788830.db2.gz XBIBXARVLBJEJZ-CQSZACIVSA-N 0 3 309.409 3.797 20 10 DHCDHN C[C@@H]([NH2+]CCCN1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000321330731 1024820186 /nfs/dbraw/zinc/82/01/86/1024820186.db2.gz CIWWPJSMDWTVIL-CQSZACIVSA-N 0 3 314.404 3.635 20 10 DHCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000747100725 1024870958 /nfs/dbraw/zinc/87/09/58/1024870958.db2.gz PQGDKXDIJIZIAP-UHFFFAOYSA-N 0 3 322.880 3.932 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000877118470 1033244116 /nfs/dbraw/zinc/24/41/16/1033244116.db2.gz CAPAZGWVEOWFDF-UHFFFAOYSA-N 0 3 319.445 3.691 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cc3cc(F)ccc3o2)c([O-])c1 ZINC000793388057 1025027675 /nfs/dbraw/zinc/02/76/75/1025027675.db2.gz KBBUEKAPCVIQGP-UHFFFAOYSA-N 0 3 301.317 3.576 20 10 DHCDHN CC[C@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000229552927 1025062957 /nfs/dbraw/zinc/06/29/57/1025062957.db2.gz XRKGUIROXWHFJD-HNNXBMFYSA-N 0 3 322.449 3.690 20 10 DHCDHN COc1cccc(O)c1CN1CCC(CC(F)(F)F)CC1 ZINC000793619035 1025132953 /nfs/dbraw/zinc/13/29/53/1025132953.db2.gz BLKLFHRJVSXMCH-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000793619035 1025132957 /nfs/dbraw/zinc/13/29/57/1025132957.db2.gz BLKLFHRJVSXMCH-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000124389095 1025423503 /nfs/dbraw/zinc/42/35/03/1025423503.db2.gz XLVOTRNBTPBICI-KRWDZBQOSA-N 0 3 320.392 3.594 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000124389095 1025423510 /nfs/dbraw/zinc/42/35/10/1025423510.db2.gz XLVOTRNBTPBICI-KRWDZBQOSA-N 0 3 320.392 3.594 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132716 1025778231 /nfs/dbraw/zinc/77/82/31/1025778231.db2.gz YYYXNOGWZJCEAN-BBRMVZONSA-N 0 3 310.869 3.818 20 10 DHCDHN C[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOC2(CCC2)C1 ZINC000886777016 1025897087 /nfs/dbraw/zinc/89/70/87/1025897087.db2.gz VXYVXQGKHLPAJI-QAPCUYQASA-N 0 3 301.430 3.709 20 10 DHCDHN COc1cc(O)c(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245541280 1026062079 /nfs/dbraw/zinc/06/20/79/1026062079.db2.gz NXKCXBGIRSSWCL-BFUOFWGJSA-N 0 3 313.397 3.602 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000289827466 1026189666 /nfs/dbraw/zinc/18/96/66/1026189666.db2.gz PFCDDFNKUOYFLU-CVAIRZPRSA-N 0 3 311.425 3.517 20 10 DHCDHN COc1cc(Cl)cc(CN[C@H]2c3ccccc3O[C@H]2C)c1O ZINC000290010023 1026281587 /nfs/dbraw/zinc/28/15/87/1026281587.db2.gz DPLQRGOGJVHRCB-MGPLVRAMSA-N 0 3 319.788 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(CO)c2)c1[O-] ZINC000808691943 1026349238 /nfs/dbraw/zinc/34/92/38/1026349238.db2.gz LCMZUKKINHJJBV-GFCCVEGCSA-N 0 3 305.805 3.697 20 10 DHCDHN Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808674121 1026352778 /nfs/dbraw/zinc/35/27/78/1026352778.db2.gz NUDNHDQQZODMBW-LLVKDONJSA-N 0 3 321.852 3.598 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000808672833 1026354114 /nfs/dbraw/zinc/35/41/14/1026354114.db2.gz SDHDRLGEYFQMLZ-SWLSCSKDSA-N 0 3 322.836 3.901 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000808707240 1026357536 /nfs/dbraw/zinc/35/75/36/1026357536.db2.gz IVGJPWGCBFQPED-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H](O)c1ccccc1 ZINC000808719405 1026365828 /nfs/dbraw/zinc/36/58/28/1026365828.db2.gz FIROLZHLGPIFDD-JFVXACQESA-N 0 3 315.388 3.791 20 10 DHCDHN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])o1 ZINC000808699151 1026374844 /nfs/dbraw/zinc/37/48/44/1026374844.db2.gz UKSKLSBREDLSTA-FZMZJTMJSA-N 0 3 309.793 3.640 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1[O-] ZINC000808701423 1026375638 /nfs/dbraw/zinc/37/56/38/1026375638.db2.gz XIZNARYKZUTDOS-UKRRQHHQSA-N 0 3 319.832 3.781 20 10 DHCDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000280001808 1026573299 /nfs/dbraw/zinc/57/32/99/1026573299.db2.gz GAPSGQDNBULCCL-IBGZPJMESA-N 0 3 324.472 3.578 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000280089896 1026586964 /nfs/dbraw/zinc/58/69/64/1026586964.db2.gz MHRIICNWWDHAIA-WMZOPIPTSA-N 0 3 303.377 3.614 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000280210519 1026612084 /nfs/dbraw/zinc/61/20/84/1026612084.db2.gz UDOAUZBAFUKRQE-MRXNPFEDSA-N 0 3 315.413 3.959 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280272616 1026623992 /nfs/dbraw/zinc/62/39/92/1026623992.db2.gz YAMXTIQYGNITLI-YPMHNXCESA-N 0 3 305.340 3.709 20 10 DHCDHN COc1cc(C)cc(CNC2(c3ccc(F)cc3)CC2)c1O ZINC000894242749 1026695310 /nfs/dbraw/zinc/69/53/10/1026695310.db2.gz VOOYKOZMYKMMJN-UHFFFAOYSA-N 0 3 301.361 3.627 20 10 DHCDHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)[C@H]1[C@@H]1CCCO1 ZINC000811510691 1027027819 /nfs/dbraw/zinc/02/78/19/1027027819.db2.gz MZJJXZZXTYKHIM-OALUTQOASA-N 0 3 311.425 3.935 20 10 DHCDHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H]1[C@@H]1CCCO1 ZINC000811510691 1027027821 /nfs/dbraw/zinc/02/78/21/1027027821.db2.gz MZJJXZZXTYKHIM-OALUTQOASA-N 0 3 311.425 3.935 20 10 DHCDHN CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296567208 1027671940 /nfs/dbraw/zinc/67/19/40/1027671940.db2.gz UWEJKALJGWQURT-RYRKJORJSA-N 0 3 303.446 3.953 20 10 DHCDHN C[N@H+](Cc1cccc(Br)c1)Cc1cc(F)ccc1[O-] ZINC000778996464 1027736786 /nfs/dbraw/zinc/73/67/86/1027736786.db2.gz PZAUWHONCFJFIU-UHFFFAOYSA-N 0 3 324.193 3.926 20 10 DHCDHN C[N@@H+](Cc1cccc(Br)c1)Cc1cc(F)ccc1[O-] ZINC000778996464 1027736792 /nfs/dbraw/zinc/73/67/92/1027736792.db2.gz PZAUWHONCFJFIU-UHFFFAOYSA-N 0 3 324.193 3.926 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000778998731 1027741487 /nfs/dbraw/zinc/74/14/87/1027741487.db2.gz UQXHDWLWYNLNET-UHFFFAOYSA-N 0 3 315.388 3.822 20 10 DHCDHN COc1ccc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000779012101 1027789416 /nfs/dbraw/zinc/78/94/16/1027789416.db2.gz AWIRPZDBCKLYLM-UHFFFAOYSA-N 0 3 315.388 3.920 20 10 DHCDHN CCc1nc([C@@H]2CCC[N@@H+]([C@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624509 1027861691 /nfs/dbraw/zinc/86/16/91/1027861691.db2.gz SYFKONWGEGQECP-UKRRQHHQSA-N 0 3 315.417 3.668 20 10 DHCDHN CCc1nc([C@@H]2CCC[N@H+]([C@H](CC)c3ccccc3[O-])C2)no1 ZINC000364624509 1027861714 /nfs/dbraw/zinc/86/17/14/1027861714.db2.gz SYFKONWGEGQECP-UKRRQHHQSA-N 0 3 315.417 3.668 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000527771793 1027891599 /nfs/dbraw/zinc/89/15/99/1027891599.db2.gz JTYKOBSEPLMMSW-IBGZPJMESA-N 0 3 312.413 3.817 20 10 DHCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])OC)c1 ZINC000527924847 1027953456 /nfs/dbraw/zinc/95/34/56/1027953456.db2.gz ICZGROMNSGZSPP-SGTLLEGYSA-N 0 3 319.376 3.578 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc(F)ccc1[O-] ZINC000527954157 1027985658 /nfs/dbraw/zinc/98/56/58/1027985658.db2.gz YTXMMVUKYLYADC-BBRMVZONSA-N 0 3 306.425 3.589 20 10 DHCDHN COCCC1CC[NH+]([C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000527933808 1027993699 /nfs/dbraw/zinc/99/36/99/1027993699.db2.gz IGNJQVSQWYVTDS-SWLSCSKDSA-N 0 3 307.409 3.828 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cnn(CC2CCC2)c1 ZINC000934559762 1028038737 /nfs/dbraw/zinc/03/87/37/1028038737.db2.gz SQSTXBWFNQWFPE-HNNXBMFYSA-N 0 3 312.461 3.600 20 10 DHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cnn(CC2CCC2)c1 ZINC000934559763 1028040307 /nfs/dbraw/zinc/04/03/07/1028040307.db2.gz SQSTXBWFNQWFPE-OAHLLOKOSA-N 0 3 312.461 3.600 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000367376825 1028175909 /nfs/dbraw/zinc/17/59/09/1028175909.db2.gz DEERMQLXGBADIW-LPHOPBHVSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000367376825 1028175916 /nfs/dbraw/zinc/17/59/16/1028175916.db2.gz DEERMQLXGBADIW-LPHOPBHVSA-N 0 3 319.445 3.503 20 10 DHCDHN Brc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000048818348 1028258987 /nfs/dbraw/zinc/25/89/87/1028258987.db2.gz RAROPCCADIXRTP-UHFFFAOYSA-N 0 3 318.214 3.674 20 10 DHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cc[nH]c(=O)c1 ZINC000815643162 1028588638 /nfs/dbraw/zinc/58/86/38/1028588638.db2.gz VONGIPHOIDKXFS-GBIKHYSHSA-N 0 3 302.349 3.531 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000371410877 1028706584 /nfs/dbraw/zinc/70/65/84/1028706584.db2.gz IAMFXYCKSCJMHR-MRXNPFEDSA-N 0 3 319.408 3.715 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000371410877 1028706598 /nfs/dbraw/zinc/70/65/98/1028706598.db2.gz IAMFXYCKSCJMHR-MRXNPFEDSA-N 0 3 319.408 3.715 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000371464094 1028717176 /nfs/dbraw/zinc/71/71/76/1028717176.db2.gz ONXFJAJXBJBIJN-INIZCTEOSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000371464094 1028717191 /nfs/dbraw/zinc/71/71/91/1028717191.db2.gz ONXFJAJXBJBIJN-INIZCTEOSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)ccc2ccccc21 ZINC000816503545 1028909382 /nfs/dbraw/zinc/90/93/82/1028909382.db2.gz CAHFEZUCNZWDSR-SFHVURJKSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1c(C[N@H+]2CC[C@H](N3CCCCC3)C2)ccc2ccccc21 ZINC000816503545 1028909392 /nfs/dbraw/zinc/90/93/92/1028909392.db2.gz CAHFEZUCNZWDSR-SFHVURJKSA-N 0 3 310.441 3.606 20 10 DHCDHN C[C@H]1CCCCN1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530050 1028922607 /nfs/dbraw/zinc/92/26/07/1028922607.db2.gz RFGRXCMMWSNBEC-LBPRGKRZSA-N 0 3 314.832 3.539 20 10 DHCDHN Cn1nc(C[NH2+]Cc2ccc3ccccc3c2[O-])c2ccccc21 ZINC000816569477 1028947217 /nfs/dbraw/zinc/94/72/17/1028947217.db2.gz NASSLTDNBGCOQN-UHFFFAOYSA-N 0 3 317.392 3.722 20 10 DHCDHN [O-]c1c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816666938 1028985303 /nfs/dbraw/zinc/98/53/03/1028985303.db2.gz YKYZDAGNNXTWQE-VQTJNVASSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816666938 1028985317 /nfs/dbraw/zinc/98/53/17/1028985317.db2.gz YKYZDAGNNXTWQE-VQTJNVASSA-N 0 3 309.409 3.689 20 10 DHCDHN Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)Cc1ccccc1[O-] ZINC000373594313 1029090885 /nfs/dbraw/zinc/09/08/85/1029090885.db2.gz NVDCJZGERKRUIF-CQSZACIVSA-N 0 3 302.443 3.709 20 10 DHCDHN Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)Cc1ccccc1[O-] ZINC000373594313 1029090902 /nfs/dbraw/zinc/09/09/02/1029090902.db2.gz NVDCJZGERKRUIF-CQSZACIVSA-N 0 3 302.443 3.709 20 10 DHCDHN CC(C)[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000779344867 1029170102 /nfs/dbraw/zinc/17/01/02/1029170102.db2.gz YNXVRUSIVAZOPP-GOSISDBHSA-N 0 3 301.409 3.774 20 10 DHCDHN Cc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc(C)n1 ZINC000817588409 1029218964 /nfs/dbraw/zinc/21/89/64/1029218964.db2.gz FEDNSTRIIHOWEW-ZUZCIYMTSA-N 0 3 300.377 3.881 20 10 DHCDHN CC[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984374 1029320906 /nfs/dbraw/zinc/32/09/06/1029320906.db2.gz RKAVFDSGEQMVLF-ZWNOBZJWSA-N 0 3 317.260 3.882 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000818361295 1029385809 /nfs/dbraw/zinc/38/58/09/1029385809.db2.gz WFRPVBODVBEBIW-KQXIARHKSA-N 0 3 310.235 3.912 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170943909 1029676258 /nfs/dbraw/zinc/67/62/58/1029676258.db2.gz OASGLEHTYPEPDW-HNNXBMFYSA-N 0 3 313.828 3.961 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170943909 1029676264 /nfs/dbraw/zinc/67/62/64/1029676264.db2.gz OASGLEHTYPEPDW-HNNXBMFYSA-N 0 3 313.828 3.961 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H](C)c2ccccc2OC)c1 ZINC000865821489 1030039607 /nfs/dbraw/zinc/03/96/07/1030039607.db2.gz XTINNUJLTITEJS-CYBMUJFWSA-N 0 3 301.386 3.650 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc(O)cc(F)c1 ZINC000925082761 1030265207 /nfs/dbraw/zinc/26/52/07/1030265207.db2.gz YJUAQXRBSVJWHM-ZDUSSCGKSA-N 0 3 302.393 3.757 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000866405134 1030284029 /nfs/dbraw/zinc/28/40/29/1030284029.db2.gz ZXMKSIFNKLWKRO-ONUMYQOESA-N 0 3 319.351 3.851 20 10 DHCDHN C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866409553 1030285653 /nfs/dbraw/zinc/28/56/53/1030285653.db2.gz NHXSTRPTXJXZQA-MEDUHNTESA-N 0 3 323.795 3.959 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(C)cc1[O-] ZINC000866426188 1030293107 /nfs/dbraw/zinc/29/31/07/1030293107.db2.gz UVHKBXQCAWTADB-GOEBONIOSA-N 0 3 307.434 3.531 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c([O-])c1 ZINC000866484996 1030323005 /nfs/dbraw/zinc/32/30/05/1030323005.db2.gz BZEJPLNCNGFHRQ-VXGBXAGGSA-N 0 3 312.369 3.959 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c([O-])c1 ZINC000866531968 1030351533 /nfs/dbraw/zinc/35/15/33/1030351533.db2.gz SYWGYNDAYWWBMY-JKSUJKDBSA-N 0 3 303.446 3.866 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(C)cc1[O-] ZINC000866531740 1030352462 /nfs/dbraw/zinc/35/24/62/1030352462.db2.gz SPIFJNOMQSTVSG-WBVHZDCISA-N 0 3 303.446 3.948 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000866538260 1030356637 /nfs/dbraw/zinc/35/66/37/1030356637.db2.gz PWENHZQQIHSLQB-ATVPRXPUSA-N 0 3 319.420 3.732 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccc(Br)cn2)c(O)c1 ZINC000866568771 1030382997 /nfs/dbraw/zinc/38/29/97/1030382997.db2.gz CMPBNPNKNPDJAG-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CCc2cn(C)c3ncccc23)c([O-])c1 ZINC000866574113 1030384178 /nfs/dbraw/zinc/38/41/78/1030384178.db2.gz RIQFLOBILPLDBB-HNNXBMFYSA-N 0 3 323.440 3.789 20 10 DHCDHN CC[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccccc1[O-] ZINC000866572315 1030384756 /nfs/dbraw/zinc/38/47/56/1030384756.db2.gz AAFXMNPWBIZZGW-KRWDZBQOSA-N 0 3 309.413 3.562 20 10 DHCDHN COc1ccc(O)c(CN[C@@H](C)c2cc(C)ccc2OC)c1 ZINC000121620356 1030448077 /nfs/dbraw/zinc/44/80/77/1030448077.db2.gz ZMDPKAKPRMOTGG-ZDUSSCGKSA-N 0 3 301.386 3.569 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824690383 1030613999 /nfs/dbraw/zinc/61/39/99/1030613999.db2.gz CIETYXBLLMJYME-UHFFFAOYSA-N 0 3 315.388 3.668 20 10 DHCDHN CC[C@H]([NH2+]C[C@@](O)(CC)CCC(F)(F)F)c1ccccc1[O-] ZINC000897524562 1030618545 /nfs/dbraw/zinc/61/85/45/1030618545.db2.gz ZMLMNURNSZDGDQ-DZGCQCFKSA-N 0 3 319.367 3.917 20 10 DHCDHN COC[C@H](C[NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000824758034 1030637944 /nfs/dbraw/zinc/63/79/44/1030637944.db2.gz FWYZNOHHAHRMRF-HNNXBMFYSA-N 0 3 305.805 3.565 20 10 DHCDHN Cc1ccc(O)c(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825044948 1030706681 /nfs/dbraw/zinc/70/66/81/1030706681.db2.gz AAJJPAVFNIQBKM-CYBMUJFWSA-N 0 3 307.315 3.895 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c([O-])c1 ZINC000825215075 1030749464 /nfs/dbraw/zinc/74/94/64/1030749464.db2.gz FYHGBPNBZHRSME-KRWDZBQOSA-N 0 3 307.459 3.510 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c([O-])c1 ZINC000825215075 1030749469 /nfs/dbraw/zinc/74/94/69/1030749469.db2.gz FYHGBPNBZHRSME-KRWDZBQOSA-N 0 3 307.459 3.510 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cnc3ccccc3c1)CC2 ZINC000926922720 1030997758 /nfs/dbraw/zinc/99/77/58/1030997758.db2.gz KKUPJZPMGNITIG-SFHVURJKSA-N 0 3 304.393 3.760 20 10 DHCDHN Cc1nc2c(cccc2CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])o1 ZINC000926976493 1031025840 /nfs/dbraw/zinc/02/58/40/1031025840.db2.gz VXZNKMHXCKBILL-NSHDSACASA-N 0 3 314.360 3.874 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@]1(c3ccccc3)CCCO1)CC2 ZINC000927118744 1031102634 /nfs/dbraw/zinc/10/26/34/1031102634.db2.gz HGPPFASNSKXYHO-PXNSSMCTSA-N 0 3 309.409 3.675 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(C)cc1[O-] ZINC000927140052 1031114108 /nfs/dbraw/zinc/11/41/08/1031114108.db2.gz PPFMNOSAJNGXCZ-GGPKGHCWSA-N 0 3 311.425 3.790 20 10 DHCDHN CC[N@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1[O-] ZINC001144416485 1031557120 /nfs/dbraw/zinc/55/71/20/1031557120.db2.gz JRZFQTMUJIGYID-UHFFFAOYSA-N 0 3 315.804 3.944 20 10 DHCDHN CC[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1[O-] ZINC001144416485 1031557135 /nfs/dbraw/zinc/55/71/35/1031557135.db2.gz JRZFQTMUJIGYID-UHFFFAOYSA-N 0 3 315.804 3.944 20 10 DHCDHN CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])COC1 ZINC000293864197 1031663174 /nfs/dbraw/zinc/66/31/74/1031663174.db2.gz UQHOALAYLYFJFY-GOSISDBHSA-N 0 3 311.425 3.692 20 10 DHCDHN CC(=O)Nc1ccc2c(c1)CN(Cc1cc(C)cc(C)c1O)CC2 ZINC000872814320 1031667162 /nfs/dbraw/zinc/66/71/62/1031667162.db2.gz ZAWFROHAQXPHHD-UHFFFAOYSA-N 0 3 324.424 3.526 20 10 DHCDHN Cc1cnn(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)c1 ZINC000361051284 1031696902 /nfs/dbraw/zinc/69/69/02/1031696902.db2.gz WWKUGYLSZJALDO-UHFFFAOYSA-N 0 3 319.836 3.696 20 10 DHCDHN COc1cccc(O)c1CNCc1ccc(C(F)(F)F)s1 ZINC000873155503 1031731031 /nfs/dbraw/zinc/73/10/31/1031731031.db2.gz MJDQQRNXGLDRLV-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846010865 1031806624 /nfs/dbraw/zinc/80/66/24/1031806624.db2.gz RUUDVSCXMZZESU-GOSISDBHSA-N 0 3 317.816 3.529 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846010865 1031806640 /nfs/dbraw/zinc/80/66/40/1031806640.db2.gz RUUDVSCXMZZESU-GOSISDBHSA-N 0 3 317.816 3.529 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1[O-] ZINC000846033846 1031825595 /nfs/dbraw/zinc/82/55/95/1031825595.db2.gz BNPYLQKFKRZMLF-SCLBCKFNSA-N 0 3 319.832 3.740 20 10 DHCDHN CCn1cc(CN(Cc2ccc(N(C)C)cc2C)C(C)C)cn1 ZINC000846054507 1031847192 /nfs/dbraw/zinc/84/71/92/1031847192.db2.gz CTTYOZDOHBHHET-UHFFFAOYSA-N 0 3 314.477 3.688 20 10 DHCDHN CN(C)c1ccc(/C=C/CN2CCC3(CC3(F)F)CC2)cc1 ZINC000846054200 1031848391 /nfs/dbraw/zinc/84/83/91/1031848391.db2.gz GRIZRSMVTRKXAV-ONEGZZNKSA-N 0 3 306.400 3.887 20 10 DHCDHN COc1cccc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000846159403 1031892431 /nfs/dbraw/zinc/89/24/31/1031892431.db2.gz OFIMNMILSCMYLJ-NEPJUHHUSA-N 0 3 316.357 3.721 20 10 DHCDHN COc1cccc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146918 1031908937 /nfs/dbraw/zinc/90/89/37/1031908937.db2.gz SWOKXANHXLCXMC-OLZOCXBDSA-N 0 3 303.406 3.590 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)CC2 ZINC000846212455 1031942852 /nfs/dbraw/zinc/94/28/52/1031942852.db2.gz DUZLYZISZUFWAJ-NEPJUHHUSA-N 0 3 300.229 3.943 20 10 DHCDHN Cc1ccc(CNCc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000877637683 1033390681 /nfs/dbraw/zinc/39/06/81/1033390681.db2.gz ZBRNGVCNAXERAX-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN COc1cccc([O-])c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000877675466 1033408458 /nfs/dbraw/zinc/40/84/58/1033408458.db2.gz QSZPYRGUNOGPGI-UHFFFAOYSA-N 0 3 307.459 3.510 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(OC)c1OC ZINC000877708712 1033421290 /nfs/dbraw/zinc/42/12/90/1033421290.db2.gz UKFGSTLBGLUPIW-OAHLLOKOSA-N 0 3 319.376 3.789 20 10 DHCDHN Cc1ccc(CNCc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000877730364 1033422997 /nfs/dbraw/zinc/42/29/97/1033422997.db2.gz XWACSNQLLVYGMO-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(O)c1[O-] ZINC001172856906 1033425797 /nfs/dbraw/zinc/42/57/97/1033425797.db2.gz AOOXCTGUZGHXJI-JTQLQIEISA-N 0 3 309.768 3.611 20 10 DHCDHN Cc1cc(CN[C@H](C)c2ccccc2O)ncc1Br ZINC000877755667 1033432707 /nfs/dbraw/zinc/43/27/07/1033432707.db2.gz KVIBAEBUDLMKJE-LLVKDONJSA-N 0 3 321.218 3.709 20 10 DHCDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1O ZINC000877756501 1033434411 /nfs/dbraw/zinc/43/44/11/1033434411.db2.gz NGGVEMLNOOMZTC-GFCCVEGCSA-N 0 3 316.357 3.550 20 10 DHCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC1CC1 ZINC000862228802 1033787378 /nfs/dbraw/zinc/78/73/78/1033787378.db2.gz XYSKEEPLWWCHMT-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC1CC1 ZINC000862228802 1033787402 /nfs/dbraw/zinc/78/74/02/1033787402.db2.gz XYSKEEPLWWCHMT-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000862489302 1033868779 /nfs/dbraw/zinc/86/87/79/1033868779.db2.gz HOQNOXAFJWACLM-QAQDUYKDSA-N 0 3 309.425 3.995 20 10 DHCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cc1F ZINC000862541381 1033881530 /nfs/dbraw/zinc/88/15/30/1033881530.db2.gz PVLXEBXCLVQLMQ-CYBMUJFWSA-N 0 3 319.351 3.669 20 10 DHCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cc1F ZINC000862541381 1033881545 /nfs/dbraw/zinc/88/15/45/1033881545.db2.gz PVLXEBXCLVQLMQ-CYBMUJFWSA-N 0 3 319.351 3.669 20 10 DHCDHN CCn1c2cccc(F)c2nc1CN[C@H](C)c1ccccc1O ZINC000879648555 1034069425 /nfs/dbraw/zinc/06/94/25/1034069425.db2.gz TVHVXHANVSKJFN-GFCCVEGCSA-N 0 3 313.376 3.752 20 10 DHCDHN Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1C ZINC000879648288 1034069606 /nfs/dbraw/zinc/06/96/06/1034069606.db2.gz IQKVRDAJOALVAZ-GFCCVEGCSA-N 0 3 318.442 3.668 20 10 DHCDHN Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000879651544 1034073819 /nfs/dbraw/zinc/07/38/19/1034073819.db2.gz AHQGHHZCHLWZFQ-GJZGRUSLSA-N 0 3 312.413 3.687 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000879651545 1034075012 /nfs/dbraw/zinc/07/50/12/1034075012.db2.gz AHQGHHZCHLWZFQ-LSDHHAIUSA-N 0 3 312.413 3.687 20 10 DHCDHN CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000863543082 1034124038 /nfs/dbraw/zinc/12/40/38/1034124038.db2.gz KIJUVNWIIREIJD-MELADBBJSA-N 0 3 316.367 3.592 20 10 DHCDHN CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183423694 1034386145 /nfs/dbraw/zinc/38/61/45/1034386145.db2.gz SZVMOYQYUUAGFW-CQSZACIVSA-N 0 3 312.413 3.982 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000183445259 1034387604 /nfs/dbraw/zinc/38/76/04/1034387604.db2.gz YEUPDFNRLHTWFF-LSDHHAIUSA-N 0 3 314.404 3.708 20 10 DHCDHN CCOc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000183513204 1034394944 /nfs/dbraw/zinc/39/49/44/1034394944.db2.gz NXPQUYMAZKUNKS-ZDUSSCGKSA-N 0 3 301.386 3.650 20 10 DHCDHN COc1ccc(N2CCN([C@H]3CCc4ccccc43)CC2)cc1 ZINC000777400956 1034425423 /nfs/dbraw/zinc/42/54/23/1034425423.db2.gz HRRICTKJWJVFTA-FQEVSTJZSA-N 0 3 308.425 3.505 20 10 DHCDHN CC[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794795793 1034467503 /nfs/dbraw/zinc/46/75/03/1034467503.db2.gz IVGGAHYFPJDRRN-ZDUSSCGKSA-N 0 3 305.340 3.710 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000794801760 1034472255 /nfs/dbraw/zinc/47/22/55/1034472255.db2.gz KYRCLDCETOJECI-ONIAQPFYSA-N 0 3 303.446 3.945 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802679 1034472354 /nfs/dbraw/zinc/47/23/54/1034472354.db2.gz OCYTUCJYACALFT-QAPCUYQASA-N 0 3 311.425 3.993 20 10 DHCDHN CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794805569 1034491741 /nfs/dbraw/zinc/49/17/41/1034491741.db2.gz XGRJWSGWMNZAIG-QGZVFWFLSA-N 0 3 318.461 3.532 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794813020 1034519999 /nfs/dbraw/zinc/51/99/99/1034519999.db2.gz ARXYTCSGYVTNIO-AYOQOUSVSA-N 0 3 313.441 3.733 20 10 DHCDHN CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794817429 1034526845 /nfs/dbraw/zinc/52/68/45/1034526845.db2.gz NAYRLRQESZCHGJ-QAPCUYQASA-N 0 3 317.429 3.982 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794824630 1034534427 /nfs/dbraw/zinc/53/44/27/1034534427.db2.gz KSKWEBYEFCFUIE-ZFWWWQNUSA-N 0 3 322.449 3.655 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1[O-] ZINC000185209076 1034536784 /nfs/dbraw/zinc/53/67/84/1034536784.db2.gz XNEFDKUVZAVIAZ-LJQANCHMSA-N 0 3 321.424 3.878 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185346300 1034542609 /nfs/dbraw/zinc/54/26/09/1034542609.db2.gz SQWBCVKAGYNZDJ-VXGBXAGGSA-N 0 3 307.825 3.537 20 10 DHCDHN COCCC1(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000186134378 1034601693 /nfs/dbraw/zinc/60/16/93/1034601693.db2.gz JSFCBUWNRAUFFA-CQSZACIVSA-N 0 3 303.446 3.738 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1[O-] ZINC000186518271 1034637421 /nfs/dbraw/zinc/63/74/21/1034637421.db2.gz UGACFSIQHDCTFH-RRFJBIMHSA-N 0 3 320.452 3.835 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c([O-])c1 ZINC000186521435 1034637783 /nfs/dbraw/zinc/63/77/83/1034637783.db2.gz KAPXRQCSNDGLTR-HNNXBMFYSA-N 0 3 321.424 3.952 20 10 DHCDHN Cc1ccc2c(C[NH2+][C@@H](C)c3ccccc3[O-])cc(=O)oc2c1 ZINC001175418125 1034972748 /nfs/dbraw/zinc/97/27/48/1034972748.db2.gz FPBNCZBYJKNWSV-ZDUSSCGKSA-N 0 3 309.365 3.658 20 10 DHCDHN CC(C)[C@H]1COCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240411 1035469110 /nfs/dbraw/zinc/46/91/10/1035469110.db2.gz RPAYBJFXWCTIFF-HXUWFJFHSA-N 0 3 312.457 3.763 20 10 DHCDHN CCN(C)c1ccc(CNC2(c3ccc(OC)cc3)CC2)cc1 ZINC000773815122 1035479950 /nfs/dbraw/zinc/47/99/50/1035479950.db2.gz ZCDMHGGRZQAWJX-UHFFFAOYSA-N 0 3 310.441 3.930 20 10 DHCDHN CCN(CC)c1ccc(CNC2(C)CC(F)(F)C2)cc1F ZINC001179502252 1035481918 /nfs/dbraw/zinc/48/19/18/1035481918.db2.gz NIHFAFUUQIYMSD-UHFFFAOYSA-N 0 3 300.368 3.949 20 10 DHCDHN [O-]c1ccccc1C[NH2+]CCc1ccccc1OC(F)(F)F ZINC000153112026 1035726536 /nfs/dbraw/zinc/72/65/36/1035726536.db2.gz IIXRGKOCCQIGNH-UHFFFAOYSA-N 0 3 311.303 3.623 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@H](O)c2cccc3ccccc32)c([O-])c1 ZINC001182835232 1036466946 /nfs/dbraw/zinc/46/69/46/1036466946.db2.gz PFGLHEAJUVGZLE-FQEVSTJZSA-N 0 3 307.393 3.677 20 10 DHCDHN Cc1cccc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)c1O ZINC000775713731 1036524008 /nfs/dbraw/zinc/52/40/08/1036524008.db2.gz MBZLWCMWSHCZSV-APWZRJJASA-N 0 3 311.425 3.971 20 10 DHCDHN CN(Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000762118536 1036530273 /nfs/dbraw/zinc/53/02/73/1036530273.db2.gz HOSQNXHNHXJBIF-UHFFFAOYSA-N 0 3 323.751 3.545 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)c1ccccc1[O-] ZINC001197004788 1036667830 /nfs/dbraw/zinc/66/78/30/1036667830.db2.gz VVIUEDKRCKKHNP-DNVCBOLYSA-N 0 3 321.420 3.800 20 10 DHCDHN CCC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000774869555 1037127548 /nfs/dbraw/zinc/12/75/48/1037127548.db2.gz MAAWIOJZFHFEDD-UHFFFAOYSA-N 0 3 322.449 3.519 20 10 DHCDHN CCC[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000774869555 1037127560 /nfs/dbraw/zinc/12/75/60/1037127560.db2.gz MAAWIOJZFHFEDD-UHFFFAOYSA-N 0 3 322.449 3.519 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000776230148 1037972352 /nfs/dbraw/zinc/97/23/52/1037972352.db2.gz HALQVUIEZKHMDP-APPDUMDISA-N 0 3 323.795 3.705 20 10 DHCDHN CCCn1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC001202066086 1038000644 /nfs/dbraw/zinc/00/06/44/1038000644.db2.gz KHVYDXCDGXAGIM-AWEZNQCLSA-N 0 3 300.450 3.518 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000775410916 1038378945 /nfs/dbraw/zinc/37/89/45/1038378945.db2.gz CHINDTWAHYUWTM-RDJZCZTQSA-N 0 3 305.805 3.820 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cc(Cl)ccc1[O-] ZINC000775488566 1038562264 /nfs/dbraw/zinc/56/22/64/1038562264.db2.gz OMVPRLYDSPXHIM-HRCADAONSA-N 0 3 308.853 3.713 20 10 DHCDHN CC[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000775492165 1038562484 /nfs/dbraw/zinc/56/24/84/1038562484.db2.gz MRDQFQMLGUOKKI-DOTOQJQBSA-N 0 3 304.478 3.943 20 10 DHCDHN Cc1ccc([C@H](C)NCc2nn(C)c3ccccc23)c(O)c1C ZINC000760898133 1039037654 /nfs/dbraw/zinc/03/76/54/1039037654.db2.gz OTAAZKQLSPHFSS-AWEZNQCLSA-N 0 3 309.413 3.747 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000172484952 1039918892 /nfs/dbraw/zinc/91/88/92/1039918892.db2.gz MGQZZQYPUZTVAT-KRWDZBQOSA-N 0 3 310.441 3.606 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000172484952 1039918910 /nfs/dbraw/zinc/91/89/10/1039918910.db2.gz MGQZZQYPUZTVAT-KRWDZBQOSA-N 0 3 310.441 3.606 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2C)c1[O-] ZINC000761184104 1040493875 /nfs/dbraw/zinc/49/38/75/1040493875.db2.gz PYZLYBIKERPUSI-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2C)c1[O-] ZINC000761184104 1040493883 /nfs/dbraw/zinc/49/38/83/1040493883.db2.gz PYZLYBIKERPUSI-UHFFFAOYSA-N 0 3 305.805 3.995 20 10 DHCDHN COc1cc(Cl)cc(CN2CCS[C@@H](C(C)C)C2)c1O ZINC000761203797 1040576784 /nfs/dbraw/zinc/57/67/84/1040576784.db2.gz MGRPVKLFYPFLLL-CQSZACIVSA-N 0 3 315.866 3.628 20 10 DHCDHN Nc1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC001120370988 1040603424 /nfs/dbraw/zinc/60/34/24/1040603424.db2.gz LUQGRFPNQISXIA-INIZCTEOSA-N 0 3 302.443 3.512 20 10 DHCDHN CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000761216823 1040684623 /nfs/dbraw/zinc/68/46/23/1040684623.db2.gz YDAJAFUSWSXSNP-GTNSWQLSSA-N 0 3 307.340 3.536 20 10 DHCDHN CCOc1cccc(CN[C@H](C)c2ccc(F)cc2F)c1O ZINC000236961137 202095628 /nfs/dbraw/zinc/09/56/28/202095628.db2.gz GTGAMXBECHIOEU-LLVKDONJSA-N 0 3 307.340 3.920 20 10 DHCDHN CCCO[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000093317578 193230910 /nfs/dbraw/zinc/23/09/10/193230910.db2.gz DCMFKXVOVWBJRO-MRXNPFEDSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCO[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000093317578 193230912 /nfs/dbraw/zinc/23/09/12/193230912.db2.gz DCMFKXVOVWBJRO-MRXNPFEDSA-N 0 3 307.434 3.572 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccccc1[O-] ZINC000021810617 182292042 /nfs/dbraw/zinc/29/20/42/182292042.db2.gz RONNXXCMUDOCAN-CABCVRRESA-N 0 3 304.459 3.797 20 10 DHCDHN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000272901956 130072470 /nfs/dbraw/zinc/07/24/70/130072470.db2.gz VFGJIHYKSSIUAF-VBHSOAQHSA-N 0 3 303.377 3.958 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000273484312 130125784 /nfs/dbraw/zinc/12/57/84/130125784.db2.gz MWHXYMNWVKMHOS-MEDUHNTESA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000273484310 130126482 /nfs/dbraw/zinc/12/64/82/130126482.db2.gz MWHXYMNWVKMHOS-BZNIZROVSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000273503953 130129079 /nfs/dbraw/zinc/12/90/79/130129079.db2.gz QSDVWZPXCLZPMF-QLEMLULZSA-N 0 3 317.454 3.850 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000273496206 130129264 /nfs/dbraw/zinc/12/92/64/130129264.db2.gz PFCAJDCJARFCSW-IBILFNBTSA-N 0 3 321.417 3.681 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000273530958 130133289 /nfs/dbraw/zinc/13/32/89/130133289.db2.gz WJMDWYWDHDXSDF-CXAGYDPISA-N 0 3 313.397 3.802 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000273562273 130137679 /nfs/dbraw/zinc/13/76/79/130137679.db2.gz IKEOZXUIHULBFE-ZIAGYGMSSA-N 0 3 324.424 3.631 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273606723 130143687 /nfs/dbraw/zinc/14/36/87/130143687.db2.gz UIDUZWWGFAHUNI-NJSLBKSFSA-N 0 3 317.404 3.921 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)cc1O ZINC000273608602 130143925 /nfs/dbraw/zinc/14/39/25/130143925.db2.gz UZYCJPUOTGXUHT-CYBMUJFWSA-N 0 3 301.386 3.574 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1[O-] ZINC000274881638 130270868 /nfs/dbraw/zinc/27/08/68/130270868.db2.gz HQASYVUPKAZZKB-GOSISDBHSA-N 0 3 324.424 3.525 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000274901763 130271233 /nfs/dbraw/zinc/27/12/33/130271233.db2.gz LJVWEMZSUBEBDE-OAHLLOKOSA-N 0 3 300.358 3.584 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCSC2)c1[O-] ZINC000275158271 130295350 /nfs/dbraw/zinc/29/53/50/130295350.db2.gz AAOIKRLMQYYGAT-GXSJLCMTSA-N 0 3 316.264 3.619 20 10 DHCDHN Cc1cc(C)n(CCC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])n1 ZINC000284083659 131046926 /nfs/dbraw/zinc/04/69/26/131046926.db2.gz LXPBZCYDVFHIKK-INIZCTEOSA-N 0 3 301.434 3.563 20 10 DHCDHN Cc1noc([C@@H]2CCCN2Cc2c(O)ccc3ccccc32)n1 ZINC000285206620 131147519 /nfs/dbraw/zinc/14/75/19/131147519.db2.gz SZDXLKGQHYWXIF-INIZCTEOSA-N 0 3 309.369 3.574 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000285237137 131150392 /nfs/dbraw/zinc/15/03/92/131150392.db2.gz PMDHHEBQAPJTHT-HDMKZQKVSA-N 0 3 321.486 3.714 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1[O-] ZINC000286013418 131214978 /nfs/dbraw/zinc/21/49/78/131214978.db2.gz JHQYSQZGNQNCCK-GOSISDBHSA-N 0 3 320.452 3.979 20 10 DHCDHN C[C@H](NCc1c(F)cccc1N1CCCC1)c1ccccc1O ZINC000287340453 131275956 /nfs/dbraw/zinc/27/59/56/131275956.db2.gz GHAYYVKLBVXWQV-AWEZNQCLSA-N 0 3 314.404 3.982 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000297941644 132041128 /nfs/dbraw/zinc/04/11/28/132041128.db2.gz YCMJCCKYPSBGJS-IMFGXOCKSA-N 0 3 309.409 3.889 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000297941695 132041219 /nfs/dbraw/zinc/04/12/19/132041219.db2.gz YCMJCCKYPSBGJS-YVWKXTFCSA-N 0 3 309.409 3.889 20 10 DHCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000079723028 331683021 /nfs/dbraw/zinc/68/30/21/331683021.db2.gz TXNPBNJKXTWHBP-KRWDZBQOSA-N 0 3 310.441 3.682 20 10 DHCDHN CN(C)c1ccc(CN2CCC(OC(C)(C)C)CC2)cc1F ZINC000119217430 332367064 /nfs/dbraw/zinc/36/70/64/332367064.db2.gz OJMDYBMXOUZIIX-UHFFFAOYSA-N 0 3 308.441 3.671 20 10 DHCDHN COCc1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1F ZINC000185495783 333209257 /nfs/dbraw/zinc/20/92/57/333209257.db2.gz BLKGBMNQXBEBQY-CYBMUJFWSA-N 0 3 303.377 3.837 20 10 DHCDHN COc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1C ZINC000295907229 335138527 /nfs/dbraw/zinc/13/85/27/335138527.db2.gz DBUYGDRDORNDMZ-QGZVFWFLSA-N 0 3 319.470 3.915 20 10 DHCDHN COc1cccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000295972145 335139099 /nfs/dbraw/zinc/13/90/99/335139099.db2.gz ITKHLKWSJLBCDW-MRXNPFEDSA-N 0 3 319.351 3.846 20 10 DHCDHN C[C@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000296562206 335146577 /nfs/dbraw/zinc/14/65/77/335146577.db2.gz ULSZEMPBOYCENW-QAPCUYQASA-N 0 3 317.816 3.530 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464619 334047580 /nfs/dbraw/zinc/04/75/80/334047580.db2.gz IHSWOBIPQUVIKQ-WMZOPIPTSA-N 0 3 319.351 3.680 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464615 334047636 /nfs/dbraw/zinc/04/76/36/334047636.db2.gz IHSWOBIPQUVIKQ-FUHWJXTLSA-N 0 3 319.351 3.680 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CC2CC(F)(F)C2)c1[O-] ZINC000292752520 334191723 /nfs/dbraw/zinc/19/17/23/334191723.db2.gz INXRKRSIQIUDBN-UHFFFAOYSA-N 0 3 320.177 3.598 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000192928419 336284568 /nfs/dbraw/zinc/28/45/68/336284568.db2.gz ASOFNPHQQBQYEB-HNNXBMFYSA-N 0 3 324.424 3.678 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2c(c1)ncn2C ZINC000355123919 336495576 /nfs/dbraw/zinc/49/55/76/336495576.db2.gz NSIDDTIYLCVLHE-UHFFFAOYSA-N 0 3 318.424 3.663 20 10 DHCDHN COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000368325856 336842443 /nfs/dbraw/zinc/84/24/43/336842443.db2.gz CUODSXNLSOABJC-CJNGLKHVSA-N 0 3 313.397 3.884 20 10 DHCDHN CN1CCc2cc(CN[C@H](c3ccccc3)[C@@H]3CCOC3)ccc21 ZINC000374498012 336990689 /nfs/dbraw/zinc/99/06/89/336990689.db2.gz SXJOEEBLHHGGJG-TZIWHRDSSA-N 0 3 322.452 3.546 20 10 DHCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1[O-] ZINC000375531173 337012985 /nfs/dbraw/zinc/01/29/85/337012985.db2.gz ZPMLVTZMZIMWRM-SCTDSRPQSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1[O-] ZINC000375531173 337012986 /nfs/dbraw/zinc/01/29/86/337012986.db2.gz ZPMLVTZMZIMWRM-SCTDSRPQSA-N 0 3 303.446 3.606 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH2+][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000376957261 337044134 /nfs/dbraw/zinc/04/41/34/337044134.db2.gz JMBQRMVAGREVJF-MGPUTAFESA-N 0 3 319.404 3.856 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000377624214 337056657 /nfs/dbraw/zinc/05/66/57/337056657.db2.gz KLRJKGFPUHMXEH-GLJUWKHASA-N 0 3 312.413 3.940 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000377624214 337056658 /nfs/dbraw/zinc/05/66/58/337056658.db2.gz KLRJKGFPUHMXEH-GLJUWKHASA-N 0 3 312.413 3.940 20 10 DHCDHN COc1cccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1[O-] ZINC000377623448 337056748 /nfs/dbraw/zinc/05/67/48/337056748.db2.gz JLDDZAPAMGZTIE-UHFFFAOYSA-N 0 3 319.351 3.715 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377631066 337056775 /nfs/dbraw/zinc/05/67/75/337056775.db2.gz SLSNMOQQJSVHPC-HIFRSBDPSA-N 0 3 317.351 3.623 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377631066 337056776 /nfs/dbraw/zinc/05/67/76/337056776.db2.gz SLSNMOQQJSVHPC-HIFRSBDPSA-N 0 3 317.351 3.623 20 10 DHCDHN [O-]c1ccccc1C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000179578781 337170356 /nfs/dbraw/zinc/17/03/56/337170356.db2.gz GPYLUBIHXHKRDP-UHFFFAOYSA-N 0 3 300.377 3.608 20 10 DHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1C ZINC000184807835 337200227 /nfs/dbraw/zinc/20/02/27/337200227.db2.gz JLHWZUMLTSVZHE-FQEVSTJZSA-N 0 3 309.409 3.640 20 10 DHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1C ZINC000184807835 337200228 /nfs/dbraw/zinc/20/02/28/337200228.db2.gz JLHWZUMLTSVZHE-FQEVSTJZSA-N 0 3 309.409 3.640 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000248517123 337564229 /nfs/dbraw/zinc/56/42/29/337564229.db2.gz PCJAHJLJCNAIQF-GDZNZVCISA-N 0 3 313.397 3.616 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([O-])c1 ZINC000248492718 337565651 /nfs/dbraw/zinc/56/56/51/337565651.db2.gz JORVAEMCUIDHKX-NZPGVSJUSA-N 0 3 301.430 3.699 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1cc(C)ccc1C ZINC000527817839 337763418 /nfs/dbraw/zinc/76/34/18/337763418.db2.gz CWFBTLPJCADJIM-MRXNPFEDSA-N 0 3 313.397 3.979 20 10 DHCDHN COc1ccc([C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C2CC2)cn1 ZINC000528041985 337785456 /nfs/dbraw/zinc/78/54/56/337785456.db2.gz BVIOEQJWISORRD-KXBFYZLASA-N 0 3 310.397 3.524 20 10 DHCDHN COCCC1CC[NH+](Cc2cc3c(cc2[O-])CCCC3)CC1 ZINC000530095058 340779142 /nfs/dbraw/zinc/77/91/42/340779142.db2.gz KKXGHSMQLHIDIR-UHFFFAOYSA-N 0 3 303.446 3.520 20 10 DHCDHN CCOc1ccccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000182341370 521505696 /nfs/dbraw/zinc/50/56/96/521505696.db2.gz AYLXFPJWAWRZOZ-CYBMUJFWSA-N 0 3 301.386 3.650 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000156443665 522600574 /nfs/dbraw/zinc/60/05/74/522600574.db2.gz UXJLCVFAAKDOBX-ZBFHGGJFSA-N 0 3 310.397 3.559 20 10 DHCDHN COc1cc(O)c(CN2CCC[C@@H]2c2cccs2)cc1OC ZINC000159492164 522772894 /nfs/dbraw/zinc/77/28/94/522772894.db2.gz QCTILEHSDBGEDQ-CYBMUJFWSA-N 0 3 319.426 3.808 20 10 DHCDHN COc1cc(O)c(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1OC ZINC000160316346 522779310 /nfs/dbraw/zinc/77/93/10/522779310.db2.gz NXKCXBGIRSSWCL-YJYMSZOUSA-N 0 3 313.397 3.602 20 10 DHCDHN COc1ccc([O-])c(C[NH2+]Cc2cccc(CSC)c2)c1 ZINC000188974307 524751995 /nfs/dbraw/zinc/75/19/95/524751995.db2.gz GCJMVYSZQFNYQG-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1ccc(O)c(CNCc2cccc(CSC)c2)c1 ZINC000188974307 524752005 /nfs/dbraw/zinc/75/20/05/524752005.db2.gz GCJMVYSZQFNYQG-UHFFFAOYSA-N 0 3 303.427 3.554 20 10 DHCDHN COc1ncccc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184985307 525061440 /nfs/dbraw/zinc/06/14/40/525061440.db2.gz UEKNAUSYKRVTHG-ZDUSSCGKSA-N 0 3 312.413 3.525 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000185737555 525363393 /nfs/dbraw/zinc/36/33/93/525363393.db2.gz LDELSVLKMRDOPY-SOLBZPMBSA-N 0 3 313.441 3.906 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180257717 526348579 /nfs/dbraw/zinc/34/85/79/526348579.db2.gz SAVNRMAIKCAMNX-HOCLYGCPSA-N 0 3 321.417 3.681 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180257717 526348583 /nfs/dbraw/zinc/34/85/83/526348583.db2.gz SAVNRMAIKCAMNX-HOCLYGCPSA-N 0 3 321.417 3.681 20 10 DHCDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000160531412 527589563 /nfs/dbraw/zinc/58/95/63/527589563.db2.gz RSHDFBNYYPVVEM-AWEZNQCLSA-N 0 3 314.477 3.863 20 10 DHCDHN CCCN1CC[C@@H](C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753857 534948793 /nfs/dbraw/zinc/94/87/93/534948793.db2.gz QMGBDPASPOCDSI-XJKSGUPXSA-N 0 3 310.869 3.818 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000274916809 535907643 /nfs/dbraw/zinc/90/76/43/535907643.db2.gz OLDSHYQZOUOQNA-GOEBONIOSA-N 0 3 323.795 3.959 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1[O-] ZINC000274941673 535941487 /nfs/dbraw/zinc/94/14/87/535941487.db2.gz SZQLSQMNOLJBOP-DYVFJYSZSA-N 0 3 324.424 3.713 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1[O-] ZINC000154916130 1013084238 /nfs/dbraw/zinc/08/42/38/1013084238.db2.gz ZIMLTHLOCFBOOX-KDOFPFPSSA-N 0 3 322.412 3.775 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1[O-] ZINC000154973846 1013127501 /nfs/dbraw/zinc/12/75/01/1013127501.db2.gz KECXJZLGAMMXDA-LJQANCHMSA-N 0 3 321.424 3.878 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000155100627 1013207329 /nfs/dbraw/zinc/20/73/29/1013207329.db2.gz BOMQBHZMYOMHNH-VQIMIIECSA-N 0 3 310.441 3.959 20 10 DHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000069287041 1013766531 /nfs/dbraw/zinc/76/65/31/1013766531.db2.gz MFXOJYHCZMHOQM-OAHLLOKOSA-N 0 3 314.429 3.584 20 10 DHCDHN CCCN(Cc1cnc(Cl)c(F)c1)Cc1ccccc1O ZINC000846810679 1032089857 /nfs/dbraw/zinc/08/98/57/1032089857.db2.gz ZUEVGJUGVUHKKC-UHFFFAOYSA-N 0 3 308.784 3.992 20 10 DHCDHN COc1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c([O-])c1OC ZINC000895126143 1014486175 /nfs/dbraw/zinc/48/61/75/1014486175.db2.gz VOUGFADGCSCYBW-HNNXBMFYSA-N 0 3 305.418 3.564 20 10 DHCDHN COc1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)c([O-])c1OC ZINC000895126143 1014486181 /nfs/dbraw/zinc/48/61/81/1014486181.db2.gz VOUGFADGCSCYBW-HNNXBMFYSA-N 0 3 305.418 3.564 20 10 DHCDHN C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000783518215 1015046930 /nfs/dbraw/zinc/04/69/30/1015046930.db2.gz KYFHVVHABBAUHX-AWEZNQCLSA-N 0 3 314.385 3.974 20 10 DHCDHN COc1ccc(O)c(CNCc2cc(C3CC3)ccc2OC)c1 ZINC000895539151 1015195291 /nfs/dbraw/zinc/19/52/91/1015195291.db2.gz QHBXZGDSIYGCFV-UHFFFAOYSA-N 0 3 313.397 3.577 20 10 DHCDHN CCc1cccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1[O-] ZINC000895822088 1015316867 /nfs/dbraw/zinc/31/68/67/1015316867.db2.gz MTZUUDTXLZXILX-SFHVURJKSA-N 0 3 303.446 3.784 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)CC2 ZINC000326425452 1015481782 /nfs/dbraw/zinc/48/17/82/1015481782.db2.gz AATRWPWNGHSPBD-RTBURBONSA-N 0 3 322.452 3.806 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(N2CCCC2)n1 ZINC000783533707 1015488528 /nfs/dbraw/zinc/48/85/28/1015488528.db2.gz VKKBZZFAUHKXAY-OAHLLOKOSA-N 0 3 311.429 3.547 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000185342164 1016859078 /nfs/dbraw/zinc/85/90/78/1016859078.db2.gz ZNIJQSFRRWMPQL-CQSZACIVSA-N 0 3 322.449 3.608 20 10 DHCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Oc1ccccc1F ZINC000185576498 1017019737 /nfs/dbraw/zinc/01/97/37/1017019737.db2.gz KRPUMXYMGIKVOP-NEPJUHHUSA-N 0 3 307.340 3.789 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544167 1032756861 /nfs/dbraw/zinc/75/68/61/1032756861.db2.gz RLYGUTZPKYMWJL-CYBMUJFWSA-N 0 3 321.342 3.799 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544167 1032756877 /nfs/dbraw/zinc/75/68/77/1032756877.db2.gz RLYGUTZPKYMWJL-CYBMUJFWSA-N 0 3 321.342 3.799 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278477322 1018728497 /nfs/dbraw/zinc/72/84/97/1018728497.db2.gz OLINLMZVMANTQI-ZDUSSCGKSA-N 0 3 312.413 3.525 20 10 DHCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCC2(F)F)cc1F ZINC000858173315 1032788711 /nfs/dbraw/zinc/78/87/11/1032788711.db2.gz ZWMKENKNEGJGMM-NSHDSACASA-N 0 3 304.331 3.556 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CO)cc2)c1[O-] ZINC000842892303 1018831848 /nfs/dbraw/zinc/83/18/48/1018831848.db2.gz AYRKPRZSCRAXMX-LBPRGKRZSA-N 0 3 305.805 3.697 20 10 DHCDHN CCSCC[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169089802 1019060761 /nfs/dbraw/zinc/06/07/61/1019060761.db2.gz IQLACIYJHNLYLB-SNVBAGLBSA-N 0 3 303.855 3.676 20 10 DHCDHN COc1cccc(CNCc2cc(C)ccc2O)c1OC(C)C ZINC000858238074 1032812387 /nfs/dbraw/zinc/81/23/87/1032812387.db2.gz TYDVBASXZOUQIT-UHFFFAOYSA-N 0 3 315.413 3.786 20 10 DHCDHN CCCCN(C(=O)c1cccc2c1CCNC2)c1ccccc1 ZINC000322418023 1019338390 /nfs/dbraw/zinc/33/83/90/1019338390.db2.gz YCWMCYLIXKAVQR-UHFFFAOYSA-N 0 3 308.425 3.779 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000858308187 1032837769 /nfs/dbraw/zinc/83/77/69/1032837769.db2.gz SVMIXXYPZVXFHH-UHFFFAOYSA-N 0 3 303.324 3.613 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000922150313 1019533194 /nfs/dbraw/zinc/53/31/94/1019533194.db2.gz RAXHYTPVXJGBRQ-ZDUSSCGKSA-N 0 3 312.369 3.771 20 10 DHCDHN CC[C@@H](N[C@H]1CCCc2nc(C)ncc21)c1ccc(N(C)C)cc1 ZINC000766042298 1020552187 /nfs/dbraw/zinc/55/21/87/1020552187.db2.gz GOCFPQQRNDRDCC-QUCCMNQESA-N 0 3 324.472 3.969 20 10 DHCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CCO)c1ccco1 ZINC001116643931 1020596294 /nfs/dbraw/zinc/59/62/94/1020596294.db2.gz WCJOHJNODTXBIG-HZSPNIEDSA-N 0 3 301.386 3.555 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000858490705 1032919210 /nfs/dbraw/zinc/91/92/10/1032919210.db2.gz MHSJNFYLBHJNGX-CZUORRHYSA-N 0 3 310.869 3.818 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000858541797 1032937801 /nfs/dbraw/zinc/93/78/01/1032937801.db2.gz DGVVREHSZZEVKR-HNNXBMFYSA-N 0 3 322.456 3.987 20 10 DHCDHN CCOC(=O)C1(C)CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001171940345 1032946637 /nfs/dbraw/zinc/94/66/37/1032946637.db2.gz RELZPIYRYOULMZ-WRSVWVKZSA-N 0 3 305.418 3.555 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cc(O)cc(F)c1 ZINC000924648012 1032948823 /nfs/dbraw/zinc/94/88/23/1032948823.db2.gz KDZRLRARJBAQKF-CQSZACIVSA-N 0 3 314.404 3.982 20 10 DHCDHN C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000742371361 1021113101 /nfs/dbraw/zinc/11/31/01/1021113101.db2.gz SJAOVSXLSLNENN-KBRIMQKVSA-N 0 3 322.880 3.788 20 10 DHCDHN CCC[C@@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742709226 1021148610 /nfs/dbraw/zinc/14/86/10/1021148610.db2.gz AFBHBHFZQQMMCI-INIZCTEOSA-N 0 3 313.441 3.948 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc(Cl)c1 ZINC000743870484 1021399366 /nfs/dbraw/zinc/39/93/66/1021399366.db2.gz TWJAZKBBTYHMGS-GOSISDBHSA-N 0 3 319.832 3.991 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cccc(Cl)c1 ZINC000743870484 1021399381 /nfs/dbraw/zinc/39/93/81/1021399381.db2.gz TWJAZKBBTYHMGS-GOSISDBHSA-N 0 3 319.832 3.991 20 10 DHCDHN CC(C)[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000850414395 1021519423 /nfs/dbraw/zinc/51/94/23/1021519423.db2.gz ZRGLPYRRBZRZHR-QZTJIDSGSA-N 0 3 319.832 3.893 20 10 DHCDHN C[C@H](O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850420619 1021522915 /nfs/dbraw/zinc/52/29/15/1021522915.db2.gz PXYMFRILTRHXQJ-LAUBAEHRSA-N 0 3 324.468 3.889 20 10 DHCDHN COc1cccc(OC)c1CN[C@H](C)c1cc(C)ccc1O ZINC000850505131 1021566232 /nfs/dbraw/zinc/56/62/32/1021566232.db2.gz NOILVSPKXKMVJH-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccccc1[O-] ZINC000850537848 1021593610 /nfs/dbraw/zinc/59/36/10/1021593610.db2.gz AHIINZNXBPAPJM-YJBOKZPZSA-N 0 3 302.462 3.840 20 10 DHCDHN Cc1nc(CN(Cc2ccccc2O)C2CCCC2)c(C)o1 ZINC000851771849 1021995403 /nfs/dbraw/zinc/99/54/03/1021995403.db2.gz QFGGGUVQUZFKKK-UHFFFAOYSA-N 0 3 300.402 3.942 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccnc(Cl)c1 ZINC000122749214 1022033989 /nfs/dbraw/zinc/03/39/89/1022033989.db2.gz MJMXMKSANZNSSA-CYBMUJFWSA-N 0 3 303.837 3.960 20 10 DHCDHN C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183537297 1022176249 /nfs/dbraw/zinc/17/62/49/1022176249.db2.gz DBAHMAUQMYRGLX-AWEZNQCLSA-N 0 3 307.434 3.945 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(-n2cccn2)c1 ZINC000183539296 1022180811 /nfs/dbraw/zinc/18/08/11/1022180811.db2.gz WEAZPRMKYMHTBO-HUUCEWRRSA-N 0 3 307.397 3.990 20 10 DHCDHN Cc1ccc(O)c(CN[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853093713 1022219705 /nfs/dbraw/zinc/21/97/05/1022219705.db2.gz JMORKOAARZYWKQ-KRWDZBQOSA-N 0 3 319.408 3.663 20 10 DHCDHN C[C@@H]1CN(Cc2c(O)ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631262 1022300039 /nfs/dbraw/zinc/30/00/39/1022300039.db2.gz UQQOLVZOYMFBEF-XIKOKIGWSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631262 1022300056 /nfs/dbraw/zinc/30/00/56/1022300056.db2.gz UQQOLVZOYMFBEF-XIKOKIGWSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631262 1022300075 /nfs/dbraw/zinc/30/00/75/1022300075.db2.gz UQQOLVZOYMFBEF-XIKOKIGWSA-N 0 3 321.367 3.790 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c([O-])c1 ZINC000363857612 1022343697 /nfs/dbraw/zinc/34/36/97/1022343697.db2.gz DAFZTYWJRPVLFD-OAHLLOKOSA-N 0 3 321.424 3.952 20 10 DHCDHN C[C@@](CO)(NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000237653844 1022477522 /nfs/dbraw/zinc/47/75/22/1022477522.db2.gz FCORJUBPUXBSKT-NRFANRHFSA-N 0 3 324.468 3.674 20 10 DHCDHN Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179895750 1022569484 /nfs/dbraw/zinc/56/94/84/1022569484.db2.gz FZVHVSNFQJAJFL-QAPCUYQASA-N 0 3 324.424 3.547 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000877828045 1033476594 /nfs/dbraw/zinc/47/65/94/1033476594.db2.gz DOKDYZZJANCYSO-SECBINFHSA-N 0 3 314.282 3.796 20 10 DHCDHN CN(c1ccccc1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180008066 1022603752 /nfs/dbraw/zinc/60/37/52/1022603752.db2.gz RSBMBWWJNUIFRI-UHFFFAOYSA-N 0 3 314.404 3.632 20 10 DHCDHN CCCCCn1cc(CNCc2ccc(N(C)C)cc2)c(C)n1 ZINC000767428093 1022715676 /nfs/dbraw/zinc/71/56/76/1022715676.db2.gz ZUHSOLILZLVWIE-UHFFFAOYSA-N 0 3 314.477 3.738 20 10 DHCDHN COc1cccc(O)c1CN(C)CCOc1ccccc1Cl ZINC000768211685 1022916040 /nfs/dbraw/zinc/91/60/40/1022916040.db2.gz CJSXROHAYFTUPM-UHFFFAOYSA-N 0 3 321.804 3.565 20 10 DHCDHN O=[N+]([O-])c1cc(CN2C3CCC2CC3)ccc1N1CCCCC1 ZINC000768227712 1022927507 /nfs/dbraw/zinc/92/75/07/1022927507.db2.gz GYCZIRGEXYLVOV-UHFFFAOYSA-N 0 3 315.417 3.712 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000768235874 1022931050 /nfs/dbraw/zinc/93/10/50/1022931050.db2.gz AJWHWLJIRUSXSA-AWEZNQCLSA-N 0 3 315.413 3.993 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000768235874 1022931061 /nfs/dbraw/zinc/93/10/61/1022931061.db2.gz AJWHWLJIRUSXSA-AWEZNQCLSA-N 0 3 315.413 3.993 20 10 DHCDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1CO ZINC000857061282 1022941214 /nfs/dbraw/zinc/94/12/14/1022941214.db2.gz NNNZKCDVUUCCDL-BEFAXECRSA-N 0 3 311.425 3.510 20 10 DHCDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1CO ZINC000857061282 1022941225 /nfs/dbraw/zinc/94/12/25/1022941225.db2.gz NNNZKCDVUUCCDL-BEFAXECRSA-N 0 3 311.425 3.510 20 10 DHCDHN COCc1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000768351809 1022950833 /nfs/dbraw/zinc/95/08/33/1022950833.db2.gz KSDBIMRVJQDQDP-UHFFFAOYSA-N 0 3 316.445 3.903 20 10 DHCDHN CCO[C@@H](CN(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000859189642 1033094096 /nfs/dbraw/zinc/09/40/96/1033094096.db2.gz BBZOPQQZOUWCLR-IBGZPJMESA-N 0 3 315.413 3.803 20 10 DHCDHN CCO[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000859189642 1033094105 /nfs/dbraw/zinc/09/41/05/1033094105.db2.gz BBZOPQQZOUWCLR-IBGZPJMESA-N 0 3 315.413 3.803 20 10 DHCDHN CCO[C@@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000859189642 1033094113 /nfs/dbraw/zinc/09/41/13/1033094113.db2.gz BBZOPQQZOUWCLR-IBGZPJMESA-N 0 3 315.413 3.803 20 10 DHCDHN CCO[C@H](CN(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000859189643 1033095431 /nfs/dbraw/zinc/09/54/31/1033095431.db2.gz BBZOPQQZOUWCLR-LJQANCHMSA-N 0 3 315.413 3.803 20 10 DHCDHN CCO[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000859189643 1033095443 /nfs/dbraw/zinc/09/54/43/1033095443.db2.gz BBZOPQQZOUWCLR-LJQANCHMSA-N 0 3 315.413 3.803 20 10 DHCDHN CCO[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000859189643 1033095452 /nfs/dbraw/zinc/09/54/52/1033095452.db2.gz BBZOPQQZOUWCLR-LJQANCHMSA-N 0 3 315.413 3.803 20 10 DHCDHN C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccccc1[O-] ZINC000768872109 1023043964 /nfs/dbraw/zinc/04/39/64/1023043964.db2.gz CXCNVKOCLREBKN-UHFFFAOYSA-N 0 3 311.303 3.923 20 10 DHCDHN C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccccc1[O-] ZINC000768872109 1023043973 /nfs/dbraw/zinc/04/39/73/1023043973.db2.gz CXCNVKOCLREBKN-UHFFFAOYSA-N 0 3 311.303 3.923 20 10 DHCDHN CCOc1ccc(C[N@H+](Cc2ccccn2)C(C)C)c([O-])c1 ZINC000768926145 1023058608 /nfs/dbraw/zinc/05/86/08/1023058608.db2.gz NJJSLJHCUVXUQU-UHFFFAOYSA-N 0 3 300.402 3.597 20 10 DHCDHN CCOc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)c([O-])c1 ZINC000768926145 1023058613 /nfs/dbraw/zinc/05/86/13/1023058613.db2.gz NJJSLJHCUVXUQU-UHFFFAOYSA-N 0 3 300.402 3.597 20 10 DHCDHN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759835361 1023096580 /nfs/dbraw/zinc/09/65/80/1023096580.db2.gz CVHIBWFSZZJCTL-CVEARBPZSA-N 0 3 311.425 3.964 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H](SCC)C2)c([O-])c1 ZINC000769403958 1023141394 /nfs/dbraw/zinc/14/13/94/1023141394.db2.gz LBJFMVIHNRFKTN-MRXNPFEDSA-N 0 3 309.475 3.899 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H](SCC)C2)c([O-])c1 ZINC000769403958 1023141395 /nfs/dbraw/zinc/14/13/95/1023141395.db2.gz LBJFMVIHNRFKTN-MRXNPFEDSA-N 0 3 309.475 3.899 20 10 DHCDHN COc1ccsc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000769968159 1023246490 /nfs/dbraw/zinc/24/64/90/1023246490.db2.gz MVMBENPPCWKDJG-ZDUSSCGKSA-N 0 3 304.459 3.982 20 10 DHCDHN CCOc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)c([O-])c1 ZINC000770305479 1023294215 /nfs/dbraw/zinc/29/42/15/1023294215.db2.gz UAXXQVWSOQIICE-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN CCOc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c([O-])c1 ZINC000770305479 1023294220 /nfs/dbraw/zinc/29/42/20/1023294220.db2.gz UAXXQVWSOQIICE-UHFFFAOYSA-N 0 3 317.351 3.955 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(Cl)nn1)C1CCCC1 ZINC000876721575 1033129044 /nfs/dbraw/zinc/12/90/44/1033129044.db2.gz JOTBXNDODFABAU-UHFFFAOYSA-N 0 3 317.820 3.780 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(Cl)nn1)C1CCCC1 ZINC000876721575 1033129053 /nfs/dbraw/zinc/12/90/53/1033129053.db2.gz JOTBXNDODFABAU-UHFFFAOYSA-N 0 3 317.820 3.780 20 10 DHCDHN Cc1cccc(O)c1CN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000876778917 1033140168 /nfs/dbraw/zinc/14/01/68/1033140168.db2.gz RZBNAXDDRIIHML-CXAGYDPISA-N 0 3 303.427 3.724 20 10 DHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c([O-])c1 ZINC000876771039 1033140933 /nfs/dbraw/zinc/14/09/33/1033140933.db2.gz UBBHYIPDRKTUBN-GOSISDBHSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c([O-])c1 ZINC000876771039 1033140947 /nfs/dbraw/zinc/14/09/47/1033140947.db2.gz UBBHYIPDRKTUBN-GOSISDBHSA-N 0 3 311.425 3.739 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCSC1 ZINC000787041881 1023752635 /nfs/dbraw/zinc/75/26/35/1023752635.db2.gz LXCSYTMJAFDXKY-CQSZACIVSA-N 0 3 303.427 3.741 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCSC1 ZINC000787041881 1023752638 /nfs/dbraw/zinc/75/26/38/1023752638.db2.gz LXCSYTMJAFDXKY-CQSZACIVSA-N 0 3 303.427 3.741 20 10 DHCDHN COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000787332774 1023784380 /nfs/dbraw/zinc/78/43/80/1023784380.db2.gz ORIKMIVFXHGVQJ-MRXNPFEDSA-N 0 3 305.805 3.865 20 10 DHCDHN COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000787332774 1023784383 /nfs/dbraw/zinc/78/43/83/1023784383.db2.gz ORIKMIVFXHGVQJ-MRXNPFEDSA-N 0 3 305.805 3.865 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc(F)ccc1[O-] ZINC000756779547 1023796160 /nfs/dbraw/zinc/79/61/60/1023796160.db2.gz SDHBDIPYYXJXDY-WRESQXIRSA-N 0 3 313.463 3.562 20 10 DHCDHN COc1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000788527463 1023906854 /nfs/dbraw/zinc/90/68/54/1023906854.db2.gz VZEURSVDSYKQIW-HNNXBMFYSA-N 0 3 311.429 3.541 20 10 DHCDHN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000788621572 1023915351 /nfs/dbraw/zinc/91/53/51/1023915351.db2.gz MEVWDWPAEZZOJF-MJXNMMHHSA-N 0 3 317.404 3.940 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c([O-])c1 ZINC000788693333 1023921803 /nfs/dbraw/zinc/92/18/03/1023921803.db2.gz SFFNHEXSVAERGS-HZPDHXFCSA-N 0 3 305.462 3.848 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789758963 1024159319 /nfs/dbraw/zinc/15/93/19/1024159319.db2.gz VFRKGEMQHJVLBW-UHFFFAOYSA-N 0 3 303.352 3.992 20 10 DHCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCCC3)cc2)c(C)n1 ZINC000268827999 1024170989 /nfs/dbraw/zinc/17/09/89/1024170989.db2.gz PYXUUKOSMUJSFU-CQSZACIVSA-N 0 3 310.445 3.544 20 10 DHCDHN CC[C@@H](NCc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000130862314 1024225699 /nfs/dbraw/zinc/22/56/99/1024225699.db2.gz RAJGQPDWZRYKDV-QGZVFWFLSA-N 0 3 312.413 3.722 20 10 DHCDHN CCSc1ccc(C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000883236428 1024308977 /nfs/dbraw/zinc/30/89/77/1024308977.db2.gz ASRXRECZYDWRES-UHFFFAOYSA-N 0 3 303.427 3.803 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000271361117 1024495156 /nfs/dbraw/zinc/49/51/56/1024495156.db2.gz NHEOKKAHCQYVOL-MJGOQNOKSA-N 0 3 315.388 3.619 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000271361117 1024495162 /nfs/dbraw/zinc/49/51/62/1024495162.db2.gz NHEOKKAHCQYVOL-MJGOQNOKSA-N 0 3 315.388 3.619 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000132802737 1024508201 /nfs/dbraw/zinc/50/82/01/1024508201.db2.gz MUYCQLVRGSSQJJ-WMZOPIPTSA-N 0 3 310.441 3.707 20 10 DHCDHN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000271599142 1024548594 /nfs/dbraw/zinc/54/85/94/1024548594.db2.gz ZKZBJDZLZCVTCV-BBRMVZONSA-N 0 3 315.465 3.796 20 10 DHCDHN C[C@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000283478640 1024672565 /nfs/dbraw/zinc/67/25/65/1024672565.db2.gz WXUOIFIAMPCVJB-SUMWQHHRSA-N 0 3 318.848 3.999 20 10 DHCDHN COc1ccc(OC(F)F)c(CNCc2ccc(C)cc2O)c1 ZINC000877085332 1033233890 /nfs/dbraw/zinc/23/38/90/1033233890.db2.gz SMMFIPICCQIHJI-UHFFFAOYSA-N 0 3 323.339 3.600 20 10 DHCDHN CCCN(CCC)c1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000793254513 1024968541 /nfs/dbraw/zinc/96/85/41/1024968541.db2.gz BQQOFMSPASRCIX-UHFFFAOYSA-N 0 3 313.445 3.703 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000793320469 1024989412 /nfs/dbraw/zinc/98/94/12/1024989412.db2.gz DNGRMUVQQJQPCD-LJQANCHMSA-N 0 3 311.425 3.700 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCc3ccccc32)c([O-])c1 ZINC000320167180 1025016189 /nfs/dbraw/zinc/01/61/89/1025016189.db2.gz LZYBEBGVEBPYAQ-MRXNPFEDSA-N 0 3 310.441 3.804 20 10 DHCDHN COc1ccc(C[NH2+]Cc2c(C)cc(Cl)cc2C)c([O-])c1 ZINC000793389612 1025031084 /nfs/dbraw/zinc/03/10/84/1025031084.db2.gz KKVMPQAMQQIZJH-UHFFFAOYSA-N 0 3 305.805 3.961 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279564976 1025075105 /nfs/dbraw/zinc/07/51/05/1025075105.db2.gz SDXQJECPEVBPGH-QLJPJBMISA-N 0 3 309.768 3.569 20 10 DHCDHN C[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279564974 1025076997 /nfs/dbraw/zinc/07/69/97/1025076997.db2.gz SDXQJECPEVBPGH-QFYYESIMSA-N 0 3 309.768 3.569 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000318990455 1025128388 /nfs/dbraw/zinc/12/83/88/1025128388.db2.gz AUWTTYMAUJWOKO-LLVKDONJSA-N 0 3 316.788 3.777 20 10 DHCDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1[O-] ZINC001170451572 1025298261 /nfs/dbraw/zinc/29/82/61/1025298261.db2.gz ZFBQKWNYIHKMMT-INIZCTEOSA-N 0 3 313.397 3.574 20 10 DHCDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccccc1[O-] ZINC001170451572 1025298271 /nfs/dbraw/zinc/29/82/71/1025298271.db2.gz ZFBQKWNYIHKMMT-INIZCTEOSA-N 0 3 313.397 3.574 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464658 1025367904 /nfs/dbraw/zinc/36/79/04/1025367904.db2.gz NTDOIBKRGFCFMG-CYBMUJFWSA-N 0 3 300.358 3.502 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336917 1033285803 /nfs/dbraw/zinc/28/58/03/1033285803.db2.gz QCONKIUQJYWBKG-LPHOPBHVSA-N 0 3 315.388 3.850 20 10 DHCDHN COc1cc(C)cc(CN(C)[C@H](C)c2sc(C)nc2C)c1O ZINC000894014921 1025657204 /nfs/dbraw/zinc/65/72/04/1025657204.db2.gz USKXZCLQRMYLGV-GFCCVEGCSA-N 0 3 320.458 3.976 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccc(Cl)c1[O-] ZINC000806132718 1025777487 /nfs/dbraw/zinc/77/74/87/1025777487.db2.gz YYYXNOGWZJCEAN-CZUORRHYSA-N 0 3 310.869 3.818 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806135469 1025778720 /nfs/dbraw/zinc/77/87/20/1025778720.db2.gz KPBIVDRIWCJWBI-AWEZNQCLSA-N 0 3 319.811 3.717 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180096 1025833238 /nfs/dbraw/zinc/83/32/38/1025833238.db2.gz JUIZUJDQKULYCO-RHSMWYFYSA-N 0 3 319.832 3.862 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cnn(C2CCC2)c1 ZINC000924872037 1025958879 /nfs/dbraw/zinc/95/88/79/1025958879.db2.gz QELUAJAVXOPYEI-OAHLLOKOSA-N 0 3 324.472 3.841 20 10 DHCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCCC2 ZINC000236975774 1025961427 /nfs/dbraw/zinc/96/14/27/1025961427.db2.gz QIYKNGAEJWHXEZ-MSOLQXFVSA-N 0 3 319.445 3.618 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000248623124 1025980477 /nfs/dbraw/zinc/98/04/77/1025980477.db2.gz BIVVVKWCZQYEJN-IQUTYRLHSA-N 0 3 316.420 3.873 20 10 DHCDHN COc1ccccc1[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894141570 1026154905 /nfs/dbraw/zinc/15/49/05/1026154905.db2.gz UMPSKVZCMCUKBM-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccc(C)cc1O ZINC000279966071 1026285713 /nfs/dbraw/zinc/28/57/13/1026285713.db2.gz CPHXHBCBYBVJEF-QGZVFWFLSA-N 0 3 309.413 3.898 20 10 DHCDHN COc1cc(C)cc(CNCc2ccccc2OC(C)C)c1O ZINC000894198476 1026344152 /nfs/dbraw/zinc/34/41/52/1026344152.db2.gz BEIJNGRWKGBISM-UHFFFAOYSA-N 0 3 315.413 3.786 20 10 DHCDHN Cc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808694397 1026350213 /nfs/dbraw/zinc/35/02/13/1026350213.db2.gz CKMGMCBJSWMGJI-CYBMUJFWSA-N 0 3 304.821 3.951 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1[O-] ZINC000808672155 1026352825 /nfs/dbraw/zinc/35/28/25/1026352825.db2.gz FJYRLOXRLLNOJE-BLLLJJGKSA-N 0 3 305.805 3.738 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c1[O-] ZINC000808673743 1026353511 /nfs/dbraw/zinc/35/35/11/1026353511.db2.gz SRLWSAQUPQTTQH-GFCCVEGCSA-N 0 3 308.853 3.631 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1[O-] ZINC000808678042 1026356234 /nfs/dbraw/zinc/35/62/34/1026356234.db2.gz IXYZJYBYURRDAM-KBPBESRZSA-N 0 3 310.869 3.879 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(C)cc1[O-] ZINC000808727754 1026357828 /nfs/dbraw/zinc/35/78/28/1026357828.db2.gz JMMRHXFOJDIUEH-DOTOQJQBSA-N 0 3 315.388 3.884 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1[O-] ZINC000808695961 1026373973 /nfs/dbraw/zinc/37/39/73/1026373973.db2.gz MIHSHKHVWYSEQF-CZUORRHYSA-N 0 3 319.832 3.608 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNc2ccccn2)c1[O-] ZINC000808698957 1026376373 /nfs/dbraw/zinc/37/63/73/1026376373.db2.gz NXCHRPIMKOUMMA-GFCCVEGCSA-N 0 3 305.809 3.512 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](=O)CC)C1)c1ccc(C)cc1[O-] ZINC000279975844 1026476700 /nfs/dbraw/zinc/47/67/00/1026476700.db2.gz DHVZIZOBYQFQJC-AAFXUOQASA-N 0 3 323.502 3.821 20 10 DHCDHN COc1ccc(C[NH2+][C@H](C)CCc2ccc(F)cc2F)c([O-])c1 ZINC000809658466 1026585198 /nfs/dbraw/zinc/58/51/98/1026585198.db2.gz ODUPOPLXVPUURC-GFCCVEGCSA-N 0 3 321.367 3.790 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(C)cc1[O-] ZINC000280117679 1026590466 /nfs/dbraw/zinc/59/04/66/1026590466.db2.gz OCAFPMSYLIFEPB-KRWDZBQOSA-N 0 3 303.377 3.573 20 10 DHCDHN COc1cccc(CNCc2cc(Cl)ccc2Cl)c1O ZINC000809739664 1026611547 /nfs/dbraw/zinc/61/15/47/1026611547.db2.gz BEDAOANWJIWJRQ-UHFFFAOYSA-N 0 3 312.196 3.997 20 10 DHCDHN C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765519 1026620916 /nfs/dbraw/zinc/62/09/16/1026620916.db2.gz NSEGANLEUGTAJA-JXFKEZNVSA-N 0 3 324.468 3.831 20 10 DHCDHN C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809765519 1026620922 /nfs/dbraw/zinc/62/09/22/1026620922.db2.gz NSEGANLEUGTAJA-JXFKEZNVSA-N 0 3 324.468 3.831 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280272609 1026624672 /nfs/dbraw/zinc/62/46/72/1026624672.db2.gz YAMXTIQYGNITLI-AAEUAGOBSA-N 0 3 305.340 3.709 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(C)cc1[O-] ZINC000280291839 1026626640 /nfs/dbraw/zinc/62/66/40/1026626640.db2.gz ZGOKZMRMVNHTGS-KRWDZBQOSA-N 0 3 322.412 3.522 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1[O-] ZINC000809792359 1026629651 /nfs/dbraw/zinc/62/96/51/1026629651.db2.gz SORCJAMOHMVBES-OAHLLOKOSA-N 0 3 321.779 3.586 20 10 DHCDHN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000810172998 1026693863 /nfs/dbraw/zinc/69/38/63/1026693863.db2.gz UEPIZPMFHLPTBS-MRXNPFEDSA-N 0 3 312.457 3.878 20 10 DHCDHN COc1cccc(C2(C[NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000810239955 1026725909 /nfs/dbraw/zinc/72/59/09/1026725909.db2.gz KWFIFJDGTYSVMP-CYBMUJFWSA-N 0 3 315.388 3.922 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811518439 1027020183 /nfs/dbraw/zinc/02/01/83/1027020183.db2.gz KMHUVLYLQLKKHI-RDJZCZTQSA-N 0 3 321.848 3.888 20 10 DHCDHN CCN(CC)c1ccc(CNCc2ccncc2C)cc1F ZINC000295299849 1027188679 /nfs/dbraw/zinc/18/86/79/1027188679.db2.gz XPLJYBCWNZNERJ-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN CCOc1ccc(O)c(CN2CC(c3ccccc3F)C2)c1 ZINC000812790617 1027407908 /nfs/dbraw/zinc/40/79/08/1027407908.db2.gz ARHGSZVLQFABEZ-UHFFFAOYSA-N 0 3 301.361 3.529 20 10 DHCDHN CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295861735 1027465356 /nfs/dbraw/zinc/46/53/56/1027465356.db2.gz GPSUDLLMOTVMQS-QGZVFWFLSA-N 0 3 324.424 3.764 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2cccc(C(F)(F)F)n2)c1 ZINC000296437134 1027635612 /nfs/dbraw/zinc/63/56/12/1027635612.db2.gz MDKXZFITTHTRTM-NSHDSACASA-N 0 3 310.319 3.965 20 10 DHCDHN COC[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 ZINC000296854949 1027744149 /nfs/dbraw/zinc/74/41/49/1027744149.db2.gz NLBALKIZWVNPGB-CVEARBPZSA-N 0 3 319.351 3.635 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(F)ccc1[O-] ZINC000813883850 1027751511 /nfs/dbraw/zinc/75/15/11/1027751511.db2.gz OWCQJANXOLSYAU-TZMCWYRMSA-N 0 3 318.367 3.600 20 10 DHCDHN CCc1nccn1[C@H]1CCC[N@@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000364622940 1027854540 /nfs/dbraw/zinc/85/45/40/1027854540.db2.gz MLHLWJXPJVYNJZ-DOTOQJQBSA-N 0 3 313.445 3.939 20 10 DHCDHN CCc1nccn1[C@H]1CCC[N@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000364622940 1027854548 /nfs/dbraw/zinc/85/45/48/1027854548.db2.gz MLHLWJXPJVYNJZ-DOTOQJQBSA-N 0 3 313.445 3.939 20 10 DHCDHN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000527766721 1027885401 /nfs/dbraw/zinc/88/54/01/1027885401.db2.gz PYHUSGXMTVYVTN-FXAWDEMLSA-N 0 3 309.409 3.716 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365623109 1027986158 /nfs/dbraw/zinc/98/61/58/1027986158.db2.gz PQZXSOBAFFXADT-NJAFHUGGSA-N 0 3 301.430 3.877 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365623109 1027986175 /nfs/dbraw/zinc/98/61/75/1027986175.db2.gz PQZXSOBAFFXADT-NJAFHUGGSA-N 0 3 301.430 3.877 20 10 DHCDHN CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779074435 1028166622 /nfs/dbraw/zinc/16/66/22/1028166622.db2.gz SPHDDNIDAZTAHK-QWRGUYRKSA-N 0 3 316.239 3.539 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000779088276 1028213669 /nfs/dbraw/zinc/21/36/69/1028213669.db2.gz SBGQYGADIVJJQK-KRWDZBQOSA-N 0 3 303.402 3.652 20 10 DHCDHN CCCCCn1cc(C[NH2+]Cc2cc(F)ccc2[O-])c(C)n1 ZINC000779103457 1028260199 /nfs/dbraw/zinc/26/01/99/1028260199.db2.gz ICLQXJUUKIXZOA-UHFFFAOYSA-N 0 3 305.397 3.516 20 10 DHCDHN CCN(C)c1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000815120009 1028366121 /nfs/dbraw/zinc/36/61/21/1028366121.db2.gz LZPTYLXJNNBRLU-ROUUACIJSA-N 0 3 302.462 3.532 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CCc1cc2ccccc2s1 ZINC000815148919 1028402740 /nfs/dbraw/zinc/40/27/40/1028402740.db2.gz QCXRAGXIBRAKOO-UHFFFAOYSA-N 0 3 313.422 3.948 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1[O-] ZINC000368819702 1028415318 /nfs/dbraw/zinc/41/53/18/1028415318.db2.gz XBDKDTAELKUHBX-CYBMUJFWSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1[O-] ZINC000368819702 1028415322 /nfs/dbraw/zinc/41/53/22/1028415322.db2.gz XBDKDTAELKUHBX-CYBMUJFWSA-N 0 3 309.837 3.745 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000369652113 1028516170 /nfs/dbraw/zinc/51/61/70/1028516170.db2.gz BZGNXBDQBZSKCZ-SJORKVTESA-N 0 3 310.441 3.959 20 10 DHCDHN CCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])c(C)c1 ZINC000188795441 1028532291 /nfs/dbraw/zinc/53/22/91/1028532291.db2.gz VGTKOCBGXIIHOT-UHFFFAOYSA-N 0 3 315.413 3.788 20 10 DHCDHN CC(C)[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815580575 1028554592 /nfs/dbraw/zinc/55/45/92/1028554592.db2.gz MRMGHWZHVNZWDG-QUCCMNQESA-N 0 3 313.441 3.673 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000815648466 1028591570 /nfs/dbraw/zinc/59/15/70/1028591570.db2.gz NFHSHISBRRNEIG-WMZOPIPTSA-N 0 3 305.462 3.930 20 10 DHCDHN CC(C)N1CCC([N@H+](C)Cc2ccc3ccccc3c2[O-])CC1 ZINC000816484143 1028893715 /nfs/dbraw/zinc/89/37/15/1028893715.db2.gz QPFMSYADTMHSMP-UHFFFAOYSA-N 0 3 312.457 3.850 20 10 DHCDHN CC(C)N1CCC([N@@H+](C)Cc2ccc3ccccc3c2[O-])CC1 ZINC000816484143 1028893739 /nfs/dbraw/zinc/89/37/39/1028893739.db2.gz QPFMSYADTMHSMP-UHFFFAOYSA-N 0 3 312.457 3.850 20 10 DHCDHN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000816542108 1028926174 /nfs/dbraw/zinc/92/61/74/1028926174.db2.gz DBROHMLVUWCBPY-UHFFFAOYSA-N 0 3 312.457 3.900 20 10 DHCDHN C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610050 1028960539 /nfs/dbraw/zinc/96/05/39/1028960539.db2.gz WKUOGVJKJDFBCF-HNAYVOBHSA-N 0 3 310.441 3.604 20 10 DHCDHN C[C@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816610050 1028960543 /nfs/dbraw/zinc/96/05/43/1028960543.db2.gz WKUOGVJKJDFBCF-HNAYVOBHSA-N 0 3 310.441 3.604 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000155230935 1029205232 /nfs/dbraw/zinc/20/52/32/1029205232.db2.gz KLHCMJVSJJZMAF-ZWKOTPCHSA-N 0 3 316.420 3.875 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000865699360 1029980895 /nfs/dbraw/zinc/98/08/95/1029980895.db2.gz XSZFRZXQKXMKSW-UHFFFAOYSA-N 0 3 307.434 3.617 20 10 DHCDHN CCOc1ccc(C[NH2+]CCSCCC(F)(F)F)c([O-])c1 ZINC000865788648 1030027243 /nfs/dbraw/zinc/02/72/43/1030027243.db2.gz VIEUGTWFQFIJKF-UHFFFAOYSA-N 0 3 323.380 3.566 20 10 DHCDHN CCOc1cccc(CNCc2ccc(C(C)(C)C)o2)c1O ZINC000865815225 1030039070 /nfs/dbraw/zinc/03/90/70/1030039070.db2.gz WQCRHSQGSZMQAP-UHFFFAOYSA-N 0 3 303.402 3.971 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccccc2OC)c([O-])c1 ZINC000865820704 1030040248 /nfs/dbraw/zinc/04/02/48/1030040248.db2.gz AAMNTWSJJNZYPL-CYBMUJFWSA-N 0 3 301.386 3.650 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c([O-])c1 ZINC000866484992 1030322379 /nfs/dbraw/zinc/32/23/79/1030322379.db2.gz BZEJPLNCNGFHRQ-NWDGAFQWSA-N 0 3 312.369 3.959 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cc3cccnc3o2)cc1 ZINC000823671622 1030362398 /nfs/dbraw/zinc/36/23/98/1030362398.db2.gz QZWKYZQDPGWFRW-UHFFFAOYSA-N 0 3 309.413 3.964 20 10 DHCDHN Oc1cccc2c1[C@H](NCc1ccc(OC(F)F)cc1F)CC2 ZINC000866541692 1030363242 /nfs/dbraw/zinc/36/32/42/1030363242.db2.gz RAENMGKHEOKPTF-CQSZACIVSA-N 0 3 323.314 3.910 20 10 DHCDHN COC[C@@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576522 1030584262 /nfs/dbraw/zinc/58/42/62/1030584262.db2.gz MZJFGFKAWBHNOV-FQEVSTJZSA-N 0 3 311.425 3.918 20 10 DHCDHN COC[C@@]1(C)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824576522 1030584276 /nfs/dbraw/zinc/58/42/76/1030584276.db2.gz MZJFGFKAWBHNOV-FQEVSTJZSA-N 0 3 311.425 3.918 20 10 DHCDHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636111 1030597741 /nfs/dbraw/zinc/59/77/41/1030597741.db2.gz LVXGCQAUGUCLAG-IEBWSBKVSA-N 0 3 311.425 3.652 20 10 DHCDHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824636111 1030597744 /nfs/dbraw/zinc/59/77/44/1030597744.db2.gz LVXGCQAUGUCLAG-IEBWSBKVSA-N 0 3 311.425 3.652 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824695763 1030614231 /nfs/dbraw/zinc/61/42/31/1030614231.db2.gz CJRNXQCDICPTJG-BRWVUGGUSA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824695763 1030614243 /nfs/dbraw/zinc/61/42/43/1030614243.db2.gz CJRNXQCDICPTJG-BRWVUGGUSA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824695764 1030614460 /nfs/dbraw/zinc/61/44/60/1030614460.db2.gz CJRNXQCDICPTJG-GVDBMIGSSA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824695764 1030614470 /nfs/dbraw/zinc/61/44/70/1030614470.db2.gz CJRNXQCDICPTJG-GVDBMIGSSA-N 0 3 323.864 3.870 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000824750771 1030638605 /nfs/dbraw/zinc/63/86/05/1030638605.db2.gz OGFGUUCQCUJGKY-ZDUSSCGKSA-N 0 3 309.837 3.793 20 10 DHCDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856242 1030655684 /nfs/dbraw/zinc/65/56/84/1030655684.db2.gz UKZTVLQZXCAQCB-CZUORRHYSA-N 0 3 310.869 3.516 20 10 DHCDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856242 1030655692 /nfs/dbraw/zinc/65/56/92/1030655692.db2.gz UKZTVLQZXCAQCB-CZUORRHYSA-N 0 3 310.869 3.516 20 10 DHCDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824888543 1030668221 /nfs/dbraw/zinc/66/82/21/1030668221.db2.gz FZEIQLCRRJANHG-AWEZNQCLSA-N 0 3 310.869 3.518 20 10 DHCDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824888543 1030668229 /nfs/dbraw/zinc/66/82/29/1030668229.db2.gz FZEIQLCRRJANHG-AWEZNQCLSA-N 0 3 310.869 3.518 20 10 DHCDHN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1c(C)nn(C)c1C ZINC000122811585 1030885034 /nfs/dbraw/zinc/88/50/34/1030885034.db2.gz GJUHOULIYVWSHG-GOSISDBHSA-N 0 3 314.477 3.652 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926915713 1030990156 /nfs/dbraw/zinc/99/01/56/1030990156.db2.gz LVEIJDHLYBQQKQ-COPLHBTASA-N 0 3 303.324 3.543 20 10 DHCDHN Cc1nnsc1CN(Cc1ccccc1O)C1CCCCC1 ZINC000844295833 1031050753 /nfs/dbraw/zinc/05/07/53/1031050753.db2.gz FTUSVAYWKFUBND-UHFFFAOYSA-N 0 3 317.458 3.887 20 10 DHCDHN C[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000927115163 1031099799 /nfs/dbraw/zinc/09/97/99/1031099799.db2.gz JEBLBGNYGXPXCQ-ORAYPTAESA-N 0 3 315.388 3.886 20 10 DHCDHN Cc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)ccc1N1CCCCC1 ZINC000844464594 1031161442 /nfs/dbraw/zinc/16/14/42/1031161442.db2.gz XOTTVGLNTUZWNP-IYBDPMFKSA-N 0 3 306.400 3.682 20 10 DHCDHN Cc1nccnc1[C@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000872132459 1031525284 /nfs/dbraw/zinc/52/52/84/1031525284.db2.gz FXFPKKUFKNRWFJ-GAFUQQFSSA-N 0 3 301.365 3.529 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000872133931 1031529096 /nfs/dbraw/zinc/52/90/96/1031529096.db2.gz UABYBURQDJKRAB-PUECVXPYSA-N 0 3 303.377 3.694 20 10 DHCDHN C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000293602098 1031533764 /nfs/dbraw/zinc/53/37/64/1031533764.db2.gz DLKFZVJKRBBPON-LLVKDONJSA-N 0 3 310.319 3.699 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000293748310 1031597805 /nfs/dbraw/zinc/59/78/05/1031597805.db2.gz NZHZUOFTHMQDTN-IEBWSBKVSA-N 0 3 311.425 3.692 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2[O-] ZINC000873289195 1031790701 /nfs/dbraw/zinc/79/07/01/1031790701.db2.gz QVAUVYJIHLIQQZ-LKFCYVNXSA-N 0 3 304.340 3.591 20 10 DHCDHN C[C@@H](NCc1cccc2c1OC(F)(F)O2)c1ccccc1O ZINC000845990274 1031792461 /nfs/dbraw/zinc/79/24/61/1031792461.db2.gz NBCCCLDRNLYLJT-SNVBAGLBSA-N 0 3 307.296 3.565 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1ccccc1[O-] ZINC000845990274 1031792480 /nfs/dbraw/zinc/79/24/80/1031792480.db2.gz NBCCCLDRNLYLJT-SNVBAGLBSA-N 0 3 307.296 3.565 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1[O-] ZINC000846033849 1031823868 /nfs/dbraw/zinc/82/38/68/1031823868.db2.gz BNPYLQKFKRZMLF-UGSOOPFHSA-N 0 3 319.832 3.740 20 10 DHCDHN CCOc1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC000846101391 1031872746 /nfs/dbraw/zinc/87/27/46/1031872746.db2.gz BTKHYRYRVSNZLN-GFCCVEGCSA-N 0 3 318.244 3.855 20 10 DHCDHN CCc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000846101078 1031876139 /nfs/dbraw/zinc/87/61/39/1031876139.db2.gz YMWPYTFHAOENAY-UHFFFAOYSA-N 0 3 305.805 3.906 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1O ZINC000846150279 1031886432 /nfs/dbraw/zinc/88/64/32/1031886432.db2.gz CSEPXAABAVJREE-XHDPSFHLSA-N 0 3 317.360 3.714 20 10 DHCDHN COCC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161902 1031892213 /nfs/dbraw/zinc/89/22/13/1031892213.db2.gz HEVXSSFSPXBHRY-UKRRQHHQSA-N 0 3 319.401 3.731 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccc(Cl)cc2OC)c1O ZINC000846146651 1031909604 /nfs/dbraw/zinc/90/96/04/1031909604.db2.gz RVYSZFKUADQMEW-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN Cc1cnc(C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)s1 ZINC000877477736 1033312784 /nfs/dbraw/zinc/31/27/84/1033312784.db2.gz GOWNCZRCIARHET-UHFFFAOYSA-N 0 3 302.443 3.845 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2cccc3c2CCOC3)c1[O-] ZINC000877698112 1033411960 /nfs/dbraw/zinc/41/19/60/1033411960.db2.gz PVSUVVFBWSPJEF-UHFFFAOYSA-N 0 3 317.816 3.717 20 10 DHCDHN Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000877757218 1033435060 /nfs/dbraw/zinc/43/50/60/1033435060.db2.gz OWZLDLRCJWVCKN-GJZGRUSLSA-N 0 3 312.413 3.769 20 10 DHCDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1O ZINC000877757196 1033435439 /nfs/dbraw/zinc/43/54/39/1033435439.db2.gz NGGVEMLNOOMZTC-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN C[C@@H]([NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1[O-] ZINC000877756600 1033435590 /nfs/dbraw/zinc/43/55/90/1033435590.db2.gz WXUHBMBKCQIAOL-LLVKDONJSA-N 0 3 313.426 3.830 20 10 DHCDHN Cc1cn2c(nc(C)c2C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000877757359 1033435605 /nfs/dbraw/zinc/43/56/05/1033435605.db2.gz STJVDVKMZSHCIK-NSHDSACASA-N 0 3 301.415 3.569 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000877811963 1033459701 /nfs/dbraw/zinc/45/97/01/1033459701.db2.gz DFXNRYFWRMYCPD-CQSZACIVSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000877811963 1033459707 /nfs/dbraw/zinc/45/97/07/1033459707.db2.gz DFXNRYFWRMYCPD-CQSZACIVSA-N 0 3 303.324 3.565 20 10 DHCDHN CC[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccc(C)cc1[O-] ZINC000927070992 1033522555 /nfs/dbraw/zinc/52/25/55/1033522555.db2.gz RMIAXUITUWNIBT-AEFFLSMTSA-N 0 3 301.434 3.872 20 10 DHCDHN C[C@@]1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCS1 ZINC000862212093 1033780023 /nfs/dbraw/zinc/78/00/23/1033780023.db2.gz GMNYWQMXVDUDSV-WMZOPIPTSA-N 0 3 321.486 3.659 20 10 DHCDHN C[C@@]1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCS1 ZINC000862212093 1033780039 /nfs/dbraw/zinc/78/00/39/1033780039.db2.gz GMNYWQMXVDUDSV-WMZOPIPTSA-N 0 3 321.486 3.659 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1[O-] ZINC000862435742 1033850148 /nfs/dbraw/zinc/85/01/48/1033850148.db2.gz JWKQMXVDRRKGMS-KRWDZBQOSA-N 0 3 317.816 3.585 20 10 DHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473036 1033863855 /nfs/dbraw/zinc/86/38/55/1033863855.db2.gz BFPXTUZSCHQZPF-OLZOCXBDSA-N 0 3 313.850 3.524 20 10 DHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473036 1033863867 /nfs/dbraw/zinc/86/38/67/1033863867.db2.gz BFPXTUZSCHQZPF-OLZOCXBDSA-N 0 3 313.850 3.524 20 10 DHCDHN Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649347 1034070172 /nfs/dbraw/zinc/07/01/72/1034070172.db2.gz QRTVMMGPJWWXRT-CHWSQXEVSA-N 0 3 316.376 3.518 20 10 DHCDHN CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879647851 1034070812 /nfs/dbraw/zinc/07/08/12/1034070812.db2.gz NUJIIVBKMKOPCU-CQSZACIVSA-N 0 3 312.413 3.805 20 10 DHCDHN Cc1ccc2c(C[NH2+][C@H](C)c3ccccc3[O-])cc(=O)oc2c1C ZINC000879648684 1034071074 /nfs/dbraw/zinc/07/10/74/1034071074.db2.gz ZDDXRIFYXVXFJS-CQSZACIVSA-N 0 3 323.392 3.966 20 10 DHCDHN CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879653317 1034074154 /nfs/dbraw/zinc/07/41/54/1034074154.db2.gz NUJIIVBKMKOPCU-AWEZNQCLSA-N 0 3 312.413 3.805 20 10 DHCDHN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000863543080 1034123599 /nfs/dbraw/zinc/12/35/99/1034123599.db2.gz KIJUVNWIIREIJD-HZSPNIEDSA-N 0 3 316.367 3.592 20 10 DHCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1C(C)C ZINC000794647378 1034313740 /nfs/dbraw/zinc/31/37/40/1034313740.db2.gz OYXFFVMKRZQSAW-KUHUBIRLSA-N 0 3 303.446 3.823 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000179574108 1034317563 /nfs/dbraw/zinc/31/75/63/1034317563.db2.gz OBFUBUXEKQIJPU-UHFFFAOYSA-N 0 3 311.425 3.821 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000179574108 1034317579 /nfs/dbraw/zinc/31/75/79/1034317579.db2.gz OBFUBUXEKQIJPU-UHFFFAOYSA-N 0 3 311.425 3.821 20 10 DHCDHN CCOCc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000179802870 1034336271 /nfs/dbraw/zinc/33/62/71/1034336271.db2.gz JNLOEHNZTFRYTC-UHFFFAOYSA-N 0 3 315.413 3.569 20 10 DHCDHN CCOCc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000179802870 1034336281 /nfs/dbraw/zinc/33/62/81/1034336281.db2.gz JNLOEHNZTFRYTC-UHFFFAOYSA-N 0 3 315.413 3.569 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000183451454 1034388574 /nfs/dbraw/zinc/38/85/74/1034388574.db2.gz QLSUPKGLXCKYPC-HUUCEWRRSA-N 0 3 324.424 3.931 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794791262 1034463445 /nfs/dbraw/zinc/46/34/45/1034463445.db2.gz HHNBCWVRMZXRBF-SFHVURJKSA-N 0 3 315.413 3.829 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000794797853 1034470243 /nfs/dbraw/zinc/47/02/43/1034470243.db2.gz QIUUPANSYYDWRQ-SFHVURJKSA-N 0 3 312.413 3.900 20 10 DHCDHN CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(C)cc1[O-] ZINC000794798253 1034470962 /nfs/dbraw/zinc/47/09/62/1034470962.db2.gz UIIPJBSBXFAYFZ-KRWDZBQOSA-N 0 3 318.461 3.580 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C)cc1[O-] ZINC000794804206 1034486494 /nfs/dbraw/zinc/48/64/94/1034486494.db2.gz TZFMQZFZSSOCMJ-INIZCTEOSA-N 0 3 314.385 3.892 20 10 DHCDHN CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C)cc1[O-] ZINC000794804208 1034486869 /nfs/dbraw/zinc/48/68/69/1034486869.db2.gz TZFMQZFZSSOCMJ-MRXNPFEDSA-N 0 3 314.385 3.892 20 10 DHCDHN COc1cc(Cl)cc(CN(C)[C@@H](C)c2ccncc2)c1O ZINC000184744936 1034498240 /nfs/dbraw/zinc/49/82/40/1034498240.db2.gz YSZUCKOHCDNIIS-NSHDSACASA-N 0 3 306.793 3.642 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000184918534 1034511642 /nfs/dbraw/zinc/51/16/42/1034511642.db2.gz HYVRLZVELMXIKO-MGPLVRAMSA-N 0 3 309.768 3.569 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c([O-])c1 ZINC000184973484 1034515534 /nfs/dbraw/zinc/51/55/34/1034515534.db2.gz VLIFICFBSPDAAR-HNNXBMFYSA-N 0 3 311.429 3.547 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794813022 1034520696 /nfs/dbraw/zinc/52/06/96/1034520696.db2.gz ARXYTCSGYVTNIO-SNRMKQJTSA-N 0 3 313.441 3.733 20 10 DHCDHN CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185010089 1034522909 /nfs/dbraw/zinc/52/29/09/1034522909.db2.gz HDQMUVALWLYTMF-GFCCVEGCSA-N 0 3 319.376 3.789 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000794814763 1034525689 /nfs/dbraw/zinc/52/56/89/1034525689.db2.gz IMRYFUHXAINBCW-VGOFRKELSA-N 0 3 317.454 3.679 20 10 DHCDHN CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cn1 ZINC000185085401 1034526238 /nfs/dbraw/zinc/52/62/38/1034526238.db2.gz VHMNNJYSBFZBHG-OAHLLOKOSA-N 0 3 313.445 3.793 20 10 DHCDHN C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cc(F)ccc1[O-] ZINC000185152151 1034533142 /nfs/dbraw/zinc/53/31/42/1034533142.db2.gz GLWZWPITLORCKM-LBPRGKRZSA-N 0 3 313.376 3.691 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817140 1034534855 /nfs/dbraw/zinc/53/48/55/1034534855.db2.gz PKLNUVMHKGSZBY-IEBWSBKVSA-N 0 3 317.404 3.788 20 10 DHCDHN CCC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccnc1 ZINC000185232299 1034534971 /nfs/dbraw/zinc/53/49/71/1034534971.db2.gz ZURFYUHNUHRDIS-QGZVFWFLSA-N 0 3 301.409 3.918 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1[O-] ZINC000185232658 1034536221 /nfs/dbraw/zinc/53/62/21/1034536221.db2.gz HJLKOVMZKSIRPV-NSHDSACASA-N 0 3 306.356 3.587 20 10 DHCDHN C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185840641 1034580928 /nfs/dbraw/zinc/58/09/28/1034580928.db2.gz KEXDXIKBPLYUFZ-ZETOZRRWSA-N 0 3 309.406 3.756 20 10 DHCDHN C[C@H](N[C@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532536 1034637835 /nfs/dbraw/zinc/63/78/35/1034637835.db2.gz STYNFEHZFOXTNF-SUMWQHHRSA-N 0 3 315.413 3.638 20 10 DHCDHN C[C@@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1[O-] ZINC000186518304 1034639383 /nfs/dbraw/zinc/63/93/83/1034639383.db2.gz UGACFSIQHDCTFH-RBSFLKMASA-N 0 3 320.452 3.835 20 10 DHCDHN CCCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1C ZINC001177483324 1035372616 /nfs/dbraw/zinc/37/26/16/1035372616.db2.gz MVSRULMFMVQKFE-AZUAARDMSA-N 0 3 311.425 3.532 20 10 DHCDHN CN(C)c1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1F ZINC001177651478 1035387328 /nfs/dbraw/zinc/38/73/28/1035387328.db2.gz YCVCLSONSUWUNM-KRWDZBQOSA-N 0 3 302.368 3.808 20 10 DHCDHN CN(C)c1cc(F)c(CNCCCNc2ccccc2)cc1F ZINC001177905861 1035398058 /nfs/dbraw/zinc/39/80/58/1035398058.db2.gz ULEZPVSWVVVNES-UHFFFAOYSA-N 0 3 319.399 3.623 20 10 DHCDHN Cc1nc(C)c([C@@H](C)NCc2ccc3c(c2)CCCN3C)s1 ZINC000195287447 1035522329 /nfs/dbraw/zinc/52/23/29/1035522329.db2.gz VRKALUWZLODBEK-GFCCVEGCSA-N 0 3 315.486 3.993 20 10 DHCDHN CCCCN(Cc1ccccc1O)[C@@H](C(=O)OC)[C@@H](C)CC ZINC001193840259 1035735504 /nfs/dbraw/zinc/73/55/04/1035735504.db2.gz YAEAEGWPTSHGPC-WMLDXEAASA-N 0 3 307.434 3.582 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)c2c1c(F)ccc2[O-] ZINC000774380184 1036307605 /nfs/dbraw/zinc/30/76/05/1036307605.db2.gz RKRJSRSJQHPBNV-XNRPHZJLSA-N 0 3 318.436 3.686 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000774400336 1036319600 /nfs/dbraw/zinc/31/96/00/1036319600.db2.gz UENHCPWMIDNVKR-DRZCJDIDSA-N 0 3 319.351 3.542 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+]CCCc2ccco2)c1[O-] ZINC001183075629 1036506166 /nfs/dbraw/zinc/50/61/66/1036506166.db2.gz WWZLXFUPNPPTBM-UHFFFAOYSA-N 0 3 324.218 3.779 20 10 DHCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccccc1[O-] ZINC001197004109 1036667503 /nfs/dbraw/zinc/66/75/03/1036667503.db2.gz NMMSEGQOMJJJFD-CQSZACIVSA-N 0 3 320.392 3.835 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccnc2)cc1F ZINC000152032907 1036808338 /nfs/dbraw/zinc/80/83/38/1036808338.db2.gz WXORCELFTJLLIJ-AWEZNQCLSA-N 0 3 301.409 3.918 20 10 DHCDHN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N(C)C)cc1 ZINC000776013176 1037298468 /nfs/dbraw/zinc/29/84/68/1037298468.db2.gz LAINGGNPSGNZGW-SWLSCSKDSA-N 0 3 300.368 3.915 20 10 DHCDHN COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccccc2[O-])cc1F ZINC000761504915 1037339709 /nfs/dbraw/zinc/33/97/09/1037339709.db2.gz AOOLGGPXLZMKEA-CQSZACIVSA-N 0 3 317.404 3.851 20 10 DHCDHN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccccc2[O-])cc1F ZINC000761504915 1037339728 /nfs/dbraw/zinc/33/97/28/1037339728.db2.gz AOOLGGPXLZMKEA-CQSZACIVSA-N 0 3 317.404 3.851 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccccc1[O-] ZINC000156075373 1037457602 /nfs/dbraw/zinc/45/76/02/1037457602.db2.gz RERXDGCSHWSCDT-KBXCAEBGSA-N 0 3 315.413 3.909 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC(C)(C)[C@@H]3C)c2c1 ZINC000763213908 1037487550 /nfs/dbraw/zinc/48/75/50/1037487550.db2.gz VVXPKRQZEOBABP-ZDUSSCGKSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC(C)(C)[C@@H]3C)c2c1 ZINC000763213908 1037487561 /nfs/dbraw/zinc/48/75/61/1037487561.db2.gz VVXPKRQZEOBABP-ZDUSSCGKSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc(OC(F)F)c(CNCc2cc(C)ccc2O)c1 ZINC000152752388 1037560048 /nfs/dbraw/zinc/56/00/48/1037560048.db2.gz HWDPTWQYYOICHB-UHFFFAOYSA-N 0 3 323.339 3.600 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000775136792 1037688965 /nfs/dbraw/zinc/68/89/65/1037688965.db2.gz LTUQUKXKPGRKRN-NSHDSACASA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000775136792 1037688977 /nfs/dbraw/zinc/68/89/77/1037688977.db2.gz LTUQUKXKPGRKRN-NSHDSACASA-N 0 3 303.324 3.565 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000775173381 1037911108 /nfs/dbraw/zinc/91/11/08/1037911108.db2.gz QTGOOWHEDDIYJC-MRXNPFEDSA-N 0 3 317.816 3.707 20 10 DHCDHN CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000775203040 1038002307 /nfs/dbraw/zinc/00/23/07/1038002307.db2.gz JANIWIJMVTWKHK-SFHVURJKSA-N 0 3 307.434 3.572 20 10 DHCDHN CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000775203040 1038002330 /nfs/dbraw/zinc/00/23/30/1038002330.db2.gz JANIWIJMVTWKHK-SFHVURJKSA-N 0 3 307.434 3.572 20 10 DHCDHN Cc1cccc(CNCc2cccc(OC(C)(C)C)n2)c1O ZINC000776253219 1038072412 /nfs/dbraw/zinc/07/24/12/1038072412.db2.gz LDAUBQJIRYYSFF-UHFFFAOYSA-N 0 3 300.402 3.563 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c1[O-] ZINC000776253673 1038074182 /nfs/dbraw/zinc/07/41/82/1038074182.db2.gz NRNPJNAHZTZIET-QGZVFWFLSA-N 0 3 316.832 3.630 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1[O-] ZINC000157039916 1038488380 /nfs/dbraw/zinc/48/83/80/1038488380.db2.gz OCVYBWOVVBYDIR-ZBFHGGJFSA-N 0 3 305.418 3.509 20 10 DHCDHN CC[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000775523061 1038628236 /nfs/dbraw/zinc/62/82/36/1038628236.db2.gz FJPCDWMOGPLXPJ-CQSZACIVSA-N 0 3 313.376 3.659 20 10 DHCDHN COc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000172193926 1039771361 /nfs/dbraw/zinc/77/13/61/1039771361.db2.gz WBQPYILTSATUGC-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN COc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000172193926 1039771380 /nfs/dbraw/zinc/77/13/80/1039771380.db2.gz WBQPYILTSATUGC-UHFFFAOYSA-N 0 3 312.413 3.741 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1[O-] ZINC000230934565 1040060152 /nfs/dbraw/zinc/06/01/52/1040060152.db2.gz QTSLUNVYOQKTOX-QWHCGFSZSA-N 0 3 315.866 3.818 20 10 DHCDHN CC(C)(C)OC(=O)N(CC[NH2+]Cc1ccccc1[O-])C(C)(C)C ZINC000230976865 1040077291 /nfs/dbraw/zinc/07/72/91/1040077291.db2.gz ZIZOYYKRIRRJOY-UHFFFAOYSA-N 0 3 322.449 3.517 20 10 DHCDHN CCOc1cccc(CN(C)[C@@H](C)c2cccc(O)c2)c1O ZINC000093315651 193229720 /nfs/dbraw/zinc/22/97/20/193229720.db2.gz TYYZUKYYSNVFAJ-ZDUSSCGKSA-N 0 3 301.386 3.690 20 10 DHCDHN Cc1cc([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)c(C)s1 ZINC000042880030 183316578 /nfs/dbraw/zinc/31/65/78/183316578.db2.gz HZDOSJKHJVXPDO-JTQLQIEISA-N 0 3 305.399 3.650 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000105461255 194105162 /nfs/dbraw/zinc/10/51/62/194105162.db2.gz DQLXBEUBDCQGFP-ZDUSSCGKSA-N 0 3 301.386 3.737 20 10 DHCDHN COCC[C@@H](NCc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000272306720 130018946 /nfs/dbraw/zinc/01/89/46/130018946.db2.gz OFOUPCICCXGDFZ-MRXNPFEDSA-N 0 3 303.402 3.778 20 10 DHCDHN COc1ccc(OC)c(CN[C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273373659 130114969 /nfs/dbraw/zinc/11/49/69/130114969.db2.gz GRSQPGJUMMJNAA-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c([O-])c1C ZINC000273386954 130116296 /nfs/dbraw/zinc/11/62/96/130116296.db2.gz JSGHDPPJZQFBAB-SUMWQHHRSA-N 0 3 303.377 3.532 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000273390353 130116311 /nfs/dbraw/zinc/11/63/11/130116311.db2.gz KOIHEQSAVPJKNF-CQSZACIVSA-N 0 3 315.413 3.877 20 10 DHCDHN COCC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1 ZINC000273421312 130118451 /nfs/dbraw/zinc/11/84/51/130118451.db2.gz JIWYFCCHXKOVAE-BBRMVZONSA-N 0 3 319.401 3.731 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273449250 130123504 /nfs/dbraw/zinc/12/35/04/130123504.db2.gz FRCQZWBXELFEMP-CYBMUJFWSA-N 0 3 300.358 3.502 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273449314 130123731 /nfs/dbraw/zinc/12/37/31/130123731.db2.gz FSTCXVMMTOIDIG-KSMMKXTCSA-N 0 3 317.404 3.921 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000273506839 130130455 /nfs/dbraw/zinc/13/04/55/130130455.db2.gz RBTWRSOITUUTSX-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000273532138 130133204 /nfs/dbraw/zinc/13/32/04/130133204.db2.gz WQSIJIBVARVPII-AWEZNQCLSA-N 0 3 313.397 3.713 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000273532202 130134143 /nfs/dbraw/zinc/13/41/43/130134143.db2.gz WRQGGUPRQUMEHZ-ILXRZTDVSA-N 0 3 303.446 3.737 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c([O-])c1C ZINC000273565262 130136608 /nfs/dbraw/zinc/13/66/08/130136608.db2.gz JGCZEQFMLCOQLV-CXAGYDPISA-N 0 3 305.443 3.629 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccccc1[O-] ZINC000274909419 130273756 /nfs/dbraw/zinc/27/37/56/130273756.db2.gz MTSNJFLAFNWUTO-LJQANCHMSA-N 0 3 321.424 3.878 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCSC2)c1[O-] ZINC000275158276 130295910 /nfs/dbraw/zinc/29/59/10/130295910.db2.gz AAOIKRLMQYYGAT-KOLCDFICSA-N 0 3 316.264 3.619 20 10 DHCDHN Cc1nccn1CCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284033399 131042619 /nfs/dbraw/zinc/04/26/19/131042619.db2.gz JJTRXYXGCSYJQW-OAHLLOKOSA-N 0 3 301.434 3.645 20 10 DHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccnc(OC(F)F)c2)c1 ZINC000284252398 131064522 /nfs/dbraw/zinc/06/45/22/131064522.db2.gz FTKXDJJFWCDLKG-LLVKDONJSA-N 0 3 308.328 3.548 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c([O-])c1 ZINC000284297336 131067637 /nfs/dbraw/zinc/06/76/37/131067637.db2.gz YMDTZEOXXMHDKS-DYVFJYSZSA-N 0 3 305.443 3.629 20 10 DHCDHN Cc1nc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])sc1C ZINC000284949500 131125951 /nfs/dbraw/zinc/12/59/51/131125951.db2.gz FBIODYUTKZKNLD-ZDUSSCGKSA-N 0 3 304.459 3.976 20 10 DHCDHN C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000286939553 131256460 /nfs/dbraw/zinc/25/64/60/131256460.db2.gz GTXPJZGRMKCMHK-ZBEGNZNMSA-N 0 3 323.795 3.959 20 10 DHCDHN C[C@@H](NCC1=CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000286954729 131257513 /nfs/dbraw/zinc/25/75/13/131257513.db2.gz HORFEYYKHAGJOP-MRXNPFEDSA-N 0 3 300.446 3.674 20 10 DHCDHN COc1cccc(CNCc2ccccc2C(F)(F)F)c1O ZINC000289548850 131395572 /nfs/dbraw/zinc/39/55/72/131395572.db2.gz XOBVMENDOXPLRK-UHFFFAOYSA-N 0 3 311.303 3.709 20 10 DHCDHN C[C@@H](NC[C@@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550947 134647703 /nfs/dbraw/zinc/64/77/03/134647703.db2.gz NUWGKHHGHUJIKS-ZBFHGGJFSA-N 0 3 306.425 3.646 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c([O-])c1 ZINC000293898644 335115460 /nfs/dbraw/zinc/11/54/60/335115460.db2.gz WINRCNQGFRKZSL-GUYCJALGSA-N 0 3 303.377 3.532 20 10 DHCDHN C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185634411 333211187 /nfs/dbraw/zinc/21/11/87/333211187.db2.gz BWZWCPMYGZEJKZ-CQSZACIVSA-N 0 3 320.452 3.979 20 10 DHCDHN C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1[O-] ZINC000185634411 333211189 /nfs/dbraw/zinc/21/11/89/333211189.db2.gz BWZWCPMYGZEJKZ-CQSZACIVSA-N 0 3 320.452 3.979 20 10 DHCDHN CCOc1cccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000294986477 335129614 /nfs/dbraw/zinc/12/96/14/335129614.db2.gz KFFGXSSTJZIFCK-WCQYABFASA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000295956822 335138812 /nfs/dbraw/zinc/13/88/12/335138812.db2.gz HPIZBHRZXNHLHZ-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC(O)(c3ccccc3)CC1)CC2 ZINC000296535492 335146180 /nfs/dbraw/zinc/14/61/80/335146180.db2.gz RZGFHWAQLCWFAX-WBTXTPOCSA-N 0 3 323.436 3.800 20 10 DHCDHN CC[C@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccc(C)cc1[O-] ZINC000296348965 334232773 /nfs/dbraw/zinc/23/27/73/334232773.db2.gz IEWVOGDGOHYZGW-HNNXBMFYSA-N 0 3 320.820 3.999 20 10 DHCDHN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cc(C)ccc1O ZINC000368325412 336842362 /nfs/dbraw/zinc/84/23/62/336842362.db2.gz AETDORCMHKYTCJ-BBRMVZONSA-N 0 3 313.397 3.884 20 10 DHCDHN Cc1cc(O)c(CN[C@@H]2CCOc3c(F)cccc32)cc1C ZINC000372588473 336934912 /nfs/dbraw/zinc/93/49/12/336934912.db2.gz BNYIFXNHXVVSSL-MRXNPFEDSA-N 0 3 301.361 3.762 20 10 DHCDHN COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000373267459 336954926 /nfs/dbraw/zinc/95/49/26/336954926.db2.gz KXDDRUCOOJBGQP-CZUORRHYSA-N 0 3 313.397 3.884 20 10 DHCDHN CN1CCc2cc(CN[C@H]3CCCc4ccc(O)cc43)ccc21 ZINC000375068517 337002489 /nfs/dbraw/zinc/00/24/89/337002489.db2.gz CXOCUWBGVWRPFF-IBGZPJMESA-N 0 3 308.425 3.552 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1 ZINC000375531016 337012997 /nfs/dbraw/zinc/01/29/97/337012997.db2.gz YQSVPCQJJPXCPG-SCTDSRPQSA-N 0 3 303.446 3.606 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1 ZINC000375531016 337012998 /nfs/dbraw/zinc/01/29/98/337012998.db2.gz YQSVPCQJJPXCPG-SCTDSRPQSA-N 0 3 303.446 3.606 20 10 DHCDHN CCN(CC)c1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1F ZINC000375862865 337021696 /nfs/dbraw/zinc/02/16/96/337021696.db2.gz UMMREYLOMZFTAT-MRXNPFEDSA-N 0 3 316.424 3.562 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000377398065 337051834 /nfs/dbraw/zinc/05/18/34/337051834.db2.gz LLDPSXSRFFMCJA-ADLMAVQZSA-N 0 3 317.360 3.542 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(C)cc1[O-] ZINC000528007324 337783092 /nfs/dbraw/zinc/78/30/92/337783092.db2.gz ZCSSLJZMFDYFAQ-ZWKOTPCHSA-N 0 3 324.424 3.568 20 10 DHCDHN COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C2CC2)cn1 ZINC000528043819 337785557 /nfs/dbraw/zinc/78/55/57/337785557.db2.gz QIFWZUYQKVJXGM-DJJJIMSYSA-N 0 3 312.413 3.906 20 10 DHCDHN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000273616641 341636666 /nfs/dbraw/zinc/63/66/66/341636666.db2.gz XNBAYMQTKWUSRB-STQMWFEESA-N 0 3 301.386 3.821 20 10 DHCDHN CCOc1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000179951166 521338643 /nfs/dbraw/zinc/33/86/43/521338643.db2.gz KPYUYFDOUAJBJW-GFCCVEGCSA-N 0 3 303.324 3.565 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1O ZINC000179929345 521690146 /nfs/dbraw/zinc/69/01/46/521690146.db2.gz CVJLSXNLVHKYIO-UHFFFAOYSA-N 0 3 301.386 3.519 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1O ZINC000179929345 521690148 /nfs/dbraw/zinc/69/01/48/521690148.db2.gz CVJLSXNLVHKYIO-UHFFFAOYSA-N 0 3 301.386 3.519 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)c1ccccc1[O-] ZINC000365160151 522726665 /nfs/dbraw/zinc/72/66/65/522726665.db2.gz WMXJGTBOZQFDQY-BPAFIMBUSA-N 0 3 311.425 3.729 20 10 DHCDHN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000272353676 534728158 /nfs/dbraw/zinc/72/81/58/534728158.db2.gz DPXRGMMFEOCFSA-UHFFFAOYSA-N 0 3 323.408 3.521 20 10 DHCDHN COc1ccc(O)c(CN(C)[C@H]2CCCc3nc(C)sc32)c1 ZINC000180231788 524734961 /nfs/dbraw/zinc/73/49/61/524734961.db2.gz DFTLZOJLEMKZNL-HNNXBMFYSA-N 0 3 318.442 3.675 20 10 DHCDHN COc1ccc(O)c(CNC(C)(C)c2ccc(F)c(F)c2)c1 ZINC000182523766 524751211 /nfs/dbraw/zinc/75/12/11/524751211.db2.gz GELRZBYWXYJCHN-UHFFFAOYSA-N 0 3 307.340 3.704 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000157746872 525624791 /nfs/dbraw/zinc/62/47/91/525624791.db2.gz ZPUQMEWBMFHFMB-ROOHIHILSA-N 0 3 315.457 3.879 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(F)ccc1[O-] ZINC000188047572 525689148 /nfs/dbraw/zinc/68/91/48/525689148.db2.gz GCHLWDCFELLIBQ-BMIGLBTASA-N 0 3 305.324 3.845 20 10 DHCDHN COc1cccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1[O-] ZINC000237374835 526016382 /nfs/dbraw/zinc/01/63/82/526016382.db2.gz HUJZOWWOGREYNP-UHFFFAOYSA-N 0 3 310.397 3.523 20 10 DHCDHN CCCN1CC[C@H](C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287753855 534957916 /nfs/dbraw/zinc/95/79/16/534957916.db2.gz QMGBDPASPOCDSI-CZUORRHYSA-N 0 3 310.869 3.818 20 10 DHCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccc(CSC)cc2)c1 ZINC000285494833 535751686 /nfs/dbraw/zinc/75/16/86/535751686.db2.gz MPMXRBKETICPAF-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CCOc1ccc(O)c(CNCc2ccc(CSC)cc2)c1 ZINC000285494833 535751690 /nfs/dbraw/zinc/75/16/90/535751690.db2.gz MPMXRBKETICPAF-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273620004 535981350 /nfs/dbraw/zinc/98/13/50/535981350.db2.gz YTDNLUGIOWKLEY-IGMOGCDKSA-N 0 3 323.502 3.739 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])cc1OC ZINC000273362532 536896729 /nfs/dbraw/zinc/89/67/29/536896729.db2.gz DFHWTBYWLBBMCB-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN COc1cccc(CNCc2cc(C(C)(C)C)oc2C)c1O ZINC000894457660 1013371166 /nfs/dbraw/zinc/37/11/66/1013371166.db2.gz FZEWGDFCUZPRGW-UHFFFAOYSA-N 0 3 303.402 3.890 20 10 DHCDHN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000120846233 1013530244 /nfs/dbraw/zinc/53/02/44/1013530244.db2.gz KBXIDLAORRMALS-JTQLQIEISA-N 0 3 321.323 3.592 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000160554509 1014234769 /nfs/dbraw/zinc/23/47/69/1014234769.db2.gz KWJIBJVRXYTTCP-LJQANCHMSA-N 0 3 312.482 3.873 20 10 DHCDHN CCCC[NH+]1CCC(N(C)Cc2c([O-])cccc2Cl)CC1 ZINC001140342508 1014644240 /nfs/dbraw/zinc/64/42/40/1014644240.db2.gz MGUZHIQTWDELDJ-UHFFFAOYSA-N 0 3 310.869 3.742 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788295 1015302467 /nfs/dbraw/zinc/30/24/67/1015302467.db2.gz OFHFYGXHYQYEDQ-FZMZJTMJSA-N 0 3 303.299 3.696 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788295 1015302472 /nfs/dbraw/zinc/30/24/72/1015302472.db2.gz OFHFYGXHYQYEDQ-FZMZJTMJSA-N 0 3 303.299 3.696 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3F)c1[O-] ZINC000895856388 1015332751 /nfs/dbraw/zinc/33/27/51/1015332751.db2.gz YSXBAPIWVVIMCZ-OAHLLOKOSA-N 0 3 321.779 3.970 20 10 DHCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896225270 1015511159 /nfs/dbraw/zinc/51/11/59/1015511159.db2.gz WYKFYYIPANBCPZ-CYBMUJFWSA-N 0 3 303.299 3.567 20 10 DHCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896225270 1015511172 /nfs/dbraw/zinc/51/11/72/1015511172.db2.gz WYKFYYIPANBCPZ-CYBMUJFWSA-N 0 3 303.299 3.567 20 10 DHCDHN COc1cc(Cl)cc(CN[C@H](c2ccccn2)C2CC2)c1O ZINC000896611553 1015671834 /nfs/dbraw/zinc/67/18/34/1015671834.db2.gz BQCCUPWQFREXSV-INIZCTEOSA-N 0 3 318.804 3.690 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccn2)C2CC2)c1[O-] ZINC000896611553 1015671840 /nfs/dbraw/zinc/67/18/40/1015671840.db2.gz BQCCUPWQFREXSV-INIZCTEOSA-N 0 3 318.804 3.690 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1[O-] ZINC000399575832 1016167377 /nfs/dbraw/zinc/16/73/77/1016167377.db2.gz HWNRMLLLBUYZHS-SDDRHHMPSA-N 0 3 312.251 3.939 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1[O-] ZINC000399575832 1016167384 /nfs/dbraw/zinc/16/73/84/1016167384.db2.gz HWNRMLLLBUYZHS-SDDRHHMPSA-N 0 3 312.251 3.939 20 10 DHCDHN COc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)c(O)c1OC ZINC000892195328 1016396184 /nfs/dbraw/zinc/39/61/84/1016396184.db2.gz PQBLHSHROFIZLJ-SUMWQHHRSA-N 0 3 313.397 3.602 20 10 DHCDHN CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])CC(C)C ZINC000184949654 1016463372 /nfs/dbraw/zinc/46/33/72/1016463372.db2.gz ZCFFGIVFVHJKDV-HUUCEWRRSA-N 0 3 322.449 3.512 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c([O-])c1 ZINC000185091740 1016550011 /nfs/dbraw/zinc/55/00/11/1016550011.db2.gz QJGISTZSNSJANB-WMZOPIPTSA-N 0 3 312.457 3.524 20 10 DHCDHN CCCOc1ncccc1CN[C@@H](C)c1cc(C)ccc1O ZINC000185143116 1016624419 /nfs/dbraw/zinc/62/44/19/1016624419.db2.gz RZTYBXWFLXZHLT-AWEZNQCLSA-N 0 3 300.402 3.735 20 10 DHCDHN CCCCOc1ncccc1CN[C@H](C)c1cc(F)ccc1O ZINC000185143756 1016639024 /nfs/dbraw/zinc/63/90/24/1016639024.db2.gz QJFUWGKLIRSMSM-CYBMUJFWSA-N 0 3 318.392 3.956 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(F)ccc1[O-] ZINC000185165619 1016690251 /nfs/dbraw/zinc/69/02/51/1016690251.db2.gz AANUWJBFZOXDGS-ZDUSSCGKSA-N 0 3 311.360 3.568 20 10 DHCDHN COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185574785 1017023729 /nfs/dbraw/zinc/02/37/29/1017023729.db2.gz BAZMTISYEHKMMK-QWHCGFSZSA-N 0 3 319.376 3.658 20 10 DHCDHN COc1cc(Cl)cc(CN[C@H]2CCCc3cccnc32)c1O ZINC000897072484 1017033539 /nfs/dbraw/zinc/03/35/39/1017033539.db2.gz QCYPBZBVRDUFJX-AWEZNQCLSA-N 0 3 318.804 3.616 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3cccnc32)c1[O-] ZINC000897072484 1017033550 /nfs/dbraw/zinc/03/35/50/1017033550.db2.gz QCYPBZBVRDUFJX-AWEZNQCLSA-N 0 3 318.804 3.616 20 10 DHCDHN COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000192790223 1017059459 /nfs/dbraw/zinc/05/94/59/1017059459.db2.gz VRGYJTJUVVJVSJ-OLZOCXBDSA-N 0 3 301.386 3.821 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000192916789 1017228880 /nfs/dbraw/zinc/22/88/80/1017228880.db2.gz SMFBEPYVSHJOBD-RDJZCZTQSA-N 0 3 314.429 3.781 20 10 DHCDHN Cc1c(CN[C@H](C)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000323214816 1032339139 /nfs/dbraw/zinc/33/91/39/1032339139.db2.gz XZARQSNTXYRYRK-CQSZACIVSA-N 0 3 313.401 3.820 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1[O-] ZINC000192848087 1017098271 /nfs/dbraw/zinc/09/82/71/1017098271.db2.gz CDCYSCUCRPWWJZ-WBMJQRKESA-N 0 3 313.401 3.685 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000773108374 1032561721 /nfs/dbraw/zinc/56/17/21/1032561721.db2.gz XAACTEMVYBGURO-IERDGZPVSA-N 0 3 323.484 3.980 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C)cc2OC)c1 ZINC000185714824 1017125724 /nfs/dbraw/zinc/12/57/24/1017125724.db2.gz MQUKOBUVYCKERX-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN Cc1cc(Br)c(O)c(CNc2nccn2C2CC2)c1 ZINC000840887292 1017371219 /nfs/dbraw/zinc/37/12/19/1017371219.db2.gz VYZXBYCGZSOAQM-UHFFFAOYSA-N 0 3 322.206 3.607 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000305740979 1017529463 /nfs/dbraw/zinc/52/94/63/1017529463.db2.gz DUGOCHXGGNAHPE-LJQANCHMSA-N 0 3 323.392 3.721 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000305740979 1017529471 /nfs/dbraw/zinc/52/94/71/1017529471.db2.gz DUGOCHXGGNAHPE-LJQANCHMSA-N 0 3 323.392 3.721 20 10 DHCDHN COc1cccc(OCCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000186066547 1017679501 /nfs/dbraw/zinc/67/95/01/1017679501.db2.gz LLDBKAXZZJPRMT-ZDUSSCGKSA-N 0 3 319.376 3.660 20 10 DHCDHN CN1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000705967490 1018689717 /nfs/dbraw/zinc/68/97/17/1018689717.db2.gz MRWBAXFKTNPETK-LLVKDONJSA-N 0 3 317.260 3.521 20 10 DHCDHN Cc1cccc2c1OCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921634561 1019332210 /nfs/dbraw/zinc/33/22/10/1019332210.db2.gz OORRLZIJGJYWNF-SFHVURJKSA-N 0 3 309.409 3.933 20 10 DHCDHN Cc1ncccc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000858273541 1032829089 /nfs/dbraw/zinc/82/90/89/1032829089.db2.gz DYUAPAVQUUOFLX-UHFFFAOYSA-N 0 3 323.362 3.765 20 10 DHCDHN Cc1cc(CNCc2cnc(C)n2C)c(C)n1-c1cccc(C)c1 ZINC000858292652 1032832883 /nfs/dbraw/zinc/83/28/83/1032832883.db2.gz CNSFIPJNINSUGN-UHFFFAOYSA-N 0 3 322.456 3.734 20 10 DHCDHN COc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)c([O-])c1 ZINC000858305061 1032834364 /nfs/dbraw/zinc/83/43/64/1032834364.db2.gz OFWYYTRSNDRHGK-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN COc1ccc(CNCc2csc(C(F)(F)F)c2)c(O)c1 ZINC000858305061 1032834388 /nfs/dbraw/zinc/83/43/88/1032834388.db2.gz OFWYYTRSNDRHGK-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000922310736 1019988609 /nfs/dbraw/zinc/98/86/09/1019988609.db2.gz UHSFWHCOSSDXJT-LBPRGKRZSA-N 0 3 324.380 3.709 20 10 DHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000922310735 1019989082 /nfs/dbraw/zinc/98/90/82/1019989082.db2.gz UHSFWHCOSSDXJT-GFCCVEGCSA-N 0 3 324.380 3.709 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000730818188 1020030295 /nfs/dbraw/zinc/03/02/95/1020030295.db2.gz KOYBWNULXKAHJS-UHFFFAOYSA-N 0 3 310.397 3.605 20 10 DHCDHN Cc1cc(CN[C@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000323450367 1032873516 /nfs/dbraw/zinc/87/35/16/1032873516.db2.gz AOYCPECZKKALBV-OAHLLOKOSA-N 0 3 308.429 3.678 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccccc1[O-] ZINC000186237997 1020171001 /nfs/dbraw/zinc/17/10/01/1020171001.db2.gz RAABYQALALEZOA-YOEYTUCGSA-N 0 3 309.475 3.513 20 10 DHCDHN CC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000186264284 1020194581 /nfs/dbraw/zinc/19/45/81/1020194581.db2.gz GSHFFPJGRKQGNO-ZFWWWQNUSA-N 0 3 322.449 3.736 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1scnc1C1CC1 ZINC000785471050 1020342536 /nfs/dbraw/zinc/34/25/36/1020342536.db2.gz UFCSANAUUDHDJG-UHFFFAOYSA-N 0 3 301.459 3.685 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463657 1020406985 /nfs/dbraw/zinc/40/69/85/1020406985.db2.gz FXSDEFBUEWSNAJ-RBUKOAKNSA-N 0 3 322.452 3.634 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(C)cc1[O-] ZINC000858452894 1032903715 /nfs/dbraw/zinc/90/37/15/1032903715.db2.gz HTAPNNBUQBNSAW-PKOBYXMFSA-N 0 3 311.425 3.883 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000152089081 1020545055 /nfs/dbraw/zinc/54/50/55/1020545055.db2.gz IONZZDKAUFEMQH-UHFFFAOYSA-N 0 3 307.397 3.579 20 10 DHCDHN Cc1cc(CN[C@@H]2CCCc3n[nH]cc32)c(C)n1-c1ccccc1 ZINC000858543110 1032939072 /nfs/dbraw/zinc/93/90/72/1032939072.db2.gz QAUOGFZUNBWYPG-LJQANCHMSA-N 0 3 320.440 3.984 20 10 DHCDHN Cc1cc(CN[C@H]2CCCn3nccc32)c(C)n1-c1ccccc1 ZINC000858543483 1032941671 /nfs/dbraw/zinc/94/16/71/1032941671.db2.gz SXODQILFDWXXIF-IBGZPJMESA-N 0 3 320.440 3.915 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cnc(F)cc2C)cc1 ZINC000892615046 1021097007 /nfs/dbraw/zinc/09/70/07/1021097007.db2.gz QNZZHJNETDBUBP-UHFFFAOYSA-N 0 3 301.409 3.665 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCO1 ZINC000776265658 1021207158 /nfs/dbraw/zinc/20/71/58/1021207158.db2.gz OHVDPMWCCJFFBZ-MJGOQNOKSA-N 0 3 311.425 3.835 20 10 DHCDHN Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])cc(C)[nH+]1 ZINC001168523166 1021244674 /nfs/dbraw/zinc/24/46/74/1021244674.db2.gz LEOVWMYBXLXLQB-UHFFFAOYSA-N 0 3 313.788 3.640 20 10 DHCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000850344380 1021480600 /nfs/dbraw/zinc/48/06/00/1021480600.db2.gz HCGFYCFNVRUOQA-CQSZACIVSA-N 0 3 316.832 3.662 20 10 DHCDHN COC1CC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000850342984 1021480876 /nfs/dbraw/zinc/48/08/76/1021480876.db2.gz XFWSALZWBSPSNP-UHFFFAOYSA-N 0 3 311.425 3.964 20 10 DHCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000850388876 1021504150 /nfs/dbraw/zinc/50/41/50/1021504150.db2.gz QVKDLLBKCAQPFS-DLBZAZTESA-N 0 3 319.445 3.617 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccnc3ccccc13)CC2 ZINC000850506096 1021566846 /nfs/dbraw/zinc/56/68/46/1021566846.db2.gz FKUAVTDTFVECEU-SFHVURJKSA-N 0 3 304.393 3.760 20 10 DHCDHN COC[C@@H](N[C@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513331 1021571024 /nfs/dbraw/zinc/57/10/24/1021571024.db2.gz GEQXYJOUBDLPDS-RDTXWAMCSA-N 0 3 315.413 3.748 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850530070 1021583243 /nfs/dbraw/zinc/58/32/43/1021583243.db2.gz WUMQNMIZDBDWHE-VHKYSDTDSA-N 0 3 310.441 3.972 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccccc1[O-] ZINC000850536844 1021589350 /nfs/dbraw/zinc/58/93/50/1021589350.db2.gz KHWJOQQWZRXLBN-HOCLYGCPSA-N 0 3 301.361 3.576 20 10 DHCDHN CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(C)cc1[O-] ZINC000850572407 1021614321 /nfs/dbraw/zinc/61/43/21/1021614321.db2.gz CNQVMFDCDNOPEA-INIZCTEOSA-N 0 3 318.461 3.567 20 10 DHCDHN CC[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(C)cc1[O-] ZINC000850572408 1021615350 /nfs/dbraw/zinc/61/53/50/1021615350.db2.gz CNQVMFDCDNOPEA-MRXNPFEDSA-N 0 3 318.461 3.567 20 10 DHCDHN C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1cc(F)ccc1[O-] ZINC000850573301 1021615892 /nfs/dbraw/zinc/61/58/92/1021615892.db2.gz KKKPMUMQZOCJKN-GFCCVEGCSA-N 0 3 323.408 3.694 20 10 DHCDHN C[C@@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850583551 1021622711 /nfs/dbraw/zinc/62/27/11/1021622711.db2.gz LJSDXZVJSMFDGM-JFVXACQESA-N 0 3 315.388 3.791 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000183517162 1022169145 /nfs/dbraw/zinc/16/91/45/1022169145.db2.gz UQLPIBURRHGGGK-HOCLYGCPSA-N 0 3 314.404 3.851 20 10 DHCDHN CCCN(CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1O ZINC000110990121 1022190471 /nfs/dbraw/zinc/19/04/71/1022190471.db2.gz MLRBDFPYWFKZDQ-UHFFFAOYSA-N 0 3 322.408 3.968 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1)c1ccccc1[O-] ZINC000853240159 1022242107 /nfs/dbraw/zinc/24/21/07/1022242107.db2.gz GZRAWZCFXPWAGU-XJKSGUPXSA-N 0 3 319.445 3.801 20 10 DHCDHN CCn1nccc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000853239582 1022242654 /nfs/dbraw/zinc/24/26/54/1022242654.db2.gz IFYMYKJFTIPPQT-MRXNPFEDSA-N 0 3 312.461 3.744 20 10 DHCDHN C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1[O-] ZINC000179561521 1022470234 /nfs/dbraw/zinc/47/02/34/1022470234.db2.gz BNDKJSPBSWZDCI-UHFFFAOYSA-N 0 3 321.424 3.847 20 10 DHCDHN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1[O-] ZINC000179561521 1022470245 /nfs/dbraw/zinc/47/02/45/1022470245.db2.gz BNDKJSPBSWZDCI-UHFFFAOYSA-N 0 3 321.424 3.847 20 10 DHCDHN O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179578486 1022473587 /nfs/dbraw/zinc/47/35/87/1022473587.db2.gz OUPPCTRFQLFOTP-MRXNPFEDSA-N 0 3 313.372 3.626 20 10 DHCDHN O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179578486 1022473591 /nfs/dbraw/zinc/47/35/91/1022473591.db2.gz OUPPCTRFQLFOTP-MRXNPFEDSA-N 0 3 313.372 3.626 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(F)ccc1[O-] ZINC000185405466 1022483693 /nfs/dbraw/zinc/48/36/93/1022483693.db2.gz CXKJAGNNWUQZKZ-OLZOCXBDSA-N 0 3 301.361 3.748 20 10 DHCDHN C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(F)ccc1[O-] ZINC000179883406 1022574171 /nfs/dbraw/zinc/57/41/71/1022574171.db2.gz IPSWTOLBKKRVPB-UHFFFAOYSA-N 0 3 311.303 3.765 20 10 DHCDHN C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(F)ccc1[O-] ZINC000179883406 1022574183 /nfs/dbraw/zinc/57/41/83/1022574183.db2.gz IPSWTOLBKKRVPB-UHFFFAOYSA-N 0 3 311.303 3.765 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000310463656 1022793664 /nfs/dbraw/zinc/79/36/64/1022793664.db2.gz FXSDEFBUEWSNAJ-OALUTQOASA-N 0 3 322.452 3.634 20 10 DHCDHN CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000068973654 1022824308 /nfs/dbraw/zinc/82/43/08/1022824308.db2.gz VKGWXMWUVRVIGF-UHFFFAOYSA-N 0 3 300.358 3.713 20 10 DHCDHN CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000068973654 1022824325 /nfs/dbraw/zinc/82/43/25/1022824325.db2.gz VKGWXMWUVRVIGF-UHFFFAOYSA-N 0 3 300.358 3.713 20 10 DHCDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000876558122 1033091343 /nfs/dbraw/zinc/09/13/43/1033091343.db2.gz IIOUENLSLVRBOG-HXUWFJFHSA-N 0 3 311.425 3.646 20 10 DHCDHN CCOc1ccc(CN2CCc3sccc3[C@H]2C)c(O)c1 ZINC000768211438 1022924134 /nfs/dbraw/zinc/92/41/34/1022924134.db2.gz YFZZYNPZHBDLRX-GFCCVEGCSA-N 0 3 303.427 3.972 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)c([O-])c1 ZINC000768211438 1022924141 /nfs/dbraw/zinc/92/41/41/1022924141.db2.gz YFZZYNPZHBDLRX-GFCCVEGCSA-N 0 3 303.427 3.972 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCc3sccc3[C@H]2C)c([O-])c1 ZINC000768211438 1022924150 /nfs/dbraw/zinc/92/41/50/1022924150.db2.gz YFZZYNPZHBDLRX-GFCCVEGCSA-N 0 3 303.427 3.972 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1[O-] ZINC000857064844 1022940941 /nfs/dbraw/zinc/94/09/41/1022940941.db2.gz DXKCOZDKQFUIPS-VIFPVBQESA-N 0 3 324.635 3.728 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000768365178 1022952723 /nfs/dbraw/zinc/95/27/23/1022952723.db2.gz QRTFUKCKCLRKPL-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000768365178 1022952730 /nfs/dbraw/zinc/95/27/30/1022952730.db2.gz QRTFUKCKCLRKPL-KRWDZBQOSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000768913002 1023054753 /nfs/dbraw/zinc/05/47/53/1023054753.db2.gz PNBAOELGKURENL-INIZCTEOSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000768913002 1023054760 /nfs/dbraw/zinc/05/47/60/1023054760.db2.gz PNBAOELGKURENL-INIZCTEOSA-N 0 3 315.388 3.747 20 10 DHCDHN COc1cccc([O-])c1C[N@H+](C)CCCOc1ccccc1C ZINC000768921175 1023057847 /nfs/dbraw/zinc/05/78/47/1023057847.db2.gz ZGMOKLFTZHFNBQ-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+](C)CCCOc1ccccc1C ZINC000768921175 1023057857 /nfs/dbraw/zinc/05/78/57/1023057857.db2.gz ZGMOKLFTZHFNBQ-UHFFFAOYSA-N 0 3 315.413 3.610 20 10 DHCDHN CCOc1ccc(CN2CCOc3ccccc3[C@@H]2C)c(O)c1 ZINC000768932003 1023060365 /nfs/dbraw/zinc/06/03/65/1023060365.db2.gz YQQFSRFZBXPYTA-AWEZNQCLSA-N 0 3 313.397 3.747 20 10 DHCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769005240 1023078079 /nfs/dbraw/zinc/07/80/79/1023078079.db2.gz ARXXVZVRKKWYHO-GFCCVEGCSA-N 0 3 314.223 3.538 20 10 DHCDHN CC[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769005240 1023078090 /nfs/dbraw/zinc/07/80/90/1023078090.db2.gz ARXXVZVRKKWYHO-GFCCVEGCSA-N 0 3 314.223 3.538 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c([O-])c1 ZINC000769425404 1023146573 /nfs/dbraw/zinc/14/65/73/1023146573.db2.gz HFWBDUXNRIGWRX-SFHVURJKSA-N 0 3 312.413 3.831 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c([O-])c1 ZINC000769425404 1023146576 /nfs/dbraw/zinc/14/65/76/1023146576.db2.gz HFWBDUXNRIGWRX-SFHVURJKSA-N 0 3 312.413 3.831 20 10 DHCDHN CCC[N@H+](CCc1cccc(F)c1)Cc1cccc(OC)c1[O-] ZINC000769425579 1023146796 /nfs/dbraw/zinc/14/67/96/1023146796.db2.gz QTCFWPSJZCQQED-UHFFFAOYSA-N 0 3 317.404 3.995 20 10 DHCDHN CCC[N@@H+](CCc1cccc(F)c1)Cc1cccc(OC)c1[O-] ZINC000769425579 1023146798 /nfs/dbraw/zinc/14/67/98/1023146798.db2.gz QTCFWPSJZCQQED-UHFFFAOYSA-N 0 3 317.404 3.995 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769499959 1023166950 /nfs/dbraw/zinc/16/69/50/1023166950.db2.gz YAADKMRHWLUSCP-DOTOQJQBSA-N 0 3 307.459 3.651 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769499959 1023166954 /nfs/dbraw/zinc/16/69/54/1023166954.db2.gz YAADKMRHWLUSCP-DOTOQJQBSA-N 0 3 307.459 3.651 20 10 DHCDHN CCOCc1cc(CN[C@@H](C)c2cnccc2C)ccc1OC ZINC000770744766 1023347842 /nfs/dbraw/zinc/34/78/42/1023347842.db2.gz BIILGNPWCSPZNK-HNNXBMFYSA-N 0 3 314.429 3.786 20 10 DHCDHN CC1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])CN1Cc1ccccc1 ZINC000771839103 1023473806 /nfs/dbraw/zinc/47/38/06/1023473806.db2.gz GCJJSSOGBBTJQS-GOSISDBHSA-N 0 3 310.441 3.535 20 10 DHCDHN CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccccc1[O-] ZINC000788260245 1023867374 /nfs/dbraw/zinc/86/73/74/1023867374.db2.gz XFJWBJQIRQSMQF-JKSUJKDBSA-N 0 3 301.434 3.606 20 10 DHCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccnc(OC)c2)cc1 ZINC000788544130 1023902768 /nfs/dbraw/zinc/90/27/68/1023902768.db2.gz CTMSUXIGXAPFIZ-OAHLLOKOSA-N 0 3 313.445 3.787 20 10 DHCDHN CCOC[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093838893 1023929692 /nfs/dbraw/zinc/92/96/92/1023929692.db2.gz OGONAHZNVUOLLK-INIZCTEOSA-N 0 3 311.425 3.918 20 10 DHCDHN CCOC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093838893 1023929694 /nfs/dbraw/zinc/92/96/94/1023929694.db2.gz OGONAHZNVUOLLK-INIZCTEOSA-N 0 3 311.425 3.918 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c([O-])c1 ZINC000788815685 1023939681 /nfs/dbraw/zinc/93/96/81/1023939681.db2.gz PQWUOGJLHSJGEO-NVXWUHKLSA-N 0 3 305.462 3.848 20 10 DHCDHN CCOC1CC(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000788982312 1023958686 /nfs/dbraw/zinc/95/86/86/1023958686.db2.gz XDOLOAXLQFBIGF-LFUGVXIPSA-N 0 3 307.409 3.874 20 10 DHCDHN Cc1ccc(O)c(CN2CCN(c3ccccc3F)C[C@@H]2C)c1 ZINC000789589277 1024119726 /nfs/dbraw/zinc/11/97/26/1024119726.db2.gz KLYPXAUVTOHXLC-HNNXBMFYSA-N 0 3 314.404 3.550 20 10 DHCDHN CSc1ccc(CNCCCSc2nccs2)o1 ZINC000883012275 1024209861 /nfs/dbraw/zinc/20/98/61/1024209861.db2.gz AGCQKIYVFFKNRC-UHFFFAOYSA-N 0 3 300.474 3.730 20 10 DHCDHN CC(C)c1cccc(N(C)C(=O)c2cccc3c2CCNC3)c1 ZINC000662535260 1024247732 /nfs/dbraw/zinc/24/77/32/1024247732.db2.gz KLFOHHXIBMUMOP-UHFFFAOYSA-N 0 3 308.425 3.732 20 10 DHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1F ZINC000790995236 1024416012 /nfs/dbraw/zinc/41/60/12/1024416012.db2.gz IIFHUBBMQAPVKR-QGZVFWFLSA-N 0 3 314.404 3.765 20 10 DHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCCOC1 ZINC000271147494 1024461869 /nfs/dbraw/zinc/46/18/69/1024461869.db2.gz BJKUILBFYHVJLX-INIZCTEOSA-N 0 3 311.425 3.918 20 10 DHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCCOC1 ZINC000271147494 1024461877 /nfs/dbraw/zinc/46/18/77/1024461877.db2.gz BJKUILBFYHVJLX-INIZCTEOSA-N 0 3 311.425 3.918 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1N(C)C ZINC000271539989 1024534378 /nfs/dbraw/zinc/53/43/78/1024534378.db2.gz UEVZRCSYIVZBKM-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN CN(C)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000282844965 1024552586 /nfs/dbraw/zinc/55/25/86/1024552586.db2.gz CXFKSUBIKNLHCK-INIZCTEOSA-N 0 3 322.811 3.577 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3ccccc32)c1[O-] ZINC000228670072 1024603689 /nfs/dbraw/zinc/60/36/89/1024603689.db2.gz TUDPHSBPXBUDSE-OAHLLOKOSA-N 0 3 303.789 3.831 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCc2ccco2)c1[O-] ZINC000228668800 1024603867 /nfs/dbraw/zinc/60/38/67/1024603867.db2.gz OAUMUHXIXVPVEH-NSHDSACASA-N 0 3 309.793 3.758 20 10 DHCDHN C[N@H+](CCOc1ccc(Cl)c(F)c1)Cc1ccccc1[O-] ZINC000792250548 1024653142 /nfs/dbraw/zinc/65/31/42/1024653142.db2.gz UURUDSCPUOHOQT-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN C[N@@H+](CCOc1ccc(Cl)c(F)c1)Cc1ccccc1[O-] ZINC000792250548 1024653148 /nfs/dbraw/zinc/65/31/48/1024653148.db2.gz UURUDSCPUOHOQT-UHFFFAOYSA-N 0 3 309.768 3.696 20 10 DHCDHN CCc1oc2ccccc2c1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793388849 1025032640 /nfs/dbraw/zinc/03/26/40/1025032640.db2.gz JKJBITUMKPLRFD-UHFFFAOYSA-N 0 3 311.381 3.999 20 10 DHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCOCC3)CC2)c1[O-] ZINC000793622973 1025135263 /nfs/dbraw/zinc/13/52/63/1025135263.db2.gz CVNHSPWHCJEDOM-UHFFFAOYSA-N 0 3 309.837 3.747 20 10 DHCDHN CN(C)c1ccc(CNCc2ccccc2OCC(F)F)cc1 ZINC000885901829 1025402209 /nfs/dbraw/zinc/40/22/09/1025402209.db2.gz UFLJVQVRVOKOAE-UHFFFAOYSA-N 0 3 320.383 3.686 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1OCC(F)F)c1ccccc1[O-] ZINC000886185685 1025551992 /nfs/dbraw/zinc/55/19/92/1025551992.db2.gz DLUJQROQRRIPJT-GFCCVEGCSA-N 0 3 307.340 3.887 20 10 DHCDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000089513337 1026056724 /nfs/dbraw/zinc/05/67/24/1026056724.db2.gz ZODDRJZAKULLCI-SFHVURJKSA-N 0 3 313.401 3.902 20 10 DHCDHN CCC[N@H+](CCc1ccccn1)Cc1cccc(OCC)c1[O-] ZINC000289649620 1026112719 /nfs/dbraw/zinc/11/27/19/1026112719.db2.gz CBEDGUBXLHAWDE-UHFFFAOYSA-N 0 3 314.429 3.641 20 10 DHCDHN CCC[N@@H+](CCc1ccccn1)Cc1cccc(OCC)c1[O-] ZINC000289649620 1026112728 /nfs/dbraw/zinc/11/27/28/1026112728.db2.gz CBEDGUBXLHAWDE-UHFFFAOYSA-N 0 3 314.429 3.641 20 10 DHCDHN COc1cc(C)cc(CN[C@@H]2COc3c2ccc(C)c3C)c1O ZINC000894136669 1026114849 /nfs/dbraw/zinc/11/48/49/1026114849.db2.gz ANFSWAMGLMAWIC-MRXNPFEDSA-N 0 3 313.397 3.549 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1[O-] ZINC000289703521 1026139514 /nfs/dbraw/zinc/13/95/14/1026139514.db2.gz IULPBRJCEWWJHJ-CRAIPNDOSA-N 0 3 317.454 3.983 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000808691185 1026349662 /nfs/dbraw/zinc/34/96/62/1026349662.db2.gz GBHLOBINCSAYDE-BBRMVZONSA-N 0 3 319.832 3.608 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808691750 1026350079 /nfs/dbraw/zinc/35/00/79/1026350079.db2.gz NOMVWYGIKQZCIT-AAEUAGOBSA-N 0 3 321.852 3.846 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1[O-] ZINC000808672228 1026353615 /nfs/dbraw/zinc/35/36/15/1026353615.db2.gz GZRGNOHGRAMXPH-LLVKDONJSA-N 0 3 319.788 3.934 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)c1[O-] ZINC000808676212 1026354455 /nfs/dbraw/zinc/35/44/55/1026354455.db2.gz HMTGTSZCYHVMGV-GFCCVEGCSA-N 0 3 319.836 3.666 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)C2CCCCC2)c1[O-] ZINC000808707006 1026357143 /nfs/dbraw/zinc/35/71/43/1026357143.db2.gz YQNIZRDWSAKZQA-BLLLJJGKSA-N 0 3 311.853 3.946 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc32)c2c1c(F)ccc2[O-] ZINC000808727778 1026357694 /nfs/dbraw/zinc/35/76/94/1026357694.db2.gz LUUVDAPIEMZDCX-TYNCELHUSA-N 0 3 313.372 3.845 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c1[O-] ZINC000808710616 1026361263 /nfs/dbraw/zinc/36/12/63/1026361263.db2.gz SJCGKVCWRVBNSD-WBMJQRKESA-N 0 3 311.853 3.802 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)c1[O-] ZINC000808715850 1026366115 /nfs/dbraw/zinc/36/61/15/1026366115.db2.gz XQZVSJZNQSNGPS-QMTHXVAHSA-N 0 3 311.834 3.800 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)N[C@H](CO)c2ccsc2)c1O ZINC000808715850 1026366123 /nfs/dbraw/zinc/36/61/23/1026366123.db2.gz XQZVSJZNQSNGPS-QMTHXVAHSA-N 0 3 311.834 3.800 20 10 DHCDHN COc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1C ZINC000809655580 1026582420 /nfs/dbraw/zinc/58/24/20/1026582420.db2.gz MPFBBLAFKKPOQS-IBGZPJMESA-N 0 3 313.441 3.853 20 10 DHCDHN CN(CCC[N@H+](C)Cc1c([O-])cccc1Cl)Cc1ccco1 ZINC000809719331 1026603854 /nfs/dbraw/zinc/60/38/54/1026603854.db2.gz XZJDURIERUFVLK-UHFFFAOYSA-N 0 3 322.836 3.593 20 10 DHCDHN CN(CCC[N@@H+](C)Cc1c([O-])cccc1Cl)Cc1ccco1 ZINC000809719331 1026603857 /nfs/dbraw/zinc/60/38/57/1026603857.db2.gz XZJDURIERUFVLK-UHFFFAOYSA-N 0 3 322.836 3.593 20 10 DHCDHN C[NH+](C)CCN(Cc1cccs1)Cc1c([O-])cccc1Cl ZINC000809746431 1026613000 /nfs/dbraw/zinc/61/30/00/1026613000.db2.gz RUWDTKSJAJMQAN-UHFFFAOYSA-N 0 3 324.877 3.671 20 10 DHCDHN CC[C@H]([NH2+]CC1(SC)CCOCC1)c1ccc(C)cc1[O-] ZINC000280265644 1026623240 /nfs/dbraw/zinc/62/32/40/1026623240.db2.gz XMURRTSNLXXSEQ-HNNXBMFYSA-N 0 3 309.475 3.654 20 10 DHCDHN CN(C)c1ccc(CNCc2cc(O)cc(C(F)(F)F)c2)cc1 ZINC000810125110 1026683614 /nfs/dbraw/zinc/68/36/14/1026683614.db2.gz ACWYETSTHBJGHG-UHFFFAOYSA-N 0 3 324.346 3.767 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811510805 1027026449 /nfs/dbraw/zinc/02/64/49/1027026449.db2.gz PICRGUAYWKSYMD-GDBMZVCRSA-N 0 3 309.837 3.743 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1[O-] ZINC001170668033 1027209454 /nfs/dbraw/zinc/20/94/54/1027209454.db2.gz DZLSCWOLLSZNLY-RISCZKNCSA-N 0 3 303.352 3.879 20 10 DHCDHN COc1cc(C)cc(CN[C@@H]2CSc3ccccc32)c1O ZINC000894280063 1027486996 /nfs/dbraw/zinc/48/69/96/1027486996.db2.gz GNCFGXBFNFMEAZ-CQSZACIVSA-N 0 3 301.411 3.646 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000778994250 1027730396 /nfs/dbraw/zinc/73/03/96/1027730396.db2.gz ISLRVYHVACYCMZ-UHFFFAOYSA-N 0 3 301.361 3.617 20 10 DHCDHN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1[O-] ZINC000778996985 1027739169 /nfs/dbraw/zinc/73/91/69/1027739169.db2.gz YIEPCLMPDISELD-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1[O-] ZINC000778996985 1027739189 /nfs/dbraw/zinc/73/91/89/1027739189.db2.gz YIEPCLMPDISELD-UHFFFAOYSA-N 0 3 303.377 3.952 20 10 DHCDHN COCC[N@H+](CCCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779002720 1027751802 /nfs/dbraw/zinc/75/18/02/1027751802.db2.gz NLWRCPMHAYWGCG-UHFFFAOYSA-N 0 3 317.404 3.613 20 10 DHCDHN COCC[N@@H+](CCCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779002720 1027751818 /nfs/dbraw/zinc/75/18/18/1027751818.db2.gz NLWRCPMHAYWGCG-UHFFFAOYSA-N 0 3 317.404 3.613 20 10 DHCDHN C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000779004616 1027758865 /nfs/dbraw/zinc/75/88/65/1027758865.db2.gz XODRXFHBEHOHSW-MRXNPFEDSA-N 0 3 322.452 3.808 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1[O-] ZINC000527947021 1027979543 /nfs/dbraw/zinc/97/95/43/1027979543.db2.gz JMEXIWPABBEMSC-WMZOPIPTSA-N 0 3 302.462 3.840 20 10 DHCDHN CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccccc1[O-] ZINC000528043639 1028058725 /nfs/dbraw/zinc/05/87/25/1028058725.db2.gz OSLXLJAVASXHQE-QFBILLFUSA-N 0 3 312.413 3.988 20 10 DHCDHN COc1ccc([C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C2CC2)cn1 ZINC000528042616 1028059678 /nfs/dbraw/zinc/05/96/78/1028059678.db2.gz FZWGTXWHTIPCED-ADLMAVQZSA-N 0 3 316.376 3.737 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000779091899 1028226056 /nfs/dbraw/zinc/22/60/56/1028226056.db2.gz YZFHDZAZAJZZMV-ZYHUDNBSSA-N 0 3 305.315 3.990 20 10 DHCDHN CCN(C)c1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000815120008 1028366945 /nfs/dbraw/zinc/36/69/45/1028366945.db2.gz LZPTYLXJNNBRLU-QZTJIDSGSA-N 0 3 302.462 3.532 20 10 DHCDHN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815159143 1028387207 /nfs/dbraw/zinc/38/72/07/1028387207.db2.gz KAKNAYXOWQHAFU-FOIQADDNSA-N 0 3 311.425 3.700 20 10 DHCDHN C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccccc1[O-] ZINC000188724744 1028527608 /nfs/dbraw/zinc/52/76/08/1028527608.db2.gz IWXBTKCDXHXOEQ-LBPRGKRZSA-N 0 3 307.340 3.887 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@@H](c2cccs2)C1 ZINC000372518969 1028868390 /nfs/dbraw/zinc/86/83/90/1028868390.db2.gz XOUAPYURVFTGEM-GDBMZVCRSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000372518969 1028868404 /nfs/dbraw/zinc/86/84/04/1028868404.db2.gz XOUAPYURVFTGEM-GDBMZVCRSA-N 0 3 303.427 3.978 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000372518969 1028868420 /nfs/dbraw/zinc/86/84/20/1028868420.db2.gz XOUAPYURVFTGEM-GDBMZVCRSA-N 0 3 303.427 3.978 20 10 DHCDHN Cc1ccc2nc(C[NH2+]Cc3ccc4ccccc4c3[O-])cn2c1 ZINC000816548304 1028929395 /nfs/dbraw/zinc/92/93/95/1028929395.db2.gz CIQVRINVAAJOHS-UHFFFAOYSA-N 0 3 317.392 3.791 20 10 DHCDHN Cc1cccc2nc(C[NH2+]Cc3ccc4ccccc4c3[O-])cn21 ZINC000816547361 1028929735 /nfs/dbraw/zinc/92/97/35/1028929735.db2.gz TXIQIDGSMWFHGE-UHFFFAOYSA-N 0 3 317.392 3.791 20 10 DHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000816659552 1028981906 /nfs/dbraw/zinc/98/19/06/1028981906.db2.gz SBSVBUHWQYYKSP-INIZCTEOSA-N 0 3 303.789 3.699 20 10 DHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000816659552 1028981921 /nfs/dbraw/zinc/98/19/21/1028981921.db2.gz SBSVBUHWQYYKSP-INIZCTEOSA-N 0 3 303.789 3.699 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666368 1028983263 /nfs/dbraw/zinc/98/32/63/1028983263.db2.gz LNNPJZXRPKQCFA-VQTJNVASSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666368 1028983282 /nfs/dbraw/zinc/98/32/82/1028983282.db2.gz LNNPJZXRPKQCFA-VQTJNVASSA-N 0 3 309.409 3.689 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667924 1028991082 /nfs/dbraw/zinc/99/10/82/1028991082.db2.gz ZZDVZFDSVXHHQQ-QGZVFWFLSA-N 0 3 311.425 3.936 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667924 1028991096 /nfs/dbraw/zinc/99/10/96/1028991096.db2.gz ZZDVZFDSVXHHQQ-QGZVFWFLSA-N 0 3 311.425 3.936 20 10 DHCDHN CC(C)[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000779344870 1029169980 /nfs/dbraw/zinc/16/99/80/1029169980.db2.gz YNXVRUSIVAZOPP-SFHVURJKSA-N 0 3 301.409 3.774 20 10 DHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000155359075 1029227219 /nfs/dbraw/zinc/22/72/19/1029227219.db2.gz JTFHZOYWKOPTQD-HUUCEWRRSA-N 0 3 300.402 3.528 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(N)cc2)c1[O-] ZINC000817957103 1029296805 /nfs/dbraw/zinc/29/68/05/1029296805.db2.gz IZZMLWNLXNTUBI-LBPRGKRZSA-N 0 3 304.821 3.830 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000817985282 1029324231 /nfs/dbraw/zinc/32/42/31/1029324231.db2.gz IWPRUZDGNWUJJL-IUODEOHRSA-N 0 3 308.853 3.761 20 10 DHCDHN CC[C@H]([NH2+]CCCNC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817984118 1029324420 /nfs/dbraw/zinc/32/44/20/1029324420.db2.gz NKIUVDIGHSZQNZ-AWEZNQCLSA-N 0 3 317.260 3.882 20 10 DHCDHN CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000818357140 1029383211 /nfs/dbraw/zinc/38/32/11/1029383211.db2.gz YNMZDBBMYBSEND-CQSZACIVSA-N 0 3 319.445 3.727 20 10 DHCDHN COc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)c([O-])c1 ZINC000529555142 1029409590 /nfs/dbraw/zinc/40/95/90/1029409590.db2.gz FRYXNIMTRJVCLH-UHFFFAOYSA-N 0 3 317.332 3.771 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000865650449 1029959835 /nfs/dbraw/zinc/95/98/35/1029959835.db2.gz KNWGCCLNVLYKSZ-WBVHZDCISA-N 0 3 303.789 3.665 20 10 DHCDHN Cc1ncc([C@H](C)NC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000865703105 1029981157 /nfs/dbraw/zinc/98/11/57/1029981157.db2.gz ULQXJRHXOJCESN-SZZPACECSA-N 0 3 301.459 3.882 20 10 DHCDHN CC(C)OC(=O)C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000290425041 1030042749 /nfs/dbraw/zinc/04/27/49/1030042749.db2.gz KYJWGJIBZPORHI-KRWDZBQOSA-N 0 3 313.397 3.565 20 10 DHCDHN c1cnc2c(c1)[C@H](NCc1ccc(N3CCCC3)cc1)CCC2 ZINC000866227699 1030167735 /nfs/dbraw/zinc/16/77/35/1030167735.db2.gz BNXRERMIMOMPHE-HXUWFJFHSA-N 0 3 307.441 3.849 20 10 DHCDHN CN1CCCc2cc(CN[C@H]3CCCc4ncccc43)ccc21 ZINC000866248887 1030178677 /nfs/dbraw/zinc/17/86/77/1030178677.db2.gz UAYCDXVLKIZFTF-IBGZPJMESA-N 0 3 307.441 3.631 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1([C@@H]3CCCCO3)CCC1)CC2 ZINC000866480500 1030318190 /nfs/dbraw/zinc/31/81/90/1030318190.db2.gz FBOPZMSSDRFJLU-WBVHZDCISA-N 0 3 301.430 3.709 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)c1[O-] ZINC000866634937 1030415177 /nfs/dbraw/zinc/41/51/77/1030415177.db2.gz VYJPJSWFLGFCIY-BXUZGUMPSA-N 0 3 305.809 3.736 20 10 DHCDHN C[C@H](NCc1cc(N)ccn1)c1ccc(N2CCCCC2)cc1 ZINC000925772589 1030490015 /nfs/dbraw/zinc/49/00/15/1030490015.db2.gz UTKMBAQNTSLELU-HNNXBMFYSA-N 0 3 310.445 3.505 20 10 DHCDHN O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC000824820857 1030648426 /nfs/dbraw/zinc/64/84/26/1030648426.db2.gz OWVWGNQPPTVXRT-HNNXBMFYSA-N 0 3 312.369 3.680 20 10 DHCDHN O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC000824820857 1030648453 /nfs/dbraw/zinc/64/84/53/1030648453.db2.gz OWVWGNQPPTVXRT-HNNXBMFYSA-N 0 3 312.369 3.680 20 10 DHCDHN CO[C@@H]([C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000825098385 1030710268 /nfs/dbraw/zinc/71/02/68/1030710268.db2.gz HXSSBYGRDKRXTA-XOBRGWDASA-N 0 3 311.425 3.962 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000825133635 1030735773 /nfs/dbraw/zinc/73/57/73/1030735773.db2.gz JVDYPCVWLUDIHB-INIZCTEOSA-N 0 3 311.425 3.966 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cc(F)ccc1[O-] ZINC000248483329 1030746384 /nfs/dbraw/zinc/74/63/84/1030746384.db2.gz COWDWXFAVRMJOW-APHBMKBZSA-N 0 3 303.381 3.562 20 10 DHCDHN COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(F)ccc3[O-])C2)c1 ZINC000825290135 1030769284 /nfs/dbraw/zinc/76/92/84/1030769284.db2.gz QMBMLRISHAIYOW-CZIWCDLHSA-N 0 3 315.388 3.918 20 10 DHCDHN COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(F)ccc3[O-])C2)c1 ZINC000825290135 1030769305 /nfs/dbraw/zinc/76/93/05/1030769305.db2.gz QMBMLRISHAIYOW-CZIWCDLHSA-N 0 3 315.388 3.918 20 10 DHCDHN CC[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccccc1[O-] ZINC000927158188 1031123808 /nfs/dbraw/zinc/12/38/08/1031123808.db2.gz SQISLNYRMOATGS-XKGZKEIXSA-N 0 3 311.425 3.526 20 10 DHCDHN C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cc(F)ccc1[O-] ZINC000844922896 1031401523 /nfs/dbraw/zinc/40/15/23/1031401523.db2.gz COTQDGAFFMCGPV-BBRMVZONSA-N 0 3 314.404 3.999 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1ccc(C)cc1[O-] ZINC000872123159 1031513903 /nfs/dbraw/zinc/51/39/03/1031513903.db2.gz RZAJZUIQKAOOTA-CQSZACIVSA-N 0 3 312.369 3.788 20 10 DHCDHN CC(F)(F)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000929972721 1031665672 /nfs/dbraw/zinc/66/56/72/1031665672.db2.gz UBIUGIZISWCCPM-HNNXBMFYSA-N 0 3 313.388 3.809 20 10 DHCDHN CC(F)(F)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000929972721 1031665676 /nfs/dbraw/zinc/66/56/76/1031665676.db2.gz UBIUGIZISWCCPM-HNNXBMFYSA-N 0 3 313.388 3.809 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCn1ccnc1 ZINC000293899165 1031685153 /nfs/dbraw/zinc/68/51/53/1031685153.db2.gz WJGHPBWUXCMZAH-IBGZPJMESA-N 0 3 321.424 3.552 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cc3cnccc3o2)cc1 ZINC000845924601 1031777756 /nfs/dbraw/zinc/77/77/56/1031777756.db2.gz LXXNYFXTXVXPNH-UHFFFAOYSA-N 0 3 309.413 3.964 20 10 DHCDHN CC[C@H](OCC[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000846020681 1031810493 /nfs/dbraw/zinc/81/04/93/1031810493.db2.gz NBODHRPLEMMHAK-SFHVURJKSA-N 0 3 303.377 3.789 20 10 DHCDHN CC[C@H](N[C@H](C)c1cccc(OC)c1O)c1c(C)noc1C ZINC000846158424 1031888434 /nfs/dbraw/zinc/88/84/34/1031888434.db2.gz YGPGLSBFCCMPLN-YGRLFVJLSA-N 0 3 304.390 3.808 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H](C)c2cc(F)ccc2OC)c1O ZINC000846140638 1031901018 /nfs/dbraw/zinc/90/10/18/1031901018.db2.gz BURPAXJMQPSXPQ-RYUDHWBXSA-N 0 3 319.376 3.960 20 10 DHCDHN COc1cccc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)c1O ZINC000846146917 1031910871 /nfs/dbraw/zinc/91/08/71/1031910871.db2.gz SWOKXANHXLCXMC-CHWSQXEVSA-N 0 3 303.406 3.590 20 10 DHCDHN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)c(O)c1C ZINC000846183485 1031916373 /nfs/dbraw/zinc/91/63/73/1031916373.db2.gz OTZXEBRGIZBYFR-IYOUNJFTSA-N 0 3 317.404 3.921 20 10 DHCDHN CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000772950706 1032042988 /nfs/dbraw/zinc/04/29/88/1032042988.db2.gz ATPMDTYNRWPPHM-GOSISDBHSA-N 0 3 313.441 3.946 20 10 DHCDHN Cc1cccc(O)c1CN[C@H]1CCc2ccccc2-n2ccnc21 ZINC000877644623 1033395344 /nfs/dbraw/zinc/39/53/44/1033395344.db2.gz XFQGMLMYJHFYEB-KRWDZBQOSA-N 0 3 319.408 3.663 20 10 DHCDHN Cc1cccc(CNCc2ccc(OC(F)F)cc2F)c1O ZINC000877730314 1033423345 /nfs/dbraw/zinc/42/33/45/1033423345.db2.gz VROMWCDQFLJZDL-UHFFFAOYSA-N 0 3 311.303 3.731 20 10 DHCDHN C[C@H]([NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1[O-] ZINC000877757392 1033435416 /nfs/dbraw/zinc/43/54/16/1033435416.db2.gz WXUHBMBKCQIAOL-NSHDSACASA-N 0 3 313.426 3.830 20 10 DHCDHN Cc1cc(C)c(C[NH2+]C2CCC3(CCOCC3)CC2)c([O-])c1 ZINC001173042675 1033508544 /nfs/dbraw/zinc/50/85/44/1033508544.db2.gz HRPFSTFRBOJHIK-UHFFFAOYSA-N 0 3 303.446 3.838 20 10 DHCDHN C[C@H](NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152947179 1033551878 /nfs/dbraw/zinc/55/18/78/1033551878.db2.gz LCAIVIYHNXDDRQ-HNNXBMFYSA-N 0 3 314.404 3.513 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(F)c1 ZINC000879648889 1034071503 /nfs/dbraw/zinc/07/15/03/1034071503.db2.gz FVGAZQGNVZHWTR-CHWSQXEVSA-N 0 3 316.376 3.518 20 10 DHCDHN Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3ccccc3[O-])c2cc1C ZINC000879648369 1034072596 /nfs/dbraw/zinc/07/25/96/1034072596.db2.gz LPZMTLCKJMVVKV-CQSZACIVSA-N 0 3 323.392 3.966 20 10 DHCDHN C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000879648907 1034072705 /nfs/dbraw/zinc/07/27/05/1034072705.db2.gz FZCAPQRUTAOCLW-CQSZACIVSA-N 0 3 323.396 3.726 20 10 DHCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC(F)F ZINC000178857266 1034269833 /nfs/dbraw/zinc/26/98/33/1034269833.db2.gz SKCSPZZMCYZBRG-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC(F)F ZINC000178857266 1034269844 /nfs/dbraw/zinc/26/98/44/1034269844.db2.gz SKCSPZZMCYZBRG-UHFFFAOYSA-N 0 3 323.339 3.634 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccccc1[O-] ZINC000183397593 1034382230 /nfs/dbraw/zinc/38/22/30/1034382230.db2.gz BKJSKCDINUEGGA-AWEZNQCLSA-N 0 3 324.424 3.982 20 10 DHCDHN COc1ccc(CCC[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183449103 1034388123 /nfs/dbraw/zinc/38/81/23/1034388123.db2.gz QTCWEKXEDQQPIF-AWEZNQCLSA-N 0 3 315.413 3.693 20 10 DHCDHN COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183534402 1034397109 /nfs/dbraw/zinc/39/71/09/1034397109.db2.gz HPWDEDJPSAFJMP-ZIAGYGMSSA-N 0 3 301.386 3.519 20 10 DHCDHN COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183535041 1034397764 /nfs/dbraw/zinc/39/77/64/1034397764.db2.gz RXVFLERGFJHAAO-KGLIPLIRSA-N 0 3 301.386 3.519 20 10 DHCDHN COC[C@H](N[C@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644616 1034406547 /nfs/dbraw/zinc/40/65/47/1034406547.db2.gz YVVTZHDULPZLMR-BZNIZROVSA-N 0 3 307.340 3.709 20 10 DHCDHN COC[C@@H](N[C@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644648 1034408524 /nfs/dbraw/zinc/40/85/24/1034408524.db2.gz YVVTZHDULPZLMR-BDJLRTHQSA-N 0 3 307.340 3.709 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000794801759 1034473472 /nfs/dbraw/zinc/47/34/72/1034473472.db2.gz KYRCLDCETOJECI-CYGHRXIMSA-N 0 3 303.446 3.945 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794808387 1034498907 /nfs/dbraw/zinc/49/89/07/1034498907.db2.gz ASFLLGPCQGDFKC-SNRMKQJTSA-N 0 3 313.441 3.906 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000184918308 1034513273 /nfs/dbraw/zinc/51/32/73/1034513273.db2.gz CYQRQLXDNWVXDC-SJKOYZFVSA-N 0 3 305.805 3.738 20 10 DHCDHN CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1ccc(C)cc1[O-] ZINC000794813106 1034520132 /nfs/dbraw/zinc/52/01/32/1034520132.db2.gz BXTNLSJNXKDJTC-LSDHHAIUSA-N 0 3 305.443 3.845 20 10 DHCDHN CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1[O-] ZINC000794815869 1034527068 /nfs/dbraw/zinc/52/70/68/1034527068.db2.gz MAYVKFAFDCTONV-KRWDZBQOSA-N 0 3 314.385 3.892 20 10 DHCDHN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000185085564 1034527758 /nfs/dbraw/zinc/52/77/58/1034527758.db2.gz VSEMKDOYQKWJDI-ZDUSSCGKSA-N 0 3 317.408 3.623 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccccc1[O-] ZINC000185211832 1034536110 /nfs/dbraw/zinc/53/61/10/1034536110.db2.gz SZEFGENZYVKPCU-KRWDZBQOSA-N 0 3 303.377 3.919 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(C)cc1[O-] ZINC000794817789 1034538080 /nfs/dbraw/zinc/53/80/80/1034538080.db2.gz QVGQXJASVMBYLL-DOTOQJQBSA-N 0 3 321.367 3.753 20 10 DHCDHN C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185838976 1034577757 /nfs/dbraw/zinc/57/77/57/1034577757.db2.gz HXVYSFSTMKQRHR-SOZUMNATSA-N 0 3 321.367 3.833 20 10 DHCDHN C[C@@H](N[C@H](CCO)c1ccco1)c1cc2c(cc1O)CCCC2 ZINC000186532553 1034639053 /nfs/dbraw/zinc/63/90/53/1034639053.db2.gz STYNFEHZFOXTNF-CXAGYDPISA-N 0 3 315.413 3.638 20 10 DHCDHN CCSc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccn1 ZINC000187792238 1034734544 /nfs/dbraw/zinc/73/45/44/1034734544.db2.gz FGFIXYILQHFYJI-NSHDSACASA-N 0 3 306.406 3.889 20 10 DHCDHN CCOCc1cc(CNCc2ccc(F)cc2)ccc1OC ZINC001177092326 1035349210 /nfs/dbraw/zinc/34/92/10/1035349210.db2.gz CBTLSBBNSMUAHU-UHFFFAOYSA-N 0 3 303.377 3.661 20 10 DHCDHN Cc1ccc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC001180149091 1035609819 /nfs/dbraw/zinc/60/98/19/1035609819.db2.gz UOAQEJJUAQKDJT-OXQOHEQNSA-N 0 3 311.425 3.971 20 10 DHCDHN CCCCN(Cc1ccccc1O)[C@@H](C(=O)OC)[C@H](C)CC ZINC001193840256 1035737498 /nfs/dbraw/zinc/73/74/98/1035737498.db2.gz YAEAEGWPTSHGPC-RHSMWYFYSA-N 0 3 307.434 3.582 20 10 DHCDHN Cc1cccc(OCCC[NH2+]Cc2cc(F)ccc2[O-])c1C ZINC001181391464 1035911352 /nfs/dbraw/zinc/91/13/52/1035911352.db2.gz YOPFSNSYRUSOMC-UHFFFAOYSA-N 0 3 303.377 3.707 20 10 DHCDHN Cc1cccc(CN2CCN(C/C=C\c3ccccc3)CC2)c1O ZINC000775639498 1036150101 /nfs/dbraw/zinc/15/01/01/1036150101.db2.gz XRNGSAIYZIHHEU-POHAHGRESA-N 0 3 322.452 3.532 20 10 DHCDHN Cc1cccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)c1O ZINC000775657734 1036261998 /nfs/dbraw/zinc/26/19/98/1036261998.db2.gz GYZRRGBUTOFKBE-GOSISDBHSA-N 0 3 321.424 3.924 20 10 DHCDHN CCCCn1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774475419 1036353246 /nfs/dbraw/zinc/35/32/46/1036353246.db2.gz SMUCAWGZPKBKDK-HNNXBMFYSA-N 0 3 314.477 3.908 20 10 DHCDHN CCc1cccc(CN(CC2CC2)[C@@](C)(CC)C(=O)OC)c1O ZINC001182480999 1036368489 /nfs/dbraw/zinc/36/84/89/1036368489.db2.gz YDLNMTZKYHRHSI-IBGZPJMESA-N 0 3 319.445 3.508 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000775681912 1036413277 /nfs/dbraw/zinc/41/32/77/1036413277.db2.gz UQELJHFHRVHULN-UHFFFAOYSA-N 0 3 319.832 3.739 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000775681912 1036413284 /nfs/dbraw/zinc/41/32/84/1036413284.db2.gz UQELJHFHRVHULN-UHFFFAOYSA-N 0 3 319.832 3.739 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(Cl)cc1 ZINC001197004189 1036667352 /nfs/dbraw/zinc/66/73/52/1036667352.db2.gz PJRNHIWVKCMSCA-RYUDHWBXSA-N 0 3 318.804 3.723 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1[O-] ZINC001184250599 1036788324 /nfs/dbraw/zinc/78/83/24/1036788324.db2.gz GBVVHLLGQPDWDF-LERXQTSPSA-N 0 3 310.235 3.741 20 10 DHCDHN Cc1cc([O-])c(C[NH2+]C[C@H](C(C)C)N2CCCC2)c(Cl)c1 ZINC001199161221 1037209366 /nfs/dbraw/zinc/20/93/66/1037209366.db2.gz IMGHFDHRGGAUHW-MRXNPFEDSA-N 0 3 310.869 3.564 20 10 DHCDHN CCOCc1cc(CNCc2sccc2C)ccc1OC ZINC001199842932 1037347883 /nfs/dbraw/zinc/34/78/83/1037347883.db2.gz JNIZKIOHUNTXLX-UHFFFAOYSA-N 0 3 305.443 3.891 20 10 DHCDHN COc1cc(C)c(C[NH2+]CCC2CC(OC(C)(C)C)C2)c([O-])c1 ZINC001205403228 1038000487 /nfs/dbraw/zinc/00/04/87/1038000487.db2.gz VVQCRNMKAYMJNS-UHFFFAOYSA-N 0 3 321.461 3.783 20 10 DHCDHN CC[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1[O-] ZINC000156571221 1038141274 /nfs/dbraw/zinc/14/12/74/1038141274.db2.gz FSDLDKOTKAJXKD-KRWDZBQOSA-N 0 3 318.461 3.520 20 10 DHCDHN C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775363144 1038273524 /nfs/dbraw/zinc/27/35/24/1038273524.db2.gz KQFSWEYPIXIXCG-AWEZNQCLSA-N 0 3 300.450 3.555 20 10 DHCDHN CC[C@@H]([NH2+]CCCOc1ccc(OC)cc1)c1ccccc1[O-] ZINC000775410486 1038381911 /nfs/dbraw/zinc/38/19/11/1038381911.db2.gz ADSIMZCSLVLQIP-GOSISDBHSA-N 0 3 315.413 3.911 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000775490305 1038562345 /nfs/dbraw/zinc/56/23/45/1038562345.db2.gz BKNLKEYHYRALKM-KRWDZBQOSA-N 0 3 322.880 3.961 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000775488568 1038562988 /nfs/dbraw/zinc/56/29/88/1038562988.db2.gz OMVPRLYDSPXHIM-JYJNAYRXSA-N 0 3 308.853 3.713 20 10 DHCDHN COC[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C(C)C ZINC001192014508 1038579594 /nfs/dbraw/zinc/57/95/94/1038579594.db2.gz SSVLPYVFYMPIMY-KRWDZBQOSA-N 0 3 317.429 3.906 20 10 DHCDHN COC[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C(C)C ZINC001192014508 1038579600 /nfs/dbraw/zinc/57/96/00/1038579600.db2.gz SSVLPYVFYMPIMY-KRWDZBQOSA-N 0 3 317.429 3.906 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccccc1[O-] ZINC000775497834 1038581348 /nfs/dbraw/zinc/58/13/48/1038581348.db2.gz WEFSNGNGFIPKTO-KRWDZBQOSA-N 0 3 315.413 3.693 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775551996 1038709525 /nfs/dbraw/zinc/70/95/25/1038709525.db2.gz QJAIHXZDFDUYTC-LPHOPBHVSA-N 0 3 311.425 3.999 20 10 DHCDHN C[N@H+](CCCNCc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000158078815 1039937985 /nfs/dbraw/zinc/93/79/85/1039937985.db2.gz HUPKFPVASMJXJZ-UHFFFAOYSA-N 0 3 310.869 3.790 20 10 DHCDHN C[N@@H+](CCCNCc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000158078815 1039938002 /nfs/dbraw/zinc/93/80/02/1039938002.db2.gz HUPKFPVASMJXJZ-UHFFFAOYSA-N 0 3 310.869 3.790 20 10 DHCDHN CCN(CC[NH2+][C@H](C)c1ccc(C)cc1[O-])C(=O)OC(C)(C)C ZINC000230660477 1039954722 /nfs/dbraw/zinc/95/47/22/1039954722.db2.gz SNTKSRSEKUDWQU-CQSZACIVSA-N 0 3 322.449 3.608 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1[O-] ZINC000230934571 1040059963 /nfs/dbraw/zinc/05/99/63/1040059963.db2.gz QTSLUNVYOQKTOX-STQMWFEESA-N 0 3 315.866 3.818 20 10 DHCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1cc2ccccc2o1 ZINC000063255971 1040169040 /nfs/dbraw/zinc/16/90/40/1040169040.db2.gz DKARAZAATFBYCZ-LLVKDONJSA-N 0 3 311.337 3.718 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)c(F)c2)c1[O-] ZINC000761198741 1040563961 /nfs/dbraw/zinc/56/39/61/1040563961.db2.gz SSOUTNDPCBJYSZ-UHFFFAOYSA-N 0 3 309.768 3.792 20 10 DHCDHN CCCO[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])CC1 ZINC000093317107 193230511 /nfs/dbraw/zinc/23/05/11/193230511.db2.gz GJTXSHMVFQLNHP-MRXNPFEDSA-N 0 3 307.434 3.572 20 10 DHCDHN CCCO[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])CC1 ZINC000093317107 193230512 /nfs/dbraw/zinc/23/05/12/193230512.db2.gz GJTXSHMVFQLNHP-MRXNPFEDSA-N 0 3 307.434 3.572 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000272843580 130069171 /nfs/dbraw/zinc/06/91/71/130069171.db2.gz JWUKIAOHLVSULU-ZUZCIYMTSA-N 0 3 309.768 3.569 20 10 DHCDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272901950 130072261 /nfs/dbraw/zinc/07/22/61/130072261.db2.gz VFGJIHYKSSIUAF-JCGVRSQUSA-N 0 3 303.377 3.958 20 10 DHCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000272905128 130074212 /nfs/dbraw/zinc/07/42/12/130074212.db2.gz VUUPGWRLLYIAIU-BIENJYKASA-N 0 3 315.413 3.828 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000273343768 130110118 /nfs/dbraw/zinc/11/01/18/130110118.db2.gz AFKMKBFYFAKZLO-GJZGRUSLSA-N 0 3 319.445 3.933 20 10 DHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273500983 130128941 /nfs/dbraw/zinc/12/89/41/130128941.db2.gz QDFBMKMUESISND-HUUCEWRRSA-N 0 3 321.486 3.796 20 10 DHCDHN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2c(cc1O)CCCC2 ZINC000273527093 130131968 /nfs/dbraw/zinc/13/19/68/130131968.db2.gz VNHPKJGONPXUMW-SJKOYZFVSA-N 0 3 311.429 3.722 20 10 DHCDHN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cc2c(cc1O)CCCC2 ZINC000273527099 130132026 /nfs/dbraw/zinc/13/20/26/130132026.db2.gz VNHPKJGONPXUMW-YVEFUNNKSA-N 0 3 311.429 3.722 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c([O-])c1C ZINC000273582528 130139885 /nfs/dbraw/zinc/13/98/85/130139885.db2.gz NAYYEFSENIJBTC-OAHLLOKOSA-N 0 3 302.462 3.677 20 10 DHCDHN CN(C)c1ccc(C[NH2+]Cc2ccccc2[O-])c(C(F)(F)F)c1 ZINC000280844336 130821519 /nfs/dbraw/zinc/82/15/19/130821519.db2.gz KVVXDHBAPJPXDR-UHFFFAOYSA-N 0 3 324.346 3.767 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(C)cc1[O-] ZINC000284383731 131076279 /nfs/dbraw/zinc/07/62/79/131076279.db2.gz ONTSNFVTMORNQC-CQSZACIVSA-N 0 3 322.355 3.938 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284407304 131078226 /nfs/dbraw/zinc/07/82/26/131078226.db2.gz QDXAZPPHFBMPGX-KGLIPLIRSA-N 0 3 300.229 3.716 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284407304 131078227 /nfs/dbraw/zinc/07/82/27/131078227.db2.gz QDXAZPPHFBMPGX-KGLIPLIRSA-N 0 3 300.229 3.716 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)cc1[O-] ZINC000285719546 131196181 /nfs/dbraw/zinc/19/61/81/131196181.db2.gz QAOJHJSAHXTULA-QGZVFWFLSA-N 0 3 308.441 3.692 20 10 DHCDHN Cc1c2ccccc2n(C)c1CNc1cc(CN(C)C)ccn1 ZINC000287855019 131303661 /nfs/dbraw/zinc/30/36/61/131303661.db2.gz XMNAGPCGCUMUNW-UHFFFAOYSA-N 0 3 308.429 3.555 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])c1ccc(OC)c(OC)c1 ZINC000289313227 131373436 /nfs/dbraw/zinc/37/34/36/131373436.db2.gz DXUNLGBDXBCCOQ-MRXNPFEDSA-N 0 3 315.413 3.959 20 10 DHCDHN CCCCOc1ccccc1CNCc1cccc(OC)c1O ZINC000289521804 131392800 /nfs/dbraw/zinc/39/28/00/131392800.db2.gz VMEBUWMIPBXGJY-UHFFFAOYSA-N 0 3 315.413 3.870 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1OCCc2sccc21 ZINC000297346477 132010962 /nfs/dbraw/zinc/01/09/62/132010962.db2.gz OXESGWDSUSCXPA-KQYVJACZSA-N 0 3 315.438 3.733 20 10 DHCDHN Cc1csc(CCCC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000297875499 132038447 /nfs/dbraw/zinc/03/84/47/132038447.db2.gz UTWRZDAOTGIHEB-AWEZNQCLSA-N 0 3 302.443 3.757 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(-n2cccn2)cc1 ZINC000297957728 132042377 /nfs/dbraw/zinc/04/23/77/132042377.db2.gz ZCARLVYRJRSGAQ-KBXCAEBGSA-N 0 3 319.408 3.916 20 10 DHCDHN CCOc1cccc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)c1O ZINC000295123133 335132586 /nfs/dbraw/zinc/13/25/86/335132586.db2.gz WVQMNOVMKCRUEY-CZUORRHYSA-N 0 3 313.397 3.793 20 10 DHCDHN C[C@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(Cl)c1 ZINC000296335863 335143577 /nfs/dbraw/zinc/14/35/77/335143577.db2.gz GQEXIQLAOMGNMC-QAPCUYQASA-N 0 3 317.816 3.530 20 10 DHCDHN C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297129006 335149964 /nfs/dbraw/zinc/14/99/64/335149964.db2.gz YVOIFTFPXHYNKB-KYOSRNDESA-N 0 3 303.427 3.543 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c([O-])c1C ZINC000273464254 334047461 /nfs/dbraw/zinc/04/74/61/334047461.db2.gz DJRUTDAHPHBECB-CXAGYDPISA-N 0 3 305.443 3.629 20 10 DHCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278402160 334095789 /nfs/dbraw/zinc/09/57/89/334095789.db2.gz OITFTJNGZFLTBG-LLVKDONJSA-N 0 3 303.324 3.565 20 10 DHCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278402160 334095790 /nfs/dbraw/zinc/09/57/90/334095790.db2.gz OITFTJNGZFLTBG-LLVKDONJSA-N 0 3 303.324 3.565 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000285416364 334147787 /nfs/dbraw/zinc/14/77/87/334147787.db2.gz XXVSVYRJUNGNMJ-SUMWQHHRSA-N 0 3 303.377 3.532 20 10 DHCDHN CCCOc1ccc(C[NH2+]CCCc2cccc(C)n2)c([O-])c1 ZINC000285709381 334149744 /nfs/dbraw/zinc/14/97/44/334149744.db2.gz WHDMJHJIFCPOJL-UHFFFAOYSA-N 0 3 314.429 3.607 20 10 DHCDHN C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(F)ccc1[O-] ZINC000289802809 334168011 /nfs/dbraw/zinc/16/80/11/334168011.db2.gz OBICEHQREPUDFK-APPDUMDISA-N 0 3 321.417 3.732 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000375254462 337006656 /nfs/dbraw/zinc/00/66/56/337006656.db2.gz ZEWHIXZDUQXMGW-SFHVURJKSA-N 0 3 313.445 3.939 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000378624640 337076930 /nfs/dbraw/zinc/07/69/30/337076930.db2.gz NVAYZPFANFXEBF-GXTWGEPZSA-N 0 3 318.367 3.600 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c([O-])c1 ZINC000359972220 337441119 /nfs/dbraw/zinc/44/11/19/337441119.db2.gz FHNZOSCKNAUXMR-OAHLLOKOSA-N 0 3 321.424 3.952 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[O-] ZINC000248541656 337564426 /nfs/dbraw/zinc/56/44/26/337564426.db2.gz CBDRYYUHWUMERX-ATLSCFEFSA-N 0 3 301.430 3.781 20 10 DHCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])OC)c1 ZINC000527923890 337775476 /nfs/dbraw/zinc/77/54/76/337775476.db2.gz FDKQIPSPAQXUED-AUUYWEPGSA-N 0 3 315.413 3.748 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1[O-] ZINC000155852777 522646559 /nfs/dbraw/zinc/64/65/59/522646559.db2.gz DNMWHZFDGHAVTR-SFHVURJKSA-N 0 3 316.420 3.834 20 10 DHCDHN CC[C@H](NCc1ccc(OC)c(O)c1)c1ccc(N(C)C)cc1 ZINC000178409818 522647922 /nfs/dbraw/zinc/64/79/22/522647922.db2.gz DZZQXFSRYWKIKH-KRWDZBQOSA-N 0 3 314.429 3.708 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1[O-] ZINC000364909079 522717835 /nfs/dbraw/zinc/71/78/35/522717835.db2.gz RZRWVOBEXSOSHD-ZWKOTPCHSA-N 0 3 324.424 3.931 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000266269861 522868498 /nfs/dbraw/zinc/86/84/98/522868498.db2.gz BMYIFPDMCSPUGO-QAPCUYQASA-N 0 3 321.367 3.581 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000266269857 522869361 /nfs/dbraw/zinc/86/93/61/522869361.db2.gz BMYIFPDMCSPUGO-CRAIPNDOSA-N 0 3 321.367 3.581 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000155865317 522911913 /nfs/dbraw/zinc/91/19/13/522911913.db2.gz FQUJIFFMWYXOOK-XZOAIXRZSA-N 0 3 303.377 3.694 20 10 DHCDHN CC[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000155864849 522919390 /nfs/dbraw/zinc/91/93/90/522919390.db2.gz RMIZYWDCSMQJAV-CRAIPNDOSA-N 0 3 324.424 3.518 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1[O-] ZINC000364909076 522949604 /nfs/dbraw/zinc/94/96/04/522949604.db2.gz RZRWVOBEXSOSHD-MSOLQXFVSA-N 0 3 324.424 3.931 20 10 DHCDHN COc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000155410391 524089596 /nfs/dbraw/zinc/08/95/96/524089596.db2.gz CWCJTJKIHGCTGN-JLCFBVMHSA-N 0 3 317.454 3.592 20 10 DHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(Cl)c2)c1 ZINC000182405150 524772247 /nfs/dbraw/zinc/77/22/47/524772247.db2.gz ULJRGSMNOSJDAM-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000182405150 524772261 /nfs/dbraw/zinc/77/22/61/524772261.db2.gz ULJRGSMNOSJDAM-NSHDSACASA-N 0 3 321.804 3.914 20 10 DHCDHN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000266223319 525322177 /nfs/dbraw/zinc/32/21/77/525322177.db2.gz RUUQALBBMDADKI-CQSZACIVSA-N 0 3 324.424 3.745 20 10 DHCDHN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186075472 525706988 /nfs/dbraw/zinc/70/69/88/525706988.db2.gz YEEFJOQIKIHUHI-KBPBESRZSA-N 0 3 305.462 3.719 20 10 DHCDHN Cc1c([C@@H](C)NCc2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000191129585 525898358 /nfs/dbraw/zinc/89/83/58/525898358.db2.gz KZPHNXNRMYIENJ-CQSZACIVSA-N 0 3 314.477 3.863 20 10 DHCDHN COc1cccc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1[O-] ZINC000266184687 526021220 /nfs/dbraw/zinc/02/12/20/526021220.db2.gz WKYJVBITCGXMLK-MRXNPFEDSA-N 0 3 321.804 3.532 20 10 DHCDHN Cc1nc2c(s1)[C@H](N(C)Cc1cccc(C)c1O)CCC2 ZINC000180231660 527110507 /nfs/dbraw/zinc/11/05/07/527110507.db2.gz VUBDZXVKPVYMHS-OAHLLOKOSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C)c1[O-])CCC2 ZINC000180231660 527110514 /nfs/dbraw/zinc/11/05/14/527110514.db2.gz VUBDZXVKPVYMHS-OAHLLOKOSA-N 0 3 302.443 3.975 20 10 DHCDHN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(C)c1[O-])CCC2 ZINC000180231660 527110519 /nfs/dbraw/zinc/11/05/19/527110519.db2.gz VUBDZXVKPVYMHS-OAHLLOKOSA-N 0 3 302.443 3.975 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(C)cc1[O-] ZINC000280014710 535805791 /nfs/dbraw/zinc/80/57/91/535805791.db2.gz GXKMJDOEPJKKPK-GOSISDBHSA-N 0 3 322.412 3.522 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccccc1[O-] ZINC000274874679 535911242 /nfs/dbraw/zinc/91/12/42/535911242.db2.gz GJDORPNELJBBIJ-JKSUJKDBSA-N 0 3 304.459 3.797 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279609484 535911492 /nfs/dbraw/zinc/91/14/92/535911492.db2.gz XFCPLPZUPKYPBW-RDJZCZTQSA-N 0 3 323.795 3.959 20 10 DHCDHN CCOc1ccc(C[N@H+](CCO)C2CCC(CC)CC2)c([O-])c1 ZINC000754155655 1013435694 /nfs/dbraw/zinc/43/56/94/1013435694.db2.gz YYXXZIXHXNDUTK-UHFFFAOYSA-N 0 3 321.461 3.554 20 10 DHCDHN CCOc1ccc(C[N@@H+](CCO)C2CCC(CC)CC2)c([O-])c1 ZINC000754155655 1013435699 /nfs/dbraw/zinc/43/56/99/1013435699.db2.gz YYXXZIXHXNDUTK-UHFFFAOYSA-N 0 3 321.461 3.554 20 10 DHCDHN COc1cc(C)cc(CNC(C)(C)c2ccccc2F)c1O ZINC000894851248 1013537819 /nfs/dbraw/zinc/53/78/19/1013537819.db2.gz OIAYBRDJOPQPAT-UHFFFAOYSA-N 0 3 303.377 3.873 20 10 DHCDHN Cc1ncc([C@H](C)NCc2ccc3c(c2)CCCN3C)s1 ZINC000090406463 1013709628 /nfs/dbraw/zinc/70/96/28/1013709628.db2.gz IBTRCFWGBCUWDY-LBPRGKRZSA-N 0 3 301.459 3.685 20 10 DHCDHN CC(C)(NCc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 ZINC000175988375 1014638718 /nfs/dbraw/zinc/63/87/18/1014638718.db2.gz DKRXTGZOMIDUBT-UHFFFAOYSA-N 0 3 303.352 3.925 20 10 DHCDHN COc1cc(C)cc(CN[C@H](C)c2cc3cnccc3o2)c1O ZINC000895465321 1015170440 /nfs/dbraw/zinc/17/04/40/1015170440.db2.gz AYQJWVLMEODPKI-GFCCVEGCSA-N 0 3 312.369 3.701 20 10 DHCDHN COc1ccc(C2CC2)cc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000895539117 1015195608 /nfs/dbraw/zinc/19/56/08/1015195608.db2.gz PBPSRLRKHVQZQT-UHFFFAOYSA-N 0 3 301.361 3.707 20 10 DHCDHN COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000895640723 1015239217 /nfs/dbraw/zinc/23/92/17/1015239217.db2.gz QYSNNWDKSFDEEC-HNNXBMFYSA-N 0 3 317.360 3.543 20 10 DHCDHN Cc1noc(C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])c2ccccc2)n1 ZINC000277178445 1016015754 /nfs/dbraw/zinc/01/57/54/1016015754.db2.gz SSJKXRBKIZNQTE-GUYCJALGSA-N 0 3 323.396 3.718 20 10 DHCDHN CCCOc1ncccc1CN[C@H](C)c1cc(C)ccc1O ZINC000185143133 1016624862 /nfs/dbraw/zinc/62/48/62/1016624862.db2.gz RZTYBXWFLXZHLT-CQSZACIVSA-N 0 3 300.402 3.735 20 10 DHCDHN CC[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1[O-] ZINC000185213428 1016750757 /nfs/dbraw/zinc/75/07/57/1016750757.db2.gz KQRVUJCGQOMRNZ-OAHLLOKOSA-N 0 3 307.340 3.790 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(F)ccc1[O-] ZINC000185323550 1016859681 /nfs/dbraw/zinc/85/96/81/1016859681.db2.gz VTRMPCXXWJBQHA-LBPRGKRZSA-N 0 3 317.360 3.543 20 10 DHCDHN COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185580253 1017030349 /nfs/dbraw/zinc/03/03/49/1017030349.db2.gz MIKCYWFQCVSOAJ-HUUCEWRRSA-N 0 3 315.413 3.827 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cc(F)ccc2OC)c1 ZINC000192809089 1017066440 /nfs/dbraw/zinc/06/64/40/1017066440.db2.gz FLOIBBAPTAQRGH-RYUDHWBXSA-N 0 3 319.376 3.960 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)c([O-])c1 ZINC000185647141 1017079355 /nfs/dbraw/zinc/07/93/55/1017079355.db2.gz YLGBPCITNGYCRS-GFCCVEGCSA-N 0 3 307.340 3.708 20 10 DHCDHN Cc1ccsc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000160194315 1011990139 /nfs/dbraw/zinc/99/01/39/1011990139.db2.gz BDCKCJSLFNKDOH-MRXNPFEDSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1ccsc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000160194315 1011990152 /nfs/dbraw/zinc/99/01/52/1011990152.db2.gz BDCKCJSLFNKDOH-MRXNPFEDSA-N 0 3 317.454 3.943 20 10 DHCDHN C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172855594 1033424308 /nfs/dbraw/zinc/42/43/08/1033424308.db2.gz DTSOIRWWMSNIPZ-SNVBAGLBSA-N 0 3 309.768 3.611 20 10 DHCDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccnnc1 ZINC000925011258 1012767037 /nfs/dbraw/zinc/76/70/37/1012767037.db2.gz KSOXCBMHDJLMSQ-MRXNPFEDSA-N 0 3 310.445 3.564 20 10 DHCDHN CCOc1cc(C)ccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000185706357 1017121221 /nfs/dbraw/zinc/12/12/21/1017121221.db2.gz BYDHIJKZZGRKRZ-AWEZNQCLSA-N 0 3 315.413 3.959 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000192864123 1017166391 /nfs/dbraw/zinc/16/63/91/1017166391.db2.gz GTPVBVKLFCYCFU-INIZCTEOSA-N 0 3 315.413 3.693 20 10 DHCDHN Cc1cc(N(C)C)ccc1CNCc1cnn(-c2ccccc2)c1 ZINC000115629336 1032684053 /nfs/dbraw/zinc/68/40/53/1032684053.db2.gz LWHBMIYROIHGMU-UHFFFAOYSA-N 0 3 320.440 3.537 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c([O-])c1 ZINC000186033846 1017649206 /nfs/dbraw/zinc/64/92/06/1017649206.db2.gz ZNMKVENZJFWLNH-ZDUSSCGKSA-N 0 3 316.470 3.929 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1[O-] ZINC001171456482 1032718043 /nfs/dbraw/zinc/71/80/43/1032718043.db2.gz BIUSFAXNCIKLLK-SMDDNHRTSA-N 0 3 303.352 3.879 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000926915833 1032733779 /nfs/dbraw/zinc/73/37/79/1032733779.db2.gz MAWFGJDFIHPCEB-YWPYICTPSA-N 0 3 317.351 3.851 20 10 DHCDHN CC[C@@H]([NH2+][C@]1(CO)CCCc2ccccc21)c1ccccc1[O-] ZINC000367328570 1018152216 /nfs/dbraw/zinc/15/22/16/1018152216.db2.gz ZVIKCAYMMRMRTC-QUCCMNQESA-N 0 3 311.425 3.657 20 10 DHCDHN C[C@@H](NCc1cnn(CC2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000922015689 1019314762 /nfs/dbraw/zinc/31/47/62/1019314762.db2.gz RXURIWJDBQNWCZ-OAHLLOKOSA-N 0 3 312.461 3.600 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c([O-])c1 ZINC000186183861 1019613754 /nfs/dbraw/zinc/61/37/54/1019613754.db2.gz YAGVSTOOXFUVAJ-HUUCEWRRSA-N 0 3 322.412 3.693 20 10 DHCDHN CC[C@H](C)N(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000727161319 1019661796 /nfs/dbraw/zinc/66/17/96/1019661796.db2.gz HAOFNEJTJCQJKZ-INIZCTEOSA-N 0 3 312.457 3.879 20 10 DHCDHN CN1CCCc2cc(CNCc3cnc4ccccc4c3)ccc21 ZINC000727470066 1019719249 /nfs/dbraw/zinc/71/92/49/1019719249.db2.gz YZVLWLCKWFXEKP-UHFFFAOYSA-N 0 3 317.436 3.907 20 10 DHCDHN CCC[N@H+](CCOc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000727831229 1019819462 /nfs/dbraw/zinc/81/94/62/1019819462.db2.gz PMDUUPRIMMVTQC-UHFFFAOYSA-N 0 3 315.413 3.692 20 10 DHCDHN CCC[N@@H+](CCOc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000727831229 1019819478 /nfs/dbraw/zinc/81/94/78/1019819478.db2.gz PMDUUPRIMMVTQC-UHFFFAOYSA-N 0 3 315.413 3.692 20 10 DHCDHN CCOc1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)c([O-])c1 ZINC000730818360 1020029635 /nfs/dbraw/zinc/02/96/35/1020029635.db2.gz PSYQYCWHLYELLL-UHFFFAOYSA-N 0 3 324.424 3.995 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000731041621 1020060659 /nfs/dbraw/zinc/06/06/59/1020060659.db2.gz KHHHXTOIRSMCNN-FQEVSTJZSA-N 0 3 322.452 3.633 20 10 DHCDHN O=c1[nH]cc(CNCc2ccc3c(c2)CCCO3)c2ccccc12 ZINC000922494234 1020099610 /nfs/dbraw/zinc/09/96/10/1020099610.db2.gz XQQFFJWISCSCCY-UHFFFAOYSA-N 0 3 320.392 3.555 20 10 DHCDHN CC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000732184565 1020207892 /nfs/dbraw/zinc/20/78/92/1020207892.db2.gz CVYLSJNXLGARSK-GDBMZVCRSA-N 0 3 305.462 3.997 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000186302882 1020221734 /nfs/dbraw/zinc/22/17/34/1020221734.db2.gz YBRDJSNQUDFFKH-CMKODMSKSA-N 0 3 310.441 3.878 20 10 DHCDHN CCOc1cccc(CN[C@@H](C)c2ccccc2OC)c1O ZINC000378915789 1020525233 /nfs/dbraw/zinc/52/52/33/1020525233.db2.gz WCLDSSCINXVPNU-ZDUSSCGKSA-N 0 3 301.386 3.650 20 10 DHCDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000766043560 1020564561 /nfs/dbraw/zinc/56/45/61/1020564561.db2.gz MURBXFJYSAGMAF-ACJLOTCBSA-N 0 3 310.445 3.579 20 10 DHCDHN CCC[N@H+](CCc1nc2ccccc2n1C)Cc1ccccc1[O-] ZINC000736309917 1020806732 /nfs/dbraw/zinc/80/67/32/1020806732.db2.gz HWDLDLWEKDOGRS-UHFFFAOYSA-N 0 3 323.440 3.734 20 10 DHCDHN CCC[N@@H+](CCc1nc2ccccc2n1C)Cc1ccccc1[O-] ZINC000736309917 1020806738 /nfs/dbraw/zinc/80/67/38/1020806738.db2.gz HWDLDLWEKDOGRS-UHFFFAOYSA-N 0 3 323.440 3.734 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000742372948 1021113599 /nfs/dbraw/zinc/11/35/99/1021113599.db2.gz YXMVEEVGZOVOBA-INIZCTEOSA-N 0 3 322.456 3.987 20 10 DHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1C ZINC000742375631 1021114449 /nfs/dbraw/zinc/11/44/49/1021114449.db2.gz SRFYMWWKYLFNRA-KXBFYZLASA-N 0 3 310.441 3.632 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cc(F)ccc1[O-] ZINC000176985237 1021191418 /nfs/dbraw/zinc/19/14/18/1021191418.db2.gz XLNNGUGNSPCUNI-QWHCGFSZSA-N 0 3 303.377 3.909 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743870572 1021397370 /nfs/dbraw/zinc/39/73/70/1021397370.db2.gz XXEKJHHCVHTDTD-HXUWFJFHSA-N 0 3 313.441 3.955 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743870572 1021397384 /nfs/dbraw/zinc/39/73/84/1021397384.db2.gz XXEKJHHCVHTDTD-HXUWFJFHSA-N 0 3 313.441 3.955 20 10 DHCDHN COc1cc(CNCc2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850077701 1021412817 /nfs/dbraw/zinc/41/28/17/1021412817.db2.gz PORVQZPAWOVKEQ-UHFFFAOYSA-N 0 3 318.417 3.593 20 10 DHCDHN O[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000850369766 1021492893 /nfs/dbraw/zinc/49/28/93/1021492893.db2.gz LGBYUULQVOPFPI-SFTDATJTSA-N 0 3 322.452 3.945 20 10 DHCDHN CC(C)[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000850414397 1021520005 /nfs/dbraw/zinc/52/00/05/1021520005.db2.gz ZRGLPYRRBZRZHR-ZWKOTPCHSA-N 0 3 319.832 3.893 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850481312 1021556484 /nfs/dbraw/zinc/55/64/84/1021556484.db2.gz JGBHHLWVVSAFFT-BZPMIXESSA-N 0 3 306.425 3.542 20 10 DHCDHN Cc1ccncc1CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850508187 1021566389 /nfs/dbraw/zinc/56/63/89/1021566389.db2.gz SBNQVNWHAYERDE-DOMZBBRYSA-N 0 3 300.377 3.615 20 10 DHCDHN COC[C@H](N[C@@H](C)c1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850513330 1021570178 /nfs/dbraw/zinc/57/01/78/1021570178.db2.gz GEQXYJOUBDLPDS-KSSFIOAISA-N 0 3 315.413 3.748 20 10 DHCDHN C[C@H](NCc1cccc(OC2CC2)c1F)c1ccccc1O ZINC000850521031 1021574809 /nfs/dbraw/zinc/57/48/09/1021574809.db2.gz MTODXQAIPPSRLA-LBPRGKRZSA-N 0 3 301.361 3.923 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1[O-] ZINC000850521031 1021574831 /nfs/dbraw/zinc/57/48/31/1021574831.db2.gz MTODXQAIPPSRLA-LBPRGKRZSA-N 0 3 301.361 3.923 20 10 DHCDHN C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(F)ccc1[O-] ZINC000850531357 1021585721 /nfs/dbraw/zinc/58/57/21/1021585721.db2.gz JIFXOBQCHOYPLB-QRTARXTBSA-N 0 3 315.388 3.755 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000850537870 1021593570 /nfs/dbraw/zinc/59/35/70/1021593570.db2.gz ASYDIFTXLGSBTN-DZGCQCFKSA-N 0 3 306.425 3.589 20 10 DHCDHN C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000850572642 1021614579 /nfs/dbraw/zinc/61/45/79/1021614579.db2.gz FRPVBZMXMMJNBL-CYBMUJFWSA-N 0 3 305.418 3.555 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850584844 1021624451 /nfs/dbraw/zinc/62/44/51/1021624451.db2.gz UAAPSJMPHXLLPQ-RZQQEMMASA-N 0 3 312.457 3.915 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccccc1[O-] ZINC000154821265 1021656708 /nfs/dbraw/zinc/65/67/08/1021656708.db2.gz UKVXKGRSDOKNIC-HKUYNNGSSA-N 0 3 312.457 3.606 20 10 DHCDHN CCC[N@H+](Cc1cnc2ccccc2n1)Cc1ccccc1[O-] ZINC000851793077 1022002147 /nfs/dbraw/zinc/00/21/47/1022002147.db2.gz WCLWFSBOQWANAL-UHFFFAOYSA-N 0 3 307.397 3.748 20 10 DHCDHN CCC[N@@H+](Cc1cnc2ccccc2n1)Cc1ccccc1[O-] ZINC000851793077 1022002165 /nfs/dbraw/zinc/00/21/65/1022002165.db2.gz WCLWFSBOQWANAL-UHFFFAOYSA-N 0 3 307.397 3.748 20 10 DHCDHN C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000183556728 1022190251 /nfs/dbraw/zinc/19/02/51/1022190251.db2.gz VNHAMSFLYVFHOV-BLLLJJGKSA-N 0 3 313.422 3.991 20 10 DHCDHN COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183632990 1022217956 /nfs/dbraw/zinc/21/79/56/1022217956.db2.gz VEEMCNKRFAMQFF-GJZGRUSLSA-N 0 3 315.413 3.767 20 10 DHCDHN C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000756448174 1022383299 /nfs/dbraw/zinc/38/32/99/1022383299.db2.gz ADFLSEKJJKPCRB-ZIAGYGMSSA-N 0 3 308.441 3.692 20 10 DHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000854225285 1022433291 /nfs/dbraw/zinc/43/32/91/1022433291.db2.gz BRBMAVUBYNPBNI-UHNFBRDESA-N 0 3 312.388 3.939 20 10 DHCDHN CC[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1[O-] ZINC000185213410 1022469224 /nfs/dbraw/zinc/46/92/24/1022469224.db2.gz KQRVUJCGQOMRNZ-HNNXBMFYSA-N 0 3 307.340 3.790 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1[O-] ZINC000272842033 1022516368 /nfs/dbraw/zinc/51/63/68/1022516368.db2.gz JVEKPVSEPHHLOL-FUHIMQAGSA-N 0 3 324.468 3.953 20 10 DHCDHN C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185834853 1022527875 /nfs/dbraw/zinc/52/78/75/1022527875.db2.gz NNIZGKJCDQRVSZ-FHSNZYRGSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1cc([O-])c(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1Br ZINC001237678308 1022533326 /nfs/dbraw/zinc/53/33/26/1022533326.db2.gz XXXWNIPHGOISAH-VXGBXAGGSA-N 0 3 310.235 3.695 20 10 DHCDHN CCOc1ccc(O)c(CN2CCC(C(F)(F)F)CC2)c1 ZINC000179965176 1022600720 /nfs/dbraw/zinc/60/07/20/1022600720.db2.gz ROOBRLIUIREUQT-UHFFFAOYSA-N 0 3 303.324 3.565 20 10 DHCDHN CN(CCOC(C)(C)C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000767771992 1022806268 /nfs/dbraw/zinc/80/62/68/1022806268.db2.gz MZFAXEWMRZXIIB-UHFFFAOYSA-N 0 3 309.450 3.642 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+](CCO)C1CCCC1 ZINC000768137311 1022903600 /nfs/dbraw/zinc/90/36/00/1022903600.db2.gz JKGLDLYIHJDFFP-UHFFFAOYSA-N 0 3 311.425 3.796 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+](CCO)C1CCCC1 ZINC000768137311 1022903609 /nfs/dbraw/zinc/90/36/09/1022903609.db2.gz JKGLDLYIHJDFFP-UHFFFAOYSA-N 0 3 311.425 3.796 20 10 DHCDHN CCOc1ccc(O)c(CN2CCc3sccc3[C@H]2C)c1 ZINC000768206733 1022915325 /nfs/dbraw/zinc/91/53/25/1022915325.db2.gz DPUOONFPNRKCMG-GFCCVEGCSA-N 0 3 303.427 3.972 20 10 DHCDHN CCC[N@H+](Cc1cncc(OCC)c1)Cc1ccccc1[O-] ZINC000857014636 1022920835 /nfs/dbraw/zinc/92/08/35/1022920835.db2.gz OUCUVJATROXFDY-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN CCC[N@@H+](Cc1cncc(OCC)c1)Cc1ccccc1[O-] ZINC000857014636 1022920839 /nfs/dbraw/zinc/92/08/39/1022920839.db2.gz OUCUVJATROXFDY-UHFFFAOYSA-N 0 3 300.402 3.598 20 10 DHCDHN CCOc1cccc(CN2CCc3sccc3[C@@H]2C)c1O ZINC000768211028 1022925125 /nfs/dbraw/zinc/92/51/25/1022925125.db2.gz WTMUYIABGUQVEH-LBPRGKRZSA-N 0 3 303.427 3.972 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000768320413 1022945291 /nfs/dbraw/zinc/94/52/91/1022945291.db2.gz UNFZHXKXPXIGNG-KRWDZBQOSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000768320413 1022945302 /nfs/dbraw/zinc/94/53/02/1022945302.db2.gz UNFZHXKXPXIGNG-KRWDZBQOSA-N 0 3 311.425 3.998 20 10 DHCDHN COc1cccc(CN(Cc2ccccc2F)C(C)C)c1O ZINC000768334229 1022947505 /nfs/dbraw/zinc/94/75/05/1022947505.db2.gz NXWMOERDXAXHHJ-UHFFFAOYSA-N 0 3 303.377 3.951 20 10 DHCDHN CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295999106 1023001140 /nfs/dbraw/zinc/00/11/40/1023001140.db2.gz ODMZARVBORXSDX-SJKOYZFVSA-N 0 3 310.397 3.689 20 10 DHCDHN CC(C)CCOC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768903046 1023051979 /nfs/dbraw/zinc/05/19/79/1023051979.db2.gz JTUWOSZCHMGLQN-UHFFFAOYSA-N 0 3 322.468 3.919 20 10 DHCDHN CCOc1ccc(O)c(CN(Cc2ccccn2)C(C)C)c1 ZINC000768925375 1023057986 /nfs/dbraw/zinc/05/79/86/1023057986.db2.gz HJIQMARLLITAET-UHFFFAOYSA-N 0 3 300.402 3.597 20 10 DHCDHN CN(C)c1ccc(CNCc2cnc(-c3ccco3)s2)cc1 ZINC000192983886 1023071871 /nfs/dbraw/zinc/07/18/71/1023071871.db2.gz YBLHMHBYSOCHRO-UHFFFAOYSA-N 0 3 313.426 3.759 20 10 DHCDHN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759835372 1023096337 /nfs/dbraw/zinc/09/63/37/1023096337.db2.gz CVHIBWFSZZJCTL-HOTGVXAUSA-N 0 3 311.425 3.964 20 10 DHCDHN COc1ccccc1[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769319693 1023121104 /nfs/dbraw/zinc/12/11/04/1023121104.db2.gz WZCAVIYXAQBULU-MRXNPFEDSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769319693 1023121111 /nfs/dbraw/zinc/12/11/11/1023121111.db2.gz WZCAVIYXAQBULU-MRXNPFEDSA-N 0 3 313.397 3.747 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC000769381033 1023136323 /nfs/dbraw/zinc/13/63/23/1023136323.db2.gz ZWAUJFYMQXUDAQ-AWEZNQCLSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC000769381033 1023136328 /nfs/dbraw/zinc/13/63/28/1023136328.db2.gz ZWAUJFYMQXUDAQ-AWEZNQCLSA-N 0 3 315.388 3.920 20 10 DHCDHN CCOc1cccc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)c1[O-] ZINC000769428449 1023146352 /nfs/dbraw/zinc/14/63/52/1023146352.db2.gz RTVUPEKSVJVEJN-GOSISDBHSA-N 0 3 311.425 3.780 20 10 DHCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c1[O-] ZINC000769428449 1023146354 /nfs/dbraw/zinc/14/63/54/1023146354.db2.gz RTVUPEKSVJVEJN-GOSISDBHSA-N 0 3 311.425 3.780 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c([O-])c1 ZINC000769425402 1023147492 /nfs/dbraw/zinc/14/74/92/1023147492.db2.gz HFWBDUXNRIGWRX-GOSISDBHSA-N 0 3 312.413 3.831 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c([O-])c1 ZINC000769425402 1023147497 /nfs/dbraw/zinc/14/74/97/1023147497.db2.gz HFWBDUXNRIGWRX-GOSISDBHSA-N 0 3 312.413 3.831 20 10 DHCDHN CCN(CC)c1ccc(CN2CCC(CC)(CO)CC2)cc1F ZINC000769468677 1023161101 /nfs/dbraw/zinc/16/11/01/1023161101.db2.gz MJTYZPULZKPTKP-UHFFFAOYSA-N 0 3 322.468 3.656 20 10 DHCDHN COc1ccc(C[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC000770511036 1023316268 /nfs/dbraw/zinc/31/62/68/1023316268.db2.gz WBAXNYAFLRAFNU-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC000770511036 1023316276 /nfs/dbraw/zinc/31/62/76/1023316276.db2.gz WBAXNYAFLRAFNU-QGZVFWFLSA-N 0 3 311.425 3.856 20 10 DHCDHN C[C@@H]1CCCN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000662793955 1023568237 /nfs/dbraw/zinc/56/82/37/1023568237.db2.gz LBDUDAZWWGHXNY-OAHLLOKOSA-N 0 3 320.436 3.876 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc(F)ccc1[O-] ZINC000756779546 1023795799 /nfs/dbraw/zinc/79/57/99/1023795799.db2.gz SDHBDIPYYXJXDY-VFGSGVCASA-N 0 3 313.463 3.562 20 10 DHCDHN CCOC1CC(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000788982308 1023958942 /nfs/dbraw/zinc/95/89/42/1023958942.db2.gz XDOLOAXLQFBIGF-CLTVBZQCSA-N 0 3 307.409 3.874 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c([O-])c1 ZINC000876885198 1033176687 /nfs/dbraw/zinc/17/66/87/1033176687.db2.gz MWLUEKURQMRPCT-INIZCTEOSA-N 0 3 316.470 3.689 20 10 DHCDHN Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876894830 1033179529 /nfs/dbraw/zinc/17/95/29/1033179529.db2.gz XQBAPAVTZBQEGJ-UHFFFAOYSA-N 0 3 309.413 3.539 20 10 DHCDHN CN(Cc1cc(Br)cs1)Cc1ccccc1O ZINC000116879162 1033190453 /nfs/dbraw/zinc/19/04/53/1033190453.db2.gz SXWRCJJKEJKXGC-UHFFFAOYSA-N 0 3 312.232 3.848 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCc3c2cnn3C)cc1 ZINC000268844110 1024177396 /nfs/dbraw/zinc/17/73/96/1024177396.db2.gz VAAMNXXJLAZMBW-RDTXWAMCSA-N 0 3 312.461 3.604 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)CC2 ZINC000883388072 1024422495 /nfs/dbraw/zinc/42/24/95/1024422495.db2.gz LRJRXAUCWFUSHE-MSOLQXFVSA-N 0 3 319.408 3.607 20 10 DHCDHN CC(C)CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCC1 ZINC000317427847 1024540403 /nfs/dbraw/zinc/54/04/03/1024540403.db2.gz RLEJXQZICGHSJV-UHFFFAOYSA-N 0 3 305.418 3.912 20 10 DHCDHN CC(C)CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCC1 ZINC000317427847 1024540412 /nfs/dbraw/zinc/54/04/12/1024540412.db2.gz RLEJXQZICGHSJV-UHFFFAOYSA-N 0 3 305.418 3.912 20 10 DHCDHN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000271599144 1024547702 /nfs/dbraw/zinc/54/77/02/1024547702.db2.gz ZKZBJDZLZCVTCV-CJNGLKHVSA-N 0 3 315.465 3.796 20 10 DHCDHN CCCN(Cc1ccc(C(=O)OC)s1)Cc1ccccc1O ZINC000163378310 1024799823 /nfs/dbraw/zinc/79/98/23/1024799823.db2.gz CNDJBDLHYJVSQC-UHFFFAOYSA-N 0 3 319.426 3.653 20 10 DHCDHN CCC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1[O-] ZINC000163378310 1024799837 /nfs/dbraw/zinc/79/98/37/1024799837.db2.gz CNDJBDLHYJVSQC-UHFFFAOYSA-N 0 3 319.426 3.653 20 10 DHCDHN CCC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1[O-] ZINC000163378310 1024799851 /nfs/dbraw/zinc/79/98/51/1024799851.db2.gz CNDJBDLHYJVSQC-UHFFFAOYSA-N 0 3 319.426 3.653 20 10 DHCDHN CCC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000793235305 1024952858 /nfs/dbraw/zinc/95/28/58/1024952858.db2.gz FVQFFAJGCPMNFE-AEFFLSMTSA-N 0 3 303.377 3.523 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cc(C)c3ncccc3c2)c([O-])c1 ZINC000793388068 1025029360 /nfs/dbraw/zinc/02/93/60/1025029360.db2.gz KIWAYFRSGOXVES-UHFFFAOYSA-N 0 3 308.381 3.547 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000793389415 1025031733 /nfs/dbraw/zinc/03/17/33/1025031733.db2.gz YAQZLYJZDVCGLT-UHFFFAOYSA-N 0 3 312.196 3.997 20 10 DHCDHN CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccccc1[O-] ZINC000121086805 1025072093 /nfs/dbraw/zinc/07/20/93/1025072093.db2.gz IKRXRQBVDSLZST-SFHVURJKSA-N 0 3 315.413 3.658 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000279609480 1025094649 /nfs/dbraw/zinc/09/46/49/1025094649.db2.gz XFCPLPZUPKYPBW-NVXWUHKLSA-N 0 3 323.795 3.959 20 10 DHCDHN CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(C)cc1[O-] ZINC000793573370 1025126932 /nfs/dbraw/zinc/12/69/32/1025126932.db2.gz QDESTUCDAQSFJO-KRWDZBQOSA-N 0 3 309.413 3.860 20 10 DHCDHN CCOc1ccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c([O-])c1 ZINC000886344370 1025596835 /nfs/dbraw/zinc/59/68/35/1025596835.db2.gz CURMZZSGGPXJCC-GOSISDBHSA-N 0 3 319.445 3.620 20 10 DHCDHN CCn1cc(C[N@H+](C)Cc2ccccc2[O-])c(-c2ccccc2)n1 ZINC000893962098 1025616042 /nfs/dbraw/zinc/61/60/42/1025616042.db2.gz KZTXGJOZEHVBDW-UHFFFAOYSA-N 0 3 321.424 3.908 20 10 DHCDHN CCn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2ccccc2)n1 ZINC000893962098 1025616051 /nfs/dbraw/zinc/61/60/51/1025616051.db2.gz KZTXGJOZEHVBDW-UHFFFAOYSA-N 0 3 321.424 3.908 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1c([O-])cccc1F ZINC000886528505 1025681913 /nfs/dbraw/zinc/68/19/13/1025681913.db2.gz NGAVZHVZKKZJFI-GFCCVEGCSA-N 0 3 320.383 3.583 20 10 DHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2nc(Cl)ccc21 ZINC000806142108 1025800321 /nfs/dbraw/zinc/80/03/21/1025800321.db2.gz YNZMPGGTHSXJMC-INIZCTEOSA-N 0 3 315.848 3.887 20 10 DHCDHN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841746735 1026045105 /nfs/dbraw/zinc/04/51/05/1026045105.db2.gz KVVOXAJWGNSYNB-LBPRGKRZSA-N 0 3 308.853 3.713 20 10 DHCDHN CCOc1ccc(O)c(CNC(C)(C)c2ccccc2OC)c1 ZINC000237032796 1026141165 /nfs/dbraw/zinc/14/11/65/1026141165.db2.gz ANLYOPGDQHOHKC-UHFFFAOYSA-N 0 3 315.413 3.824 20 10 DHCDHN CN(C)c1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000289958032 1026251909 /nfs/dbraw/zinc/25/19/09/1026251909.db2.gz WOKNZJVPSFCEBI-QGZVFWFLSA-N 0 3 318.486 3.664 20 10 DHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1[O-] ZINC000808680573 1026348202 /nfs/dbraw/zinc/34/82/02/1026348202.db2.gz MNTHXQLKKLXSFP-LLVKDONJSA-N 0 3 323.795 3.836 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000808674164 1026352891 /nfs/dbraw/zinc/35/28/91/1026352891.db2.gz OCBGGEGGHJCLQH-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1[O-] ZINC000808715634 1026363666 /nfs/dbraw/zinc/36/36/66/1026363666.db2.gz WSCQGVMUQIIVAQ-PEYYIBSZSA-N 0 3 309.837 3.962 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000808697197 1026373074 /nfs/dbraw/zinc/37/30/74/1026373074.db2.gz YWCCDVVSNKMISI-SCLBCKFNSA-N 0 3 319.832 3.912 20 10 DHCDHN CN1CCCc2cc(CNCc3nccc4ccccc43)ccc21 ZINC000894208727 1026402343 /nfs/dbraw/zinc/40/23/43/1026402343.db2.gz KRFRNHVBQQCFBK-UHFFFAOYSA-N 0 3 317.436 3.907 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(C)cc1[O-] ZINC000280014714 1026569801 /nfs/dbraw/zinc/56/98/01/1026569801.db2.gz GXKMJDOEPJKKPK-SFHVURJKSA-N 0 3 322.412 3.522 20 10 DHCDHN CC[C@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000280038364 1026576373 /nfs/dbraw/zinc/57/63/73/1026576373.db2.gz IQQSMYFCYYHPHX-PXAZEXFGSA-N 0 3 302.418 3.977 20 10 DHCDHN C[NH+](C)CCN(Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000809728382 1026594854 /nfs/dbraw/zinc/59/48/54/1026594854.db2.gz VIHHKKBPYBMOCI-UHFFFAOYSA-N 0 3 318.848 3.609 20 10 DHCDHN CCC[N@H+](CCc1ccccn1)Cc1ccc(OCC)cc1[O-] ZINC000809734925 1026597734 /nfs/dbraw/zinc/59/77/34/1026597734.db2.gz SOEZUMMPISQUGK-UHFFFAOYSA-N 0 3 314.429 3.641 20 10 DHCDHN CCC[N@@H+](CCc1ccccn1)Cc1ccc(OCC)cc1[O-] ZINC000809734925 1026597738 /nfs/dbraw/zinc/59/77/38/1026597738.db2.gz SOEZUMMPISQUGK-UHFFFAOYSA-N 0 3 314.429 3.641 20 10 DHCDHN CC[C@H](CSC)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809766977 1026605065 /nfs/dbraw/zinc/60/50/65/1026605065.db2.gz CTFBHLKHHQHSHH-GFCCVEGCSA-N 0 3 303.855 3.628 20 10 DHCDHN CC[C@H](CSC)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809766977 1026605069 /nfs/dbraw/zinc/60/50/69/1026605069.db2.gz CTFBHLKHHQHSHH-GFCCVEGCSA-N 0 3 303.855 3.628 20 10 DHCDHN CN(C)c1ccc(CN2CCC(c3cccnc3)CC2)cc1F ZINC000809737351 1026609401 /nfs/dbraw/zinc/60/94/01/1026609401.db2.gz GMVOWUKMTSXYKL-UHFFFAOYSA-N 0 3 313.420 3.666 20 10 DHCDHN CCOc1ccc(C[N@H+](C)[C@H](CC)c2ccncc2)c([O-])c1 ZINC000809765538 1026620799 /nfs/dbraw/zinc/62/07/99/1026620799.db2.gz NZXNUEHUZIASQG-QGZVFWFLSA-N 0 3 300.402 3.769 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)[C@H](CC)c2ccncc2)c([O-])c1 ZINC000809765538 1026620804 /nfs/dbraw/zinc/62/08/04/1026620804.db2.gz NZXNUEHUZIASQG-QGZVFWFLSA-N 0 3 300.402 3.769 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000280302091 1026632364 /nfs/dbraw/zinc/63/23/64/1026632364.db2.gz ZYSKRRFFSZYABX-FUHWJXTLSA-N 0 3 303.377 3.614 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000810178989 1026699909 /nfs/dbraw/zinc/69/99/09/1026699909.db2.gz CDDMPBGFYUUTCV-OAHLLOKOSA-N 0 3 324.424 3.760 20 10 DHCDHN CC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])OC ZINC000810260188 1026720477 /nfs/dbraw/zinc/72/04/77/1026720477.db2.gz GTMIVRBOSVLAMS-ZYHUDNBSSA-N 0 3 316.239 3.539 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811510808 1027026149 /nfs/dbraw/zinc/02/61/49/1027026149.db2.gz PICRGUAYWKSYMD-ZBFHGGJFSA-N 0 3 309.837 3.743 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811510806 1027026821 /nfs/dbraw/zinc/02/68/21/1027026821.db2.gz PICRGUAYWKSYMD-GOEBONIOSA-N 0 3 309.837 3.743 20 10 DHCDHN Cc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811510807 1027027556 /nfs/dbraw/zinc/02/75/56/1027027556.db2.gz PICRGUAYWKSYMD-HOCLYGCPSA-N 0 3 309.837 3.743 20 10 DHCDHN C[C@@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000931554141 1027168814 /nfs/dbraw/zinc/16/88/14/1027168814.db2.gz LVEIJDHLYBQQKQ-JTNHKYCSSA-N 0 3 303.324 3.543 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1[O-] ZINC001170671649 1027209313 /nfs/dbraw/zinc/20/93/13/1027209313.db2.gz DZLSCWOLLSZNLY-FZMZJTMJSA-N 0 3 303.352 3.879 20 10 DHCDHN C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1[O-] ZINC000157625499 1027331303 /nfs/dbraw/zinc/33/13/03/1027331303.db2.gz GIURBACPBZEOMH-BXWFABGCSA-N 0 3 310.441 3.563 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000364621023 1027855441 /nfs/dbraw/zinc/85/54/41/1027855441.db2.gz GIDXNIKYJMJJQV-MAUKXSAKSA-N 0 3 301.386 3.818 20 10 DHCDHN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779021349 1027868058 /nfs/dbraw/zinc/86/80/58/1027868058.db2.gz CRANSFKYVNRRKF-WDEREUQCSA-N 0 3 316.239 3.539 20 10 DHCDHN CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779021347 1027869814 /nfs/dbraw/zinc/86/98/14/1027869814.db2.gz CRANSFKYVNRRKF-QWRGUYRKSA-N 0 3 316.239 3.539 20 10 DHCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])OC)c1 ZINC000527924845 1027954959 /nfs/dbraw/zinc/95/49/59/1027954959.db2.gz ICZGROMNSGZSPP-KPZWWZAWSA-N 0 3 319.376 3.578 20 10 DHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)c1[O-] ZINC000779038072 1027993730 /nfs/dbraw/zinc/99/37/30/1027993730.db2.gz INAIJICAYDKPGI-NXEZZACHSA-N 0 3 324.222 3.598 20 10 DHCDHN CC(C)[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000814630837 1028131581 /nfs/dbraw/zinc/13/15/81/1028131581.db2.gz ZESAXOBYEOKLPF-JXFKEZNVSA-N 0 3 313.441 3.972 20 10 DHCDHN CC(C)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000814630837 1028131587 /nfs/dbraw/zinc/13/15/87/1028131587.db2.gz ZESAXOBYEOKLPF-JXFKEZNVSA-N 0 3 313.441 3.972 20 10 DHCDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)cc1 ZINC000780793968 1028183628 /nfs/dbraw/zinc/18/36/28/1028183628.db2.gz ZWXZOGOGVQBXGR-TZMCWYRMSA-N 0 3 300.368 3.915 20 10 DHCDHN Cc1ccc([C@H](C)NC2(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000779081619 1028192446 /nfs/dbraw/zinc/19/24/46/1028192446.db2.gz BNGQQFDQJSRNCZ-AWEZNQCLSA-N 0 3 310.397 3.523 20 10 DHCDHN CO[C@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000779087102 1028222183 /nfs/dbraw/zinc/22/21/83/1028222183.db2.gz LYAVPIRBPVKTMD-MRXNPFEDSA-N 0 3 309.768 3.662 20 10 DHCDHN Cc1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815118970 1028365725 /nfs/dbraw/zinc/36/57/25/1028365725.db2.gz NWROIWXOJDAMLI-RTBURBONSA-N 0 3 314.473 3.595 20 10 DHCDHN CCN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000815119414 1028367671 /nfs/dbraw/zinc/36/76/71/1028367671.db2.gz WYGAYCAXEHEWLK-RBUKOAKNSA-N 0 3 314.473 3.676 20 10 DHCDHN C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccccc1[O-] ZINC000188625453 1028522583 /nfs/dbraw/zinc/52/25/83/1028522583.db2.gz PMBUIUIYTYTHAQ-SLEUVZQESA-N 0 3 317.351 3.526 20 10 DHCDHN COC[C@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815566381 1028547081 /nfs/dbraw/zinc/54/70/81/1028547081.db2.gz RPXPWDSQUGKGJC-VQIMIIECSA-N 0 3 313.441 3.938 20 10 DHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000815577950 1028552205 /nfs/dbraw/zinc/55/22/05/1028552205.db2.gz DKLQDMNSBAYXFQ-SFHVURJKSA-N 0 3 311.425 3.571 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000370222937 1028577333 /nfs/dbraw/zinc/57/73/33/1028577333.db2.gz PDZQPBNGVHFXLG-SJLPKXTDSA-N 0 3 303.446 3.982 20 10 DHCDHN CCc1noc(C)c1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815641138 1028589701 /nfs/dbraw/zinc/58/97/01/1028589701.db2.gz QOAWFPGVHHYHIP-YMTOWFKASA-N 0 3 304.365 3.728 20 10 DHCDHN CCc1noc(C)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815641138 1028589710 /nfs/dbraw/zinc/58/97/10/1028589710.db2.gz QOAWFPGVHHYHIP-YMTOWFKASA-N 0 3 304.365 3.728 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648075 1028593230 /nfs/dbraw/zinc/59/32/30/1028593230.db2.gz DCEHXJZEGNQZCS-NVXWUHKLSA-N 0 3 305.462 3.848 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000779188670 1028666977 /nfs/dbraw/zinc/66/69/77/1028666977.db2.gz WQYBXFAFCINOMA-MRXNPFEDSA-N 0 3 309.837 3.745 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000779188670 1028666990 /nfs/dbraw/zinc/66/69/90/1028666990.db2.gz WQYBXFAFCINOMA-MRXNPFEDSA-N 0 3 309.837 3.745 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267304 1028835286 /nfs/dbraw/zinc/83/52/86/1028835286.db2.gz KCQPKNYSONRRNZ-IBGZPJMESA-N 0 3 324.424 3.860 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267304 1028835309 /nfs/dbraw/zinc/83/53/09/1028835309.db2.gz KCQPKNYSONRRNZ-IBGZPJMESA-N 0 3 324.424 3.860 20 10 DHCDHN C[C@@H](CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCCC1 ZINC000816568129 1028948052 /nfs/dbraw/zinc/94/80/52/1028948052.db2.gz XJXHCQDPJXTESK-LBPRGKRZSA-N 0 3 314.832 3.539 20 10 DHCDHN CC(C)[C@H]1N(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000816624717 1028953899 /nfs/dbraw/zinc/95/38/99/1028953899.db2.gz FLVUOPLHJXCWGB-GOSISDBHSA-N 0 3 320.452 3.529 20 10 DHCDHN CC[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccccc1[O-] ZINC000155247751 1029209459 /nfs/dbraw/zinc/20/94/59/1029209459.db2.gz CMQVRHRSOMHHCM-IEBWSBKVSA-N 0 3 312.457 3.606 20 10 DHCDHN CC[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccccc1[O-] ZINC000155247456 1029210102 /nfs/dbraw/zinc/21/01/02/1029210102.db2.gz CMQVRHRSOMHHCM-HKUYNNGSSA-N 0 3 312.457 3.606 20 10 DHCDHN CCCNCC[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817963925 1029300778 /nfs/dbraw/zinc/30/07/78/1029300778.db2.gz YLUMCELBKBNGHA-GFCCVEGCSA-N 0 3 305.249 3.739 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969270 1029306555 /nfs/dbraw/zinc/30/65/55/1029306555.db2.gz AREHRDQWZUGILQ-BIGNPOOSSA-N 0 3 317.260 3.738 20 10 DHCDHN C[C@H]([NH2+]C[C@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966227 1029306813 /nfs/dbraw/zinc/30/68/13/1029306813.db2.gz JGJZJNIDUNKZFU-ZUZCIYMTSA-N 0 3 317.260 3.739 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(F)ccc1[O-] ZINC000817967211 1029307413 /nfs/dbraw/zinc/30/74/13/1029307413.db2.gz FQAUKAVIWUORKA-APPDUMDISA-N 0 3 300.377 3.842 20 10 DHCDHN C[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966226 1029307834 /nfs/dbraw/zinc/30/78/34/1029307834.db2.gz JGJZJNIDUNKZFU-MEBBXXQBSA-N 0 3 317.260 3.739 20 10 DHCDHN CC[NH2+][C@H](C)CN[C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972491 1029312414 /nfs/dbraw/zinc/31/24/14/1029312414.db2.gz LZGBNDOFEOQUHY-BXKDBHETSA-N 0 3 305.249 3.738 20 10 DHCDHN CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccccc1[O-] ZINC000156176935 1029403568 /nfs/dbraw/zinc/40/35/68/1029403568.db2.gz BMHTZQFRHQYUPI-KRWDZBQOSA-N 0 3 309.413 3.632 20 10 DHCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cs1 ZINC000823387356 1030274007 /nfs/dbraw/zinc/27/40/07/1030274007.db2.gz YJGZSHMPCZVZPO-QGZVFWFLSA-N 0 3 317.454 3.943 20 10 DHCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cs1 ZINC000823387356 1030274019 /nfs/dbraw/zinc/27/40/19/1030274019.db2.gz YJGZSHMPCZVZPO-QGZVFWFLSA-N 0 3 317.454 3.943 20 10 DHCDHN CC[C@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(C)cc1[O-] ZINC000866426189 1030292058 /nfs/dbraw/zinc/29/20/58/1030292058.db2.gz UVHKBXQCAWTADB-HOCLYGCPSA-N 0 3 307.434 3.531 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000777554202 1030336774 /nfs/dbraw/zinc/33/67/74/1030336774.db2.gz VBQARVQUBLBDEA-QGZVFWFLSA-N 0 3 311.425 3.936 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000777554202 1030336788 /nfs/dbraw/zinc/33/67/88/1030336788.db2.gz VBQARVQUBLBDEA-QGZVFWFLSA-N 0 3 311.425 3.936 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291157355 1030369570 /nfs/dbraw/zinc/36/95/70/1030369570.db2.gz CACLYOMXLGRDMD-IBGZPJMESA-N 0 3 319.408 3.703 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291157355 1030369589 /nfs/dbraw/zinc/36/95/89/1030369589.db2.gz CACLYOMXLGRDMD-IBGZPJMESA-N 0 3 319.408 3.703 20 10 DHCDHN CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OCC ZINC000121148163 1030399971 /nfs/dbraw/zinc/39/99/71/1030399971.db2.gz GGWOWYYGKXPDAW-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OCC ZINC000121148163 1030399985 /nfs/dbraw/zinc/39/99/85/1030399985.db2.gz GGWOWYYGKXPDAW-UHFFFAOYSA-N 0 3 315.413 3.822 20 10 DHCDHN CC[C@H](c1ccc(C)cc1[O-])[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925755200 1030481925 /nfs/dbraw/zinc/48/19/25/1030481925.db2.gz UTRBQJZBEGONOZ-QGZVFWFLSA-N 0 3 312.413 3.629 20 10 DHCDHN CC[C@H](c1ccc(C)cc1[O-])[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925755200 1030481936 /nfs/dbraw/zinc/48/19/36/1030481936.db2.gz UTRBQJZBEGONOZ-QGZVFWFLSA-N 0 3 312.413 3.629 20 10 DHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171057125 1030569405 /nfs/dbraw/zinc/56/94/05/1030569405.db2.gz UTSXLAUCBQWLBB-OAHLLOKOSA-N 0 3 313.828 3.961 20 10 DHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171057125 1030569408 /nfs/dbraw/zinc/56/94/08/1030569408.db2.gz UTSXLAUCBQWLBB-OAHLLOKOSA-N 0 3 313.828 3.961 20 10 DHCDHN Cc1cc(O)c(CNCc2cccc(C(F)(F)F)n2)cc1C ZINC000824589875 1030590212 /nfs/dbraw/zinc/59/02/12/1030590212.db2.gz IZZWYHDJTIYITO-UHFFFAOYSA-N 0 3 310.319 3.713 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c([O-])c1 ZINC000824650984 1030600471 /nfs/dbraw/zinc/60/04/71/1030600471.db2.gz ROJFLBSYMJJJSR-CXAGYDPISA-N 0 3 313.397 3.793 20 10 DHCDHN O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC000824820858 1030647753 /nfs/dbraw/zinc/64/77/53/1030647753.db2.gz OWVWGNQPPTVXRT-OAHLLOKOSA-N 0 3 312.369 3.680 20 10 DHCDHN O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC000824820858 1030647761 /nfs/dbraw/zinc/64/77/61/1030647761.db2.gz OWVWGNQPPTVXRT-OAHLLOKOSA-N 0 3 312.369 3.680 20 10 DHCDHN Cc1ccc(O)c(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825044951 1030706473 /nfs/dbraw/zinc/70/64/73/1030706473.db2.gz AAJJPAVFNIQBKM-ZDUSSCGKSA-N 0 3 307.315 3.895 20 10 DHCDHN CO[C@H]([C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000825098383 1030711587 /nfs/dbraw/zinc/71/15/87/1030711587.db2.gz HXSSBYGRDKRXTA-VBKZILBWSA-N 0 3 311.425 3.962 20 10 DHCDHN CCc1noc(CC)c1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825365947 1030789542 /nfs/dbraw/zinc/78/95/42/1030789542.db2.gz PHYUXPXCHRZFTA-UHFFFAOYSA-N 0 3 308.809 3.757 20 10 DHCDHN CC[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1[O-] ZINC000926905896 1030980435 /nfs/dbraw/zinc/98/04/35/1030980435.db2.gz QZVFRUXXOWDAEP-WHOFXGATSA-N 0 3 317.351 3.933 20 10 DHCDHN CC[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccccc1[O-] ZINC000926932078 1031004800 /nfs/dbraw/zinc/00/48/00/1031004800.db2.gz SXGTYBJIMWKTAO-ZDUSSCGKSA-N 0 3 302.443 3.621 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000926949752 1031013438 /nfs/dbraw/zinc/01/34/38/1031013438.db2.gz NSRCGPNFKCGLEK-CKEKPRIKSA-N 0 3 303.299 3.868 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2cc(C3CC3)nn2C)cc1 ZINC000927098377 1031085722 /nfs/dbraw/zinc/08/57/22/1031085722.db2.gz HQDUZFGXPBVHNI-AWEZNQCLSA-N 0 3 312.461 3.604 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(c3ccccc3)CCCO1)CC2 ZINC000927118741 1031103940 /nfs/dbraw/zinc/10/39/40/1031103940.db2.gz HGPPFASNSKXYHO-FXAWDEMLSA-N 0 3 309.409 3.675 20 10 DHCDHN Cc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000292826115 1031198270 /nfs/dbraw/zinc/19/82/70/1031198270.db2.gz QNRMQHTXBXBNAV-UHFFFAOYSA-N 0 3 300.358 3.634 20 10 DHCDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000123991231 1031555461 /nfs/dbraw/zinc/55/54/61/1031555461.db2.gz IXIWVKMWRWYGJY-CYBMUJFWSA-N 0 3 302.393 3.790 20 10 DHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000293779547 1031619433 /nfs/dbraw/zinc/61/94/33/1031619433.db2.gz QAZCAPLFCFTFKU-PKOBYXMFSA-N 0 3 311.425 3.835 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1[O-] ZINC000293791885 1031627906 /nfs/dbraw/zinc/62/79/06/1031627906.db2.gz UJZWKVAVCFMWHW-JTQLQIEISA-N 0 3 311.303 3.984 20 10 DHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(SC)CC3)c2c1 ZINC000872625833 1031634791 /nfs/dbraw/zinc/63/47/91/1031634791.db2.gz CZOXDPWMLLSLOU-UHFFFAOYSA-N 0 3 317.454 3.881 20 10 DHCDHN CCOc1ccc(O)c(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873184197 1031744500 /nfs/dbraw/zinc/74/45/00/1031744500.db2.gz FTQJADHWPITZQJ-GFCCVEGCSA-N 0 3 316.357 3.550 20 10 DHCDHN CC[N@H+](Cc1ccc(N2CCCC2)o1)Cc1ccccc1[O-] ZINC001137069925 1031781820 /nfs/dbraw/zinc/78/18/20/1031781820.db2.gz SFWBXCADJXIUMC-UHFFFAOYSA-N 0 3 300.402 3.608 20 10 DHCDHN CC[N@@H+](Cc1ccc(N2CCCC2)o1)Cc1ccccc1[O-] ZINC001137069925 1031781823 /nfs/dbraw/zinc/78/18/23/1031781823.db2.gz SFWBXCADJXIUMC-UHFFFAOYSA-N 0 3 300.402 3.608 20 10 DHCDHN CCCCN(Cc1ccccc1O)[C@@H](C)c1snnc1C ZINC000930350966 1031789112 /nfs/dbraw/zinc/78/91/12/1031789112.db2.gz KWDIHLKHYDYDNY-ZDUSSCGKSA-N 0 3 305.447 3.915 20 10 DHCDHN CC[C@@H](NCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000845992331 1031796310 /nfs/dbraw/zinc/79/63/10/1031796310.db2.gz JBKMDLQFRNEPIS-CYBMUJFWSA-N 0 3 302.443 3.968 20 10 DHCDHN CC[C@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000897719806 1031801737 /nfs/dbraw/zinc/80/17/37/1031801737.db2.gz WCFBLBCFDZPQMT-INIZCTEOSA-N 0 3 319.445 3.756 20 10 DHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1[O-] ZINC000846054268 1031846742 /nfs/dbraw/zinc/84/67/42/1031846742.db2.gz KCHXPRPVBAABFF-UHFFFAOYSA-N 0 3 301.764 3.975 20 10 DHCDHN COc1cccc([C@@H](C)NCc2ccc(C)cc2OC)c1O ZINC000846148901 1031883901 /nfs/dbraw/zinc/88/39/01/1031883901.db2.gz IIUOOJCVABITCE-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN COc1cccc([C@H](C)N[C@@H]2COc3c2ccc(C)c3C)c1O ZINC000846150356 1031886059 /nfs/dbraw/zinc/88/60/59/1031886059.db2.gz ZMRAAGQKLMVDBK-XJKSGUPXSA-N 0 3 313.397 3.802 20 10 DHCDHN COCC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1 ZINC000846161903 1031891369 /nfs/dbraw/zinc/89/13/69/1031891369.db2.gz HEVXSSFSPXBHRY-ZFWWWQNUSA-N 0 3 319.401 3.731 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H]2CCOc3c(F)cccc32)c1O ZINC000846165890 1031894011 /nfs/dbraw/zinc/89/40/11/1031894011.db2.gz PFKJMSOBYFBRCR-IAQYHMDHSA-N 0 3 317.360 3.714 20 10 DHCDHN Cc1ccc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000846181433 1031914114 /nfs/dbraw/zinc/91/41/14/1031914114.db2.gz AXUDHRMVPDJFHY-JCGVRSQUSA-N 0 3 303.377 3.612 20 10 DHCDHN COC[C@@H](NCc1ccc(C)cc1O)c1ccc(Cl)cc1 ZINC000877484104 1033317421 /nfs/dbraw/zinc/31/74/21/1033317421.db2.gz XTFCPXXRNNEOLI-MRXNPFEDSA-N 0 3 305.805 3.831 20 10 DHCDHN COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])c(C)c1OC ZINC000877533421 1033341095 /nfs/dbraw/zinc/34/10/95/1033341095.db2.gz QBEJOBLWKUVYRN-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000877572958 1033364235 /nfs/dbraw/zinc/36/42/35/1033364235.db2.gz MDIPDHSEGNMCSE-CZUORRHYSA-N 0 3 303.427 3.772 20 10 DHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1[O-] ZINC000877755939 1033432084 /nfs/dbraw/zinc/43/20/84/1033432084.db2.gz UAPBCXOEYQIDPE-CYBMUJFWSA-N 0 3 313.397 3.888 20 10 DHCDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172951540 1033494089 /nfs/dbraw/zinc/49/40/89/1033494089.db2.gz SYRHZAQERMOIPQ-KGLIPLIRSA-N 0 3 322.449 3.688 20 10 DHCDHN CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC001173617256 1033806446 /nfs/dbraw/zinc/80/64/46/1033806446.db2.gz NYRYRVDMNOMBPV-VWHBUJHXSA-N 0 3 317.429 3.555 20 10 DHCDHN Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649059 1034070317 /nfs/dbraw/zinc/07/03/17/1034070317.db2.gz KTGGKXBQVIAUDF-CABCVRRESA-N 0 3 312.413 3.687 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1[O-] ZINC000879649628 1034070613 /nfs/dbraw/zinc/07/06/13/1034070613.db2.gz ZUANFJGSHKGELZ-QLJPJBMISA-N 0 3 309.768 3.569 20 10 DHCDHN Cc1ccc2c(C[NH2+][C@@H](C)c3ccccc3[O-])cc(=O)oc2c1C ZINC000879651515 1034073481 /nfs/dbraw/zinc/07/34/81/1034073481.db2.gz ZDDXRIFYXVXFJS-AWEZNQCLSA-N 0 3 323.392 3.966 20 10 DHCDHN Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651951 1034073792 /nfs/dbraw/zinc/07/37/92/1034073792.db2.gz QRTVMMGPJWWXRT-QWHCGFSZSA-N 0 3 316.376 3.518 20 10 DHCDHN Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1C ZINC000879651954 1034075879 /nfs/dbraw/zinc/07/58/79/1034075879.db2.gz QTXJJACFGILQQK-LSDHHAIUSA-N 0 3 312.413 3.687 20 10 DHCDHN CC(C)OCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000119484460 1034112004 /nfs/dbraw/zinc/11/20/04/1034112004.db2.gz HPXAPQIWPHAEOB-UHFFFAOYSA-N 0 3 303.402 3.803 20 10 DHCDHN CC(C)OCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000119484460 1034112009 /nfs/dbraw/zinc/11/20/09/1034112009.db2.gz HPXAPQIWPHAEOB-UHFFFAOYSA-N 0 3 303.402 3.803 20 10 DHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(F)(F)CC3)c2c1 ZINC000794687960 1034347815 /nfs/dbraw/zinc/34/78/15/1034347815.db2.gz JUFQOKJQPYZDPT-UHFFFAOYSA-N 0 3 307.340 3.785 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000183331115 1034374215 /nfs/dbraw/zinc/37/42/15/1034374215.db2.gz PXRNJFJTXHYEOH-RDJZCZTQSA-N 0 3 305.805 3.820 20 10 DHCDHN COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183534853 1034396068 /nfs/dbraw/zinc/39/60/68/1034396068.db2.gz BVEUTFKGSPPDKY-KGLIPLIRSA-N 0 3 301.386 3.519 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000183632514 1034408345 /nfs/dbraw/zinc/40/83/45/1034408345.db2.gz NZDBIKWUVQLIGW-HWPZZCPQSA-N 0 3 309.768 3.569 20 10 DHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183645282 1034408593 /nfs/dbraw/zinc/40/85/93/1034408593.db2.gz ZXMKSIFNKLWKRO-XNAIMREJSA-N 0 3 319.351 3.851 20 10 DHCDHN CC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794808388 1034497574 /nfs/dbraw/zinc/49/75/74/1034497574.db2.gz ASFLLGPCQGDFKC-ZYSHUDEJSA-N 0 3 313.441 3.906 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000184918549 1034511672 /nfs/dbraw/zinc/51/16/72/1034511672.db2.gz HYVRLZVELMXIKO-QLJPJBMISA-N 0 3 309.768 3.569 20 10 DHCDHN CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(C)cc1[O-] ZINC000794817217 1034533826 /nfs/dbraw/zinc/53/38/26/1034533826.db2.gz NWTAAQXMSIIXAQ-RDJZCZTQSA-N 0 3 305.462 3.930 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(C)cc1[O-] ZINC000794817790 1034538230 /nfs/dbraw/zinc/53/82/30/1034538230.db2.gz QVGQXJASVMBYLL-NVXWUHKLSA-N 0 3 321.367 3.753 20 10 DHCDHN C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000185312661 1034540330 /nfs/dbraw/zinc/54/03/30/1034540330.db2.gz JFFIUNDREUQBKU-SJCJKPOMSA-N 0 3 305.805 3.604 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1F ZINC000185383300 1034546859 /nfs/dbraw/zinc/54/68/59/1034546859.db2.gz XHSPIBVLHYLVJS-NSHDSACASA-N 0 3 307.340 3.920 20 10 DHCDHN C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185532983 1034556333 /nfs/dbraw/zinc/55/63/33/1034556333.db2.gz BESNNKIMONORGB-CXAGYDPISA-N 0 3 303.377 3.696 20 10 DHCDHN C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185838961 1034576905 /nfs/dbraw/zinc/57/69/05/1034576905.db2.gz HXVYSFSTMKQRHR-PZROIBLQSA-N 0 3 321.367 3.833 20 10 DHCDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185839018 1034577292 /nfs/dbraw/zinc/57/72/92/1034577292.db2.gz HXVYSFSTMKQRHR-FTLABTOESA-N 0 3 321.367 3.833 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000186196624 1034607935 /nfs/dbraw/zinc/60/79/35/1034607935.db2.gz RCSAZIDYVXNQMW-APPDUMDISA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NCc2cccnc2OCC(F)F)c1 ZINC000186199136 1034610561 /nfs/dbraw/zinc/61/05/61/1034610561.db2.gz QRESQSDNKGCHEC-LBPRGKRZSA-N 0 3 322.355 3.590 20 10 DHCDHN C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccccc1[O-] ZINC000186284804 1034616822 /nfs/dbraw/zinc/61/68/22/1034616822.db2.gz XMBZCQGGOKZXGK-UHFFFAOYSA-N 0 3 313.397 3.669 20 10 DHCDHN C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccccc1[O-] ZINC000186284804 1034616826 /nfs/dbraw/zinc/61/68/26/1034616826.db2.gz XMBZCQGGOKZXGK-UHFFFAOYSA-N 0 3 313.397 3.669 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1[O-] ZINC000187525074 1034712401 /nfs/dbraw/zinc/71/24/01/1034712401.db2.gz QUIONODBZSZJKP-UHFFFAOYSA-N 0 3 319.832 3.871 20 10 DHCDHN CCN(C)c1ccc(CN2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000773766727 1035442612 /nfs/dbraw/zinc/44/26/12/1035442612.db2.gz UXHKTCCFZNNQKD-IBGZPJMESA-N 0 3 312.461 3.522 20 10 DHCDHN COc1cc(CNCc2cc(C)ccn2)c(O)c(C(C)(C)C)c1 ZINC001179479779 1035479947 /nfs/dbraw/zinc/47/99/47/1035479947.db2.gz UTRAEDFWDKCRRR-UHFFFAOYSA-N 0 3 314.429 3.692 20 10 DHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001180077782 1035587371 /nfs/dbraw/zinc/58/73/71/1035587371.db2.gz VJAISQNBKQOBMC-KRWDZBQOSA-N 0 3 311.425 3.774 20 10 DHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001180077782 1035587384 /nfs/dbraw/zinc/58/73/84/1035587384.db2.gz VJAISQNBKQOBMC-KRWDZBQOSA-N 0 3 311.425 3.774 20 10 DHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001204276779 1035739066 /nfs/dbraw/zinc/73/90/66/1035739066.db2.gz RDCDSNPVXSXSQU-UHFFFAOYSA-N 0 3 307.393 3.658 20 10 DHCDHN C[C@@H]([NH2+]CCCN1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774110586 1036172215 /nfs/dbraw/zinc/17/22/15/1036172215.db2.gz DMQDNXIXKFSSRO-LLVKDONJSA-N 0 3 317.260 3.836 20 10 DHCDHN Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000774486028 1036356483 /nfs/dbraw/zinc/35/64/83/1036356483.db2.gz UPIGDTBFCDCQPR-MJEQTWJJSA-N 0 3 315.388 3.711 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1[O-] ZINC000775717002 1036535757 /nfs/dbraw/zinc/53/57/57/1036535757.db2.gz LBJURYQRKNPXIJ-QGZVFWFLSA-N 0 3 309.837 3.747 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1[O-] ZINC000775717002 1036535764 /nfs/dbraw/zinc/53/57/64/1036535764.db2.gz LBJURYQRKNPXIJ-QGZVFWFLSA-N 0 3 309.837 3.747 20 10 DHCDHN Cc1cc(C[NH+]2CCC3(CC3)CC2)c([O-])cc1Br ZINC001250121033 1036638883 /nfs/dbraw/zinc/63/88/83/1036638883.db2.gz ZSAZPEFVQBICHN-UHFFFAOYSA-N 0 3 310.235 3.839 20 10 DHCDHN CC[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccccc1[O-] ZINC000155755739 1036850288 /nfs/dbraw/zinc/85/02/88/1036850288.db2.gz HPQXFFQGPCHVDF-ICSRJNTNSA-N 0 3 311.425 3.657 20 10 DHCDHN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N(C)C)cc1 ZINC000776013174 1037298560 /nfs/dbraw/zinc/29/85/60/1037298560.db2.gz LAINGGNPSGNZGW-DOMZBBRYSA-N 0 3 300.368 3.915 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000776008587 1037306317 /nfs/dbraw/zinc/30/63/17/1037306317.db2.gz MUWRKORTOGCBFC-UHFFFAOYSA-N 0 3 309.837 3.747 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000776008587 1037306330 /nfs/dbraw/zinc/30/63/30/1037306330.db2.gz MUWRKORTOGCBFC-UHFFFAOYSA-N 0 3 309.837 3.747 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000776011839 1037307791 /nfs/dbraw/zinc/30/77/91/1037307791.db2.gz BQKUTLYUACEXBR-RISCZKNCSA-N 0 3 317.351 3.954 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000776011839 1037307809 /nfs/dbraw/zinc/30/78/09/1037307809.db2.gz BQKUTLYUACEXBR-RISCZKNCSA-N 0 3 317.351 3.954 20 10 DHCDHN Cc1cc(Br)cc(CN[C@@H](C)c2ccccn2)c1O ZINC000776070929 1037409377 /nfs/dbraw/zinc/40/93/77/1037409377.db2.gz STUOZGZLDFRDIA-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccccn2)c1[O-] ZINC000776070929 1037409389 /nfs/dbraw/zinc/40/93/89/1037409389.db2.gz STUOZGZLDFRDIA-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2cccnc2)c1[O-] ZINC000776173947 1037679199 /nfs/dbraw/zinc/67/91/99/1037679199.db2.gz FACHWWJHRNQHRA-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000775365801 1038279985 /nfs/dbraw/zinc/27/99/85/1038279985.db2.gz XSDVKZHKLIRAMW-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN COc1cc(Cl)cc(CNCc2c(C)cccc2F)c1O ZINC000761208269 1040605131 /nfs/dbraw/zinc/60/51/31/1040605131.db2.gz XRKAIVCWVATKLS-UHFFFAOYSA-N 0 3 309.768 3.792 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1[O-] ZINC000761216605 1040689646 /nfs/dbraw/zinc/68/96/46/1040689646.db2.gz TVWNDZXXWRKPIB-MRXNPFEDSA-N 0 3 318.804 3.690 20 10 DHCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000091891420 193123700 /nfs/dbraw/zinc/12/37/00/193123700.db2.gz UOMRTWQXMMFPHH-WBVHZDCISA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000091891420 193123701 /nfs/dbraw/zinc/12/37/01/193123701.db2.gz UOMRTWQXMMFPHH-WBVHZDCISA-N 0 3 317.454 3.850 20 10 DHCDHN COc1cccc(CN(C)[C@@H](C)c2sc(C)nc2C)c1O ZINC000093275462 193224027 /nfs/dbraw/zinc/22/40/27/193224027.db2.gz HLMUOKKSPWRYDT-NSHDSACASA-N 0 3 306.431 3.667 20 10 DHCDHN COc1ccc(OC)c(CN[C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273373657 130113040 /nfs/dbraw/zinc/11/30/40/130113040.db2.gz GRSQPGJUMMJNAA-AWEZNQCLSA-N 0 3 315.413 3.877 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c([O-])c1C ZINC000273449312 130123533 /nfs/dbraw/zinc/12/35/33/130123533.db2.gz FSTCXVMMTOIDIG-IQUTYRLHSA-N 0 3 317.404 3.921 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000273537037 130133518 /nfs/dbraw/zinc/13/35/18/130133518.db2.gz XQHRVAJHUJVBQK-HUUCEWRRSA-N 0 3 321.486 3.796 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c([O-])c1C ZINC000273558543 130136315 /nfs/dbraw/zinc/13/63/15/130136315.db2.gz HMVFTOZYMAXFMQ-PWSUYJOCSA-N 0 3 305.340 3.627 20 10 DHCDHN CCc1noc(CC)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000273562971 130136859 /nfs/dbraw/zinc/13/68/59/130136859.db2.gz IQRTYSWUSNFPOL-CYBMUJFWSA-N 0 3 302.418 3.973 20 10 DHCDHN Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273563043 130137446 /nfs/dbraw/zinc/13/74/46/130137446.db2.gz ISEUGNVRSCYXPA-SWLSCSKDSA-N 0 3 301.434 3.501 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2cn3c(cccc3C)n2)c(O)c1C ZINC000273567992 130139316 /nfs/dbraw/zinc/13/93/16/130139316.db2.gz KBGQGEGBFCIWHA-OAHLLOKOSA-N 0 3 309.413 3.816 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccccc1[O-] ZINC000274874672 130268717 /nfs/dbraw/zinc/26/87/17/130268717.db2.gz GJDORPNELJBBIJ-CVEARBPZSA-N 0 3 304.459 3.797 20 10 DHCDHN COc1cccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000280708122 130814324 /nfs/dbraw/zinc/81/43/24/130814324.db2.gz TWAKEHJIRWPIFL-KOMQPUFPSA-N 0 3 301.361 3.576 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccccc1[O-] ZINC000284327073 131070682 /nfs/dbraw/zinc/07/06/82/131070682.db2.gz KLCPNUFYTDOOPP-CYBMUJFWSA-N 0 3 308.328 3.630 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c([O-])c1 ZINC000285407184 131165836 /nfs/dbraw/zinc/16/58/36/131165836.db2.gz XMNIHOPMZZZXGR-NSHDSACASA-N 0 3 323.330 3.577 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)CC2 ZINC000297355694 132012140 /nfs/dbraw/zinc/01/21/40/132012140.db2.gz PLCMAONXKCOBKB-CYBMUJFWSA-N 0 3 322.330 3.626 20 10 DHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)c2ccccn2)c1[O-] ZINC000294887957 335128556 /nfs/dbraw/zinc/12/85/56/335128556.db2.gz WGQUGQDZJHPFAH-UHFFFAOYSA-N 0 3 320.820 3.517 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000119701213 333256898 /nfs/dbraw/zinc/25/68/98/333256898.db2.gz DNHRTZVSIAWRCI-NWDGAFQWSA-N 0 3 316.357 3.721 20 10 DHCDHN C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297129017 335149334 /nfs/dbraw/zinc/14/93/34/335149334.db2.gz YVOIFTFPXHYNKB-ZLDLUXBVSA-N 0 3 303.427 3.543 20 10 DHCDHN CCN(C)c1ccc([C@@H](C)NCc2cnc3n2CCCC3)cc1 ZINC000367437862 336822701 /nfs/dbraw/zinc/82/27/01/336822701.db2.gz KAQMHFHTCIJZLX-OAHLLOKOSA-N 0 3 312.461 3.526 20 10 DHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000367608595 336826576 /nfs/dbraw/zinc/82/65/76/336826576.db2.gz SAIVAKULKYKDEX-CQSZACIVSA-N 0 3 312.413 3.568 20 10 DHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc3c(c2)CCN3C)s1 ZINC000368740873 336851518 /nfs/dbraw/zinc/85/15/18/336851518.db2.gz PTSVMCYPTNLOIL-GFCCVEGCSA-N 0 3 315.486 3.857 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000369652110 336869118 /nfs/dbraw/zinc/86/91/18/336869118.db2.gz BZGNXBDQBZSKCZ-DLBZAZTESA-N 0 3 310.441 3.959 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](CO)c3ccccc32)c1[O-] ZINC000370020187 336876070 /nfs/dbraw/zinc/87/60/70/336876070.db2.gz MVOUMFZHMZLIHN-CXAGYDPISA-N 0 3 317.816 3.665 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000370222938 336880049 /nfs/dbraw/zinc/88/00/49/336880049.db2.gz PDZQPBNGVHFXLG-WMZOPIPTSA-N 0 3 303.446 3.982 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000371337146 336901023 /nfs/dbraw/zinc/90/10/23/336901023.db2.gz SNNVWYWQAWCVEG-UHFFFAOYSA-N 0 3 307.397 3.648 20 10 DHCDHN COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000371869301 336915216 /nfs/dbraw/zinc/91/52/16/336915216.db2.gz GCHYDGJDBBQCNR-ZBEGNZNMSA-N 0 3 317.360 3.714 20 10 DHCDHN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406253 337072004 /nfs/dbraw/zinc/07/20/04/337072004.db2.gz UPSCRCBYJBDWNV-YWZLYKJASA-N 0 3 309.457 3.590 20 10 DHCDHN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000378406247 337072026 /nfs/dbraw/zinc/07/20/26/337072026.db2.gz UPSCRCBYJBDWNV-FOIQADDNSA-N 0 3 309.457 3.590 20 10 DHCDHN COc1cccc(CN2CCS[C@@H](c3ccccc3)C2)c1O ZINC000360078042 337085160 /nfs/dbraw/zinc/08/51/60/337085160.db2.gz FVFAENXZIHATOS-QGZVFWFLSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1[O-] ZINC000360078042 337085161 /nfs/dbraw/zinc/08/51/61/337085161.db2.gz FVFAENXZIHATOS-QGZVFWFLSA-N 0 3 315.438 3.691 20 10 DHCDHN COc1cccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1[O-] ZINC000360078042 337085162 /nfs/dbraw/zinc/08/51/62/337085162.db2.gz FVFAENXZIHATOS-QGZVFWFLSA-N 0 3 315.438 3.691 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c([O-])c1 ZINC000185125491 337203203 /nfs/dbraw/zinc/20/32/03/337203203.db2.gz OQYLZTLGOVYCAS-HNNXBMFYSA-N 0 3 307.397 3.737 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527772445 337762683 /nfs/dbraw/zinc/76/26/83/337762683.db2.gz MQPWSGQFXMFSKA-LJQANCHMSA-N 0 3 312.413 3.817 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1[C@@H]3Cc4cc(Cl)ccc4[C@@H]31)CC2 ZINC000527943285 337773592 /nfs/dbraw/zinc/77/35/92/337773592.db2.gz NRKVVBYHUVRJEC-VVWQDTPRSA-N 0 3 311.812 3.961 20 10 DHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc2c(c1)OCCO2 ZINC000296048602 341715834 /nfs/dbraw/zinc/71/58/34/341715834.db2.gz RATVLKSJZNIMBU-DOMZBBRYSA-N 0 3 311.381 3.502 20 10 DHCDHN CCO[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000193436527 520522048 /nfs/dbraw/zinc/52/20/48/520522048.db2.gz XLTZVZIHOQXLGC-AUUYWEPGSA-N 0 3 315.413 3.829 20 10 DHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185009867 521007115 /nfs/dbraw/zinc/00/71/15/521007115.db2.gz LVHQQPCSFBGDRA-AWEZNQCLSA-N 0 3 315.413 3.959 20 10 DHCDHN CCOc1cccc(CNCc2cccc(CSC)c2)c1O ZINC000189485395 521367705 /nfs/dbraw/zinc/36/77/05/521367705.db2.gz YBDDPMNNKYPVMF-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CCOc1cccc(C[NH2+]Cc2cccc(CSC)c2)c1[O-] ZINC000189485395 521367713 /nfs/dbraw/zinc/36/77/13/521367713.db2.gz YBDDPMNNKYPVMF-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CCCN(CCC)c1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000270267661 521651294 /nfs/dbraw/zinc/65/12/94/521651294.db2.gz XDTXVAOCYAPYCZ-HNNXBMFYSA-N 0 3 300.450 3.887 20 10 DHCDHN Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1[O-] ZINC000367733162 524389871 /nfs/dbraw/zinc/38/98/71/524389871.db2.gz ZVBXWKFSUCQDMY-FQEVSTJZSA-N 0 3 311.425 3.646 20 10 DHCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180695801 524398060 /nfs/dbraw/zinc/39/80/60/524398060.db2.gz SDUUSYYHSNGAAM-HOTGVXAUSA-N 0 3 317.454 3.850 20 10 DHCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180695801 524398069 /nfs/dbraw/zinc/39/80/69/524398069.db2.gz SDUUSYYHSNGAAM-HOTGVXAUSA-N 0 3 317.454 3.850 20 10 DHCDHN C[C@H](N[C@H]1c2cccc(F)c2O[C@@H]1C)c1cc(F)ccc1O ZINC000368484743 525639164 /nfs/dbraw/zinc/63/91/64/525639164.db2.gz ZEQKYLJKMPDMHV-YNHOBRIKSA-N 0 3 305.324 3.843 20 10 DHCDHN CCOc1cccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1[O-] ZINC000285567861 535459733 /nfs/dbraw/zinc/45/97/33/535459733.db2.gz TZOORMSZFLBPDM-UHFFFAOYSA-N 0 3 310.397 3.870 20 10 DHCDHN CC[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(C)cc1[O-] ZINC000280286015 535894391 /nfs/dbraw/zinc/89/43/91/535894391.db2.gz YVRWNVXCBULHCK-SFHVURJKSA-N 0 3 302.462 3.758 20 10 DHCDHN CN(C)Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000293719584 536033413 /nfs/dbraw/zinc/03/34/13/536033413.db2.gz VKHCVHOMZDHKBT-UHFFFAOYSA-N 0 3 322.811 3.536 20 10 DHCDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(N(C)C)cc1 ZINC000289309869 537022031 /nfs/dbraw/zinc/02/20/31/537022031.db2.gz SXKCXZGQHPQJAC-KRWDZBQOSA-N 0 3 314.404 3.677 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccccc1[O-] ZINC000155187492 1013276252 /nfs/dbraw/zinc/27/62/52/1013276252.db2.gz WEPMDKXNWWIALK-MRXNPFEDSA-N 0 3 300.402 3.815 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1ccccc1[O-] ZINC000155224872 1013306319 /nfs/dbraw/zinc/30/63/19/1013306319.db2.gz GKNWKHPSQIXZSL-OAHLLOKOSA-N 0 3 301.386 3.650 20 10 DHCDHN Cc1ccncc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000280773302 1013345482 /nfs/dbraw/zinc/34/54/82/1013345482.db2.gz FGHPVAMQBNMSFH-UHFFFAOYSA-N 0 3 309.457 3.916 20 10 DHCDHN C[C@H]1CCCN(c2ccc(CNCc3cnc[nH]3)cc2Cl)C1 ZINC000894663733 1013445846 /nfs/dbraw/zinc/44/58/46/1013445846.db2.gz BFRLHKYGKOHYGX-ZDUSSCGKSA-N 0 3 318.852 3.589 20 10 DHCDHN COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c([O-])c1 ZINC000093008478 1013458697 /nfs/dbraw/zinc/45/86/97/1013458697.db2.gz DJQCGSZAMMPUKL-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c([O-])c1 ZINC000093008478 1013458702 /nfs/dbraw/zinc/45/87/02/1013458702.db2.gz DJQCGSZAMMPUKL-QGZVFWFLSA-N 0 3 313.397 3.747 20 10 DHCDHN [O-]c1ccccc1C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000136959637 1013508549 /nfs/dbraw/zinc/50/85/49/1013508549.db2.gz NCYDYCXIYRANBV-RTWAWAEBSA-N 0 3 319.404 3.957 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1[O-] ZINC000155484490 1013852024 /nfs/dbraw/zinc/85/20/24/1013852024.db2.gz SFGRYSUHTZLHFY-MRXNPFEDSA-N 0 3 302.393 3.838 20 10 DHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000160553507 1014234439 /nfs/dbraw/zinc/23/44/39/1014234439.db2.gz JRRPQQJGADLHRX-AWEZNQCLSA-N 0 3 315.436 3.809 20 10 DHCDHN COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000280823753 1014357824 /nfs/dbraw/zinc/35/78/24/1014357824.db2.gz IYWOICJCJYIYAD-KBPBESRZSA-N 0 3 315.413 3.691 20 10 DHCDHN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276141522 1014716012 /nfs/dbraw/zinc/71/60/12/1014716012.db2.gz NMAAIOGYIREYSN-DCAQKATOSA-N 0 3 316.239 3.537 20 10 DHCDHN COc1cc(C)cc(CNCc2ccc(C(C)(C)C)o2)c1O ZINC000895462201 1015166171 /nfs/dbraw/zinc/16/61/71/1015166171.db2.gz TXXVBFZODMGQPA-UHFFFAOYSA-N 0 3 303.402 3.890 20 10 DHCDHN CN(C)c1ccc(/C=C/CN2CC[C@@H](c3nccs3)C2)cc1 ZINC000895580523 1015216602 /nfs/dbraw/zinc/21/66/02/1015216602.db2.gz BLOKHZOLUPQEBV-QDLOVBKTSA-N 0 3 313.470 3.712 20 10 DHCDHN CCC[N@H+](Cc1cn2ccnc2s1)Cc1ccccc1[O-] ZINC000891853343 1015685151 /nfs/dbraw/zinc/68/51/51/1015685151.db2.gz JLRYKEGQSWPVST-UHFFFAOYSA-N 0 3 301.415 3.514 20 10 DHCDHN CCC[N@@H+](Cc1cn2ccnc2s1)Cc1ccccc1[O-] ZINC000891853343 1015685159 /nfs/dbraw/zinc/68/51/59/1015685159.db2.gz JLRYKEGQSWPVST-UHFFFAOYSA-N 0 3 301.415 3.514 20 10 DHCDHN C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1cc(F)ccc1[O-] ZINC000184835242 1016388899 /nfs/dbraw/zinc/38/88/99/1016388899.db2.gz LTICMHLIEYOKGQ-PXAZEXFGSA-N 0 3 320.383 3.624 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccccc1O)c1ccc(Br)cn1 ZINC000281199226 1016396960 /nfs/dbraw/zinc/39/69/60/1016396960.db2.gz RVLQJULTVODPOW-WDEREUQCSA-N 0 3 321.218 3.962 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Br)cn1 ZINC000281199226 1016396971 /nfs/dbraw/zinc/39/69/71/1016396971.db2.gz RVLQJULTVODPOW-WDEREUQCSA-N 0 3 321.218 3.962 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)c([O-])c1 ZINC000184987082 1016481192 /nfs/dbraw/zinc/48/11/92/1016481192.db2.gz IGSATQTYYFZQNB-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(F)ccc1[O-] ZINC000185233942 1016775842 /nfs/dbraw/zinc/77/58/42/1016775842.db2.gz ATYBQXCSXNGXAH-ZDUSSCGKSA-N 0 3 314.404 3.765 20 10 DHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000848551154 1016874508 /nfs/dbraw/zinc/87/45/08/1016874508.db2.gz FGMWPUQGBLTPGC-IUCAKERBSA-N 0 3 320.202 3.562 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000185457383 1016935681 /nfs/dbraw/zinc/93/56/81/1016935681.db2.gz PUPOSXCHYZPWTE-HOCLYGCPSA-N 0 3 314.404 3.851 20 10 DHCDHN C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000091974435 1032465413 /nfs/dbraw/zinc/46/54/13/1032465413.db2.gz NUKVZCAFTMTJNF-UHFFFAOYSA-N 0 3 311.360 3.553 20 10 DHCDHN C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000091974435 1032465418 /nfs/dbraw/zinc/46/54/18/1032465418.db2.gz NUKVZCAFTMTJNF-UHFFFAOYSA-N 0 3 311.360 3.553 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1[O-] ZINC000192848102 1017098982 /nfs/dbraw/zinc/09/89/82/1017098982.db2.gz CDCYSCUCRPWWJZ-MLGOLLRUSA-N 0 3 313.401 3.685 20 10 DHCDHN CC[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773012152 1032526089 /nfs/dbraw/zinc/52/60/89/1032526089.db2.gz VXIYJHAJMDFLQB-OALUTQOASA-N 0 3 316.420 3.666 20 10 DHCDHN CCN(CC)c1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1F ZINC000799736359 1012490711 /nfs/dbraw/zinc/49/07/11/1012490711.db2.gz OZELKHKMNBIDPZ-GDBMZVCRSA-N 0 3 308.441 3.671 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC000716294597 1032692882 /nfs/dbraw/zinc/69/28/82/1032692882.db2.gz WCHXPTJJMFRVTQ-WMZOPIPTSA-N 0 3 310.441 3.626 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC000716294594 1032693275 /nfs/dbraw/zinc/69/32/75/1032693275.db2.gz WCHXPTJJMFRVTQ-FUHWJXTLSA-N 0 3 310.441 3.626 20 10 DHCDHN Cc1cnc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840974994 1017728732 /nfs/dbraw/zinc/72/87/32/1017728732.db2.gz BBZSKQXLAJLWED-CYBMUJFWSA-N 0 3 303.475 3.547 20 10 DHCDHN Cc1cc(CNCc2ccc(N3CCC(C)CC3)cc2)ccn1 ZINC000858131833 1032776847 /nfs/dbraw/zinc/77/68/47/1032776847.db2.gz JXQTTWLRSGEDPZ-UHFFFAOYSA-N 0 3 309.457 3.916 20 10 DHCDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000765607880 1018998067 /nfs/dbraw/zinc/99/80/67/1018998067.db2.gz FALFHGFIIDCWRF-GOSISDBHSA-N 0 3 309.409 3.933 20 10 DHCDHN Cc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921634557 1019332779 /nfs/dbraw/zinc/33/27/79/1019332779.db2.gz OORRLZIJGJYWNF-GOSISDBHSA-N 0 3 309.409 3.933 20 10 DHCDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC2(CCCCC2)O1 ZINC001171636109 1032834601 /nfs/dbraw/zinc/83/46/01/1032834601.db2.gz LGBXUDMUEPHMHR-INIZCTEOSA-N 0 3 302.462 3.676 20 10 DHCDHN CC[C@@H](C)N(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000727161321 1019661898 /nfs/dbraw/zinc/66/18/98/1019661898.db2.gz HAOFNEJTJCQJKZ-MRXNPFEDSA-N 0 3 312.457 3.879 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000765992294 1020126487 /nfs/dbraw/zinc/12/64/87/1020126487.db2.gz IFWTXOQZYACQMP-DLBZAZTESA-N 0 3 322.880 3.788 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000176983042 1020153762 /nfs/dbraw/zinc/15/37/62/1020153762.db2.gz MYAPXJUSTPVWOF-WDEREUQCSA-N 0 3 303.333 3.672 20 10 DHCDHN CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000186241911 1020170723 /nfs/dbraw/zinc/17/07/23/1020170723.db2.gz IAPVZWVSYDLCOE-CQSZACIVSA-N 0 3 322.449 3.736 20 10 DHCDHN CCC(CC)[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732231456 1020214189 /nfs/dbraw/zinc/21/41/89/1020214189.db2.gz XXQKQRODMCRLCN-HXUWFJFHSA-N 0 3 313.441 3.946 20 10 DHCDHN CCc1cccc2c(CC[NH2+]Cc3c([O-])cccc3OC)c[nH]c21 ZINC000732230116 1020214229 /nfs/dbraw/zinc/21/42/29/1020214229.db2.gz BZRKKUZVALIASD-UHFFFAOYSA-N 0 3 324.424 3.777 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922722361 1020239362 /nfs/dbraw/zinc/23/93/62/1020239362.db2.gz GGVNVMIEQAMPKS-SXLOBPIMSA-N 0 3 321.420 3.740 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922774839 1020256863 /nfs/dbraw/zinc/25/68/63/1020256863.db2.gz DIMRXYINZFSXPH-RHSMWYFYSA-N 0 3 319.351 3.539 20 10 DHCDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000733325214 1020371175 /nfs/dbraw/zinc/37/11/75/1020371175.db2.gz FBAZKUDDOHLFPV-ZIAGYGMSSA-N 0 3 324.896 3.892 20 10 DHCDHN O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179578469 1020411387 /nfs/dbraw/zinc/41/13/87/1020411387.db2.gz OUPPCTRFQLFOTP-INIZCTEOSA-N 0 3 313.372 3.626 20 10 DHCDHN O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179578469 1020411390 /nfs/dbraw/zinc/41/13/90/1020411390.db2.gz OUPPCTRFQLFOTP-INIZCTEOSA-N 0 3 313.372 3.626 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000282701172 1020504723 /nfs/dbraw/zinc/50/47/23/1020504723.db2.gz KWYRSFCXGZVKBA-LLVKDONJSA-N 0 3 306.793 3.608 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000738158583 1020863368 /nfs/dbraw/zinc/86/33/68/1020863368.db2.gz MTZFEZFPCKJUJX-INIZCTEOSA-N 0 3 307.397 3.579 20 10 DHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000738158583 1020863376 /nfs/dbraw/zinc/86/33/76/1020863376.db2.gz MTZFEZFPCKJUJX-INIZCTEOSA-N 0 3 307.397 3.579 20 10 DHCDHN COCCN(Cc1cccs1)Cc1cc(C)c(C)cc1O ZINC000740758325 1020946426 /nfs/dbraw/zinc/94/64/26/1020946426.db2.gz ARKIKPLYHSAWAQ-UHFFFAOYSA-N 0 3 305.443 3.719 20 10 DHCDHN CC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1[O-] ZINC000159573150 1020985326 /nfs/dbraw/zinc/98/53/26/1020985326.db2.gz QXXPMHIOPWAYQW-GOSISDBHSA-N 0 3 307.397 3.819 20 10 DHCDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]2CCO[C@H]21 ZINC000741255126 1020995097 /nfs/dbraw/zinc/99/50/97/1020995097.db2.gz GCCDRMGVOVAKLE-DFQSSKMNSA-N 0 3 323.436 3.962 20 10 DHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000742371049 1021113064 /nfs/dbraw/zinc/11/30/64/1021113064.db2.gz GPWWZTNEJVGNDJ-KRWDZBQOSA-N 0 3 322.880 3.932 20 10 DHCDHN COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c([O-])c1 ZINC000850389394 1021505797 /nfs/dbraw/zinc/50/57/97/1021505797.db2.gz WHJYNDWEMJGJRS-DLBZAZTESA-N 0 3 319.445 3.617 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000850526389 1021579218 /nfs/dbraw/zinc/57/92/18/1021579218.db2.gz BRZNSRNOIGXBNA-KHSQJDLVSA-N 0 3 313.372 3.848 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000850526391 1021579922 /nfs/dbraw/zinc/57/99/22/1021579922.db2.gz BRZNSRNOIGXBNA-MGJUMRQLSA-N 0 3 313.372 3.848 20 10 DHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccccc1[O-] ZINC000850537845 1021593072 /nfs/dbraw/zinc/59/30/72/1021593072.db2.gz AHIINZNXBPAPJM-CRAIPNDOSA-N 0 3 302.462 3.840 20 10 DHCDHN CC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(C)cc1[O-] ZINC000850551467 1021599703 /nfs/dbraw/zinc/59/97/03/1021599703.db2.gz SAESBWGXJOVTCL-KRWDZBQOSA-N 0 3 313.445 3.943 20 10 DHCDHN CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000850553653 1021600909 /nfs/dbraw/zinc/60/09/09/1021600909.db2.gz AANYIQUINAAYER-BKTGTZMESA-N 0 3 317.404 3.940 20 10 DHCDHN C[C@@H](NCC1=CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850557464 1021603686 /nfs/dbraw/zinc/60/36/86/1021603686.db2.gz PNBDMQRIBCSJJD-CQSZACIVSA-N 0 3 320.864 3.938 20 10 DHCDHN C[C@H](NCC1=CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850557463 1021603780 /nfs/dbraw/zinc/60/37/80/1021603780.db2.gz PNBDMQRIBCSJJD-AWEZNQCLSA-N 0 3 320.864 3.938 20 10 DHCDHN Oc1ccc(-c2ccccc2)cc1CNCc1ccc(F)cn1 ZINC000763517780 1021609364 /nfs/dbraw/zinc/60/93/64/1021609364.db2.gz GWPILAFLMCIQGC-UHFFFAOYSA-N 0 3 308.356 3.883 20 10 DHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000850566734 1021610936 /nfs/dbraw/zinc/61/09/36/1021610936.db2.gz ROZXGNYWIJBLCV-AWEZNQCLSA-N 0 3 316.470 3.560 20 10 DHCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@H]1CC1(C)C ZINC001237122293 1021703948 /nfs/dbraw/zinc/70/39/48/1021703948.db2.gz HLIWQHQDUBGETO-SNVBAGLBSA-N 0 3 303.324 3.769 20 10 DHCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@H]1CC1(C)C ZINC001237122293 1021703963 /nfs/dbraw/zinc/70/39/63/1021703963.db2.gz HLIWQHQDUBGETO-SNVBAGLBSA-N 0 3 303.324 3.769 20 10 DHCDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000182873040 1021844301 /nfs/dbraw/zinc/84/43/01/1021844301.db2.gz XHOPFWIIKWCSPQ-CYBMUJFWSA-N 0 3 300.358 3.802 20 10 DHCDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000182873040 1021844321 /nfs/dbraw/zinc/84/43/21/1021844321.db2.gz XHOPFWIIKWCSPQ-CYBMUJFWSA-N 0 3 300.358 3.802 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ncc(C)c(OC)c1C ZINC000110030884 1021912403 /nfs/dbraw/zinc/91/24/03/1021912403.db2.gz LWVFXUOMOLJYIZ-UHFFFAOYSA-N 0 3 314.429 3.825 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ncc(C)c(OC)c1C ZINC000110030884 1021912413 /nfs/dbraw/zinc/91/24/13/1021912413.db2.gz LWVFXUOMOLJYIZ-UHFFFAOYSA-N 0 3 314.429 3.825 20 10 DHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc(F)n1)C1CCCC1 ZINC000851771907 1021993666 /nfs/dbraw/zinc/99/36/66/1021993666.db2.gz RHINGLSJIBSAFK-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(F)n1)C1CCCC1 ZINC000851771907 1021993677 /nfs/dbraw/zinc/99/36/77/1021993677.db2.gz RHINGLSJIBSAFK-UHFFFAOYSA-N 0 3 300.377 3.871 20 10 DHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000752264866 1022047514 /nfs/dbraw/zinc/04/75/14/1022047514.db2.gz GDIXZZOXJPQQBU-NWDGAFQWSA-N 0 3 317.351 3.859 20 10 DHCDHN C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756363390 1022093014 /nfs/dbraw/zinc/09/30/14/1022093014.db2.gz OAGYBTPRNUACAS-OLZOCXBDSA-N 0 3 312.404 3.586 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(-n2cccn2)c1 ZINC000183539244 1022180247 /nfs/dbraw/zinc/18/02/47/1022180247.db2.gz WEAZPRMKYMHTBO-GJZGRUSLSA-N 0 3 307.397 3.990 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC000111214356 1022251190 /nfs/dbraw/zinc/25/11/90/1022251190.db2.gz IGCHSMQNBHUAIV-UHFFFAOYSA-N 0 3 322.408 3.646 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC000111214356 1022251198 /nfs/dbraw/zinc/25/11/98/1022251198.db2.gz IGCHSMQNBHUAIV-UHFFFAOYSA-N 0 3 322.408 3.646 20 10 DHCDHN C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccccc1[O-] ZINC000183671904 1022263104 /nfs/dbraw/zinc/26/31/04/1022263104.db2.gz APCCHODENFUAJY-GJZGRUSLSA-N 0 3 305.418 3.509 20 10 DHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC23CCCC3)c1[O-] ZINC000763453089 1022279234 /nfs/dbraw/zinc/27/92/34/1022279234.db2.gz QKEHJCJFICKABC-CYBMUJFWSA-N 0 3 310.235 3.885 20 10 DHCDHN C[C@H]1CN(Cc2c(O)ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631261 1022301381 /nfs/dbraw/zinc/30/13/81/1022301381.db2.gz UQQOLVZOYMFBEF-SGTLLEGYSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631261 1022301399 /nfs/dbraw/zinc/30/13/99/1022301399.db2.gz UQQOLVZOYMFBEF-SGTLLEGYSA-N 0 3 321.367 3.790 20 10 DHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@](C)(C(F)F)O1 ZINC000853631261 1022301411 /nfs/dbraw/zinc/30/14/11/1022301411.db2.gz UQQOLVZOYMFBEF-SGTLLEGYSA-N 0 3 321.367 3.790 20 10 DHCDHN Cc1ccc(O)c([C@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000363861435 1022346607 /nfs/dbraw/zinc/34/66/07/1022346607.db2.gz WQYVPQZOCQBKFO-MGPUTAFESA-N 0 3 321.424 3.874 20 10 DHCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(OC)c(OC)c1 ZINC000268808658 1022381039 /nfs/dbraw/zinc/38/10/39/1022381039.db2.gz GLIZHXCYGLAKCJ-HNNXBMFYSA-N 0 3 301.386 3.650 20 10 DHCDHN CCOc1ccc(O)c(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179623355 1022483805 /nfs/dbraw/zinc/48/38/05/1022483805.db2.gz KGOJBOTZKOESGJ-LBPRGKRZSA-N 0 3 303.324 3.565 20 10 DHCDHN COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185578932 1022502923 /nfs/dbraw/zinc/50/29/23/1022502923.db2.gz IVABUWGZUMLYNV-CHWSQXEVSA-N 0 3 319.376 3.658 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000697824520 1033062748 /nfs/dbraw/zinc/06/27/48/1033062748.db2.gz PIUPDKMSWWJUOJ-UKRRQHHQSA-N 0 3 322.449 3.594 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)OC(C)(C)C3)c2c1 ZINC000068462327 1022644637 /nfs/dbraw/zinc/64/46/37/1022644637.db2.gz DPVINGJEUSCXTH-ZDUSSCGKSA-N 0 3 315.413 3.553 20 10 DHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)OC(C)(C)C3)c2c1 ZINC000068462327 1022644647 /nfs/dbraw/zinc/64/46/47/1022644647.db2.gz DPVINGJEUSCXTH-ZDUSSCGKSA-N 0 3 315.413 3.553 20 10 DHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CCSCC1 ZINC000876532048 1033087009 /nfs/dbraw/zinc/08/70/09/1033087009.db2.gz XJEFQYKLXYWUFM-QGZVFWFLSA-N 0 3 321.486 3.516 20 10 DHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CCSCC1 ZINC000876532048 1033087031 /nfs/dbraw/zinc/08/70/31/1033087031.db2.gz XJEFQYKLXYWUFM-QGZVFWFLSA-N 0 3 321.486 3.516 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2c1c(F)ccc2[O-] ZINC000768238958 1022925442 /nfs/dbraw/zinc/92/54/42/1022925442.db2.gz IKXATOWMMCLITE-HQPOHGQNSA-N 0 3 317.404 3.627 20 10 DHCDHN Cc1nc(C)c(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)s1 ZINC000756556381 1022936663 /nfs/dbraw/zinc/93/66/63/1022936663.db2.gz WJUILSSMBZEZKJ-ZANVPECISA-N 0 3 320.433 3.985 20 10 DHCDHN COc1cc(CN2CCOC3(C2)CCCCCC3)c(O)cc1C ZINC000768462437 1022974279 /nfs/dbraw/zinc/97/42/79/1022974279.db2.gz LKFRUBVNTITAMW-UHFFFAOYSA-N 0 3 319.445 3.634 20 10 DHCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(c2cccc(F)c2)CC1 ZINC000364298567 1022995078 /nfs/dbraw/zinc/99/50/78/1022995078.db2.gz GREVDSDPXZOHGW-UHFFFAOYSA-N 0 3 314.404 3.632 20 10 DHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(c2cccc(F)c2)CC1 ZINC000364298567 1022995094 /nfs/dbraw/zinc/99/50/94/1022995094.db2.gz GREVDSDPXZOHGW-UHFFFAOYSA-N 0 3 314.404 3.632 20 10 DHCDHN COCCN(Cc1c(O)cccc1OC)[C@H](C)c1ccccc1 ZINC000768595948 1022997827 /nfs/dbraw/zinc/99/78/27/1022997827.db2.gz JNLWDRBHKUQPAT-OAHLLOKOSA-N 0 3 315.413 3.610 20 10 DHCDHN COCC[N@H+](Cc1c([O-])cccc1OC)[C@H](C)c1ccccc1 ZINC000768595948 1022997834 /nfs/dbraw/zinc/99/78/34/1022997834.db2.gz JNLWDRBHKUQPAT-OAHLLOKOSA-N 0 3 315.413 3.610 20 10 DHCDHN COCC[N@@H+](Cc1c([O-])cccc1OC)[C@H](C)c1ccccc1 ZINC000768595948 1022997846 /nfs/dbraw/zinc/99/78/46/1022997846.db2.gz JNLWDRBHKUQPAT-OAHLLOKOSA-N 0 3 315.413 3.610 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)CC2 ZINC000296123237 1023004835 /nfs/dbraw/zinc/00/48/35/1023004835.db2.gz VLECDWBBMQLLCG-CQSZACIVSA-N 0 3 305.324 3.771 20 10 DHCDHN CCOc1ccc(C[N@H+](CC)CCc2cccs2)c([O-])c1 ZINC000768756764 1023022747 /nfs/dbraw/zinc/02/27/47/1023022747.db2.gz BVBYOIQGXKWLLE-UHFFFAOYSA-N 0 3 305.443 3.917 20 10 DHCDHN CCOc1ccc(C[N@@H+](CC)CCc2cccs2)c([O-])c1 ZINC000768756764 1023022758 /nfs/dbraw/zinc/02/27/58/1023022758.db2.gz BVBYOIQGXKWLLE-UHFFFAOYSA-N 0 3 305.443 3.917 20 10 DHCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@@H](F)C2)c1 ZINC001236664100 1023034462 /nfs/dbraw/zinc/03/44/62/1023034462.db2.gz SILYQMJQFBRSAY-GFCCVEGCSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001236664100 1023034473 /nfs/dbraw/zinc/03/44/73/1023034473.db2.gz SILYQMJQFBRSAY-GFCCVEGCSA-N 0 3 316.214 3.787 20 10 DHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001236664100 1023034488 /nfs/dbraw/zinc/03/44/88/1023034488.db2.gz SILYQMJQFBRSAY-GFCCVEGCSA-N 0 3 316.214 3.787 20 10 DHCDHN CC[C@@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccccc1[O-] ZINC000364365933 1023086423 /nfs/dbraw/zinc/08/64/23/1023086423.db2.gz UBFLXWNUMFENHF-SJORKVTESA-N 0 3 313.397 3.965 20 10 DHCDHN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000759835387 1023098058 /nfs/dbraw/zinc/09/80/58/1023098058.db2.gz CVHIBWFSZZJCTL-JKSUJKDBSA-N 0 3 311.425 3.964 20 10 DHCDHN CN(C)c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000769316594 1023121456 /nfs/dbraw/zinc/12/14/56/1023121456.db2.gz JSYBCYZMKVEXAL-GOSISDBHSA-N 0 3 324.424 3.818 20 10 DHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000769378170 1023136191 /nfs/dbraw/zinc/13/61/91/1023136191.db2.gz ADNGLHJOTWPWHE-ZDUSSCGKSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000769378170 1023136193 /nfs/dbraw/zinc/13/61/93/1023136193.db2.gz ADNGLHJOTWPWHE-ZDUSSCGKSA-N 0 3 301.361 3.529 20 10 DHCDHN COc1cccc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000769424582 1023147666 /nfs/dbraw/zinc/14/76/66/1023147666.db2.gz LSIFGQSUGFMYAT-FQEVSTJZSA-N 0 3 311.425 3.955 20 10 DHCDHN COc1cccc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000769424582 1023147671 /nfs/dbraw/zinc/14/76/71/1023147671.db2.gz LSIFGQSUGFMYAT-FQEVSTJZSA-N 0 3 311.425 3.955 20 10 DHCDHN CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000769499965 1023167133 /nfs/dbraw/zinc/16/71/33/1023167133.db2.gz YAADKMRHWLUSCP-WBVHZDCISA-N 0 3 307.459 3.651 20 10 DHCDHN CCOc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000769499965 1023167138 /nfs/dbraw/zinc/16/71/38/1023167138.db2.gz YAADKMRHWLUSCP-WBVHZDCISA-N 0 3 307.459 3.651 20 10 DHCDHN CC[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991737 1023257781 /nfs/dbraw/zinc/25/77/81/1023257781.db2.gz ZTEZGKMVXZUYLK-SJORKVTESA-N 0 3 304.459 3.588 20 10 DHCDHN Cc1cccc(C2=CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000770660248 1023334544 /nfs/dbraw/zinc/33/45/44/1023334544.db2.gz FIKVOILCYACVCB-UHFFFAOYSA-N 0 3 323.392 3.719 20 10 DHCDHN CN(C)c1ccc(CN(C)Cc2nccc3ccccc32)cc1 ZINC000771935466 1023489843 /nfs/dbraw/zinc/48/98/43/1023489843.db2.gz UWEZPWWJSUWRHE-UHFFFAOYSA-N 0 3 305.425 3.933 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c([O-])c1 ZINC000788815688 1023939722 /nfs/dbraw/zinc/93/97/22/1023939722.db2.gz PQWUOGJLHSJGEO-RDJZCZTQSA-N 0 3 305.462 3.848 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCOCC1 ZINC000268565068 1024128420 /nfs/dbraw/zinc/12/84/20/1024128420.db2.gz PDNXWKYKWUKNKJ-OAHLLOKOSA-N 0 3 311.425 3.964 20 10 DHCDHN COCCCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000116879125 1033191210 /nfs/dbraw/zinc/19/12/10/1033191210.db2.gz JKLZIHGUJCDICO-UHFFFAOYSA-N 0 3 303.402 3.804 20 10 DHCDHN COCCCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000116879125 1033191218 /nfs/dbraw/zinc/19/12/18/1033191218.db2.gz JKLZIHGUJCDICO-UHFFFAOYSA-N 0 3 303.402 3.804 20 10 DHCDHN CC1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])c2ccc(F)cc2O1 ZINC000268801131 1024162274 /nfs/dbraw/zinc/16/22/74/1024162274.db2.gz BCIPPTDCZWGTCO-OAHLLOKOSA-N 0 3 301.361 3.923 20 10 DHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000876972974 1033195100 /nfs/dbraw/zinc/19/51/00/1033195100.db2.gz UGXJEBFSUXLWSR-OAHLLOKOSA-N 0 3 324.424 3.678 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000876968806 1033195322 /nfs/dbraw/zinc/19/53/22/1033195322.db2.gz UBUDBNSEPAYECP-UYAOXDASSA-N 0 3 311.425 3.958 20 10 DHCDHN O=C(c1cccc2c1CCNC2)N1CCCCCc2ccccc21 ZINC000662634239 1024287598 /nfs/dbraw/zinc/28/75/98/1024287598.db2.gz DJZVBGOGOYWYKP-UHFFFAOYSA-N 0 3 320.436 3.706 20 10 DHCDHN CC(C)[NH+](CCCNCc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790970149 1024409213 /nfs/dbraw/zinc/40/92/13/1024409213.db2.gz ALEFTYDZLJVHAO-UHFFFAOYSA-N 0 3 316.848 3.783 20 10 DHCDHN CC[C@@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccccc1[O-] ZINC000271681645 1024560616 /nfs/dbraw/zinc/56/06/16/1024560616.db2.gz ILWDVZAMTJTMBI-CQSZACIVSA-N 0 3 306.793 3.690 20 10 DHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000877123324 1033247371 /nfs/dbraw/zinc/24/73/71/1033247371.db2.gz TXOLTYQVYATUOL-CQSZACIVSA-N 0 3 323.396 3.644 20 10 DHCDHN COc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)c([O-])c1 ZINC000793386697 1025029765 /nfs/dbraw/zinc/02/97/65/1025029765.db2.gz XTTCEBAQCBNJBD-UHFFFAOYSA-N 0 3 318.442 3.805 20 10 DHCDHN COCc1ccc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)o1 ZINC000137073963 1025495712 /nfs/dbraw/zinc/49/57/12/1025495712.db2.gz KXLCDKVXACUMQF-SFHVURJKSA-N 0 3 314.429 3.829 20 10 DHCDHN Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877337185 1033286641 /nfs/dbraw/zinc/28/66/41/1033286641.db2.gz RFYIDJALDBGNGD-PKOBYXMFSA-N 0 3 315.388 3.850 20 10 DHCDHN C[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000359997748 1025733563 /nfs/dbraw/zinc/73/35/63/1025733563.db2.gz KLSFBBANPNHQOA-AWEZNQCLSA-N 0 3 314.404 3.851 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180095 1025832611 /nfs/dbraw/zinc/83/26/11/1025832611.db2.gz JUIZUJDQKULYCO-PBHICJAKSA-N 0 3 319.832 3.862 20 10 DHCDHN CCc1nc(C)c([C@H](C)N(C)Cc2cccc(OC)c2O)s1 ZINC000093612541 1026120723 /nfs/dbraw/zinc/12/07/23/1026120723.db2.gz GRMNIIPNDUDYEG-LBPRGKRZSA-N 0 3 320.458 3.921 20 10 DHCDHN COc1cc(C)cc(CN[C@H](C)c2ccc(F)cc2F)c1O ZINC000894160512 1026215030 /nfs/dbraw/zinc/21/50/30/1026215030.db2.gz NBSFRRXZUDMOQK-LLVKDONJSA-N 0 3 307.340 3.838 20 10 DHCDHN CCN(CC)c1ccc(CNCc2cnc3onc(C)c3c2)cc1 ZINC000894194947 1026337637 /nfs/dbraw/zinc/33/76/37/1026337637.db2.gz RVAPVUUNZVOUQU-UHFFFAOYSA-N 0 3 324.428 3.667 20 10 DHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1O ZINC000808692765 1026349958 /nfs/dbraw/zinc/34/99/58/1026349958.db2.gz ZOZOTISERWYJRN-NSHDSACASA-N 0 3 321.804 3.919 20 10 DHCDHN Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808674122 1026353401 /nfs/dbraw/zinc/35/34/01/1026353401.db2.gz NUDNHDQQZODMBW-NSHDSACASA-N 0 3 321.852 3.598 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc32)c2c1c(F)ccc2[O-] ZINC000808727776 1026357657 /nfs/dbraw/zinc/35/76/57/1026357657.db2.gz LUUVDAPIEMZDCX-JMSVASOKSA-N 0 3 313.372 3.845 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000808707243 1026358010 /nfs/dbraw/zinc/35/80/10/1026358010.db2.gz IVGJPWGCBFQPED-ZBEGNZNMSA-N 0 3 323.795 3.877 20 10 DHCDHN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])[nH]n1 ZINC000808706207 1026358962 /nfs/dbraw/zinc/35/89/62/1026358962.db2.gz FFJYXIHSBIFWRA-JQWIXIFHSA-N 0 3 307.825 3.667 20 10 DHCDHN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n[nH]1 ZINC000808706207 1026358971 /nfs/dbraw/zinc/35/89/71/1026358971.db2.gz FFJYXIHSBIFWRA-JQWIXIFHSA-N 0 3 307.825 3.667 20 10 DHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1[O-] ZINC000808699080 1026374022 /nfs/dbraw/zinc/37/40/22/1026374022.db2.gz RUWIUFYYDHCHQN-PBXWNFIWSA-N 0 3 309.837 3.818 20 10 DHCDHN CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(C)cc1[O-] ZINC000279973697 1026441896 /nfs/dbraw/zinc/44/18/96/1026441896.db2.gz DCZOOBJZOKSWDZ-SFHVURJKSA-N 0 3 322.412 3.522 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000280038368 1026577167 /nfs/dbraw/zinc/57/71/67/1026577167.db2.gz IQQSMYFCYYHPHX-SJCJKPOMSA-N 0 3 302.418 3.977 20 10 DHCDHN CC[C@@H]([NH2+]CCCCn1ccnc1C)c1ccc(C)cc1[O-] ZINC000280040615 1026577396 /nfs/dbraw/zinc/57/73/96/1026577396.db2.gz IWFGIFOFLYCAPK-QGZVFWFLSA-N 0 3 301.434 3.727 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000280089892 1026587036 /nfs/dbraw/zinc/58/70/36/1026587036.db2.gz MHRIICNWWDHAIA-SJLPKXTDSA-N 0 3 303.377 3.614 20 10 DHCDHN Cc1ccc(CN(CC[NH+](C)C)Cc2c([O-])cccc2Cl)o1 ZINC000809735999 1026609454 /nfs/dbraw/zinc/60/94/54/1026609454.db2.gz YWKQYKRTTCAMJS-UHFFFAOYSA-N 0 3 322.836 3.511 20 10 DHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758140 1026618255 /nfs/dbraw/zinc/61/82/55/1026618255.db2.gz DTTADWBHXQZOKO-CABCVRRESA-N 0 3 323.864 3.993 20 10 DHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758140 1026618256 /nfs/dbraw/zinc/61/82/56/1026618256.db2.gz DTTADWBHXQZOKO-CABCVRRESA-N 0 3 323.864 3.993 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271856806 1027163692 /nfs/dbraw/zinc/16/36/92/1027163692.db2.gz SKZHMVVOGJCIRQ-VXGBXAGGSA-N 0 3 316.357 3.721 20 10 DHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cnc1Br ZINC000931553396 1027169692 /nfs/dbraw/zinc/16/96/92/1027169692.db2.gz CTPUSWZSAMPEKO-NSHDSACASA-N 0 3 321.218 3.709 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2cnn(CC)c2)cc1 ZINC000295824455 1027446034 /nfs/dbraw/zinc/44/60/34/1027446034.db2.gz CAGCVDFBMLQBKH-GJZGRUSLSA-N 0 3 300.450 3.771 20 10 DHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000296525468 1027660429 /nfs/dbraw/zinc/66/04/29/1027660429.db2.gz RIFHVFJXAODJBY-YQVWRLOYSA-N 0 3 309.409 3.889 20 10 DHCDHN Cc1nnsc1CNCc1cc(-c2ccccc2)ccc1O ZINC000813790251 1027713071 /nfs/dbraw/zinc/71/30/71/1027713071.db2.gz LQQPNJMAKNGYCU-UHFFFAOYSA-N 0 3 311.410 3.509 20 10 DHCDHN C[N@H+](CCCOc1ccc(F)cc1)Cc1cc(F)ccc1[O-] ZINC000778999221 1027742594 /nfs/dbraw/zinc/74/25/94/1027742594.db2.gz BBKSDEBALKOQKO-UHFFFAOYSA-N 0 3 307.340 3.571 20 10 DHCDHN C[N@@H+](CCCOc1ccc(F)cc1)Cc1cc(F)ccc1[O-] ZINC000778999221 1027742606 /nfs/dbraw/zinc/74/26/06/1027742606.db2.gz BBKSDEBALKOQKO-UHFFFAOYSA-N 0 3 307.340 3.571 20 10 DHCDHN CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000813877248 1027746133 /nfs/dbraw/zinc/74/61/33/1027746133.db2.gz PKASCWAGIPOBRI-FZMZJTMJSA-N 0 3 318.383 3.649 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000779009035 1027769877 /nfs/dbraw/zinc/76/98/77/1027769877.db2.gz IILSVSOGSCLVFV-HNNXBMFYSA-N 0 3 315.344 3.597 20 10 DHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000779009035 1027769894 /nfs/dbraw/zinc/76/98/94/1027769894.db2.gz IILSVSOGSCLVFV-HNNXBMFYSA-N 0 3 315.344 3.597 20 10 DHCDHN CC[C@@H](c1ccccc1O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000364621027 1027855128 /nfs/dbraw/zinc/85/51/28/1027855128.db2.gz GIDXNIKYJMJJQV-YJBOKZPZSA-N 0 3 301.386 3.818 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c1[O-] ZINC000779038074 1027992216 /nfs/dbraw/zinc/99/22/16/1027992216.db2.gz INAIJICAYDKPGI-UWVGGRQHSA-N 0 3 324.222 3.598 20 10 DHCDHN CCc1cccc2c(CC[NH2+]Cc3cc(F)ccc3[O-])c[nH]c21 ZINC000779081419 1028192930 /nfs/dbraw/zinc/19/29/30/1028192930.db2.gz WCPQTSSJFMVETE-UHFFFAOYSA-N 0 3 312.388 3.907 20 10 DHCDHN Cc1ccc(O)c([C@H](C)NC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000779081518 1028193813 /nfs/dbraw/zinc/19/38/13/1028193813.db2.gz AGMRELWPKNQZJY-AWEZNQCLSA-N 0 3 310.397 3.523 20 10 DHCDHN CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000779148310 1028424803 /nfs/dbraw/zinc/42/48/03/1028424803.db2.gz BZBHKYPSRBSSIH-SJCJKPOMSA-N 0 3 305.805 3.911 20 10 DHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000076074534 1028554660 /nfs/dbraw/zinc/55/46/60/1028554660.db2.gz ICEIXEBBTXTERY-INIZCTEOSA-N 0 3 320.477 3.638 20 10 DHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000076074534 1028554668 /nfs/dbraw/zinc/55/46/68/1028554668.db2.gz ICEIXEBBTXTERY-INIZCTEOSA-N 0 3 320.477 3.638 20 10 DHCDHN C[C@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815584685 1028556977 /nfs/dbraw/zinc/55/69/77/1028556977.db2.gz MJUGKFITHLISPR-APWZRJJASA-N 0 3 313.441 3.674 20 10 DHCDHN C[C@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815584688 1028557169 /nfs/dbraw/zinc/55/71/69/1028557169.db2.gz MJUGKFITHLISPR-VQIMIIECSA-N 0 3 313.441 3.674 20 10 DHCDHN Cc1n[nH]cc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595586 1028562416 /nfs/dbraw/zinc/56/24/16/1028562416.db2.gz VXZALVVCZMXJER-IBGZPJMESA-N 0 3 321.424 3.887 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000815616900 1028573331 /nfs/dbraw/zinc/57/33/31/1028573331.db2.gz AWDYSUXBRUZBAM-KYNGSXCRSA-N 0 3 303.446 3.865 20 10 DHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000370222935 1028577624 /nfs/dbraw/zinc/57/76/24/1028577624.db2.gz PDZQPBNGVHFXLG-AEFFLSMTSA-N 0 3 303.446 3.982 20 10 DHCDHN CCC[N@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1[O-] ZINC000189480829 1028587844 /nfs/dbraw/zinc/58/78/44/1028587844.db2.gz HEZVBANFNGNUOJ-UHFFFAOYSA-N 0 3 323.330 3.521 20 10 DHCDHN CCC[N@@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1[O-] ZINC000189480829 1028587852 /nfs/dbraw/zinc/58/78/52/1028587852.db2.gz HEZVBANFNGNUOJ-UHFFFAOYSA-N 0 3 323.330 3.521 20 10 DHCDHN COCC1(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642348 1028590035 /nfs/dbraw/zinc/59/00/35/1028590035.db2.gz ZMQXVBPPNGWBME-TZMCWYRMSA-N 0 3 307.409 3.876 20 10 DHCDHN COCC1(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642345 1028590535 /nfs/dbraw/zinc/59/05/35/1028590535.db2.gz ZMQXVBPPNGWBME-GXTWGEPZSA-N 0 3 307.409 3.876 20 10 DHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000815645639 1028592781 /nfs/dbraw/zinc/59/27/81/1028592781.db2.gz LTUNABUVFOAQKW-ZJUUUORDSA-N 0 3 304.203 3.862 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000815648464 1028593134 /nfs/dbraw/zinc/59/31/34/1028593134.db2.gz NFHSHISBRRNEIG-FUHWJXTLSA-N 0 3 305.462 3.930 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000372595042 1028872945 /nfs/dbraw/zinc/87/29/45/1028872945.db2.gz OVLKJTMUCCPYMP-IEBWSBKVSA-N 0 3 313.397 3.622 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000816630763 1028985045 /nfs/dbraw/zinc/98/50/45/1028985045.db2.gz QVRUAWZWGSLYDJ-FQEVSTJZSA-N 0 3 323.436 3.939 20 10 DHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630763 1028985062 /nfs/dbraw/zinc/98/50/62/1028985062.db2.gz QVRUAWZWGSLYDJ-FQEVSTJZSA-N 0 3 323.436 3.939 20 10 DHCDHN Cc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc(C)n1 ZINC000817588399 1029216517 /nfs/dbraw/zinc/21/65/17/1029216517.db2.gz FEDNSTRIIHOWEW-BMIGLBTASA-N 0 3 300.377 3.881 20 10 DHCDHN CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000155651964 1029270776 /nfs/dbraw/zinc/27/07/76/1029270776.db2.gz AMYCZGZIBDDRHC-OAHLLOKOSA-N 0 3 322.449 3.690 20 10 DHCDHN CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817969276 1029308337 /nfs/dbraw/zinc/30/83/37/1029308337.db2.gz AREHRDQWZUGILQ-QCZZGDTMSA-N 0 3 317.260 3.738 20 10 DHCDHN CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972321 1029311494 /nfs/dbraw/zinc/31/14/94/1029311494.db2.gz WBAAPGBMVPMASJ-XDTLVQLUSA-N 0 3 317.260 3.738 20 10 DHCDHN C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817975048 1029314158 /nfs/dbraw/zinc/31/41/58/1029314158.db2.gz IDZYZIYABDIUOB-BLLLJJGKSA-N 0 3 312.413 3.927 20 10 DHCDHN COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)c([O-])c1 ZINC000529557306 1029414330 /nfs/dbraw/zinc/41/43/30/1029414330.db2.gz MCNCCCIBHNFXPV-MRXNPFEDSA-N 0 3 321.779 3.970 20 10 DHCDHN Cc1cnc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000374893469 1029490447 /nfs/dbraw/zinc/49/04/47/1029490447.db2.gz JGMQLEZSNNDDDM-GFCCVEGCSA-N 0 3 306.406 3.676 20 10 DHCDHN Cc1cnc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000374893469 1029490450 /nfs/dbraw/zinc/49/04/50/1029490450.db2.gz JGMQLEZSNNDDDM-GFCCVEGCSA-N 0 3 306.406 3.676 20 10 DHCDHN CCCCN(Cc1cncn1C(C)C)Cc1ccccc1O ZINC000822476660 1030039133 /nfs/dbraw/zinc/03/91/33/1030039133.db2.gz SGVNGCCHJGKVQS-UHFFFAOYSA-N 0 3 301.434 3.972 20 10 DHCDHN Cc1ccc(O)c(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000822525606 1030045772 /nfs/dbraw/zinc/04/57/72/1030045772.db2.gz JTAOYKUOHVZROV-QZTJIDSGSA-N 0 3 317.816 3.662 20 10 DHCDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000866248044 1030177959 /nfs/dbraw/zinc/17/79/59/1030177959.db2.gz JYDBVZALAXDQJG-SFHVURJKSA-N 0 3 314.404 3.677 20 10 DHCDHN C[N@H+](Cc1ccc2c(c1)OCCCCO2)Cc1ccccc1[O-] ZINC000823409308 1030281029 /nfs/dbraw/zinc/28/10/29/1030281029.db2.gz XQFBFTDEYNRYSI-UHFFFAOYSA-N 0 3 313.397 3.576 20 10 DHCDHN C[N@@H+](Cc1ccc2c(c1)OCCCCO2)Cc1ccccc1[O-] ZINC000823409308 1030281043 /nfs/dbraw/zinc/28/10/43/1030281043.db2.gz XQFBFTDEYNRYSI-UHFFFAOYSA-N 0 3 313.397 3.576 20 10 DHCDHN C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000866538262 1030357272 /nfs/dbraw/zinc/35/72/72/1030357272.db2.gz PWENHZQQIHSLQB-PCBIJLKTSA-N 0 3 319.420 3.732 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c([O-])c1 ZINC000866539189 1030359083 /nfs/dbraw/zinc/35/90/83/1030359083.db2.gz INVQZIGXXZYAKA-PVAVHDDUSA-N 0 3 303.446 3.722 20 10 DHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000866612974 1030403492 /nfs/dbraw/zinc/40/34/92/1030403492.db2.gz QAZNJUPKUNANDY-JKSUJKDBSA-N 0 3 312.461 3.822 20 10 DHCDHN Cc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)n1C ZINC000824484731 1030565033 /nfs/dbraw/zinc/56/50/33/1030565033.db2.gz RWLZTEUWZYJHNA-UHFFFAOYSA-N 0 3 313.445 3.769 20 10 DHCDHN Cc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)n1C ZINC000824484731 1030565048 /nfs/dbraw/zinc/56/50/48/1030565048.db2.gz RWLZTEUWZYJHNA-UHFFFAOYSA-N 0 3 313.445 3.769 20 10 DHCDHN CC(C)(O)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000825201324 1030747099 /nfs/dbraw/zinc/74/70/99/1030747099.db2.gz JTMKTKYPHMDJOE-UHFFFAOYSA-N 0 3 313.441 3.946 20 10 DHCDHN CCOc1cccc(CN[C@@H]2c3cccc(F)c3O[C@@H]2C)c1O ZINC000360348244 1031388449 /nfs/dbraw/zinc/38/84/49/1031388449.db2.gz XBHGASWCSXQEKR-BZNIZROVSA-N 0 3 317.360 3.542 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CCc3ccccc3N1)CC2 ZINC000844923378 1031401138 /nfs/dbraw/zinc/40/11/38/1031401138.db2.gz FUOXSAXWVDOHCP-AEFFLSMTSA-N 0 3 308.425 3.786 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCc3ccccc3N1)CC2 ZINC000844923382 1031401482 /nfs/dbraw/zinc/40/14/82/1031401482.db2.gz FUOXSAXWVDOHCP-WMZOPIPTSA-N 0 3 308.425 3.786 20 10 DHCDHN C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cc(F)ccc1[O-] ZINC000844922897 1031401981 /nfs/dbraw/zinc/40/19/81/1031401981.db2.gz COTQDGAFFMCGPV-CJNGLKHVSA-N 0 3 314.404 3.999 20 10 DHCDHN CC(F)(F)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000929972722 1031665904 /nfs/dbraw/zinc/66/59/04/1031665904.db2.gz UBIUGIZISWCCPM-OAHLLOKOSA-N 0 3 313.388 3.809 20 10 DHCDHN CC(F)(F)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000929972722 1031665910 /nfs/dbraw/zinc/66/59/10/1031665910.db2.gz UBIUGIZISWCCPM-OAHLLOKOSA-N 0 3 313.388 3.809 20 10 DHCDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873183745 1031745868 /nfs/dbraw/zinc/74/58/68/1031745868.db2.gz FTQJADHWPITZQJ-LBPRGKRZSA-N 0 3 316.357 3.550 20 10 DHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)c2c1c(F)ccc2[O-] ZINC000873289196 1031790210 /nfs/dbraw/zinc/79/02/10/1031790210.db2.gz QVAUVYJIHLIQQZ-OTYXRUKQSA-N 0 3 304.340 3.591 20 10 DHCDHN CC[C@H](N[C@@H](c1ccccc1F)[C@@H](C)O)c1ccccc1O ZINC000846013575 1031807578 /nfs/dbraw/zinc/80/75/78/1031807578.db2.gz MUPSIFBFPPZXDI-PZPSRYQVSA-N 0 3 303.377 3.694 20 10 DHCDHN CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@@H](C)O)c1ccccc1[O-] ZINC000846013575 1031807592 /nfs/dbraw/zinc/80/75/92/1031807592.db2.gz MUPSIFBFPPZXDI-PZPSRYQVSA-N 0 3 303.377 3.694 20 10 DHCDHN CN(C)c1ccc(/C=C\CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846105385 1031878333 /nfs/dbraw/zinc/87/83/33/1031878333.db2.gz TVHIVPBSWWRJFR-MAVJXHJTSA-N 0 3 306.400 3.887 20 10 DHCDHN COc1cccc([C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1O ZINC000846150276 1031884954 /nfs/dbraw/zinc/88/49/54/1031884954.db2.gz CSEPXAABAVJREE-IAQYHMDHSA-N 0 3 317.360 3.714 20 10 DHCDHN COc1cccc([C@H](C)NC2(c3cccc(F)c3)CC2)c1O ZINC000846161078 1031891823 /nfs/dbraw/zinc/89/18/23/1031891823.db2.gz BMLRENFUPJNGEZ-LBPRGKRZSA-N 0 3 301.361 3.880 20 10 DHCDHN COc1cccc([C@H](C)NCc2ccc([C@@H]3C[C@H]3C)o2)c1O ZINC000846141741 1031904552 /nfs/dbraw/zinc/90/45/52/1031904552.db2.gz RZTHQVMUXOIAJL-TYNCELHUSA-N 0 3 301.386 3.968 20 10 DHCDHN COc1ccc(C)cc1CN[C@H](C)c1cccc(OC)c1O ZINC000846146496 1031910763 /nfs/dbraw/zinc/91/07/63/1031910763.db2.gz JBTFYDQSIMKAPQ-CYBMUJFWSA-N 0 3 301.386 3.569 20 10 DHCDHN CCN(CC)c1ccc(CNCc2c(C)nc3ccccn32)cc1 ZINC000898278087 1032015636 /nfs/dbraw/zinc/01/56/36/1032015636.db2.gz BCROAUJHAUGESL-UHFFFAOYSA-N 0 3 322.456 3.779 20 10 DHCDHN Cc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c([O-])c1 ZINC000877575961 1033367453 /nfs/dbraw/zinc/36/74/53/1033367453.db2.gz GBYNLMZNVPJESP-KRWDZBQOSA-N 0 3 317.454 3.756 20 10 DHCDHN COCC1(C2CC2)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877686695 1033412660 /nfs/dbraw/zinc/41/26/60/1033412660.db2.gz UPISIVYBCBXDFI-UHFFFAOYSA-N 0 3 314.473 3.535 20 10 DHCDHN COCc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000151189825 1033426199 /nfs/dbraw/zinc/42/61/99/1033426199.db2.gz ZFJYQPQSWRJJFS-CQSZACIVSA-N 0 3 316.420 3.889 20 10 DHCDHN COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1O ZINC000877755793 1033432933 /nfs/dbraw/zinc/43/29/33/1033432933.db2.gz NBEVRPCMBJNFAY-UONOGXRCSA-N 0 3 315.413 3.778 20 10 DHCDHN COc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1OC(F)F ZINC000877756510 1033435707 /nfs/dbraw/zinc/43/57/07/1033435707.db2.gz OFAKGUCHGFQZTA-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN COc1cccc(CN[C@@H](C)c2ccccc2O)c1OC(F)F ZINC000877756510 1033435719 /nfs/dbraw/zinc/43/57/19/1033435719.db2.gz OFAKGUCHGFQZTA-NSHDSACASA-N 0 3 323.339 3.853 20 10 DHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234021 1033609142 /nfs/dbraw/zinc/60/91/42/1033609142.db2.gz OCLRTZQFWAQTSA-AWEZNQCLSA-N 0 3 314.385 3.754 20 10 DHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234021 1033609145 /nfs/dbraw/zinc/60/91/45/1033609145.db2.gz OCLRTZQFWAQTSA-AWEZNQCLSA-N 0 3 314.385 3.754 20 10 DHCDHN Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648705 1034072419 /nfs/dbraw/zinc/07/24/19/1034072419.db2.gz ACOUVWDFZWHWDL-HUUCEWRRSA-N 0 3 312.413 3.687 20 10 DHCDHN Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000879649740 1034072777 /nfs/dbraw/zinc/07/27/77/1034072777.db2.gz TYXZGDYAPVWLMJ-HUUCEWRRSA-N 0 3 312.413 3.687 20 10 DHCDHN C[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1ccccc1[O-] ZINC000879650083 1034073669 /nfs/dbraw/zinc/07/36/69/1034073669.db2.gz ZXIKPQOUSBAXFV-SNVBAGLBSA-N 0 3 305.761 3.625 20 10 DHCDHN CC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863547997 1034126537 /nfs/dbraw/zinc/12/65/37/1034126537.db2.gz SZDVOEKJWHVARL-CWSCBRNRSA-N 0 3 317.260 3.880 20 10 DHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OC)c(O)c2)cc1 ZINC000178408366 1034233766 /nfs/dbraw/zinc/23/37/66/1034233766.db2.gz ZTRDTVZAJCKNEY-AWEZNQCLSA-N 0 3 314.429 3.708 20 10 DHCDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000183372018 1034380218 /nfs/dbraw/zinc/38/02/18/1034380218.db2.gz YZTKQWFAZJZKGB-GDBMZVCRSA-N 0 3 316.470 3.941 20 10 DHCDHN COc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1[O-])O[C@H](C)C2 ZINC000183406910 1034382965 /nfs/dbraw/zinc/38/29/65/1034382965.db2.gz BYPVVUVEMDBTGV-OLZOCXBDSA-N 0 3 313.397 3.575 20 10 DHCDHN CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183516969 1034395040 /nfs/dbraw/zinc/39/50/40/1034395040.db2.gz XPWIOXBGPSKREO-IFXJQAMLSA-N 0 3 315.413 3.564 20 10 DHCDHN COC[C@H](N[C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000183644602 1034406255 /nfs/dbraw/zinc/40/62/55/1034406255.db2.gz YVVTZHDULPZLMR-ZBEGNZNMSA-N 0 3 307.340 3.709 20 10 DHCDHN CC[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794801915 1034472201 /nfs/dbraw/zinc/47/22/01/1034472201.db2.gz BROQKXODKRHRDJ-OAHLLOKOSA-N 0 3 322.449 3.608 20 10 DHCDHN CC[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802685 1034473584 /nfs/dbraw/zinc/47/35/84/1034473584.db2.gz OCYTUCJYACALFT-YJBOKZPZSA-N 0 3 311.425 3.993 20 10 DHCDHN CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794805555 1034491344 /nfs/dbraw/zinc/49/13/44/1034491344.db2.gz XEUYIGMGNXGYHW-UGSOOPFHSA-N 0 3 315.461 3.723 20 10 DHCDHN CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1ccc(C)cc1[O-] ZINC000794813102 1034518938 /nfs/dbraw/zinc/51/89/38/1034518938.db2.gz BXTNLSJNXKDJTC-GJZGRUSLSA-N 0 3 305.443 3.845 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c([O-])c1 ZINC000185093963 1034526654 /nfs/dbraw/zinc/52/66/54/1034526654.db2.gz RCGPDSWJFOXJQL-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN CCCOc1ncccc1CN[C@H](C)c1cc(F)ccc1O ZINC000185143488 1034531305 /nfs/dbraw/zinc/53/13/05/1034531305.db2.gz AZIADEUHMRUMTF-GFCCVEGCSA-N 0 3 304.365 3.566 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccc(C)cc1[O-] ZINC000794817606 1034539745 /nfs/dbraw/zinc/53/97/45/1034539745.db2.gz UJCGWNJVZIMIOS-IAGOWNOFSA-N 0 3 315.461 3.915 20 10 DHCDHN CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794819684 1034542705 /nfs/dbraw/zinc/54/27/05/1034542705.db2.gz XHKFVMIBIXSLMA-UYAOXDASSA-N 0 3 311.425 3.575 20 10 DHCDHN C[C@@H](NCc1cccnc1F)c1cc2c(cc1O)CCCC2 ZINC000794831934 1034559135 /nfs/dbraw/zinc/55/91/35/1034559135.db2.gz ADOWZNGPLOWPAL-GFCCVEGCSA-N 0 3 300.377 3.656 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c([O-])c1 ZINC000185738428 1034570884 /nfs/dbraw/zinc/57/08/84/1034570884.db2.gz RBVUXWGGPDDXAR-RYRKJORJSA-N 0 3 313.441 3.906 20 10 DHCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000186009488 1034593220 /nfs/dbraw/zinc/59/32/20/1034593220.db2.gz DJCJOLDBFWMPHX-ZBEGNZNMSA-N 0 3 317.360 3.714 20 10 DHCDHN CCN(CC)c1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000120488017 1034593428 /nfs/dbraw/zinc/59/34/28/1034593428.db2.gz DLOUHYAFWFYLDH-UHFFFAOYSA-N 0 3 302.393 3.667 20 10 DHCDHN C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000186010650 1034593984 /nfs/dbraw/zinc/59/39/84/1034593984.db2.gz ZOJGSVCXVXHYAS-BONVTDFDSA-N 0 3 305.324 3.845 20 10 DHCDHN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186075486 1034596919 /nfs/dbraw/zinc/59/69/19/1034596919.db2.gz YEEFJOQIKIHUHI-KGLIPLIRSA-N 0 3 305.462 3.719 20 10 DHCDHN COc1ccc(O)c([C@H](C)NC2(c3cccc(F)c3)CC2)c1 ZINC000186321604 1034617762 /nfs/dbraw/zinc/61/77/62/1034617762.db2.gz VKBFOTNOCLDCFH-LBPRGKRZSA-N 0 3 301.361 3.880 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c([O-])c1 ZINC000186521418 1034639206 /nfs/dbraw/zinc/63/92/06/1034639206.db2.gz KAPXRQCSNDGLTR-OAHLLOKOSA-N 0 3 321.424 3.952 20 10 DHCDHN C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001175426890 1034978346 /nfs/dbraw/zinc/97/83/46/1034978346.db2.gz LMDCOGDUASSQPV-JTQLQIEISA-N 0 3 306.749 3.805 20 10 DHCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c(Cl)c1 ZINC001177441437 1035372553 /nfs/dbraw/zinc/37/25/53/1035372553.db2.gz ATUXQOSQDJXROU-UGSOOPFHSA-N 0 3 324.896 3.954 20 10 DHCDHN CCN(C)c1ccc(CN(CCOC)Cc2cccs2)cc1 ZINC000773733815 1035417764 /nfs/dbraw/zinc/41/77/64/1035417764.db2.gz NFMCOMITFCWINL-UHFFFAOYSA-N 0 3 318.486 3.853 20 10 DHCDHN CC[C@@H](NCc1ccc(N(C)CC)cc1)c1c(C)nn(C)c1C ZINC000773833432 1035512151 /nfs/dbraw/zinc/51/21/51/1035512151.db2.gz DDMJNTTWBRQDDA-GOSISDBHSA-N 0 3 314.477 3.734 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001181085936 1035824496 /nfs/dbraw/zinc/82/44/96/1035824496.db2.gz HZRSXKXDCWTJHU-AEFFLSMTSA-N 0 3 301.361 3.541 20 10 DHCDHN Cc1ccc(CN(C)Cc2cc(Br)cc(C)c2O)o1 ZINC000775642250 1036157897 /nfs/dbraw/zinc/15/78/97/1036157897.db2.gz IQIXKXCHRUQWFP-UHFFFAOYSA-N 0 3 324.218 3.997 20 10 DHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000775725675 1036562162 /nfs/dbraw/zinc/56/21/62/1036562162.db2.gz LHJBTVDYIFIMHQ-GFCCVEGCSA-N 0 3 310.235 3.695 20 10 DHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000775725675 1036562175 /nfs/dbraw/zinc/56/21/75/1036562175.db2.gz LHJBTVDYIFIMHQ-GFCCVEGCSA-N 0 3 310.235 3.695 20 10 DHCDHN Cc1csc2nc(C)c(C[NH2+][C@@H](C)c3ccccc3[O-])n12 ZINC001183362329 1036569686 /nfs/dbraw/zinc/56/96/86/1036569686.db2.gz AVNBHTRMTULVLD-NSHDSACASA-N 0 3 301.415 3.569 20 10 DHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)c([O-])c1 ZINC001183378823 1036590396 /nfs/dbraw/zinc/59/03/96/1036590396.db2.gz FOJHSNOLKGMDEP-FQEVSTJZSA-N 0 3 324.468 3.845 20 10 DHCDHN Cc1cc([O-])c(C[NH2+]CC2(N(C)C)CCCCC2)c(Cl)c1 ZINC001198907945 1037169228 /nfs/dbraw/zinc/16/92/28/1037169228.db2.gz KDHAOWZQODKXQW-UHFFFAOYSA-N 0 3 310.869 3.708 20 10 DHCDHN COc1ccc(CNCc2ccc(N3CCCC3)cc2)cc1F ZINC001199077368 1037196327 /nfs/dbraw/zinc/19/63/27/1037196327.db2.gz FKSJPUATHYGURM-UHFFFAOYSA-N 0 3 314.404 3.724 20 10 DHCDHN Cc1occc1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776038080 1037398246 /nfs/dbraw/zinc/39/82/46/1037398246.db2.gz CNWODYHPYINXMY-UHFFFAOYSA-N 0 3 310.191 3.654 20 10 DHCDHN Cc1occc1CNCc1cc(Br)cc(C)c1O ZINC000776038080 1037398257 /nfs/dbraw/zinc/39/82/57/1037398257.db2.gz CNWODYHPYINXMY-UHFFFAOYSA-N 0 3 310.191 3.654 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@](C)(CO)C2CCCCC2)c1[O-] ZINC000776208303 1037887531 /nfs/dbraw/zinc/88/75/31/1037887531.db2.gz XECRRJVSZZOWTH-QGZVFWFLSA-N 0 3 311.853 3.775 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000776224788 1037930006 /nfs/dbraw/zinc/93/00/06/1037930006.db2.gz VZMYREBSEFJSAX-FVQBIDKESA-N 0 3 309.837 3.647 20 10 DHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000776224794 1037930869 /nfs/dbraw/zinc/93/08/69/1037930869.db2.gz VZMYREBSEFJSAX-NUEKZKHPSA-N 0 3 309.837 3.647 20 10 DHCDHN Cc1ccc2ncc(CN[C@H](C)c3ccc(N(C)C)cc3)n2c1 ZINC000775361200 1038273238 /nfs/dbraw/zinc/27/32/38/1038273238.db2.gz BEWJHVHMEVXQKY-OAHLLOKOSA-N 0 3 308.429 3.560 20 10 DHCDHN CCn1nccc1C[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000156779689 1038284867 /nfs/dbraw/zinc/28/48/67/1038284867.db2.gz XBTZKWOOTRHNQO-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CCn1nccc1C[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000156779689 1038284872 /nfs/dbraw/zinc/28/48/72/1038284872.db2.gz XBTZKWOOTRHNQO-UHFFFAOYSA-N 0 3 313.445 3.944 20 10 DHCDHN CC[C@H]([NH2+]CCCOc1ccccc1OC)c1ccccc1[O-] ZINC000775497752 1038581078 /nfs/dbraw/zinc/58/10/78/1038581078.db2.gz DSYSLBDWKKFHBV-INIZCTEOSA-N 0 3 315.413 3.911 20 10 DHCDHN CC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000775511322 1038604754 /nfs/dbraw/zinc/60/47/54/1038604754.db2.gz DJXQDZROKZPOBP-SFHVURJKSA-N 0 3 316.420 3.704 20 10 DHCDHN CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775520046 1038621365 /nfs/dbraw/zinc/62/13/65/1038621365.db2.gz PGBWJJVEYAXLIB-MRXNPFEDSA-N 0 3 310.869 3.959 20 10 DHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(-c3ccccc3)o2)c1 ZINC001192781328 1038699317 /nfs/dbraw/zinc/69/93/17/1038699317.db2.gz UVYKHYHYPPOCPO-CYBMUJFWSA-N 0 3 324.380 3.907 20 10 DHCDHN Cc1ccc([C@@H](C)NCc2nn(C)c3ccccc23)c(O)c1C ZINC000760898137 1039036786 /nfs/dbraw/zinc/03/67/86/1039036786.db2.gz OTAAZKQLSPHFSS-CQSZACIVSA-N 0 3 309.413 3.747 20 10 DHCDHN CCN(CCC[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000228792576 1041178284 /nfs/dbraw/zinc/17/82/84/1041178284.db2.gz KTGLHLAQGUGKHT-AWEZNQCLSA-N 0 3 322.449 3.690 20 10 DHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c([O-])c1C ZINC000273297217 130104199 /nfs/dbraw/zinc/10/41/99/130104199.db2.gz AIKJDBBRBVOQRO-GUYCJALGSA-N 0 3 303.377 3.532 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273367321 130113115 /nfs/dbraw/zinc/11/31/15/130113115.db2.gz FIXGKVIYDVTOQC-INIZCTEOSA-N 0 3 321.424 3.796 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000273484308 130126308 /nfs/dbraw/zinc/12/63/08/130126308.db2.gz MWHXYMNWVKMHOS-BDJLRTHQSA-N 0 3 323.795 3.877 20 10 DHCDHN C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(F)ccc1[O-] ZINC000273507105 130131164 /nfs/dbraw/zinc/13/11/64/130131164.db2.gz RDICXUDTOXUMJB-LBPRGKRZSA-N 0 3 317.360 3.543 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c([O-])c1C ZINC000273558538 130136570 /nfs/dbraw/zinc/13/65/70/130136570.db2.gz HMVFTOZYMAXFMQ-CMPLNLGQSA-N 0 3 305.340 3.627 20 10 DHCDHN COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CCO2 ZINC000274330752 130227165 /nfs/dbraw/zinc/22/71/65/130227165.db2.gz ATFJGSJLOARJHC-ZBEGNZNMSA-N 0 3 317.360 3.714 20 10 DHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000274916805 130272941 /nfs/dbraw/zinc/27/29/41/130272941.db2.gz OLDSHYQZOUOQNA-GDBMZVCRSA-N 0 3 323.795 3.959 20 10 DHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c([O-])c1 ZINC000284069367 131045867 /nfs/dbraw/zinc/04/58/67/131045867.db2.gz LEVCVHYVOZVHME-CXAGYDPISA-N 0 3 305.443 3.629 20 10 DHCDHN C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000287111460 131264478 /nfs/dbraw/zinc/26/44/78/131264478.db2.gz QPSIZIAAEJNKID-YVEFUNNKSA-N 0 3 320.383 3.624 20 10 DHCDHN Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293708842 131761477 /nfs/dbraw/zinc/76/14/77/131761477.db2.gz LVNCOFJNXFUGAE-HIFRSBDPSA-N 0 3 301.434 3.501 20 10 DHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)CC2 ZINC000297355712 132012359 /nfs/dbraw/zinc/01/23/59/132012359.db2.gz PLCMAONXKCOBKB-ZDUSSCGKSA-N 0 3 322.330 3.626 20 10 DHCDHN Cc1csc(CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000297875501 132038583 /nfs/dbraw/zinc/03/85/83/132038583.db2.gz UTWRZDAOTGIHEB-CQSZACIVSA-N 0 3 302.443 3.757 20 10 DHCDHN Cc1nn(C)c(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299541477 132110075 /nfs/dbraw/zinc/11/00/75/132110075.db2.gz AEHAAGRZIVAORS-UHFFFAOYSA-N 0 3 314.477 3.514 20 10 DHCDHN Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000176981892 332966474 /nfs/dbraw/zinc/96/64/74/332966474.db2.gz NLZWREZAWJTYKB-GFCCVEGCSA-N 0 3 313.376 3.540 20 10 DHCDHN Cc1ccc([O-])c(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293955882 335116139 /nfs/dbraw/zinc/11/61/39/335116139.db2.gz PLOHXCXKOIYOAH-LJQANCHMSA-N 0 3 311.425 3.694 20 10 DHCDHN CCCOc1ccc(CN[C@H](C)c2cc(C)ccc2O)cn1 ZINC000185397800 333208229 /nfs/dbraw/zinc/20/82/29/333208229.db2.gz HIPIMKGOAZHPLC-CQSZACIVSA-N 0 3 300.402 3.735 20 10 DHCDHN CCCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cn1 ZINC000185397800 333208231 /nfs/dbraw/zinc/20/82/31/333208231.db2.gz HIPIMKGOAZHPLC-CQSZACIVSA-N 0 3 300.402 3.735 20 10 DHCDHN COCc1cc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])ccc1F ZINC000185495502 333209304 /nfs/dbraw/zinc/20/93/04/333209304.db2.gz IVLJRHPYDIZTTF-CYBMUJFWSA-N 0 3 303.377 3.837 20 10 DHCDHN COc1cccc(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)c1[O-] ZINC000296042277 335140802 /nfs/dbraw/zinc/14/08/02/335140802.db2.gz OCCYZBOOTIJGOY-NSHDSACASA-N 0 3 307.340 3.572 20 10 DHCDHN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C ZINC000296691355 335147615 /nfs/dbraw/zinc/14/76/15/335147615.db2.gz JVQQKNSCIGDJCV-AWEZNQCLSA-N 0 3 313.401 3.820 20 10 DHCDHN CC[C@H](NCc1nc(C)n2c1CCCC2)c1ccc(C)cc1O ZINC000366881346 335280005 /nfs/dbraw/zinc/28/00/05/335280005.db2.gz RLLJRHOOUSDDAX-INIZCTEOSA-N 0 3 313.445 3.783 20 10 DHCDHN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C)c1ccccc1[O-] ZINC000360709354 336719859 /nfs/dbraw/zinc/71/98/59/336719859.db2.gz CJEWONZNIJAEOX-QMIHWGKISA-N 0 3 310.441 3.661 20 10 DHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000367955512 336833023 /nfs/dbraw/zinc/83/30/23/336833023.db2.gz IVSLRYUOTLLNQR-AEFFLSMTSA-N 0 3 301.361 3.541 20 10 DHCDHN COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000371869299 336915138 /nfs/dbraw/zinc/91/51/38/336915138.db2.gz GCHYDGJDBBQCNR-BZNIZROVSA-N 0 3 317.360 3.714 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375256592 337006642 /nfs/dbraw/zinc/00/66/42/337006642.db2.gz SUJQRTGGXMKBLT-UYAOXDASSA-N 0 3 309.409 3.975 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375256592 337006643 /nfs/dbraw/zinc/00/66/43/337006643.db2.gz SUJQRTGGXMKBLT-UYAOXDASSA-N 0 3 309.409 3.975 20 10 DHCDHN CC[C@H](c1ccccc1O)N1CCc2cnc(C(C)C)nc2C1 ZINC000375343951 337008524 /nfs/dbraw/zinc/00/85/24/337008524.db2.gz ZYODFCFYINNICQ-QGZVFWFLSA-N 0 3 311.429 3.815 20 10 DHCDHN Cc1c([C@@H](C)NCc2ccc3c(c2)CCN3C)cnn1C(C)C ZINC000376958142 337044253 /nfs/dbraw/zinc/04/42/53/337044253.db2.gz NVDRHNHJQYVMRV-CQSZACIVSA-N 0 3 312.461 3.616 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c([O-])c1 ZINC000377348177 337050889 /nfs/dbraw/zinc/05/08/89/337050889.db2.gz WJFZXPBRMUBLRG-ZBFHGGJFSA-N 0 3 313.445 3.686 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c([O-])c1 ZINC000377348171 337050951 /nfs/dbraw/zinc/05/09/51/337050951.db2.gz WJFZXPBRMUBLRG-GDBMZVCRSA-N 0 3 313.445 3.686 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000377697534 337059070 /nfs/dbraw/zinc/05/90/70/337059070.db2.gz NPQSZUCXRLMYQA-SZVBFZGTSA-N 0 3 319.445 3.503 20 10 DHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000377697534 337059071 /nfs/dbraw/zinc/05/90/71/337059071.db2.gz NPQSZUCXRLMYQA-SZVBFZGTSA-N 0 3 319.445 3.503 20 10 DHCDHN C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccccc1[O-] ZINC000378617005 337076819 /nfs/dbraw/zinc/07/68/19/337076819.db2.gz AESTWOZWRSQHMS-CQSZACIVSA-N 0 3 307.397 3.644 20 10 DHCDHN COc1cccc(C[NH2+]C[C@@H]2C[C@@]2(C)c2cccs2)c1[O-] ZINC000360091365 337085228 /nfs/dbraw/zinc/08/52/28/337085228.db2.gz CHRGRESGAMAIFT-SUMWQHHRSA-N 0 3 303.427 3.530 20 10 DHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1[O-] ZINC000183559703 337192351 /nfs/dbraw/zinc/19/23/51/337192351.db2.gz BOFTZZAABMILBJ-LSDHHAIUSA-N 0 3 307.397 3.990 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1cc(F)ccc1[O-] ZINC000186176373 337254206 /nfs/dbraw/zinc/25/42/06/337254206.db2.gz BMQRSHYFOAQEBT-MKBNYLNASA-N 0 3 301.361 3.747 20 10 DHCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189380277 337279038 /nfs/dbraw/zinc/27/90/38/337279038.db2.gz KTMLZRWFHAABMU-CXAGYDPISA-N 0 3 313.397 3.884 20 10 DHCDHN C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1cc(F)ccc1[O-] ZINC000248481850 337565549 /nfs/dbraw/zinc/56/55/49/337565549.db2.gz BMQRSHYFOAQEBT-MQIPJXDCSA-N 0 3 301.361 3.747 20 10 DHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248487116 337565602 /nfs/dbraw/zinc/56/56/02/337565602.db2.gz FZRQREJQATUFLP-LBTBCDHLSA-N 0 3 301.430 3.699 20 10 DHCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c([O-])c1 ZINC000527964229 337780630 /nfs/dbraw/zinc/78/06/30/337780630.db2.gz UNGNMMITVUQEBH-AWEZNQCLSA-N 0 3 309.413 3.747 20 10 DHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c([O-])c1C ZINC000527967272 337781132 /nfs/dbraw/zinc/78/11/32/337781132.db2.gz XOFBWTPPHLTVBT-CQSZACIVSA-N 0 3 309.413 3.747 20 10 DHCDHN COc1ccc([C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C2CC2)cn1 ZINC000528041980 337785391 /nfs/dbraw/zinc/78/53/91/337785391.db2.gz BVIOEQJWISORRD-BEFAXECRSA-N 0 3 310.397 3.524 20 10 DHCDHN CCOc1cccc(CN[C@H](C)c2cc(F)ccc2OC)c1O ZINC000236960861 340666790 /nfs/dbraw/zinc/66/67/90/340666790.db2.gz MACYTOJISFUFGQ-GFCCVEGCSA-N 0 3 319.376 3.789 20 10 DHCDHN Cc1n[nH]c(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000271063459 518192210 /nfs/dbraw/zinc/19/22/10/518192210.db2.gz HWQSNQQMGXNYDV-UHFFFAOYSA-N 0 3 300.450 3.503 20 10 DHCDHN CCN(C)c1ccc([C@H](C)N[C@H](CCO)c2ccccc2)cc1 ZINC000160975294 520290628 /nfs/dbraw/zinc/29/06/28/520290628.db2.gz CQFFPMPEPYNLHX-OXJNMPFZSA-N 0 3 312.457 3.917 20 10 DHCDHN CCCOc1ccc(C[NH2+]Cc2ccccc2N(C)C)c([O-])c1 ZINC000265854472 520368668 /nfs/dbraw/zinc/36/86/68/520368668.db2.gz KSWWRRGDUXNJAJ-UHFFFAOYSA-N 0 3 314.429 3.537 20 10 DHCDHN CCOc1ccc([O-])c(C[NH2+]Cc2cccc(CSC)c2)c1 ZINC000189482259 521152541 /nfs/dbraw/zinc/15/25/41/521152541.db2.gz HLHDCMFTFMFKCN-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CCOc1ccc(O)c(CNCc2cccc(CSC)c2)c1 ZINC000189482259 521152553 /nfs/dbraw/zinc/15/25/53/521152553.db2.gz HLHDCMFTFMFKCN-UHFFFAOYSA-N 0 3 317.454 3.944 20 10 DHCDHN CCOc1cccc(CNCc2ccc(Cl)cc2F)c1O ZINC000189195091 521368715 /nfs/dbraw/zinc/36/87/15/521368715.db2.gz KVFXWLBHMGBNPQ-UHFFFAOYSA-N 0 3 309.768 3.873 20 10 DHCDHN COc1cc(O)c(CN(Cc2ccccc2)C2CC2)cc1OC ZINC000159652440 522773475 /nfs/dbraw/zinc/77/34/75/522773475.db2.gz FBFBSMVHNMEBNR-UHFFFAOYSA-N 0 3 313.397 3.574 20 10 DHCDHN CC[C@@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000155865537 522936355 /nfs/dbraw/zinc/93/63/55/522936355.db2.gz FQUJIFFMWYXOOK-NJAPINKUSA-N 0 3 303.377 3.694 20 10 DHCDHN Cc1cccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000180471797 524403652 /nfs/dbraw/zinc/40/36/52/524403652.db2.gz ULZZCGOPXCBEHB-GOSISDBHSA-N 0 3 311.425 3.739 20 10 DHCDHN Cc1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000180471797 524403663 /nfs/dbraw/zinc/40/36/63/524403663.db2.gz ULZZCGOPXCBEHB-GOSISDBHSA-N 0 3 311.425 3.739 20 10 DHCDHN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000157503765 525444508 /nfs/dbraw/zinc/44/45/08/525444508.db2.gz ZJHFBCLLEKGAQL-INIZCTEOSA-N 0 3 312.461 3.507 20 10 DHCDHN C[C@@H](NCCOCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000188758980 525454062 /nfs/dbraw/zinc/45/40/62/525454062.db2.gz URACGBSXXDDYCS-CQSZACIVSA-N 0 3 312.404 3.609 20 10 DHCDHN C[C@@H](O)[C@@](C)(C[NH2+][C@H](C)c1ccccc1[O-])Cc1ccccc1 ZINC000188914656 525855306 /nfs/dbraw/zinc/85/53/06/525855306.db2.gz CBZPGFPFLCVYDZ-JXXFODFXSA-N 0 3 313.441 3.673 20 10 DHCDHN Cc1nc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c2n1CCCC2 ZINC000364910317 526890945 /nfs/dbraw/zinc/89/09/45/526890945.db2.gz YZQDNRHZSUEBOU-NSHDSACASA-N 0 3 319.836 3.738 20 10 DHCDHN Cc1nc(CN[C@@H](C)c2cc(Cl)ccc2O)c2n1CCCC2 ZINC000364910317 526890949 /nfs/dbraw/zinc/89/09/49/526890949.db2.gz YZQDNRHZSUEBOU-NSHDSACASA-N 0 3 319.836 3.738 20 10 DHCDHN