smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc(C[NH2+]C2CCC2)c1[O-] ZINC000271840992 178064313 /nfs/dbraw/zinc/06/43/13/178064313.db2.gz GRZQSEHCZIOQCX-UHFFFAOYSA-N 0 3 225.719 2.996 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCSCC1)CC2 ZINC000296763312 398190616 /nfs/dbraw/zinc/19/06/16/398190616.db2.gz KEUVTMOIZNEXEB-GFCCVEGCSA-N 0 3 249.379 2.865 20 10 BFCDHN C[C@@H](CCCCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296252035 398209405 /nfs/dbraw/zinc/20/94/05/398209405.db2.gz CXZCRDJTFWEMKQ-WCQYABFASA-N 0 3 249.354 2.520 20 10 BFCDHN Cc1cc(O)c(CN2CCC[C@H]2CF)cc1C ZINC000293933767 178194730 /nfs/dbraw/zinc/19/47/30/178194730.db2.gz HOMXMZQBCCBIOY-ZDUSSCGKSA-N 0 3 237.318 2.943 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C)cc1C ZINC000173529210 178195509 /nfs/dbraw/zinc/19/55/09/178195509.db2.gz ONOZJGCXSYXOHC-LBPRGKRZSA-N 0 3 219.328 2.993 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C)cc1C ZINC000173529210 178195510 /nfs/dbraw/zinc/19/55/10/178195510.db2.gz ONOZJGCXSYXOHC-LBPRGKRZSA-N 0 3 219.328 2.993 20 10 BFCDHN Cc1cc(O)c(CN(C(C)C)C2COC2)cc1C ZINC000296023761 178195908 /nfs/dbraw/zinc/19/59/08/178195908.db2.gz MQGMFAGTXVJEHQ-UHFFFAOYSA-N 0 3 249.354 2.618 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C)C2)cc1C ZINC000271307831 178196617 /nfs/dbraw/zinc/19/66/17/178196617.db2.gz WATLPLHEXUIJFG-OCCSQVGLSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCSC2)cc1C ZINC000266124240 178197680 /nfs/dbraw/zinc/19/76/80/178197680.db2.gz AZJLYJDGASSVRW-LBPRGKRZSA-N 0 3 237.368 2.604 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1[O-] ZINC000035733335 342892290 /nfs/dbraw/zinc/89/22/90/342892290.db2.gz KQCOTRDNGRTBAZ-VHSXEESVSA-N 0 3 205.301 2.841 20 10 BFCDHN CCOc1cccc(C[NH2+]C2CCCC2)c1[O-] ZINC000019883451 342961130 /nfs/dbraw/zinc/96/11/30/342961130.db2.gz DZNKWKFJUFXURO-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN CC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019882429 342961327 /nfs/dbraw/zinc/96/13/27/342961327.db2.gz GKLQYRWDHCHDHX-ZJUUUORDSA-N 0 3 223.316 2.850 20 10 BFCDHN CCCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020086805 342968833 /nfs/dbraw/zinc/96/88/33/342968833.db2.gz UHZDOKBFZZIIFJ-UHFFFAOYSA-N 0 3 223.316 2.681 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1[O-] ZINC000019963757 342965194 /nfs/dbraw/zinc/96/51/94/342965194.db2.gz VVKCTSWDFUDJKJ-AAEUAGOBSA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCSC(C)C)c1 ZINC000290206216 187240507 /nfs/dbraw/zinc/24/05/07/187240507.db2.gz VGBHDWBNZLISSM-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN CC[C@H]([NH2+]C[C@H](C)COC)c1ccccc1[O-] ZINC000045656078 343531887 /nfs/dbraw/zinc/53/18/87/343531887.db2.gz GSNPDPXKTPKAGT-AAEUAGOBSA-N 0 3 237.343 2.715 20 10 BFCDHN COC[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000045657299 343532564 /nfs/dbraw/zinc/53/25/64/343532564.db2.gz XEINJWIJBWXEKB-NEPJUHHUSA-N 0 3 237.343 2.634 20 10 BFCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])CC1CC1 ZINC000180148940 347015300 /nfs/dbraw/zinc/01/53/00/347015300.db2.gz VQJLNLJWNCDQQT-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CC[N@H+](Cc1cc(F)ccc1[O-])CC1CC1 ZINC000180148940 347015303 /nfs/dbraw/zinc/01/53/03/347015303.db2.gz VQJLNLJWNCDQQT-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CC(C)[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000132618216 187286736 /nfs/dbraw/zinc/28/67/36/187286736.db2.gz HSSJGPGZZGWHQW-NSHDSACASA-N 0 3 207.317 2.869 20 10 BFCDHN CC(C)[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000132618216 187286737 /nfs/dbraw/zinc/28/67/37/187286737.db2.gz HSSJGPGZZGWHQW-NSHDSACASA-N 0 3 207.317 2.869 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])CC(C)C ZINC000132532988 344303671 /nfs/dbraw/zinc/30/36/71/344303671.db2.gz BDSBHEOSHHNNGP-UHFFFAOYSA-N 0 3 207.317 2.870 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])CC(C)C ZINC000132532988 344303672 /nfs/dbraw/zinc/30/36/72/344303672.db2.gz BDSBHEOSHHNNGP-UHFFFAOYSA-N 0 3 207.317 2.870 20 10 BFCDHN CC[N@H+](Cc1cccc(OC)c1[O-])C(C)C ZINC000132570284 345336226 /nfs/dbraw/zinc/33/62/26/345336226.db2.gz HXWJCOUIJKUDFZ-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C(C)C ZINC000132570284 345336228 /nfs/dbraw/zinc/33/62/28/345336228.db2.gz HXWJCOUIJKUDFZ-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOCC2)c([O-])c1 ZINC000186234708 178848164 /nfs/dbraw/zinc/84/81/64/178848164.db2.gz ZCGAKOZXAIQOLB-CHWSQXEVSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2=CCCOC2)c([O-])c1 ZINC000287208156 178888788 /nfs/dbraw/zinc/88/87/88/178888788.db2.gz WTTCELBDQYIGEP-LBPRGKRZSA-N 0 3 247.338 2.698 20 10 BFCDHN Cc1cccc(C[N@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC000124569480 179066980 /nfs/dbraw/zinc/06/69/80/179066980.db2.gz VGXADUDSFBAOHB-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(C[N@@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC000124569480 179066981 /nfs/dbraw/zinc/06/69/81/179066981.db2.gz VGXADUDSFBAOHB-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)CCO)c1ccc(C)cc1[O-] ZINC000280121782 351834230 /nfs/dbraw/zinc/83/42/30/351834230.db2.gz OHHIZXRIBRRMLA-WCQYABFASA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccccc1[O-] ZINC000290265515 352217658 /nfs/dbraw/zinc/21/76/58/352217658.db2.gz VRPYIVCUWVQGTP-NTZNESFSSA-N 0 3 237.343 2.856 20 10 BFCDHN CC[C@@H]([NH2+][C@H](COC)C1CC1)c1ccccc1[O-] ZINC000156854172 352583038 /nfs/dbraw/zinc/58/30/38/352583038.db2.gz JPEYRQYPASFDFM-ZIAGYGMSSA-N 0 3 249.354 2.858 20 10 BFCDHN CCC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000230651758 363315947 /nfs/dbraw/zinc/31/59/47/363315947.db2.gz DTLSZBWVYWJOTQ-UHFFFAOYSA-N 0 3 207.317 2.918 20 10 BFCDHN CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168827010 357260955 /nfs/dbraw/zinc/26/09/55/357260955.db2.gz DIXDLNKNISXQDR-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCOCC1)CC2 ZINC000296648366 364784926 /nfs/dbraw/zinc/78/49/26/364784926.db2.gz DGJKKTXDUJJYMX-OLZOCXBDSA-N 0 3 247.338 2.538 20 10 BFCDHN [O-]c1ccccc1C[N@@H+](CCO)C1CCCCC1 ZINC000267162650 183070790 /nfs/dbraw/zinc/07/07/90/183070790.db2.gz QYJHBDUYNCHPBH-UHFFFAOYSA-N 0 3 249.354 2.519 20 10 BFCDHN [O-]c1ccccc1C[N@H+](CCO)C1CCCCC1 ZINC000267162650 183070792 /nfs/dbraw/zinc/07/07/92/183070792.db2.gz QYJHBDUYNCHPBH-UHFFFAOYSA-N 0 3 249.354 2.519 20 10 BFCDHN CCC[N@H+](CC)Cc1cccc(C)c1[O-] ZINC000162804415 169129731 /nfs/dbraw/zinc/12/97/31/169129731.db2.gz OJCQQNXULBUBDW-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCC[N@@H+](CC)Cc1cccc(C)c1[O-] ZINC000162804415 169129732 /nfs/dbraw/zinc/12/97/32/169129732.db2.gz OJCQQNXULBUBDW-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccs1 ZINC000083364718 183274900 /nfs/dbraw/zinc/27/49/00/183274900.db2.gz UAXRNILMWOQXFC-UHFFFAOYSA-N 0 3 237.299 2.883 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C12CCC(CC1)C2 ZINC000366674364 183275028 /nfs/dbraw/zinc/27/50/28/183275028.db2.gz GQCOHPZGCPAZND-UHFFFAOYSA-N 0 3 235.302 2.954 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCSC1)CC2 ZINC000296604477 183298621 /nfs/dbraw/zinc/29/86/21/183298621.db2.gz XZVHXZUJVVARAZ-CMPLNLGQSA-N 0 3 249.379 2.722 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000378492356 183302639 /nfs/dbraw/zinc/30/26/39/183302639.db2.gz GYOZXQRMXKFSOU-CYBMUJFWSA-N 0 3 243.306 2.975 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000378492356 183302641 /nfs/dbraw/zinc/30/26/41/183302641.db2.gz GYOZXQRMXKFSOU-CYBMUJFWSA-N 0 3 243.306 2.975 20 10 BFCDHN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000168770018 169518316 /nfs/dbraw/zinc/51/83/16/169518316.db2.gz UBBVBJWRRSSREL-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN C[C@H]([NH2+]CCc1cccnc1)c1ccccc1[O-] ZINC000037717712 384000220 /nfs/dbraw/zinc/00/02/20/384000220.db2.gz KMQBCCOQVZHKDQ-LBPRGKRZSA-N 0 3 242.322 2.681 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC2CCC2)c1 ZINC000070955136 383971698 /nfs/dbraw/zinc/97/16/98/383971698.db2.gz RCTGTPIBNMPEBP-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296596501 384195146 /nfs/dbraw/zinc/19/51/46/384195146.db2.gz VIFZUHFBEOUUOE-YPMHNXCESA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@@H](C)C[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132088922 384213713 /nfs/dbraw/zinc/21/37/13/384213713.db2.gz APARGWMHEFCSFC-LLVKDONJSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@@H](C)C[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132088922 384213718 /nfs/dbraw/zinc/21/37/18/384213718.db2.gz APARGWMHEFCSFC-LLVKDONJSA-N 0 3 237.343 2.879 20 10 BFCDHN COC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093337999 384229269 /nfs/dbraw/zinc/22/92/69/384229269.db2.gz FQLNXSBHPRLLLF-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093337999 384229272 /nfs/dbraw/zinc/22/92/72/384229272.db2.gz FQLNXSBHPRLLLF-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000042812014 384246926 /nfs/dbraw/zinc/24/69/26/384246926.db2.gz BHTSOAZMXHHWKU-RYUDHWBXSA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042815137 384247370 /nfs/dbraw/zinc/24/73/70/384247370.db2.gz CRRXXCCUHCKQHK-OLZOCXBDSA-N 0 3 249.354 2.920 20 10 BFCDHN CCOC[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093839290 384273640 /nfs/dbraw/zinc/27/36/40/384273640.db2.gz MPLODLCPPFPZKQ-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093839290 384273647 /nfs/dbraw/zinc/27/36/47/384273647.db2.gz MPLODLCPPFPZKQ-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000094941733 384319468 /nfs/dbraw/zinc/31/94/68/384319468.db2.gz CLHKUXZWXXGZPO-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000096810802 384480896 /nfs/dbraw/zinc/48/08/96/384480896.db2.gz YCKKGMQEJBCXSG-UHFFFAOYSA-N 0 3 215.296 2.997 20 10 BFCDHN CC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000096810802 384480898 /nfs/dbraw/zinc/48/08/98/384480898.db2.gz YCKKGMQEJBCXSG-UHFFFAOYSA-N 0 3 215.296 2.997 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1[O-] ZINC000019963756 384567463 /nfs/dbraw/zinc/56/74/63/384567463.db2.gz VVKCTSWDFUDJKJ-WCQYABFASA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@H]([NH2+]CCCOCC1CC1)c1ccccc1[O-] ZINC000020190589 384593539 /nfs/dbraw/zinc/59/35/39/384593539.db2.gz MIHSSYKJUVPONF-LBPRGKRZSA-N 0 3 249.354 2.860 20 10 BFCDHN COc1cc(Cl)cc(C[N@H+](C)C2CC2)c1[O-] ZINC000184679425 384636741 /nfs/dbraw/zinc/63/67/41/384636741.db2.gz HWFQZVIJQWGAES-UHFFFAOYSA-N 0 3 241.718 2.648 20 10 BFCDHN COc1cc(Cl)cc(C[N@@H+](C)C2CC2)c1[O-] ZINC000184679425 384636748 /nfs/dbraw/zinc/63/67/48/384636748.db2.gz HWFQZVIJQWGAES-UHFFFAOYSA-N 0 3 241.718 2.648 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000051994294 384706220 /nfs/dbraw/zinc/70/62/20/384706220.db2.gz UYZJSJVUXLEGLI-YUTCNCBUSA-N 0 3 249.354 2.655 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000051992111 384707464 /nfs/dbraw/zinc/70/74/64/384707464.db2.gz WEJSQOCPSZFECS-YDHLFZDLSA-N 0 3 249.354 2.736 20 10 BFCDHN COCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000083941605 384821225 /nfs/dbraw/zinc/82/12/25/384821225.db2.gz IHJPHASCZXEYNS-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000186787035 384878773 /nfs/dbraw/zinc/87/87/73/384878773.db2.gz WEJSQOCPSZFECS-GZBFAFLISA-N 0 3 249.354 2.736 20 10 BFCDHN C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000186426323 384841319 /nfs/dbraw/zinc/84/13/19/384841319.db2.gz QNABVUAATAYMRP-CLDOCUBWSA-N 0 3 249.354 2.760 20 10 BFCDHN C[C@H]([NH2+]C1CCSCC1)c1ccccc1[O-] ZINC000163989055 384893878 /nfs/dbraw/zinc/89/38/78/384893878.db2.gz WDMPMNNCMZLGKZ-JTQLQIEISA-N 0 3 237.368 2.938 20 10 BFCDHN CCC(O)(CC)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000087013879 385065468 /nfs/dbraw/zinc/06/54/68/385065468.db2.gz NLIUAGPTFLYUOA-LLVKDONJSA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000062050923 385151516 /nfs/dbraw/zinc/15/15/16/385151516.db2.gz ZSFBUKOGPKRWFS-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN C[C@H]([NH2+]CCc1nccs1)c1ccccc1[O-] ZINC000063133528 385212732 /nfs/dbraw/zinc/21/27/32/385212732.db2.gz ZXDTYNRXTALGAO-JTQLQIEISA-N 0 3 248.351 2.742 20 10 BFCDHN CC[C@H]([NH2+]C1CCC1)c1ccccc1[O-] ZINC000052207057 385245010 /nfs/dbraw/zinc/24/50/10/385245010.db2.gz AKNMIIGQZRXREQ-LBPRGKRZSA-N 0 3 205.301 2.985 20 10 BFCDHN COc1cc(Cl)cc(C[N@H+](C)C(C)C)c1[O-] ZINC000129945282 385204861 /nfs/dbraw/zinc/20/48/61/385204861.db2.gz UHCCZNIHYIEKPM-UHFFFAOYSA-N 0 3 243.734 2.894 20 10 BFCDHN COc1cc(Cl)cc(C[N@@H+](C)C(C)C)c1[O-] ZINC000129945282 385204868 /nfs/dbraw/zinc/20/48/68/385204868.db2.gz UHCCZNIHYIEKPM-UHFFFAOYSA-N 0 3 243.734 2.894 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000130608511 385267931 /nfs/dbraw/zinc/26/79/31/385267931.db2.gz LZYQJZADDGIRTK-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000130608511 385267939 /nfs/dbraw/zinc/26/79/39/385267939.db2.gz LZYQJZADDGIRTK-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCCCCO)c([O-])c1 ZINC000192927529 385376558 /nfs/dbraw/zinc/37/65/58/385376558.db2.gz WRLHGXBREFBWSA-GFCCVEGCSA-N 0 3 237.343 2.514 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2CC2)c([O-])c1 ZINC000020086258 385413270 /nfs/dbraw/zinc/41/32/70/385413270.db2.gz WZAATFWVWFKCTN-JTQLQIEISA-N 0 3 205.301 2.761 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H]2CCCOC2)c1 ZINC000156029034 385430721 /nfs/dbraw/zinc/43/07/21/385430721.db2.gz LBFPUAXWEOCTKE-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCCOC2)c1 ZINC000156029034 385430725 /nfs/dbraw/zinc/43/07/25/385430725.db2.gz LBFPUAXWEOCTKE-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000156102674 385436705 /nfs/dbraw/zinc/43/67/05/385436705.db2.gz IPOGSBGGQQEDFZ-STQMWFEESA-N 0 3 231.339 2.933 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272827758 385475852 /nfs/dbraw/zinc/47/58/52/385475852.db2.gz HBQISUXOPIGBMH-JHJVBQTASA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1[O-] ZINC000283420577 385657710 /nfs/dbraw/zinc/65/77/10/385657710.db2.gz RONQXHWFCVVJQQ-BXKDBHETSA-N 0 3 237.368 2.937 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])[C@@H](C)C1 ZINC000282226418 385743747 /nfs/dbraw/zinc/74/37/47/385743747.db2.gz IINGUZVBHYRTFZ-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])[C@@H](C)C1 ZINC000282226418 385743750 /nfs/dbraw/zinc/74/37/50/385743750.db2.gz IINGUZVBHYRTFZ-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOCC2)c([O-])c1 ZINC000186234725 385748700 /nfs/dbraw/zinc/74/87/00/385748700.db2.gz ZCGAKOZXAIQOLB-QWHCGFSZSA-N 0 3 249.354 2.920 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+](C)CC(C)C)c1 ZINC000271063753 385780987 /nfs/dbraw/zinc/78/09/87/385780987.db2.gz ZAAZNXRCUZGHJE-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+](C)CC(C)C)c1 ZINC000271063753 385780993 /nfs/dbraw/zinc/78/09/93/385780993.db2.gz ZAAZNXRCUZGHJE-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000285120904 385900698 /nfs/dbraw/zinc/90/06/98/385900698.db2.gz LBUMYDXHUGJMRB-CHWSQXEVSA-N 0 3 249.354 2.839 20 10 BFCDHN CCC1([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296319288 386161043 /nfs/dbraw/zinc/16/10/43/386161043.db2.gz GSMNUTIJWWTMBG-NSHDSACASA-N 0 3 217.312 2.912 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)C2CC2)c1 ZINC000236849299 386317532 /nfs/dbraw/zinc/31/75/32/386317532.db2.gz BPYWHUBRQOEAGV-SNVBAGLBSA-N 0 3 235.327 2.679 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000274773892 386411555 /nfs/dbraw/zinc/41/15/55/386411555.db2.gz ILODLYXYUOFSOH-NSHDSACASA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000228044894 386535884 /nfs/dbraw/zinc/53/58/84/386535884.db2.gz ZPZKUAXDRVFORO-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@H]2CC)c1[O-] ZINC000292876446 386743204 /nfs/dbraw/zinc/74/32/04/386743204.db2.gz XAEGDYLOAYIKCY-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@H]2CC)c1[O-] ZINC000292876446 386743209 /nfs/dbraw/zinc/74/32/09/386743209.db2.gz XAEGDYLOAYIKCY-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000527802559 387724293 /nfs/dbraw/zinc/72/42/93/387724293.db2.gz ANMYGRFOMQQJMS-ASHKBJFXSA-N 0 3 249.354 2.602 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000527802563 387726397 /nfs/dbraw/zinc/72/63/97/387726397.db2.gz ANMYGRFOMQQJMS-FJJYHAOUSA-N 0 3 249.354 2.602 20 10 BFCDHN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1[O-] ZINC000527930217 387794517 /nfs/dbraw/zinc/79/45/17/387794517.db2.gz QUBNXOKIBJFQPV-CHWSQXEVSA-N 0 3 249.354 2.860 20 10 BFCDHN CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000528002608 387807411 /nfs/dbraw/zinc/80/74/11/387807411.db2.gz YKGSSSBKPSINRJ-DFBGVHRSSA-N 0 3 249.354 2.999 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000134492832 387807770 /nfs/dbraw/zinc/80/77/70/387807770.db2.gz VKRUYZRWFSYHEM-GFCCVEGCSA-N 0 3 249.354 2.605 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000527977382 387816454 /nfs/dbraw/zinc/81/64/54/387816454.db2.gz ICBVBQBZSJWWOJ-DFBGVHRSSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC23CC(C2)CO3)c1 ZINC000527977791 387817330 /nfs/dbraw/zinc/81/73/30/387817330.db2.gz HBVBYXWBERBDPW-XIKARTHZSA-N 0 3 247.338 2.530 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C2(C)CCC2)c1 ZINC000160006959 388042119 /nfs/dbraw/zinc/04/21/19/388042119.db2.gz MPEDWSUHJZLVQB-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN CSC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000163982088 388119852 /nfs/dbraw/zinc/11/98/52/388119852.db2.gz MWRDGMBBLXJMQK-NXEZZACHSA-N 0 3 225.357 2.794 20 10 BFCDHN CS[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163995357 388122654 /nfs/dbraw/zinc/12/26/54/388122654.db2.gz JKZQAHIKOOXADD-ZJUUUORDSA-N 0 3 225.357 2.794 20 10 BFCDHN CCC1([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000294815765 388404509 /nfs/dbraw/zinc/40/45/09/388404509.db2.gz OHYWIPLBBYKJFL-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN C[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1[O-] ZINC000277160771 388353947 /nfs/dbraw/zinc/35/39/47/388353947.db2.gz RACVXTWKLDYYOZ-QMMMGPOBSA-N 0 3 227.254 2.841 20 10 BFCDHN CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000293636873 388390809 /nfs/dbraw/zinc/39/08/09/388390809.db2.gz GWLPZEXIORXGEP-IAQYHMDHSA-N 0 3 249.354 2.776 20 10 BFCDHN CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000293770794 388391419 /nfs/dbraw/zinc/39/14/19/388391419.db2.gz SDLTUZJPSOOEDA-XHDPSFHLSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000296295574 388420899 /nfs/dbraw/zinc/42/08/99/388420899.db2.gz FQEWYFNZXVXPLE-BXUZGUMPSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000296295579 388421094 /nfs/dbraw/zinc/42/10/94/388421094.db2.gz FQEWYFNZXVXPLE-SMDDNHRTSA-N 0 3 249.354 2.919 20 10 BFCDHN CCC(O)(CC)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297919019 388432773 /nfs/dbraw/zinc/43/27/73/388432773.db2.gz XCAOPQRGIGERBY-GFCCVEGCSA-N 0 3 249.354 2.520 20 10 BFCDHN CO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])C(C)C ZINC000272856639 389035086 /nfs/dbraw/zinc/03/50/86/389035086.db2.gz LZWWCLOYYQXRKJ-RISCZKNCSA-N 0 3 237.343 2.714 20 10 BFCDHN CO[C@H](C)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000273605176 389043170 /nfs/dbraw/zinc/04/31/70/389043170.db2.gz TWYWVZFTMNIQIX-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN CC(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296196193 167011943 /nfs/dbraw/zinc/01/19/43/167011943.db2.gz YSWXWNSUAALZDL-LLVKDONJSA-N 0 3 205.301 2.625 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000296632176 411197422 /nfs/dbraw/zinc/19/74/22/411197422.db2.gz XMWFPPOPEZJKMW-UPJWGTAASA-N 0 3 249.354 2.512 20 10 BFCDHN CC1=CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000281797883 168099856 /nfs/dbraw/zinc/09/98/56/168099856.db2.gz MGHOLWAKUVDWLC-UHFFFAOYSA-N 0 3 221.275 2.683 20 10 BFCDHN CC1=CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000281797883 168099857 /nfs/dbraw/zinc/09/98/57/168099857.db2.gz MGHOLWAKUVDWLC-UHFFFAOYSA-N 0 3 221.275 2.683 20 10 BFCDHN C[C@H]([NH2+]C1CC(C)C1)c1ccccc1[O-] ZINC000163991956 168147045 /nfs/dbraw/zinc/14/70/45/168147045.db2.gz XCXHAYXZYKJSFO-YVNMAJEFSA-N 0 3 205.301 2.841 20 10 BFCDHN CCC(C)(C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019879917 168299342 /nfs/dbraw/zinc/29/93/42/168299342.db2.gz GNVAASUALBYDJR-UHFFFAOYSA-N 0 3 223.316 2.679 20 10 BFCDHN CCOC(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000159292469 170313745 /nfs/dbraw/zinc/31/37/45/170313745.db2.gz YJFPYYJJJXQFHT-LLVKDONJSA-N 0 3 237.343 2.858 20 10 BFCDHN CCOCC(C)(C)[NH2+]Cc1cccc(C)c1[O-] ZINC000293755503 170354603 /nfs/dbraw/zinc/35/46/03/170354603.db2.gz XEWHBPSTXCHQGC-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CCOCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183430783 170369860 /nfs/dbraw/zinc/36/98/60/170369860.db2.gz FEAKSZILMMRGRW-LBPRGKRZSA-N 0 3 237.343 2.860 20 10 BFCDHN CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000042553098 171366040 /nfs/dbraw/zinc/36/60/40/171366040.db2.gz CPYZGNZPJUHZOX-WDEREUQCSA-N 0 3 237.343 2.925 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000297357215 171549557 /nfs/dbraw/zinc/54/95/57/171549557.db2.gz PNFVHEVDMPHAEB-AAEUAGOBSA-N 0 3 249.354 2.519 20 10 BFCDHN CCc1noc(C)c1CNCc1ccccc1O ZINC000292899131 172080050 /nfs/dbraw/zinc/08/00/50/172080050.db2.gz GKJJXSKNXYZNKC-UHFFFAOYSA-N 0 3 246.310 2.541 20 10 BFCDHN COCC1(C[NH2+]Cc2cc(C)ccc2[O-])CCC1 ZINC000281902029 174102617 /nfs/dbraw/zinc/10/26/17/174102617.db2.gz FTDMSKQJBFVUNW-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN COCCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000044657153 174202822 /nfs/dbraw/zinc/20/28/22/174202822.db2.gz CJVPBRFOGJBIAW-LBPRGKRZSA-N 0 3 237.343 2.778 20 10 BFCDHN COCCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273397641 174250581 /nfs/dbraw/zinc/25/05/81/174250581.db2.gz MHINEDQXPXVJOA-GFCCVEGCSA-N 0 3 237.343 2.696 20 10 BFCDHN COCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000081705480 174384414 /nfs/dbraw/zinc/38/44/14/174384414.db2.gz GPJGULKGCCCYHF-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN COCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618334 174385490 /nfs/dbraw/zinc/38/54/90/174385490.db2.gz RHVDVIZVVRSISH-NXEZZACHSA-N 0 3 241.306 2.607 20 10 BFCDHN COc1ccc(CNCc2cccnc2)cc1C ZINC000035052416 175108544 /nfs/dbraw/zinc/10/85/44/175108544.db2.gz JZJHHOJWFRPFOU-UHFFFAOYSA-N 0 3 242.322 2.688 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CC2=CCCCC2)c1 ZINC000295199744 175158881 /nfs/dbraw/zinc/15/88/81/175158881.db2.gz YMUYFJLJPUSDGI-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CC2(C)CCC2)c1 ZINC000224900845 175158890 /nfs/dbraw/zinc/15/88/90/175158890.db2.gz NAJJAAORZJYOOO-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CCC2=CCCC2)c1 ZINC000182664268 175159563 /nfs/dbraw/zinc/15/95/63/175159563.db2.gz QPPSKXSBCBNNNE-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN COc1cccc(CN2CC=C(C)CC2)c1O ZINC000271199863 175257402 /nfs/dbraw/zinc/25/74/02/175257402.db2.gz SYKCBHGIYGPICJ-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc(C[N@H+]2CC=C(C)CC2)c1[O-] ZINC000271199863 175257404 /nfs/dbraw/zinc/25/74/04/175257404.db2.gz SYKCBHGIYGPICJ-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc(C[N@@H+]2CC=C(C)CC2)c1[O-] ZINC000271199863 175257406 /nfs/dbraw/zinc/25/74/06/175257406.db2.gz SYKCBHGIYGPICJ-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc(C[NH2+]C23CCC(CC2)C3)c1[O-] ZINC000371753780 175262950 /nfs/dbraw/zinc/26/29/50/175262950.db2.gz QAVGWJXJGVAPRY-UHFFFAOYSA-N 0 3 247.338 2.823 20 10 BFCDHN COc1cccc(C[NH2+]CC2=CCCCC2)c1[O-] ZINC000295061580 175263260 /nfs/dbraw/zinc/26/32/60/175263260.db2.gz GOGLUABGUISTCF-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN COc1cccc(C[NH2+][C@@H](C)C2CCC2)c1[O-] ZINC000119653798 175265937 /nfs/dbraw/zinc/26/59/37/175265937.db2.gz IRNKLGPDZLYHAG-JTQLQIEISA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1[O-] ZINC000290141754 175267318 /nfs/dbraw/zinc/26/73/18/175267318.db2.gz OBOGJSNDQADYPE-GFCCVEGCSA-N 0 3 235.327 2.679 20 10 BFCDHN CSC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296423162 175453593 /nfs/dbraw/zinc/45/35/93/175453593.db2.gz LOTXKIYLGCOVQQ-LLVKDONJSA-N 0 3 249.379 2.865 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccccc1[O-] ZINC000183645750 175925132 /nfs/dbraw/zinc/92/51/32/175925132.db2.gz RLVFPLLOMQXBTL-NEPJUHHUSA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296746643 176379510 /nfs/dbraw/zinc/37/95/10/176379510.db2.gz JPXLOUCSVGQYRA-WXHSDQCUSA-N 0 3 247.338 2.537 20 10 BFCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)C1CC1 ZINC000183496881 176864769 /nfs/dbraw/zinc/86/47/69/176864769.db2.gz VCMWXLZHJFZEKR-RYUDHWBXSA-N 0 3 248.370 2.526 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272812106 176901617 /nfs/dbraw/zinc/90/16/17/176901617.db2.gz DHGPQDPIVSYWDP-GRYCIOLGSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000070826315 177142971 /nfs/dbraw/zinc/14/29/71/177142971.db2.gz BKOJQZZHIKPAEQ-CMPLNLGQSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@H]1C[NH+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000226565404 177260275 /nfs/dbraw/zinc/26/02/75/177260275.db2.gz QEFGYKXZXRTJBJ-UWVGGRQHSA-N 0 3 223.291 2.619 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000085962892 487876037 /nfs/dbraw/zinc/87/60/37/487876037.db2.gz NCMICUXDAWCOCH-OBJOEFQTSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccccc1[O-] ZINC000528001251 323736085 /nfs/dbraw/zinc/73/60/85/323736085.db2.gz INYMFRQMEUAFSK-TVEHIPJCSA-N 0 3 249.354 2.855 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC000529541053 324331833 /nfs/dbraw/zinc/33/18/33/324331833.db2.gz ZXPIDEDFQUDOLM-VIFPVBQESA-N 0 3 241.281 2.916 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[O-] ZINC000529670074 324375964 /nfs/dbraw/zinc/37/59/64/324375964.db2.gz QQAWESKVAHOFSH-MNXVOIDGSA-N 0 3 249.354 2.602 20 10 BFCDHN COc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([O-])cc1C ZINC000853575153 588749377 /nfs/dbraw/zinc/74/93/77/588749377.db2.gz AZSMTZMHNFUICQ-RYUDHWBXSA-N 0 3 247.338 2.551 20 10 BFCDHN COc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c([O-])cc1C ZINC000853575153 588749378 /nfs/dbraw/zinc/74/93/78/588749378.db2.gz AZSMTZMHNFUICQ-RYUDHWBXSA-N 0 3 247.338 2.551 20 10 BFCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000725779848 582848413 /nfs/dbraw/zinc/84/84/13/582848413.db2.gz RYULCLRNGDDDGX-LLVKDONJSA-N 0 3 231.339 2.723 20 10 BFCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000725779848 582848416 /nfs/dbraw/zinc/84/84/16/582848416.db2.gz RYULCLRNGDDDGX-LLVKDONJSA-N 0 3 231.339 2.723 20 10 BFCDHN C[C@@H](NCc1cccc(F)n1)c1ccccc1O ZINC000783518276 582958438 /nfs/dbraw/zinc/95/84/38/582958438.db2.gz KHICUSCYKWINED-SNVBAGLBSA-N 0 3 246.285 2.777 20 10 BFCDHN CC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894145672 583318354 /nfs/dbraw/zinc/31/83/54/583318354.db2.gz GHCWAZADBNULJT-JTQLQIEISA-N 0 3 223.316 2.597 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@H](C)C2(C)CC2)c1[O-] ZINC000894204990 583341499 /nfs/dbraw/zinc/34/14/99/583341499.db2.gz VXXJAJMEHQUYBS-NSHDSACASA-N 0 3 249.354 2.987 20 10 BFCDHN CO[C@H](CC(C)C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877702805 583343947 /nfs/dbraw/zinc/34/39/47/583343947.db2.gz IGYKDPBFMPAALC-CYBMUJFWSA-N 0 3 249.354 2.769 20 10 BFCDHN CO[C@H](CC(C)C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877702805 583343952 /nfs/dbraw/zinc/34/39/52/583343952.db2.gz IGYKDPBFMPAALC-CYBMUJFWSA-N 0 3 249.354 2.769 20 10 BFCDHN COCC1(C[N@@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC000877703041 583344048 /nfs/dbraw/zinc/34/40/48/583344048.db2.gz PEEVROURVKSDNG-UHFFFAOYSA-N 0 3 247.338 2.525 20 10 BFCDHN COCC1(C[N@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC000877703041 583344052 /nfs/dbraw/zinc/34/40/52/583344052.db2.gz PEEVROURVKSDNG-UHFFFAOYSA-N 0 3 247.338 2.525 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000894860093 583533439 /nfs/dbraw/zinc/53/34/39/583533439.db2.gz AMIPFWJMYIWZOI-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000894860093 583533442 /nfs/dbraw/zinc/53/34/42/583533442.db2.gz AMIPFWJMYIWZOI-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN CCc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1[O-] ZINC000894862205 583535315 /nfs/dbraw/zinc/53/53/15/583535315.db2.gz UAYFZEGFMLSFSF-WDEREUQCSA-N 0 3 219.328 2.795 20 10 BFCDHN CCc1cccc(C[N@H+]2C[C@H](C)[C@H]2C)c1[O-] ZINC000894862205 583535316 /nfs/dbraw/zinc/53/53/16/583535316.db2.gz UAYFZEGFMLSFSF-WDEREUQCSA-N 0 3 219.328 2.795 20 10 BFCDHN CCC1CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000894968808 583560481 /nfs/dbraw/zinc/56/04/81/583560481.db2.gz DZQZHPWZUYUKHB-UHFFFAOYSA-N 0 3 235.327 2.551 20 10 BFCDHN CCOc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000793219571 583577536 /nfs/dbraw/zinc/57/75/36/583577536.db2.gz ABPBGNBDZXHSBI-QWRGUYRKSA-N 0 3 235.327 2.774 20 10 BFCDHN Cc1ncoc1CN[C@@H](C)c1ccccc1O ZINC000895460166 583677799 /nfs/dbraw/zinc/67/77/99/583677799.db2.gz LUQLLFCJJRRUHC-VIFPVBQESA-N 0 3 232.283 2.539 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1C=CCC1 ZINC000895527243 583684309 /nfs/dbraw/zinc/68/43/09/583684309.db2.gz KKRIZEVHLQRNPH-LBPRGKRZSA-N 0 3 217.312 2.756 20 10 BFCDHN C/C=C/CNC/C=C/c1ccc(N(C)C)cc1 ZINC000858290187 588942448 /nfs/dbraw/zinc/94/24/48/588942448.db2.gz CRTVIFBHAHHVBD-YTXTXJHMSA-N 0 3 230.355 2.932 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897952334 584063469 /nfs/dbraw/zinc/06/34/69/584063469.db2.gz GGIRIJPVEYXXLU-GMXVVIOVSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1[O-] ZINC000897952704 584063556 /nfs/dbraw/zinc/06/35/56/584063556.db2.gz JGECSEJYSAMJEO-KGYLQXTDSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897953923 584063965 /nfs/dbraw/zinc/06/39/65/584063965.db2.gz VFXZHCSDEDIUTQ-IACUBPJLSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897953925 584064309 /nfs/dbraw/zinc/06/43/09/584064309.db2.gz VFXZHCSDEDIUTQ-MRVWCRGKSA-N 0 3 231.339 2.979 20 10 BFCDHN CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634386 584648166 /nfs/dbraw/zinc/64/81/66/584648166.db2.gz HHZAQVHOHKJBPS-UKRRQHHQSA-N 0 3 249.354 2.618 20 10 BFCDHN CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634386 584648167 /nfs/dbraw/zinc/64/81/67/584648167.db2.gz HHZAQVHOHKJBPS-UKRRQHHQSA-N 0 3 249.354 2.618 20 10 BFCDHN CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634385 584648263 /nfs/dbraw/zinc/64/82/63/584648263.db2.gz HHZAQVHOHKJBPS-HIFRSBDPSA-N 0 3 249.354 2.618 20 10 BFCDHN CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634385 584648264 /nfs/dbraw/zinc/64/82/64/584648264.db2.gz HHZAQVHOHKJBPS-HIFRSBDPSA-N 0 3 249.354 2.618 20 10 BFCDHN C[N@H+](CC[C@@H]1CCCCO1)Cc1ccccc1[O-] ZINC000754063157 585277093 /nfs/dbraw/zinc/27/70/93/585277093.db2.gz BCOQJENNMLUEKH-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN C[N@@H+](CC[C@@H]1CCCCO1)Cc1ccccc1[O-] ZINC000754063157 585277094 /nfs/dbraw/zinc/27/70/94/585277094.db2.gz BCOQJENNMLUEKH-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN COc1cc(C)cc(CN2CC=C(C)CC2)c1O ZINC000755768346 585306345 /nfs/dbraw/zinc/30/63/45/585306345.db2.gz PGEBJPJIXFCPNO-UHFFFAOYSA-N 0 3 247.338 2.861 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c([O-])c1 ZINC000756768750 585322877 /nfs/dbraw/zinc/32/28/77/585322877.db2.gz GRDQAMRRTOOTHN-DGCLKSJQSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c1 ZINC000756769929 585322895 /nfs/dbraw/zinc/32/28/95/585322895.db2.gz PXKYEAXVNGPHIU-DGCLKSJQSA-N 0 3 249.354 2.512 20 10 BFCDHN COCC1([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000756849979 585324263 /nfs/dbraw/zinc/32/42/63/585324263.db2.gz IDKGPJKSHANWEY-GFCCVEGCSA-N 0 3 249.354 2.839 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCOCC2CCC2)c1 ZINC000764977091 585478376 /nfs/dbraw/zinc/47/83/76/585478376.db2.gz LKNFDHSWUNPNLO-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1CCC(C)CC1 ZINC000768144436 585533066 /nfs/dbraw/zinc/53/30/66/585533066.db2.gz QWBKSBOMOLIYGM-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCC[N@H+](CC)Cc1cc(OC)c(C)cc1[O-] ZINC000768446435 585538899 /nfs/dbraw/zinc/53/88/99/585538899.db2.gz XMOHCRDWKOTVBJ-UHFFFAOYSA-N 0 3 237.343 2.941 20 10 BFCDHN CCC[N@@H+](CC)Cc1cc(OC)c(C)cc1[O-] ZINC000768446435 585538900 /nfs/dbraw/zinc/53/89/00/585538900.db2.gz XMOHCRDWKOTVBJ-UHFFFAOYSA-N 0 3 237.343 2.941 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC2(CCC2)C1 ZINC000769444886 585556910 /nfs/dbraw/zinc/55/69/10/585556910.db2.gz GNYZVHHWDNVHNR-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC2(CCC2)C1 ZINC000769444886 585556911 /nfs/dbraw/zinc/55/69/11/585556911.db2.gz GNYZVHHWDNVHNR-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCC2(C)C)c([O-])c1 ZINC000769446380 585556997 /nfs/dbraw/zinc/55/69/97/585556997.db2.gz NDSSJPGOFPGSOC-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCC2(C)C)c([O-])c1 ZINC000769446380 585556998 /nfs/dbraw/zinc/55/69/98/585556998.db2.gz NDSSJPGOFPGSOC-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000770283854 585572666 /nfs/dbraw/zinc/57/26/66/585572666.db2.gz NRSNMEMVDPSDIK-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000770283854 585572667 /nfs/dbraw/zinc/57/26/67/585572667.db2.gz NRSNMEMVDPSDIK-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CCN(C)c1ccc(CN2CC=CCC2)cc1 ZINC000773829326 585644536 /nfs/dbraw/zinc/64/45/36/585644536.db2.gz BATOFMPHCNBAKA-UHFFFAOYSA-N 0 3 230.355 2.905 20 10 BFCDHN C[C@@H](NCc1cc[nH]c1)c1ccc(N(C)C)cc1 ZINC000775364401 585676374 /nfs/dbraw/zinc/67/63/74/585676374.db2.gz PZPDUFWDNVJPQB-GFCCVEGCSA-N 0 3 243.354 2.932 20 10 BFCDHN CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1[O-] ZINC000775527600 585678956 /nfs/dbraw/zinc/67/89/56/585678956.db2.gz RSXLAHDXXMMYTC-KBPBESRZSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@@H]([NH2+]C1(COC)CC1)c1ccccc1[O-] ZINC000775540127 585679126 /nfs/dbraw/zinc/67/91/26/585679126.db2.gz JBCMYOVNGURYME-GFCCVEGCSA-N 0 3 235.327 2.612 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C[C@H]1CCOC1 ZINC000775654159 585682255 /nfs/dbraw/zinc/68/22/55/585682255.db2.gz UBEMGTLRLRGLSI-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C[C@H]1CCOC1 ZINC000775654159 585682256 /nfs/dbraw/zinc/68/22/56/585682256.db2.gz UBEMGTLRLRGLSI-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000776255783 585693886 /nfs/dbraw/zinc/69/38/86/585693886.db2.gz IFJLRZVSZPBIKN-GXTWGEPZSA-N 0 3 249.354 2.605 20 10 BFCDHN C[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999212 585743764 /nfs/dbraw/zinc/74/37/64/585743764.db2.gz AWNHICMLUZOKQE-QWHCGFSZSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999212 585743765 /nfs/dbraw/zinc/74/37/65/585743765.db2.gz AWNHICMLUZOKQE-QWHCGFSZSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999211 585743823 /nfs/dbraw/zinc/74/38/23/585743823.db2.gz AWNHICMLUZOKQE-OLZOCXBDSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999211 585743824 /nfs/dbraw/zinc/74/38/24/585743824.db2.gz AWNHICMLUZOKQE-OLZOCXBDSA-N 0 3 249.354 2.639 20 10 BFCDHN CCOc1cccc(CN2CC=CCC2)c1O ZINC000779159928 585746356 /nfs/dbraw/zinc/74/63/56/585746356.db2.gz SGRMEMDCXGGHNG-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC=CCC2)c([O-])c1 ZINC000779159680 585746436 /nfs/dbraw/zinc/74/64/36/585746436.db2.gz QQQGGQCNJOREIX-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC=CCC2)c([O-])c1 ZINC000779159680 585746437 /nfs/dbraw/zinc/74/64/37/585746437.db2.gz QQQGGQCNJOREIX-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1C ZINC000784641590 585865075 /nfs/dbraw/zinc/86/50/75/585865075.db2.gz YWGNKWRMIOSCQD-DOMZBBRYSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1nc(F)ccc1C[NH2+]Cc1ccccc1[O-] ZINC000785445925 585874130 /nfs/dbraw/zinc/87/41/30/585874130.db2.gz MPOYGIMJFMKNDW-UHFFFAOYSA-N 0 3 246.285 2.525 20 10 BFCDHN COC(C)(C)CC[N@H+](C)Cc1ccccc1[O-] ZINC000787264612 585903885 /nfs/dbraw/zinc/90/38/85/585903885.db2.gz NJQJQLQECNMDSK-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN COC(C)(C)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000787264612 585903886 /nfs/dbraw/zinc/90/38/86/585903886.db2.gz NJQJQLQECNMDSK-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN COC1(C[N@H+](C)Cc2ccccc2[O-])CCCC1 ZINC000792167695 585997002 /nfs/dbraw/zinc/99/70/02/585997002.db2.gz ZQACFJSDDWKTNV-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN COC1(C[N@@H+](C)Cc2ccccc2[O-])CCCC1 ZINC000792167695 585997003 /nfs/dbraw/zinc/99/70/03/585997003.db2.gz ZQACFJSDDWKTNV-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCC1(C)CC1 ZINC000793198716 586013624 /nfs/dbraw/zinc/01/36/24/586013624.db2.gz LDEXKJSNIOEHEO-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN C[C@H]1C[C@H](C)[NH+]1Cc1cc(F)ccc1[O-] ZINC000793220280 586014569 /nfs/dbraw/zinc/01/45/69/586014569.db2.gz MTGBVHGGGISOEA-IUCAKERBSA-N 0 3 209.264 2.514 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000796815182 586113343 /nfs/dbraw/zinc/11/33/43/586113343.db2.gz CCKKWKFLWNARLM-KBPBESRZSA-N 0 3 249.354 2.925 20 10 BFCDHN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000806145358 586405664 /nfs/dbraw/zinc/40/56/64/586405664.db2.gz AQBZYILHTXLPHU-MFKMUULPSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)c([O-])c1 ZINC000809658411 586511182 /nfs/dbraw/zinc/51/11/82/586511182.db2.gz NAKSFDZBRYKOSW-KBPBESRZSA-N 0 3 249.354 2.925 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1CC2(C1)CCCC2 ZINC000813331963 586600452 /nfs/dbraw/zinc/60/04/52/586600452.db2.gz OAKTUBIYXQOXNC-UHFFFAOYSA-N 0 3 235.302 2.907 20 10 BFCDHN Cc1cc(CN2C[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815162792 586671768 /nfs/dbraw/zinc/67/17/68/586671768.db2.gz JHZRLCJZOFWLFH-CHWSQXEVSA-N 0 3 232.371 2.901 20 10 BFCDHN C[C@H](CN)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817966740 586855706 /nfs/dbraw/zinc/85/57/06/586855706.db2.gz UVEFKXOOGTUENY-MNOVXSKESA-N 0 3 244.338 2.543 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1[O-] ZINC000817972303 586859772 /nfs/dbraw/zinc/85/97/72/586859772.db2.gz VYSDCEHTXKMPKL-DYEKYZERSA-N 0 3 248.370 2.573 20 10 BFCDHN Cc1cc(O)c(CN2CC[C@H](F)C2)cc1C ZINC000824571874 587277274 /nfs/dbraw/zinc/27/72/74/587277274.db2.gz PLZSDOMAWKBFLU-LBPRGKRZSA-N 0 3 223.291 2.553 20 10 BFCDHN CN(C)c1ccc(CN2CC[C@H]2C2CC2)cc1F ZINC000824649749 587281054 /nfs/dbraw/zinc/28/10/54/587281054.db2.gz FLZOVPVCSFHZKH-AWEZNQCLSA-N 0 3 248.345 2.876 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650111 587281086 /nfs/dbraw/zinc/28/10/86/587281086.db2.gz IQYIKKPDEBGJCR-LBPRGKRZSA-N 0 3 221.275 2.516 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650111 587281087 /nfs/dbraw/zinc/28/10/87/587281087.db2.gz IQYIKKPDEBGJCR-LBPRGKRZSA-N 0 3 221.275 2.516 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000824650138 587281119 /nfs/dbraw/zinc/28/11/19/587281119.db2.gz JLKYYVSJCCWVPH-CQSZACIVSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000824650138 587281120 /nfs/dbraw/zinc/28/11/20/587281120.db2.gz JLKYYVSJCCWVPH-CQSZACIVSA-N 0 3 247.338 2.775 20 10 BFCDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000824903712 587292634 /nfs/dbraw/zinc/29/26/34/587292634.db2.gz KOGGZLVPUJENCM-UKRRQHHQSA-N 0 3 249.354 2.666 20 10 BFCDHN CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000824976609 587296510 /nfs/dbraw/zinc/29/65/10/587296510.db2.gz CPFKFTCIFSZHFW-STQMWFEESA-N 0 3 219.328 2.774 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2COCC2(C)C)cc1C ZINC000825090962 587303804 /nfs/dbraw/zinc/30/38/04/587303804.db2.gz OXLMSUQKXRWZAI-CQSZACIVSA-N 0 3 249.354 2.524 20 10 BFCDHN CCc1cccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000827506537 587384855 /nfs/dbraw/zinc/38/48/55/587384855.db2.gz ILAOQVRCQXEORH-JSGCOSHPSA-N 0 3 231.339 2.796 20 10 BFCDHN CCc1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000827506537 587384856 /nfs/dbraw/zinc/38/48/56/587384856.db2.gz ILAOQVRCQXEORH-JSGCOSHPSA-N 0 3 231.339 2.796 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1C ZINC000834912901 587770607 /nfs/dbraw/zinc/77/06/07/587770607.db2.gz FHQGKUNYQPJVEY-MRVWCRGKSA-N 0 3 249.354 2.573 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CC1(F)F ZINC000840969160 587932485 /nfs/dbraw/zinc/93/24/85/587932485.db2.gz YQPQKENDYFVIHX-SCZZXKLOSA-N 0 3 227.254 2.526 20 10 BFCDHN CO[C@](C)([C@@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000840961114 587932597 /nfs/dbraw/zinc/93/25/97/587932597.db2.gz QQXVNVUDZKMBJW-IAQYHMDHSA-N 0 3 249.354 2.685 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000841891293 587982056 /nfs/dbraw/zinc/98/20/56/587982056.db2.gz XRYJCKRLWZMUTK-TUAOUCFPSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000841891293 587982057 /nfs/dbraw/zinc/98/20/57/587982057.db2.gz XRYJCKRLWZMUTK-TUAOUCFPSA-N 0 3 249.354 2.877 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c([O-])c1C ZINC000842929714 588071953 /nfs/dbraw/zinc/07/19/53/588071953.db2.gz RWBGUGWBCKABAD-DRZSPHRISA-N 0 3 249.354 2.837 20 10 BFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC2(CCC2)O1 ZINC000843435831 588109605 /nfs/dbraw/zinc/10/96/05/588109605.db2.gz UKOWULQAAOYWLO-GFCCVEGCSA-N 0 3 247.338 2.536 20 10 BFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC2(CCC2)O1 ZINC000843435831 588109606 /nfs/dbraw/zinc/10/96/06/588109606.db2.gz UKOWULQAAOYWLO-GFCCVEGCSA-N 0 3 247.338 2.536 20 10 BFCDHN CC[N@H+](CCSC)Cc1ccccc1[O-] ZINC000843437391 588110234 /nfs/dbraw/zinc/11/02/34/588110234.db2.gz GQOVKRDDYLUHGF-UHFFFAOYSA-N 0 3 225.357 2.577 20 10 BFCDHN CC[N@@H+](CCSC)Cc1ccccc1[O-] ZINC000843437391 588110236 /nfs/dbraw/zinc/11/02/36/588110236.db2.gz GQOVKRDDYLUHGF-UHFFFAOYSA-N 0 3 225.357 2.577 20 10 BFCDHN COc1ccc(O)c([C@@H](C)NCC2(F)CC2)c1 ZINC000845972524 588252268 /nfs/dbraw/zinc/25/22/68/588252268.db2.gz RGOQLPZROQDPGY-SECBINFHSA-N 0 3 239.290 2.554 20 10 BFCDHN CCC1([NH2+][C@H](C)c2cccc(OC)c2[O-])CC1 ZINC000846169017 588259081 /nfs/dbraw/zinc/25/90/81/588259081.db2.gz DWUWPELJPUTAHQ-SNVBAGLBSA-N 0 3 235.327 2.994 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1[O-] ZINC000846174791 588259165 /nfs/dbraw/zinc/25/91/65/588259165.db2.gz YYVRFJRCDQMDSO-JFGNBEQYSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000846175230 588259259 /nfs/dbraw/zinc/25/92/59/588259259.db2.gz YAUMHHCTHKDHTE-BXKDBHETSA-N 0 3 233.311 2.604 20 10 BFCDHN CCc1cccc(C[N@H+](C)C2CCC2)c1[O-] ZINC000848885860 588416718 /nfs/dbraw/zinc/41/67/18/588416718.db2.gz BAZRWTHLTBZOJA-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1cccc(C[N@@H+](C)C2CCC2)c1[O-] ZINC000848885860 588416720 /nfs/dbraw/zinc/41/67/20/588416720.db2.gz BAZRWTHLTBZOJA-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN Cc1cccc(CN2CC3(CC3(F)F)C2)c1O ZINC000848922449 588420886 /nfs/dbraw/zinc/42/08/86/588420886.db2.gz SUMOGMWCDGKJEK-UHFFFAOYSA-N 0 3 239.265 2.542 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C=CCC2)cc1C ZINC000850358833 588539209 /nfs/dbraw/zinc/53/92/09/588539209.db2.gz MEIVIYGVGJIOSY-CYBMUJFWSA-N 0 3 217.312 2.817 20 10 BFCDHN CCOc1ccc(C[NH2+][C@H]2C=CCC2)c([O-])c1 ZINC000850358195 588539448 /nfs/dbraw/zinc/53/94/48/588539448.db2.gz JUNYBHKYGASYBL-LBPRGKRZSA-N 0 3 233.311 2.599 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000865699342 589457337 /nfs/dbraw/zinc/45/73/37/589457337.db2.gz PYCNLLORWGBECR-NWDGAFQWSA-N 0 3 223.291 2.763 20 10 BFCDHN CC(C)([NH2+]Cc1ccccc1[O-])[C@@H]1CCCCO1 ZINC000865746077 589460499 /nfs/dbraw/zinc/46/04/99/589460499.db2.gz LKGYGNQFTSAFOC-AWEZNQCLSA-N 0 3 249.354 2.830 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)C2CC2)c1 ZINC000123538077 589748252 /nfs/dbraw/zinc/74/82/52/589748252.db2.gz ARZJSEAQQHJAFC-NSHDSACASA-N 0 3 219.328 2.836 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C)cc1[O-] ZINC000872125499 589876241 /nfs/dbraw/zinc/87/62/41/589876241.db2.gz BUBMCDVQGUPIOZ-YRGRVCCFSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1cccc(C[NH2+][C@]23CCC[C@H]2OCC3)c1[O-] ZINC000872262935 589902010 /nfs/dbraw/zinc/90/20/10/589902010.db2.gz FTSHCQVNRJOHTE-HIFRSBDPSA-N 0 3 247.338 2.502 20 10 BFCDHN CC[C@@H]([NH2+]CCN1CCCC1)c1ccccc1[O-] ZINC000020126917 590076471 /nfs/dbraw/zinc/07/64/71/590076471.db2.gz HJPKAAPOXTWHLE-CQSZACIVSA-N 0 3 248.370 2.529 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccnc1 ZINC000020127536 590076926 /nfs/dbraw/zinc/07/69/26/590076926.db2.gz YAAVYONKYXTZRP-LLVKDONJSA-N 0 3 228.295 2.638 20 10 BFCDHN Cc1ccc(C[NH+]2CCC(C)CC2)c([O-])c1 ZINC000876528014 590209343 /nfs/dbraw/zinc/20/93/43/590209343.db2.gz OJXXPOAYYKYHCG-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@H]1CO[C@H](C)CN1Cc1ccc(C)cc1O ZINC000876535824 590211349 /nfs/dbraw/zinc/21/13/49/590211349.db2.gz QPRWKGNVHLDAHT-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876582048 590218954 /nfs/dbraw/zinc/21/89/54/590218954.db2.gz JEGKWIAXZXFAFL-LLVKDONJSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876582048 590218955 /nfs/dbraw/zinc/21/89/55/590218955.db2.gz JEGKWIAXZXFAFL-LLVKDONJSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C[C@@H]1CCOC1 ZINC000876597414 590220285 /nfs/dbraw/zinc/22/02/85/590220285.db2.gz YMEAWOFNYRDFGS-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C[C@@H]1CCOC1 ZINC000876597414 590220287 /nfs/dbraw/zinc/22/02/87/590220287.db2.gz YMEAWOFNYRDFGS-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000876634710 590224099 /nfs/dbraw/zinc/22/40/99/590224099.db2.gz ZDUWBEWEOOPURJ-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000876634710 590224100 /nfs/dbraw/zinc/22/41/00/590224100.db2.gz ZDUWBEWEOOPURJ-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)C1 ZINC000876636497 590224170 /nfs/dbraw/zinc/22/41/70/590224170.db2.gz IKHZWEDRHOIHSK-SNVBAGLBSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)C1 ZINC000876636497 590224171 /nfs/dbraw/zinc/22/41/71/590224171.db2.gz IKHZWEDRHOIHSK-SNVBAGLBSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc(CN2C[C@@H](C)OC(C)(C)C2)c(O)c1 ZINC000876637651 590224711 /nfs/dbraw/zinc/22/47/11/590224711.db2.gz YCNAKYQXSZCLMR-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]1CN(Cc2ccc(C)cc2O)C[C@@H](C)O1 ZINC000876638636 590224849 /nfs/dbraw/zinc/22/48/49/590224849.db2.gz DHJPULZRIBUQIT-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[N@H+](C)C[C@H]2CCCOC2)c([O-])c1 ZINC000876695907 590231812 /nfs/dbraw/zinc/23/18/12/590231812.db2.gz KPSSDOCIMADPPT-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)c([O-])c1 ZINC000876695907 590231814 /nfs/dbraw/zinc/23/18/14/590231814.db2.gz KPSSDOCIMADPPT-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C)c([O-])c1 ZINC000876722784 590233358 /nfs/dbraw/zinc/23/33/58/590233358.db2.gz FFEBZPQXHXUACU-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C)c([O-])c1 ZINC000876722784 590233359 /nfs/dbraw/zinc/23/33/59/590233359.db2.gz FFEBZPQXHXUACU-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC1(C)C ZINC000876744431 590235952 /nfs/dbraw/zinc/23/59/52/590235952.db2.gz SMEYXJPFBFCAFR-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC1(C)C ZINC000876744431 590235954 /nfs/dbraw/zinc/23/59/54/590235954.db2.gz SMEYXJPFBFCAFR-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CCC[C@@H]1CN(Cc2c(C)cccc2O)CCO1 ZINC000876749562 590236989 /nfs/dbraw/zinc/23/69/89/590236989.db2.gz MJENSPNXFMAVNM-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CCOC[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876788753 590241034 /nfs/dbraw/zinc/24/10/34/590241034.db2.gz JFJRVPDFAYBWEW-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876788753 590241036 /nfs/dbraw/zinc/24/10/36/590241036.db2.gz JFJRVPDFAYBWEW-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000876799519 590242852 /nfs/dbraw/zinc/24/28/52/590242852.db2.gz GRNUFHNWISGXID-PWSUYJOCSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000876799519 590242854 /nfs/dbraw/zinc/24/28/54/590242854.db2.gz GRNUFHNWISGXID-PWSUYJOCSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(CN[C@@H](C)c2ccccn2)c(O)c1 ZINC000876887645 590254514 /nfs/dbraw/zinc/25/45/14/590254514.db2.gz CGXXVZGSPKOPQW-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C1CC1 ZINC000876896689 590255272 /nfs/dbraw/zinc/25/52/72/590255272.db2.gz KVHUKRQTAKHSIS-SNVBAGLBSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)c2cccnc2)c([O-])c1 ZINC000876907884 590255947 /nfs/dbraw/zinc/25/59/47/590255947.db2.gz IMDGHVRYBPZTGF-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1noc(C)c1CNCc1c(C)cccc1O ZINC000876969723 590262500 /nfs/dbraw/zinc/26/25/00/590262500.db2.gz YCBFSYPHOSCMED-UHFFFAOYSA-N 0 3 246.310 2.595 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876996268 590266797 /nfs/dbraw/zinc/26/67/97/590266797.db2.gz QFRPMFPONMRWPP-VIFPVBQESA-N 0 3 246.137 2.676 20 10 BFCDHN CSC(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877065169 590276628 /nfs/dbraw/zinc/27/66/28/590276628.db2.gz HQDCWNPECUTWNM-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN Cc1ccc(C[NH2+]CC2(C)CCOCC2)c([O-])c1 ZINC000877075428 590278642 /nfs/dbraw/zinc/27/86/42/590278642.db2.gz BXJVDRRBVBEJSZ-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000877094803 590282132 /nfs/dbraw/zinc/28/21/32/590282132.db2.gz TVUPRTNTWSYSDU-STQMWFEESA-N 0 3 249.354 2.605 20 10 BFCDHN COCCC1(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877095545 590282170 /nfs/dbraw/zinc/28/21/70/590282170.db2.gz REZZJOQUYCDSTJ-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000877126345 590289828 /nfs/dbraw/zinc/28/98/28/590289828.db2.gz IPTUIMIJHPYGMW-RYUDHWBXSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000877135252 590290888 /nfs/dbraw/zinc/29/08/88/590290888.db2.gz VSHFSZCWCHZHRR-STQMWFEESA-N 0 3 249.354 2.605 20 10 BFCDHN CCOC(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877459964 590331092 /nfs/dbraw/zinc/33/10/92/590331092.db2.gz PKANDTXMWKEOGU-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CSC2(C)C)c([O-])c1 ZINC000877504635 590342552 /nfs/dbraw/zinc/34/25/52/590342552.db2.gz OHUDIXPGXVUTMD-LBPRGKRZSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCC2(C)C)c([O-])c1 ZINC000877522100 590346749 /nfs/dbraw/zinc/34/67/49/590346749.db2.gz MPCYFHSIQGWEAU-CYBMUJFWSA-N 0 3 219.328 2.979 20 10 BFCDHN COCC(C)(C)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877546438 590353485 /nfs/dbraw/zinc/35/34/85/590353485.db2.gz SCENFDOREJXNDN-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COCC(C)(C)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877546438 590353488 /nfs/dbraw/zinc/35/34/88/590353488.db2.gz SCENFDOREJXNDN-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1cc(C[NH2+]Cc2c(C)cccc2[O-])ccn1 ZINC000877559553 590358328 /nfs/dbraw/zinc/35/83/28/590358328.db2.gz ZATDAHYZCLFGRY-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN COC[C@@]1(C)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877558572 590359111 /nfs/dbraw/zinc/35/91/11/590359111.db2.gz KBIATBILAVHXRI-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@]1(C)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877558572 590359114 /nfs/dbraw/zinc/35/91/14/590359114.db2.gz KBIATBILAVHXRI-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000877574136 590363006 /nfs/dbraw/zinc/36/30/06/590363006.db2.gz BEHYXVXVMHQRKA-STQMWFEESA-N 0 3 231.339 2.836 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)c([O-])c1 ZINC000877587658 590368308 /nfs/dbraw/zinc/36/83/08/590368308.db2.gz FUYIICINCDSTNN-CMPLNLGQSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000877588115 590368796 /nfs/dbraw/zinc/36/87/96/590368796.db2.gz LVWVZCZWDWWARE-GHMZBOCLSA-N 0 3 237.368 2.684 20 10 BFCDHN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877596775 590369625 /nfs/dbraw/zinc/36/96/25/590369625.db2.gz XSCCZFQWQYZXAT-UONOGXRCSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc(C[NH2+]CCc2ccoc2)c([O-])c1 ZINC000877630509 590377705 /nfs/dbraw/zinc/37/77/05/590377705.db2.gz KGGWFOOEMLDIHK-UHFFFAOYSA-N 0 3 231.295 2.626 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(C)CC1(F)F ZINC000877631942 590378453 /nfs/dbraw/zinc/37/84/53/590378453.db2.gz YAPRNNNNWVACKE-LBPRGKRZSA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1ccc(C[NH2+]CC2=CCCC2)c([O-])c1 ZINC000877635725 590381093 /nfs/dbraw/zinc/38/10/93/590381093.db2.gz CEUGLDKNSYNRNR-UHFFFAOYSA-N 0 3 217.312 2.901 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCCOC1 ZINC000877647526 590384301 /nfs/dbraw/zinc/38/43/01/590384301.db2.gz DQTNHOYTQDCLHZ-CYBMUJFWSA-N 0 3 249.354 2.607 20 10 BFCDHN CC1(F)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000877700204 590394191 /nfs/dbraw/zinc/39/41/91/590394191.db2.gz IHDQVGVQIVOACT-UHFFFAOYSA-N 0 3 223.291 2.716 20 10 BFCDHN CC1(F)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000877700666 590395078 /nfs/dbraw/zinc/39/50/78/590395078.db2.gz SJVGPIVWZPMAQL-UHFFFAOYSA-N 0 3 241.281 2.855 20 10 BFCDHN CO[C@](C)(C[N@@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877703275 590395342 /nfs/dbraw/zinc/39/53/42/590395342.db2.gz ZJAOIGFSEULVPU-OAHLLOKOSA-N 0 3 247.338 2.523 20 10 BFCDHN CO[C@](C)(C[N@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877703275 590395344 /nfs/dbraw/zinc/39/53/44/590395344.db2.gz ZJAOIGFSEULVPU-OAHLLOKOSA-N 0 3 247.338 2.523 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877703395 590395606 /nfs/dbraw/zinc/39/56/06/590395606.db2.gz GYGTVVJSJALAAM-NXEZZACHSA-N 0 3 245.244 2.741 20 10 BFCDHN CC1(C[N@@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC000877703237 590395986 /nfs/dbraw/zinc/39/59/86/590395986.db2.gz XQMIZJFDYTUANX-UHFFFAOYSA-N 0 3 217.312 2.898 20 10 BFCDHN CC1(C[N@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC000877703237 590395989 /nfs/dbraw/zinc/39/59/89/590395989.db2.gz XQMIZJFDYTUANX-UHFFFAOYSA-N 0 3 217.312 2.898 20 10 BFCDHN [O-]c1cccc2c1C[N@H+](CC1CCSCC1)C2 ZINC000877702574 590396646 /nfs/dbraw/zinc/39/66/46/590396646.db2.gz BWZBEZSUZXRSLJ-UHFFFAOYSA-N 0 3 249.379 2.851 20 10 BFCDHN [O-]c1cccc2c1C[N@@H+](CC1CCSCC1)C2 ZINC000877702574 590396649 /nfs/dbraw/zinc/39/66/49/590396649.db2.gz BWZBEZSUZXRSLJ-UHFFFAOYSA-N 0 3 249.379 2.851 20 10 BFCDHN Cc1cc(O)c(CN2CC(C)(C)C2)cc1C ZINC000877717315 590399738 /nfs/dbraw/zinc/39/97/38/590399738.db2.gz HSBXDIIRVHFCGV-UHFFFAOYSA-N 0 3 219.328 2.851 20 10 BFCDHN Cc1cc([O-])c(C[NH+]2CC(C)(C)C2)cc1C ZINC000877717315 590399742 /nfs/dbraw/zinc/39/97/42/590399742.db2.gz HSBXDIIRVHFCGV-UHFFFAOYSA-N 0 3 219.328 2.851 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740732 590409353 /nfs/dbraw/zinc/40/93/53/590409353.db2.gz TTWAKGDPYDLCTA-OLZOCXBDSA-N 0 3 249.379 2.577 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740732 590409354 /nfs/dbraw/zinc/40/93/54/590409354.db2.gz TTWAKGDPYDLCTA-OLZOCXBDSA-N 0 3 249.379 2.577 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000128445257 591055646 /nfs/dbraw/zinc/05/56/46/591055646.db2.gz GICRDPIIMIRCEP-WCQYABFASA-N 0 3 219.328 2.979 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000131147896 591559586 /nfs/dbraw/zinc/55/95/86/591559586.db2.gz ARBFLMKKEGKVHX-JQWIXIFHSA-N 0 3 235.327 2.679 20 10 BFCDHN C=C/C=C/CC[NH2+]Cc1c([O-])cccc1OC ZINC000883260942 591599042 /nfs/dbraw/zinc/59/90/42/591599042.db2.gz LKBNCRDAGKHPPC-SNAWJCMRSA-N 0 3 233.311 2.623 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)CCC(C)C)c1 ZINC000133558285 591825049 /nfs/dbraw/zinc/82/50/49/591825049.db2.gz YQYRHRAFWKIFPA-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)CCC(C)C)c1 ZINC000133558285 591825052 /nfs/dbraw/zinc/82/50/52/591825052.db2.gz YQYRHRAFWKIFPA-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000136403367 592117295 /nfs/dbraw/zinc/11/72/95/592117295.db2.gz PMKJTTDJXWBMMK-SNVBAGLBSA-N 0 3 205.301 2.528 20 10 BFCDHN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1(C)C ZINC000300417617 592512687 /nfs/dbraw/zinc/51/26/87/592512687.db2.gz JSQZWDXFEKFFIE-LERXQTSPSA-N 0 3 249.354 2.856 20 10 BFCDHN C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310555354 632755852 /nfs/dbraw/zinc/75/58/52/632755852.db2.gz IANFTUHSTXPXIP-DLOVCJGASA-N 0 3 249.379 2.863 20 10 BFCDHN CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccccc1[O-] ZINC000310583073 632759923 /nfs/dbraw/zinc/75/99/23/632759923.db2.gz SEIDQIWNNKXKNB-YPMHNXCESA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccccc2O)cn1 ZINC000153771314 632823944 /nfs/dbraw/zinc/82/39/44/632823944.db2.gz BFAPYUFDHQBPSI-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN C[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCO1 ZINC000311092419 633066120 /nfs/dbraw/zinc/06/61/20/633066120.db2.gz RCSCXKPOQWEDQH-IUODEOHRSA-N 0 3 247.338 2.538 20 10 BFCDHN CC(C)[C@@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000167193743 633126016 /nfs/dbraw/zinc/12/60/16/633126016.db2.gz OMQRSLAPTVFDJI-CQSZACIVSA-N 0 3 219.328 2.916 20 10 BFCDHN CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168795354 633151475 /nfs/dbraw/zinc/15/14/75/633151475.db2.gz WHGJFPDGIKGIQU-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN COc1ccc(CNCc2cc(C)ccc2O)o1 ZINC000895580487 636162681 /nfs/dbraw/zinc/16/26/81/636162681.db2.gz JPZHSXHFVSIWPY-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000310001830 634063327 /nfs/dbraw/zinc/06/33/27/634063327.db2.gz FENZBCUUSXGZFZ-STQMWFEESA-N 0 3 217.312 2.528 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCSC1)CC2 ZINC000310344660 634129909 /nfs/dbraw/zinc/12/99/09/634129909.db2.gz OWPDZLOTLDSINK-RYUDHWBXSA-N 0 3 249.379 2.865 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccccc1[O-] ZINC000191634155 634219355 /nfs/dbraw/zinc/21/93/55/634219355.db2.gz VRPYIVCUWVQGTP-GVXVVHGQSA-N 0 3 237.343 2.856 20 10 BFCDHN Cc1occc1CNCc1ccc(N(C)C)cc1 ZINC000067218047 635720527 /nfs/dbraw/zinc/72/05/27/635720527.db2.gz DQFMEHVBIUTVAF-UHFFFAOYSA-N 0 3 244.338 2.944 20 10 BFCDHN CC[C@@H](C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000054469253 636720113 /nfs/dbraw/zinc/72/01/13/636720113.db2.gz WPNVJNFBWQWESB-SNVBAGLBSA-N 0 3 223.316 2.537 20 10 BFCDHN COC/C(C)=C\C[NH2+][C@H](C)c1ccccc1[O-] ZINC000931554038 640272388 /nfs/dbraw/zinc/27/23/88/640272388.db2.gz KHRWXMUILVBKDO-NXIHDVOMSA-N 0 3 235.327 2.636 20 10 BFCDHN CC[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCO1 ZINC000163882665 640423994 /nfs/dbraw/zinc/42/39/94/640423994.db2.gz URQAEOFUXDXDJA-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cccc(C[NH2+]Cc2ccccc2[O-])c1O ZINC000164475813 640485915 /nfs/dbraw/zinc/48/59/15/640485915.db2.gz AKAJMKXFCZSZJO-UHFFFAOYSA-N 0 3 243.306 2.696 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1[O-] ZINC000157611025 640695655 /nfs/dbraw/zinc/69/56/55/640695655.db2.gz FOZBGNCVAOUENY-AGIUHOORSA-N 0 3 248.370 2.526 20 10 BFCDHN CC1(C)C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000226257628 640744155 /nfs/dbraw/zinc/74/41/55/640744155.db2.gz JZCCKKBNYTYPCC-NSHDSACASA-N 0 3 205.301 2.528 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1[O-] ZINC000087667548 640963499 /nfs/dbraw/zinc/96/34/99/640963499.db2.gz YMHFCQUMVGRTHP-QWRGUYRKSA-N 0 3 237.368 2.938 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2)c([O-])c1 ZINC000230672539 641078459 /nfs/dbraw/zinc/07/84/59/641078459.db2.gz VUONKPAGCVNYDA-QWHCGFSZSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@H]1COCCN1Cc1cc(C)c(C)cc1O ZINC000151870883 641470153 /nfs/dbraw/zinc/47/01/53/641470153.db2.gz RJBAIXTYSNXYNH-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN CSCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000068994011 642818261 /nfs/dbraw/zinc/81/82/61/642818261.db2.gz VNCNSDWBXBNDSF-JTQLQIEISA-N 0 3 225.357 2.714 20 10 BFCDHN Cc1ccc(O)c(CNCc2ccco2)c1 ZINC000070954468 643087185 /nfs/dbraw/zinc/08/71/85/643087185.db2.gz SJIBEVHSQAEKQM-UHFFFAOYSA-N 0 3 217.268 2.583 20 10 BFCDHN CC[C@H]([NH2+]CCCF)c1ccccc1[O-] ZINC000183345730 643107975 /nfs/dbraw/zinc/10/79/75/643107975.db2.gz KTXYHLXIMUIMOH-NSHDSACASA-N 0 3 211.280 2.793 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccccc1[O-] ZINC000252766400 643112512 /nfs/dbraw/zinc/11/25/12/643112512.db2.gz QHXVTPPJUSWDKV-MDZLAQPJSA-N 0 3 237.343 2.592 20 10 BFCDHN Cc1cncc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183631675 643150905 /nfs/dbraw/zinc/15/09/05/643150905.db2.gz XMYSGNWWTBKQJB-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@](C)(C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000322987082 643308394 /nfs/dbraw/zinc/30/83/94/643308394.db2.gz CBVHXLCTKOTERI-BXUZGUMPSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@H]([NH2+]CC1(CO)CCC1)c1ccccc1[O-] ZINC000186397338 643691945 /nfs/dbraw/zinc/69/19/45/643691945.db2.gz AKZPJYQXGVYWSR-ZDUSSCGKSA-N 0 3 249.354 2.596 20 10 BFCDHN C[N@H+](CCc1cncs1)Cc1ccccc1[O-] ZINC000839516425 644558652 /nfs/dbraw/zinc/55/86/52/644558652.db2.gz JLPGRTHCNHGJSN-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN C[N@@H+](CCc1cncs1)Cc1ccccc1[O-] ZINC000839516425 644558656 /nfs/dbraw/zinc/55/86/56/644558656.db2.gz JLPGRTHCNHGJSN-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)c([O-])c1 ZINC000094798044 644728529 /nfs/dbraw/zinc/72/85/29/644728529.db2.gz QNZIGIJGZVOTMU-IUODEOHRSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c([O-])c1 ZINC000094798045 644729299 /nfs/dbraw/zinc/72/92/99/644729299.db2.gz QNZIGIJGZVOTMU-SWLSCSKDSA-N 0 3 249.354 2.920 20 10 BFCDHN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccccc1[O-] ZINC000783516333 644756569 /nfs/dbraw/zinc/75/65/69/644756569.db2.gz GXUCFPUCSTUWPM-CHWSQXEVSA-N 0 3 248.370 2.527 20 10 BFCDHN Cc1ccnc(CN(C)Cc2ccccc2O)c1 ZINC000792249585 644796183 /nfs/dbraw/zinc/79/61/83/644796183.db2.gz LZTQNQFHFQROAY-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000927019834 645518919 /nfs/dbraw/zinc/51/89/19/645518919.db2.gz UUTMFFXNZXZPGQ-NWDGAFQWSA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@@H]([NH2+]CC[C@H](C)F)c1ccccc1[O-] ZINC000380316497 712882966 /nfs/dbraw/zinc/88/29/66/712882966.db2.gz JAZJJUYPCAPHBS-VHSXEESVSA-N 0 3 211.280 2.791 20 10 BFCDHN Cc1occc1C[NH2+]Cc1ccccc1[O-] ZINC000381482879 710645409 /nfs/dbraw/zinc/64/54/09/710645409.db2.gz FVBWIMPLCJTBFO-UHFFFAOYSA-N 0 3 217.268 2.583 20 10 BFCDHN CSC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381549294 710654580 /nfs/dbraw/zinc/65/45/80/710654580.db2.gz LXRARZFZBKUOIG-KOLCDFICSA-N 0 3 237.368 2.721 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000383943764 710986563 /nfs/dbraw/zinc/98/65/63/710986563.db2.gz FLEPMNGSNIPHBG-SNVBAGLBSA-N 0 3 245.244 2.809 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@H](C)O1 ZINC000384672641 710996173 /nfs/dbraw/zinc/99/61/73/710996173.db2.gz YHAQSMQLAXCEAF-DNIRFERGSA-N 0 3 247.338 2.535 20 10 BFCDHN CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000388267787 711056226 /nfs/dbraw/zinc/05/62/26/711056226.db2.gz DIDTWKHXNARCIC-RWSFTLGLSA-N 0 3 249.354 2.856 20 10 BFCDHN C[C@@H]([NH2+]CCCCF)c1cc(F)ccc1[O-] ZINC000390632502 711129646 /nfs/dbraw/zinc/12/96/46/711129646.db2.gz IVJGKGSKSOEGBI-SECBINFHSA-N 0 3 229.270 2.932 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c([O-])c1 ZINC000393967057 711180260 /nfs/dbraw/zinc/18/02/60/711180260.db2.gz RNITXIFCRMPMRA-QWRGUYRKSA-N 0 3 237.343 2.511 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1ccccc1[O-] ZINC000393967099 711180582 /nfs/dbraw/zinc/18/05/82/711180582.db2.gz RRTSAAURDYZFHN-PWSUYJOCSA-N 0 3 237.343 2.592 20 10 BFCDHN COc1cccc(C[N@H+](C)C(C)(C)C)c1[O-] ZINC000394387649 711191106 /nfs/dbraw/zinc/19/11/06/711191106.db2.gz XXQVRUXURSZXDR-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN COc1cccc(C[N@@H+](C)C(C)(C)C)c1[O-] ZINC000394387649 711191113 /nfs/dbraw/zinc/19/11/13/711191113.db2.gz XXQVRUXURSZXDR-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c([O-])c1 ZINC000396568628 711355222 /nfs/dbraw/zinc/35/52/22/711355222.db2.gz YTVGTTKMNDXMDI-RYUDHWBXSA-N 0 3 249.354 2.919 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1[O-] ZINC000398018086 711399332 /nfs/dbraw/zinc/39/93/32/711399332.db2.gz ARPGIPQBGGCPJO-GRYCIOLGSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@@H](O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000398536204 711412261 /nfs/dbraw/zinc/41/22/61/711412261.db2.gz ZJEAQUGRKUCWTA-CHWSQXEVSA-N 0 3 249.354 2.520 20 10 BFCDHN CCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])COC1 ZINC000393987935 710836046 /nfs/dbraw/zinc/83/60/46/710836046.db2.gz NJYVQTDXUAZBDK-GFCCVEGCSA-N 0 3 249.354 2.778 20 10 BFCDHN C/C=C\C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000384919341 711000291 /nfs/dbraw/zinc/00/02/91/711000291.db2.gz QYMVZQSYUXLNBD-OTDNITJGSA-N 0 3 203.285 2.545 20 10 BFCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000384945242 711000978 /nfs/dbraw/zinc/00/09/78/711000978.db2.gz URCGQMDFIFNNHE-UZWSLXQKSA-N 0 3 235.327 2.609 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)c([O-])c1 ZINC000397337210 711381821 /nfs/dbraw/zinc/38/18/21/711381821.db2.gz ZNWMXCMCTJXUPZ-DOMZBBRYSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@H]([NH2+]CC1(N(C)C)CC1)c1ccccc1[O-] ZINC000397856536 711394514 /nfs/dbraw/zinc/39/45/14/711394514.db2.gz MNELYMZFLIARDN-ZDUSSCGKSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1[O-] ZINC000397888228 711395549 /nfs/dbraw/zinc/39/55/49/711395549.db2.gz ONNWCARMJGEYKP-VWYCJHECSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@H]([NH2+]CCN1CCCCC1)c1ccccc1[O-] ZINC000049574587 711449692 /nfs/dbraw/zinc/44/96/92/711449692.db2.gz TXLHATKYSAYDTO-ZDUSSCGKSA-N 0 3 248.370 2.529 20 10 BFCDHN C[C@H](CC(C)(C)O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296367454 711507524 /nfs/dbraw/zinc/50/75/24/711507524.db2.gz JASLLTSUSXNEPN-PWSUYJOCSA-N 0 3 249.354 2.519 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCC1CC=CC1 ZINC000724184286 711566988 /nfs/dbraw/zinc/56/69/88/711566988.db2.gz YYGPUAREKOSSQG-UHFFFAOYSA-N 0 3 217.312 2.838 20 10 BFCDHN COc1ccc(CNCc2ccc(C)o2)c(O)c1 ZINC000053036878 711648661 /nfs/dbraw/zinc/64/86/61/711648661.db2.gz YRUPUWGEVBZPAQ-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1[O-] ZINC000389651505 711787382 /nfs/dbraw/zinc/78/73/82/711787382.db2.gz WHEFOXZDZUZPMX-JBLDHEPKSA-N 0 3 205.301 2.841 20 10 BFCDHN C[C@@H](NCCc1ccc(N)cc1)c1cscn1 ZINC000700455415 711995767 /nfs/dbraw/zinc/99/57/67/711995767.db2.gz QTMQGPCVMFRMQT-SNVBAGLBSA-N 0 3 247.367 2.619 20 10 BFCDHN C[C@H]([NH2+]CCc1ccoc1)c1ccccc1[O-] ZINC000701434757 712022784 /nfs/dbraw/zinc/02/27/84/712022784.db2.gz AOAHUZLBFLPRII-NSHDSACASA-N 0 3 231.295 2.879 20 10 BFCDHN CC[C@@H]([NH2+]CCC1CC(O)C1)c1ccccc1[O-] ZINC000702440180 712053919 /nfs/dbraw/zinc/05/39/19/712053919.db2.gz IPBJRVMMZZQYMO-ORHYLEIMSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c([O-])c1 ZINC000710163086 712246838 /nfs/dbraw/zinc/24/68/38/712246838.db2.gz WGNJTXAVQLOGOE-VXGBXAGGSA-N 0 3 249.354 2.512 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711485061 712306116 /nfs/dbraw/zinc/30/61/16/712306116.db2.gz WDFPXFQJBWNBDI-CYBMUJFWSA-N 0 3 247.338 2.584 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CC13CC3)CC2 ZINC000715302745 712516003 /nfs/dbraw/zinc/51/60/03/712516003.db2.gz KGUMYIFVNCQLNM-CMPLNLGQSA-N 0 3 215.296 2.522 20 10 BFCDHN COCC1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000825245491 712591967 /nfs/dbraw/zinc/59/19/67/712591967.db2.gz KNAWUMCPJQJBHZ-UHFFFAOYSA-N 0 3 249.354 2.689 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)c([O-])c1 ZINC000717617666 712662789 /nfs/dbraw/zinc/66/27/89/712662789.db2.gz YLGURAUVDZENKA-RISCZKNCSA-N 0 3 249.354 2.512 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1(C2CC2)CCC1 ZINC000717886148 712731399 /nfs/dbraw/zinc/73/13/99/712731399.db2.gz ZOVKKEPQLDGXNK-UHFFFAOYSA-N 0 3 217.312 2.815 20 10 BFCDHN CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000718742690 712779949 /nfs/dbraw/zinc/77/99/49/712779949.db2.gz ZGOWWVNRCLAVRC-UONOGXRCSA-N 0 3 249.354 2.830 20 10 BFCDHN CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000718742687 712779984 /nfs/dbraw/zinc/77/99/84/712779984.db2.gz ZGOWWVNRCLAVRC-KGLIPLIRSA-N 0 3 249.354 2.830 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)c([O-])c1 ZINC000038095888 712807897 /nfs/dbraw/zinc/80/78/97/712807897.db2.gz XJDALQCGBLXXNU-CHWSQXEVSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccccc1[O-] ZINC000719550656 712809170 /nfs/dbraw/zinc/80/91/70/712809170.db2.gz HRJMHKXLATTXGZ-FPMFFAJLSA-N 0 3 248.370 2.526 20 10 BFCDHN COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000720137473 712827783 /nfs/dbraw/zinc/82/77/83/712827783.db2.gz GZPZKCUMHDHNSN-QWRGUYRKSA-N 0 3 237.343 2.856 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+](C)CC(C)C)c1[O-] ZINC001238055758 980132440 /nfs/dbraw/zinc/13/24/40/980132440.db2.gz DEHPVHJEOOWHLZ-UHFFFAOYSA-N 0 3 225.307 2.928 20 10 BFCDHN Cc1cc(F)cc(C[N@H+](C)CC(C)C)c1[O-] ZINC001238055758 980132441 /nfs/dbraw/zinc/13/24/41/980132441.db2.gz DEHPVHJEOOWHLZ-UHFFFAOYSA-N 0 3 225.307 2.928 20 10 BFCDHN CCC[N@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238054381 980132650 /nfs/dbraw/zinc/13/26/50/980132650.db2.gz AEULBBLBHQQOKI-UHFFFAOYSA-N 0 3 211.280 2.682 20 10 BFCDHN CCC[N@@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238054381 980132653 /nfs/dbraw/zinc/13/26/53/980132653.db2.gz AEULBBLBHQQOKI-UHFFFAOYSA-N 0 3 211.280 2.682 20 10 BFCDHN C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1[O-] ZINC000402174342 970769323 /nfs/dbraw/zinc/76/93/23/970769323.db2.gz XQKHCQAFSFRILS-STQMWFEESA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccccc1[O-] ZINC000403817776 971071244 /nfs/dbraw/zinc/07/12/44/971071244.db2.gz LBQONEZMWGVNFR-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccccc1[O-] ZINC000403817776 971071255 /nfs/dbraw/zinc/07/12/55/971071255.db2.gz LBQONEZMWGVNFR-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCCSC1)CC2 ZINC001257681376 971485138 /nfs/dbraw/zinc/48/51/38/971485138.db2.gz OOAZZNYPVRUDBI-GFCCVEGCSA-N 0 3 249.379 2.646 20 10 BFCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCCSC1)CC2 ZINC001257681376 971485145 /nfs/dbraw/zinc/48/51/45/971485145.db2.gz OOAZZNYPVRUDBI-GFCCVEGCSA-N 0 3 249.379 2.646 20 10 BFCDHN CS[C@@H](C)CC[N@H+](C)Cc1ccccc1[O-] ZINC001208156741 957038279 /nfs/dbraw/zinc/03/82/79/957038279.db2.gz YKZJDFOZJUSRSB-NSHDSACASA-N 0 3 239.384 2.966 20 10 BFCDHN CS[C@@H](C)CC[N@@H+](C)Cc1ccccc1[O-] ZINC001208156741 957038294 /nfs/dbraw/zinc/03/82/94/957038294.db2.gz YKZJDFOZJUSRSB-NSHDSACASA-N 0 3 239.384 2.966 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000693121185 957683739 /nfs/dbraw/zinc/68/37/39/957683739.db2.gz IKKWTWKINFBODI-NEPJUHHUSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000693121192 957684826 /nfs/dbraw/zinc/68/48/26/957684826.db2.gz IKKWTWKINFBODI-NWDGAFQWSA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccccc1[O-] ZINC000316763170 972294159 /nfs/dbraw/zinc/29/41/59/972294159.db2.gz NMUFNFODOOCCNN-ZFWWWQNUSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H](Cc1ccccn1)[NH2+]Cc1ccccc1[O-] ZINC000694022008 959675615 /nfs/dbraw/zinc/67/56/15/959675615.db2.gz LQKLFKSAGIVABH-GFCCVEGCSA-N 0 3 242.322 2.508 20 10 BFCDHN Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001140948453 960744668 /nfs/dbraw/zinc/74/46/68/960744668.db2.gz IOKIEIKHCKYIED-STQMWFEESA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c([O-])c1 ZINC001140947748 960745033 /nfs/dbraw/zinc/74/50/33/960745033.db2.gz DDLYNNNEMVMDMB-CQSZACIVSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@](C)(CF)C2)c([O-])c1 ZINC001140947748 960745043 /nfs/dbraw/zinc/74/50/43/960745043.db2.gz DDLYNNNEMVMDMB-CQSZACIVSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(CN2CCOC[C@H]2C(C)C)c(O)c1 ZINC001140950967 960752033 /nfs/dbraw/zinc/75/20/33/960752033.db2.gz RDRIDUIOMQZVJM-AWEZNQCLSA-N 0 3 249.354 2.557 20 10 BFCDHN CC(=O)[C@H]1CCCCN1Cc1ccc(C)cc1O ZINC001140957664 960761622 /nfs/dbraw/zinc/76/16/22/960761622.db2.gz HPWKAXXTCLLBNQ-CQSZACIVSA-N 0 3 247.338 2.644 20 10 BFCDHN CN(Cc1cccs1)Cc1cc(O)ccc1O ZINC001141158485 960897745 /nfs/dbraw/zinc/89/77/45/960897745.db2.gz AXCINNALCCRMFJ-UHFFFAOYSA-N 0 3 249.335 2.791 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](C)C1 ZINC001168136491 963832771 /nfs/dbraw/zinc/83/27/71/963832771.db2.gz KHEZCUXAVQOMJE-TZMCWYRMSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](C)C1 ZINC001168136491 963832775 /nfs/dbraw/zinc/83/27/75/963832775.db2.gz KHEZCUXAVQOMJE-TZMCWYRMSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1cc(C)c(CNc2cccc(N)n2)c(O)c1 ZINC001160807798 964412634 /nfs/dbraw/zinc/41/26/34/964412634.db2.gz DZTQEUBNHSRFHM-UHFFFAOYSA-N 0 3 243.310 2.598 20 10 BFCDHN COc1ccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000697926558 964735885 /nfs/dbraw/zinc/73/58/85/964735885.db2.gz LZWNQHSCMBWLQF-LMKPVCQUSA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1ccccc1[O-] ZINC000696140083 965245599 /nfs/dbraw/zinc/24/55/99/965245599.db2.gz XDRQYFWBZZCSIT-YPMHNXCESA-N 0 3 249.354 2.594 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001203549935 966683217 /nfs/dbraw/zinc/68/32/17/966683217.db2.gz DEPQHUSIYBEPSJ-GFCCVEGCSA-N 0 3 223.291 2.716 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001203549935 966683222 /nfs/dbraw/zinc/68/32/22/966683222.db2.gz DEPQHUSIYBEPSJ-GFCCVEGCSA-N 0 3 223.291 2.716 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001203556210 966688332 /nfs/dbraw/zinc/68/83/32/966688332.db2.gz OGOVRSHBDOECSL-NSHDSACASA-N 0 3 241.281 2.869 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001203556210 966688340 /nfs/dbraw/zinc/68/83/40/966688340.db2.gz OGOVRSHBDOECSL-NSHDSACASA-N 0 3 241.281 2.869 20 10 BFCDHN COc1ccc(C[N@H+](C)C[C@H]2CC2(C)C)c([O-])c1 ZINC001203629377 966715170 /nfs/dbraw/zinc/71/51/70/966715170.db2.gz YYIHFWBYMNNILA-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)c([O-])c1 ZINC001203629377 966715179 /nfs/dbraw/zinc/71/51/79/966715179.db2.gz YYIHFWBYMNNILA-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN CCCC[N@H+](CC)Cc1ccc(O)cc1[O-] ZINC001204272012 966955754 /nfs/dbraw/zinc/95/57/54/966955754.db2.gz GWBRAIZMVCVSSG-UHFFFAOYSA-N 0 3 223.316 2.720 20 10 BFCDHN CCCC[N@@H+](CC)Cc1ccc(O)cc1[O-] ZINC001204272012 966955759 /nfs/dbraw/zinc/95/57/59/966955759.db2.gz GWBRAIZMVCVSSG-UHFFFAOYSA-N 0 3 223.316 2.720 20 10 BFCDHN COc1cc(C)c(C[NH2+]CC2CC(C)C2)c([O-])c1 ZINC001206769310 968461216 /nfs/dbraw/zinc/46/12/16/968461216.db2.gz ABQWXIHXARAJDV-UHFFFAOYSA-N 0 3 249.354 2.845 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccccc2O)[nH]1 ZINC001209578657 969562261 /nfs/dbraw/zinc/56/22/61/969562261.db2.gz MCTGXRCRYQPIJL-UHFFFAOYSA-N 0 3 230.311 2.661 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1[O-] ZINC000402058855 970759681 /nfs/dbraw/zinc/75/96/81/970759681.db2.gz SSQOSJXADKIHFO-LOWVWBTDSA-N 0 3 235.327 2.610 20 10 BFCDHN CO[C@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001172947556 975002963 /nfs/dbraw/zinc/00/29/63/975002963.db2.gz ZTAOOGCJEUWGPJ-KGLIPLIRSA-N 0 3 249.354 2.782 20 10 BFCDHN CO[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001172947556 975002972 /nfs/dbraw/zinc/00/29/72/975002972.db2.gz ZTAOOGCJEUWGPJ-KGLIPLIRSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173264077 975122160 /nfs/dbraw/zinc/12/21/60/975122160.db2.gz QTURRXJXPOCJDQ-CMPLNLGQSA-N 0 3 235.327 2.766 20 10 BFCDHN Cc1cnccc1N(C)c1ccc(N)cc1 ZINC001174538463 976825858 /nfs/dbraw/zinc/82/58/58/976825858.db2.gz GCWDTBXXDGMLKK-UHFFFAOYSA-N 0 3 213.284 2.740 20 10 BFCDHN Cc1cc(Nc2cccc(Cl)c2[O-])cc[nH+]1 ZINC001174655722 976947699 /nfs/dbraw/zinc/94/76/99/976947699.db2.gz RCJLGVGEEYNCNL-UHFFFAOYSA-N 0 3 234.686 2.915 20 10 BFCDHN CC(C)(CF)NCc1ccc2c(c1)CCCO2 ZINC001335394711 977023110 /nfs/dbraw/zinc/02/31/10/977023110.db2.gz ZQTLIXOGHIKAFO-UHFFFAOYSA-N 0 3 237.318 2.849 20 10 BFCDHN C[C@@H](c1ccccn1)N(C)Cc1ccc(N)cc1 ZINC001336117971 977518507 /nfs/dbraw/zinc/51/85/07/977518507.db2.gz SJGHNMWMZJAYFV-LBPRGKRZSA-N 0 3 241.338 2.857 20 10 BFCDHN Cc1cccc(CN2CCc3occc3C2)c1O ZINC001231594233 977641718 /nfs/dbraw/zinc/64/17/18/977641718.db2.gz ZDOWQBIAKJJSJQ-UHFFFAOYSA-N 0 3 243.306 2.852 20 10 BFCDHN CCc1ccc(C[NH+]2CCC(F)CC2)c([O-])c1 ZINC001236782904 979721157 /nfs/dbraw/zinc/72/11/57/979721157.db2.gz GSPANIIULCICIE-UHFFFAOYSA-N 0 3 237.318 2.889 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2C)c([O-])c1 ZINC001236814187 979746516 /nfs/dbraw/zinc/74/65/16/979746516.db2.gz QFNBBNDIBFEWQM-LLVKDONJSA-N 0 3 235.327 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2C)c([O-])c1 ZINC001236814187 979746524 /nfs/dbraw/zinc/74/65/24/979746524.db2.gz QFNBBNDIBFEWQM-LLVKDONJSA-N 0 3 235.327 2.694 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236815760 979747549 /nfs/dbraw/zinc/74/75/49/979747549.db2.gz NZNBLEACQCXAOP-GFCCVEGCSA-N 0 3 249.354 2.941 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236815760 979747552 /nfs/dbraw/zinc/74/75/52/979747552.db2.gz NZNBLEACQCXAOP-GFCCVEGCSA-N 0 3 249.354 2.941 20 10 BFCDHN CC(C)c1ccc(C[NH+]2CC(C)C2)c([O-])c1 ZINC001237046220 979806134 /nfs/dbraw/zinc/80/61/34/979806134.db2.gz ROQPDVZZOQZMSA-UHFFFAOYSA-N 0 3 219.328 2.967 20 10 BFCDHN CCC[N@@H+](CCOC)Cc1c(C)cccc1[O-] ZINC001237483929 979912328 /nfs/dbraw/zinc/91/23/28/979912328.db2.gz WDOXHTPVRPIOGL-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CCC[N@H+](CCOC)Cc1c(C)cccc1[O-] ZINC001237483929 979912319 /nfs/dbraw/zinc/91/23/19/979912319.db2.gz WDOXHTPVRPIOGL-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001237484818 979913249 /nfs/dbraw/zinc/91/32/49/979913249.db2.gz ICSAKLQDUPFCAY-AWEZNQCLSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(CF)C1 ZINC001237484818 979913264 /nfs/dbraw/zinc/91/32/64/979913264.db2.gz ICSAKLQDUPFCAY-AWEZNQCLSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc(O)c1CN1CCc2occc2C1 ZINC001237493510 979918340 /nfs/dbraw/zinc/91/83/40/979918340.db2.gz YUKAXFBSOVOHEH-UHFFFAOYSA-N 0 3 243.306 2.852 20 10 BFCDHN CC(C)CC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201626182 983382009 /nfs/dbraw/zinc/38/20/09/983382009.db2.gz AWJGARLHGRHFHB-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CC(C)CC[N@H+]1CCc2cccc([O-])c2C1 ZINC001201626182 983382017 /nfs/dbraw/zinc/38/20/17/983382017.db2.gz AWJGARLHGRHFHB-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000686518942 985125498 /nfs/dbraw/zinc/12/54/98/985125498.db2.gz VTBAKYLYQAEAHA-FVCCEPFGSA-N 0 3 249.354 2.856 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000686518944 985127152 /nfs/dbraw/zinc/12/71/52/985127152.db2.gz VTBAKYLYQAEAHA-YVECIDJPSA-N 0 3 249.354 2.856 20 10 BFCDHN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1[O-] ZINC000688275444 985594711 /nfs/dbraw/zinc/59/47/11/985594711.db2.gz YGOASSFQCNEASK-VXGBXAGGSA-N 0 3 247.338 2.754 20 10 BFCDHN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1[O-] ZINC000688275440 985595185 /nfs/dbraw/zinc/59/51/85/985595185.db2.gz YGOASSFQCNEASK-NWDGAFQWSA-N 0 3 247.338 2.754 20 10 BFCDHN C[C@@H](CC1CC1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001258469740 985929083 /nfs/dbraw/zinc/92/90/83/985929083.db2.gz ATTDBDPEPWPLPF-NSHDSACASA-N 0 3 231.339 2.939 20 10 BFCDHN C[C@@H](CC1CC1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001258469740 985929091 /nfs/dbraw/zinc/92/90/91/985929091.db2.gz ATTDBDPEPWPLPF-NSHDSACASA-N 0 3 231.339 2.939 20 10 BFCDHN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CC1(F)F ZINC000689186253 986378424 /nfs/dbraw/zinc/37/84/24/986378424.db2.gz PPJVWTCXPGRIPJ-NSHDSACASA-N 0 3 245.244 2.666 20 10 BFCDHN CC1([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC001117831305 987944759 /nfs/dbraw/zinc/94/47/59/987944759.db2.gz MCDJOMSAICCYBN-JTQLQIEISA-N 0 3 203.285 2.522 20 10 BFCDHN CCOc1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001325496365 989200465 /nfs/dbraw/zinc/20/04/65/989200465.db2.gz CTSNCFGAIIRMFI-UHFFFAOYSA-N 0 3 248.370 2.616 20 10 BFCDHN COc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC001308941159 991229401 /nfs/dbraw/zinc/22/94/01/991229401.db2.gz ZVEMBLSETCMSBM-ZYHUDNBSSA-N 0 3 249.354 2.987 20 10 BFCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C2(CC2)C1 ZINC001140060431 991510113 /nfs/dbraw/zinc/51/01/13/991510113.db2.gz VQRDZIXIDALVAT-SNVBAGLBSA-N 0 3 235.302 2.906 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C2(CC2)C1 ZINC001140060431 991510123 /nfs/dbraw/zinc/51/01/23/991510123.db2.gz VQRDZIXIDALVAT-SNVBAGLBSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001140057696 991511361 /nfs/dbraw/zinc/51/13/61/991511361.db2.gz KPAJJMAGFRZJAO-LLVKDONJSA-N 0 3 241.281 2.855 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140057696 991511372 /nfs/dbraw/zinc/51/13/72/991511372.db2.gz KPAJJMAGFRZJAO-LLVKDONJSA-N 0 3 241.281 2.855 20 10 BFCDHN COc1ccc(C[N@@H+]2CC3CCC2CC3)c([O-])c1 ZINC000386573674 993692613 /nfs/dbraw/zinc/69/26/13/993692613.db2.gz YBNAMBYZNXYPGL-UHFFFAOYSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc(C[N@H+]2CC3CCC2CC3)c([O-])c1 ZINC000386573674 993692618 /nfs/dbraw/zinc/69/26/18/993692618.db2.gz YBNAMBYZNXYPGL-UHFFFAOYSA-N 0 3 247.338 2.775 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C)cc1C ZINC000173529224 178194869 /nfs/dbraw/zinc/19/48/69/178194869.db2.gz ONOZJGCXSYXOHC-GFCCVEGCSA-N 0 3 219.328 2.993 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C)cc1C ZINC000173529224 178194874 /nfs/dbraw/zinc/19/48/74/178194874.db2.gz ONOZJGCXSYXOHC-GFCCVEGCSA-N 0 3 219.328 2.993 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)C2)cc1C ZINC000263657758 178195461 /nfs/dbraw/zinc/19/54/61/178195461.db2.gz CHTROGNHKKIVNI-SNVBAGLBSA-N 0 3 219.328 2.851 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000263657758 178195462 /nfs/dbraw/zinc/19/54/62/178195462.db2.gz CHTROGNHKKIVNI-SNVBAGLBSA-N 0 3 219.328 2.851 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCOC2(C)C)cc1C ZINC000294866677 178196878 /nfs/dbraw/zinc/19/68/78/178196878.db2.gz UGRNQIQTQZUEDC-AWEZNQCLSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1C ZINC000271307827 178197033 /nfs/dbraw/zinc/19/70/33/178197033.db2.gz WATLPLHEXUIJFG-GXTWGEPZSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC2(C)C)cc1C ZINC000294866681 178197939 /nfs/dbraw/zinc/19/79/39/178197939.db2.gz UGRNQIQTQZUEDC-CQSZACIVSA-N 0 3 249.354 2.666 20 10 BFCDHN CCC(CC)C[NH2+]Cc1ccccc1[O-] ZINC000122809979 168361726 /nfs/dbraw/zinc/36/17/26/168361726.db2.gz LKKWPLOVGVZRAK-UHFFFAOYSA-N 0 3 207.317 2.918 20 10 BFCDHN CCOc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1[O-] ZINC000134228245 398242226 /nfs/dbraw/zinc/24/22/26/398242226.db2.gz PMAMWEHZEKBVBH-JQWIXIFHSA-N 0 3 235.327 2.537 20 10 BFCDHN CCC(CC)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019883888 168390048 /nfs/dbraw/zinc/39/00/48/168390048.db2.gz LNWBQXLTOXULFW-UHFFFAOYSA-N 0 3 223.316 2.679 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000124384293 398338918 /nfs/dbraw/zinc/33/89/18/398338918.db2.gz YMFDEJORJDNWDO-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2C)c1 ZINC000124384293 398338919 /nfs/dbraw/zinc/33/89/19/398338919.db2.gz YMFDEJORJDNWDO-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[NH2+]CCC(C)C)c1[O-] ZINC000019911968 342962866 /nfs/dbraw/zinc/96/28/66/342962866.db2.gz LLGXUELBTAZJDI-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN CC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019882436 342961254 /nfs/dbraw/zinc/96/12/54/342961254.db2.gz GKLQYRWDHCHDHX-NXEZZACHSA-N 0 3 223.316 2.850 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1[O-] ZINC000019963758 342965341 /nfs/dbraw/zinc/96/53/41/342965341.db2.gz VVKCTSWDFUDJKJ-DGCLKSJQSA-N 0 3 235.327 2.612 20 10 BFCDHN COC[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000045657298 343532360 /nfs/dbraw/zinc/53/23/60/343532360.db2.gz XEINJWIJBWXEKB-VXGBXAGGSA-N 0 3 237.343 2.634 20 10 BFCDHN COC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000045656885 343532409 /nfs/dbraw/zinc/53/24/09/343532409.db2.gz HKHNHVBZNHFJBY-NEPJUHHUSA-N 0 3 237.343 2.634 20 10 BFCDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])CC1CC1 ZINC000180232626 347019421 /nfs/dbraw/zinc/01/94/21/347019421.db2.gz HTGGTNVFRYRNFX-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[N@H+](Cc1cc(OC)ccc1[O-])CC1CC1 ZINC000180232626 347019422 /nfs/dbraw/zinc/01/94/22/347019422.db2.gz HTGGTNVFRYRNFX-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000070955742 178798692 /nfs/dbraw/zinc/79/86/92/178798692.db2.gz XBERAGVIKDVRBH-WCQYABFASA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCSC2)c([O-])c1 ZINC000230667664 178899905 /nfs/dbraw/zinc/89/99/05/178899905.db2.gz TYZQCZARBWVOOQ-QWRGUYRKSA-N 0 3 237.368 2.857 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000273496225 178897335 /nfs/dbraw/zinc/89/73/35/178897335.db2.gz PFVOWQOLHOLORU-FRRDWIJNSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1cccc(CN(C)Cc2ccncc2)c1O ZINC000183743974 179069592 /nfs/dbraw/zinc/06/95/92/179069592.db2.gz UDGKLLIIVHYYOG-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN Cc1cccc(C[N@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000124592504 179065205 /nfs/dbraw/zinc/06/52/05/179065205.db2.gz KEBKFYFZTGKXBF-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(C[N@@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000124592504 179065210 /nfs/dbraw/zinc/06/52/10/179065210.db2.gz KEBKFYFZTGKXBF-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(C[N@H+](C)C[C@H]2CCCCO2)c1[O-] ZINC000124569715 179067344 /nfs/dbraw/zinc/06/73/44/179067344.db2.gz VGXADUDSFBAOHB-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(C[N@@H+](C)C[C@H]2CCCCO2)c1[O-] ZINC000124569715 179067346 /nfs/dbraw/zinc/06/73/46/179067346.db2.gz VGXADUDSFBAOHB-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCS[C@H](C)C2)c1[O-] ZINC000180041332 179078259 /nfs/dbraw/zinc/07/82/59/179078259.db2.gz QBOTTYODLFPWMP-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[N@H+]2CCS[C@H](C)C2)c1[O-] ZINC000180041332 179078260 /nfs/dbraw/zinc/07/82/60/179078260.db2.gz QBOTTYODLFPWMP-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1[O-] ZINC000224908521 179096075 /nfs/dbraw/zinc/09/60/75/179096075.db2.gz HBAJJDBDWNNEJZ-LBPRGKRZSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2CC2(C)C)c1[O-] ZINC000162829266 179097292 /nfs/dbraw/zinc/09/72/92/179097292.db2.gz ZIFCCBIEACLBDS-LLVKDONJSA-N 0 3 205.301 2.589 20 10 BFCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000179912674 346741716 /nfs/dbraw/zinc/74/17/16/346741716.db2.gz LOHSBLCBBSQCCU-UHFFFAOYSA-N 0 3 211.280 2.762 20 10 BFCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000179912674 346741718 /nfs/dbraw/zinc/74/17/18/346741718.db2.gz LOHSBLCBBSQCCU-UHFFFAOYSA-N 0 3 211.280 2.762 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1[O-] ZINC000229564796 350579891 /nfs/dbraw/zinc/57/98/91/350579891.db2.gz JEMGKUIWUBZERY-GXFFZTMASA-N 0 3 245.326 2.917 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1[O-] ZINC000229562372 350579968 /nfs/dbraw/zinc/57/99/68/350579968.db2.gz SUSOWUVBSRDURM-CMPLNLGQSA-N 0 3 237.368 2.938 20 10 BFCDHN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186506600 188000100 /nfs/dbraw/zinc/00/01/00/188000100.db2.gz CFMWKXSKJADVCF-WWKJKZQJSA-N 0 3 249.354 2.678 20 10 BFCDHN CC(C)(C)[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000280589410 188383256 /nfs/dbraw/zinc/38/32/56/188383256.db2.gz XIHCHINJZSDASI-CQSZACIVSA-N 0 3 249.354 2.639 20 10 BFCDHN CC/C=C/C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296624274 535245593 /nfs/dbraw/zinc/24/55/93/535245593.db2.gz XBDKNZHLRRIHCL-AAOUONPWSA-N 0 3 217.312 2.935 20 10 BFCDHN CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000248531676 359273578 /nfs/dbraw/zinc/27/35/78/359273578.db2.gz PIZNCZPIFFVWHE-OLZOCXBDSA-N 0 3 248.370 2.527 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCOCC1)CC2 ZINC000296648371 364784807 /nfs/dbraw/zinc/78/48/07/364784807.db2.gz DGJKKTXDUJJYMX-STQMWFEESA-N 0 3 247.338 2.538 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c([O-])c1 ZINC000296642565 364785551 /nfs/dbraw/zinc/78/55/51/364785551.db2.gz YFRIWBWKBGKHQS-SMDDNHRTSA-N 0 3 249.354 2.919 20 10 BFCDHN CC1CC([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296877142 364786950 /nfs/dbraw/zinc/78/69/50/364786950.db2.gz OAOVUZRAVHPPJY-QEWOUOOISA-N 0 3 217.312 2.768 20 10 BFCDHN CCC[N@H+](C)Cc1cc(OCC)ccc1[O-] ZINC000127567929 169080687 /nfs/dbraw/zinc/08/06/87/169080687.db2.gz TXFAHENPIFFFCH-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCC[N@@H+](C)Cc1cc(OCC)ccc1[O-] ZINC000127567929 169080688 /nfs/dbraw/zinc/08/06/88/169080688.db2.gz TXFAHENPIFFFCH-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186627022 183274993 /nfs/dbraw/zinc/27/49/93/183274993.db2.gz TVMOZHPJXKYULI-UHFFFAOYSA-N 0 3 235.302 2.907 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000186627022 183274997 /nfs/dbraw/zinc/27/49/97/183274997.db2.gz TVMOZHPJXKYULI-UHFFFAOYSA-N 0 3 235.302 2.907 20 10 BFCDHN [O-]c1cc2c(cc1C[NH2+]C1CCCCC1)OCO2 ZINC000042879019 183261186 /nfs/dbraw/zinc/26/11/86/183261186.db2.gz RKWPBIJGXZBVQE-UHFFFAOYSA-N 0 3 249.310 2.543 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCCC1)CC2 ZINC000258189277 183297137 /nfs/dbraw/zinc/29/71/37/183297137.db2.gz CTYUEAODUAOVPM-LBPRGKRZSA-N 0 3 217.312 2.912 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccnc1)CC2 ZINC000296132473 183297775 /nfs/dbraw/zinc/29/77/75/183297775.db2.gz VVLHJJGCOMDWSB-CYBMUJFWSA-N 0 3 240.306 2.564 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000378494361 183301578 /nfs/dbraw/zinc/30/15/78/183301578.db2.gz LBLGMPNACMTZSX-CYBMUJFWSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000378494361 183301580 /nfs/dbraw/zinc/30/15/80/183301580.db2.gz LBLGMPNACMTZSX-CYBMUJFWSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000132776310 183302396 /nfs/dbraw/zinc/30/23/96/183302396.db2.gz FHUWVJGXAWDAJS-RYUDHWBXSA-N 0 3 217.312 2.624 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCc1ccc(F)cc1 ZINC000019904049 183304029 /nfs/dbraw/zinc/30/40/29/183304029.db2.gz REHGCSLNYITZLJ-UHFFFAOYSA-N 0 3 245.297 2.864 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCc1ccccc1F ZINC000019912656 183304095 /nfs/dbraw/zinc/30/40/95/183304095.db2.gz OCNIETPOFVXCTJ-UHFFFAOYSA-N 0 3 245.297 2.864 20 10 BFCDHN CCC[C@@H](C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000289404805 169360194 /nfs/dbraw/zinc/36/01/94/169360194.db2.gz GZPYSQVFAQSWMP-LLVKDONJSA-N 0 3 237.343 2.927 20 10 BFCDHN C[C@H](CC1CC1)[NH2+]Cc1ccccc1[O-] ZINC000069663284 383837721 /nfs/dbraw/zinc/83/77/21/383837721.db2.gz WFGPBBGJMUBXRG-SNVBAGLBSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@@H](CC1CC1)[NH2+]Cc1ccccc1[O-] ZINC000069663282 383837779 /nfs/dbraw/zinc/83/77/79/383837779.db2.gz WFGPBBGJMUBXRG-JTQLQIEISA-N 0 3 205.301 2.670 20 10 BFCDHN CC[C@@H]([NH2+]CCCCCO)c1ccccc1[O-] ZINC000090730268 384070877 /nfs/dbraw/zinc/07/08/77/384070877.db2.gz GZUZSBSCGAGTSG-CYBMUJFWSA-N 0 3 237.343 2.596 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC2CCCC2)c1 ZINC000070955149 384142323 /nfs/dbraw/zinc/14/23/23/384142323.db2.gz NJCTYXAICRKMPV-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C2CCCC2)c1 ZINC000070954622 384142892 /nfs/dbraw/zinc/14/28/92/384142892.db2.gz BNFWGYFTXDKJIO-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C)C2)c1 ZINC000132659282 384198331 /nfs/dbraw/zinc/19/83/31/384198331.db2.gz DCINZVYNCULKNQ-NSHDSACASA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000132659282 384198333 /nfs/dbraw/zinc/19/83/33/384198333.db2.gz DCINZVYNCULKNQ-NSHDSACASA-N 0 3 205.301 2.542 20 10 BFCDHN CSCCC[N@H+](C)Cc1ccccc1[O-] ZINC000072629613 384228534 /nfs/dbraw/zinc/22/85/34/384228534.db2.gz NXIWAUDUVUHHGS-UHFFFAOYSA-N 0 3 225.357 2.577 20 10 BFCDHN CSCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000072629613 384228538 /nfs/dbraw/zinc/22/85/38/384228538.db2.gz NXIWAUDUVUHHGS-UHFFFAOYSA-N 0 3 225.357 2.577 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)c([O-])c1 ZINC000042814209 384247270 /nfs/dbraw/zinc/24/72/70/384247270.db2.gz SRZIWNPWELSAKA-CHWSQXEVSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)c([O-])c1 ZINC000042814204 384247302 /nfs/dbraw/zinc/24/73/02/384247302.db2.gz SRZIWNPWELSAKA-STQMWFEESA-N 0 3 249.354 2.920 20 10 BFCDHN COC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000045656887 384403389 /nfs/dbraw/zinc/40/33/89/384403389.db2.gz HKHNHVBZNHFJBY-NWDGAFQWSA-N 0 3 237.343 2.634 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC=CCC2)c1 ZINC000076771284 384384511 /nfs/dbraw/zinc/38/45/11/384384511.db2.gz LOMISWPCKFAIPB-ZDUSSCGKSA-N 0 3 217.312 2.899 20 10 BFCDHN CC(C)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000037264349 384491763 /nfs/dbraw/zinc/49/17/63/384491763.db2.gz UOCLZKWYAZXBLQ-LLVKDONJSA-N 0 3 207.317 2.916 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1[O-] ZINC000183645736 384547022 /nfs/dbraw/zinc/54/70/22/384547022.db2.gz RLVFPLLOMQXBTL-RYUDHWBXSA-N 0 3 235.327 2.612 20 10 BFCDHN CC[C@@H]([NH2+]CC1CC1)c1ccccc1[O-] ZINC000019884959 384552596 /nfs/dbraw/zinc/55/25/96/384552596.db2.gz AEEPMYXDCKQREQ-GFCCVEGCSA-N 0 3 205.301 2.843 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000051996473 384707025 /nfs/dbraw/zinc/70/70/25/384707025.db2.gz FSAIBAAZVDIQDU-LNSITVRQSA-N 0 3 249.354 2.655 20 10 BFCDHN CO[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000102766519 384728963 /nfs/dbraw/zinc/72/89/63/384728963.db2.gz GPXVOCRAWSFZIV-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN CO[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000102766519 384728970 /nfs/dbraw/zinc/72/89/70/384728970.db2.gz GPXVOCRAWSFZIV-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(C)(C)O1 ZINC000187245906 384927442 /nfs/dbraw/zinc/92/74/42/384927442.db2.gz VTWQVEZAUZFESZ-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(C)(C)O1 ZINC000187245906 384927450 /nfs/dbraw/zinc/92/74/50/384927450.db2.gz VTWQVEZAUZFESZ-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@H]([NH2+]CC1CC1)c1cc(F)ccc1[O-] ZINC000087111317 385075371 /nfs/dbraw/zinc/07/53/71/385075371.db2.gz VPLBYEZQLVVDIV-QMMMGPOBSA-N 0 3 209.264 2.592 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCC2)c1 ZINC000052207923 385245163 /nfs/dbraw/zinc/24/51/63/385245163.db2.gz NOSYOYZRUNVPOE-JTQLQIEISA-N 0 3 205.301 2.904 20 10 BFCDHN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000191647239 385312845 /nfs/dbraw/zinc/31/28/45/385312845.db2.gz OIMCEVOMGOQBEY-SDDRHHMPSA-N 0 3 237.343 2.775 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCOC(C)C)c([O-])c1 ZINC000168884950 385391086 /nfs/dbraw/zinc/39/10/86/385391086.db2.gz FYZITNVANJQZKE-GFCCVEGCSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000120766652 385416886 /nfs/dbraw/zinc/41/68/86/385416886.db2.gz UMPQBWYVFGKBEK-LLVKDONJSA-N 0 3 207.317 2.870 20 10 BFCDHN CC[C@@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000120766652 385416890 /nfs/dbraw/zinc/41/68/90/385416890.db2.gz UMPQBWYVFGKBEK-LLVKDONJSA-N 0 3 207.317 2.870 20 10 BFCDHN Cc1occc1CN(C)Cc1ccccc1O ZINC000179562903 385473845 /nfs/dbraw/zinc/47/38/45/385473845.db2.gz ZWZIRZRWUYPDMT-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN CC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])OC ZINC000290158898 385627191 /nfs/dbraw/zinc/62/71/91/385627191.db2.gz LUUBQYJXEAVVFC-KOLCDFICSA-N 0 3 241.306 2.607 20 10 BFCDHN CC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC ZINC000290158897 385627398 /nfs/dbraw/zinc/62/73/98/385627398.db2.gz LUUBQYJXEAVVFC-GXSJLCMTSA-N 0 3 241.306 2.607 20 10 BFCDHN CCSCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000281851125 385707081 /nfs/dbraw/zinc/70/70/81/385707081.db2.gz BFBFWJPHXOKIST-UHFFFAOYSA-N 0 3 239.384 2.933 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])[C@H](C)C1 ZINC000282125111 385734534 /nfs/dbraw/zinc/73/45/34/385734534.db2.gz AZXNYRMLADQKNA-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])[C@H](C)C1 ZINC000282125111 385734537 /nfs/dbraw/zinc/73/45/37/385734537.db2.gz AZXNYRMLADQKNA-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCOC2)c([O-])c1 ZINC000285120909 385900985 /nfs/dbraw/zinc/90/09/85/385900985.db2.gz LBUMYDXHUGJMRB-OLZOCXBDSA-N 0 3 249.354 2.839 20 10 BFCDHN CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000273571725 385865700 /nfs/dbraw/zinc/86/57/00/385865700.db2.gz KXNGZNPDXVYEQQ-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2ccccc2[O-])CC1(C)C ZINC000294988192 385935476 /nfs/dbraw/zinc/93/54/76/385935476.db2.gz KKEYWTSAHIWHNY-AWEZNQCLSA-N 0 3 249.354 2.639 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])CC1(C)C ZINC000294988192 385935481 /nfs/dbraw/zinc/93/54/81/385935481.db2.gz KKEYWTSAHIWHNY-AWEZNQCLSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272812119 385937020 /nfs/dbraw/zinc/93/70/20/385937020.db2.gz DHGPQDPIVSYWDP-WOPDTQHZSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1[O-] ZINC000272826120 385939284 /nfs/dbraw/zinc/93/92/84/385939284.db2.gz GSEQLRMVZYLPMI-LLVKDONJSA-N 0 3 230.311 2.582 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)CC)c1 ZINC000163753346 385951013 /nfs/dbraw/zinc/95/10/13/385951013.db2.gz KIQCLFKEFLDLEZ-SNVBAGLBSA-N 0 3 223.316 2.679 20 10 BFCDHN CCC1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226613810 386344356 /nfs/dbraw/zinc/34/43/56/386344356.db2.gz VIDYKLHPSMIYQO-UHFFFAOYSA-N 0 3 223.291 2.811 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccccc1[O-] ZINC000290265518 386412373 /nfs/dbraw/zinc/41/23/73/386412373.db2.gz VRPYIVCUWVQGTP-WZRBSPASSA-N 0 3 237.343 2.856 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000291241735 386525152 /nfs/dbraw/zinc/52/51/52/386525152.db2.gz LGOUSQYWDBQCDG-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000291241735 386525155 /nfs/dbraw/zinc/52/51/55/386525155.db2.gz LGOUSQYWDBQCDG-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN CC(C)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000037264351 386574412 /nfs/dbraw/zinc/57/44/12/386574412.db2.gz UOCLZKWYAZXBLQ-NSHDSACASA-N 0 3 207.317 2.916 20 10 BFCDHN CC[C@@H]([NH2+]CCC[C@H](C)O)c1ccccc1[O-] ZINC000228033408 386531596 /nfs/dbraw/zinc/53/15/96/386531596.db2.gz GOOIMKXZLABGJS-WCQYABFASA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cn[nH]c1 ZINC000228799335 386617656 /nfs/dbraw/zinc/61/76/56/386617656.db2.gz PRHXEXFZDOXHHQ-UWVGGRQHSA-N 0 3 231.299 2.527 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280154001 386785489 /nfs/dbraw/zinc/78/54/89/386785489.db2.gz QHPISULSNDLYBQ-GXTWGEPZSA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCOC2)c([O-])c1 ZINC000293905747 386901725 /nfs/dbraw/zinc/90/17/25/386901725.db2.gz WQYKNICRBJETLE-OLZOCXBDSA-N 0 3 249.354 2.696 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCC2(O)CCC2)c([O-])c1 ZINC000284222211 387167499 /nfs/dbraw/zinc/16/74/99/387167499.db2.gz CUQKZPVPHVBWRZ-GFCCVEGCSA-N 0 3 249.354 2.656 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CC2)c([O-])c1 ZINC000284231734 387167650 /nfs/dbraw/zinc/16/76/50/387167650.db2.gz UQTONVVVPNOVJU-JTQLQIEISA-N 0 3 205.301 2.822 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC2(O)CCC2)c1 ZINC000284299135 387179678 /nfs/dbraw/zinc/17/96/78/387179678.db2.gz IRMACTWGESFFMC-LBPRGKRZSA-N 0 3 249.354 2.656 20 10 BFCDHN Cc1ccoc1CNCc1cccc(C)c1O ZINC000292855138 387209021 /nfs/dbraw/zinc/20/90/21/387209021.db2.gz URJCYNHHCKREKY-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC2CC=CC2)c1 ZINC000527750178 387693470 /nfs/dbraw/zinc/69/34/70/387693470.db2.gz FXUGYFSYRBBXFZ-UHFFFAOYSA-N 0 3 217.312 2.756 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000378349714 387778597 /nfs/dbraw/zinc/77/85/97/387778597.db2.gz PCYZGYHFVXYMPW-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000378349714 387778600 /nfs/dbraw/zinc/77/86/00/387778600.db2.gz PCYZGYHFVXYMPW-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN CC[C@H]([NH2+][C@@H](COC)C1CC1)c1ccccc1[O-] ZINC000156853766 388040702 /nfs/dbraw/zinc/04/07/02/388040702.db2.gz JPEYRQYPASFDFM-KBPBESRZSA-N 0 3 249.354 2.858 20 10 BFCDHN CCC[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000293699538 388359361 /nfs/dbraw/zinc/35/93/61/388359361.db2.gz OWWTVCWGGFNKIG-CHWSQXEVSA-N 0 3 249.354 2.784 20 10 BFCDHN CC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])OC ZINC000290222014 388377503 /nfs/dbraw/zinc/37/75/03/388377503.db2.gz QXNDBDKABULUPO-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN COC1(CC[NH2+]Cc2cc(C)ccc2[O-])CCC1 ZINC000292984942 388385778 /nfs/dbraw/zinc/38/57/78/388385778.db2.gz NLVBHNQFTOKZDW-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(C)(C)O ZINC000294988712 388406514 /nfs/dbraw/zinc/40/65/14/388406514.db2.gz LDJZTERSASWIPJ-MFKMUULPSA-N 0 3 237.343 2.592 20 10 BFCDHN CC(F)(F)CCC[NH2+]Cc1ccccc1[O-] ZINC000295920399 388410927 /nfs/dbraw/zinc/41/09/27/388410927.db2.gz DZRHUBDABSQOEZ-UHFFFAOYSA-N 0 3 229.270 2.917 20 10 BFCDHN COC1(C[NH2+]Cc2cc(C)ccc2[O-])CCCC1 ZINC000296131643 388418437 /nfs/dbraw/zinc/41/84/37/388418437.db2.gz UNCIONLXELXTOW-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CC[C@@H](C[NH2+][C@@H](CC)c1ccccc1[O-])OC ZINC000290190534 388949434 /nfs/dbraw/zinc/94/94/34/388949434.db2.gz OGBKGZBGASYQBA-AAEUAGOBSA-N 0 3 237.343 2.858 20 10 BFCDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000272856640 389035443 /nfs/dbraw/zinc/03/54/43/389035443.db2.gz LZWWCLOYYQXRKJ-SMDDNHRTSA-N 0 3 237.343 2.714 20 10 BFCDHN CC1(C)[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000180199112 168012634 /nfs/dbraw/zinc/01/26/34/168012634.db2.gz XUBMWBAOGZRAQL-TXEJJXNPSA-N 0 3 235.302 2.619 20 10 BFCDHN CC1(C)[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000180199112 168012637 /nfs/dbraw/zinc/01/26/37/168012637.db2.gz XUBMWBAOGZRAQL-TXEJJXNPSA-N 0 3 235.302 2.619 20 10 BFCDHN CC1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000165484268 168043386 /nfs/dbraw/zinc/04/33/86/168043386.db2.gz QBDUIXWCROOPGA-UHFFFAOYSA-N 0 3 205.301 2.672 20 10 BFCDHN CC1=CC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000285014553 168118928 /nfs/dbraw/zinc/11/89/28/168118928.db2.gz HHBUNORLZWWORP-CYBMUJFWSA-N 0 3 217.312 2.981 20 10 BFCDHN CCOC(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295783743 170314078 /nfs/dbraw/zinc/31/40/78/170314078.db2.gz ACIRTPNTSNULRF-LBPRGKRZSA-N 0 3 249.354 2.784 20 10 BFCDHN CCOCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183430799 170369695 /nfs/dbraw/zinc/36/96/95/170369695.db2.gz FEAKSZILMMRGRW-GFCCVEGCSA-N 0 3 237.343 2.860 20 10 BFCDHN CC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111309 170758229 /nfs/dbraw/zinc/75/82/29/170758229.db2.gz JNVNYKKOSFLZDR-RKDXNWHRSA-N 0 3 211.280 2.980 20 10 BFCDHN CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000042554470 170790882 /nfs/dbraw/zinc/79/08/82/170790882.db2.gz SNTNIZBAWHNGMS-MNOVXSKESA-N 0 3 237.343 2.925 20 10 BFCDHN CC[C@@H](CSC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618598 170852699 /nfs/dbraw/zinc/85/26/99/170852699.db2.gz IZIDDZBUNKRPJD-NSHDSACASA-N 0 3 243.347 2.763 20 10 BFCDHN COC1(C[C@H](C)[NH2+]Cc2ccccc2[O-])CCC1 ZINC000277193486 174009352 /nfs/dbraw/zinc/00/93/52/174009352.db2.gz VBZQYYJXGKOESL-LBPRGKRZSA-N 0 3 249.354 2.830 20 10 BFCDHN COCCCCC[N@H+](C)Cc1ccccc1[O-] ZINC000116879172 174175984 /nfs/dbraw/zinc/17/59/84/174175984.db2.gz ZJNQZDDGQHKLNB-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN COCCCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000116879172 174175985 /nfs/dbraw/zinc/17/59/85/174175985.db2.gz ZJNQZDDGQHKLNB-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN COCCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179875417 174182790 /nfs/dbraw/zinc/18/27/90/174182790.db2.gz SZFOMNJKRJHAOZ-LBPRGKRZSA-N 0 3 237.343 2.860 20 10 BFCDHN COCCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617971 174202110 /nfs/dbraw/zinc/20/21/10/174202110.db2.gz WBDMZRNTQFPNGZ-JTQLQIEISA-N 0 3 241.306 2.609 20 10 BFCDHN COCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273397644 174249420 /nfs/dbraw/zinc/24/94/20/174249420.db2.gz MHINEDQXPXVJOA-LBPRGKRZSA-N 0 3 237.343 2.696 20 10 BFCDHN COCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000020142670 174250412 /nfs/dbraw/zinc/25/04/12/174250412.db2.gz BQIZWMIQJNOXAC-VXGBXAGGSA-N 0 3 249.354 2.875 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)CCC2CC2)c1 ZINC000180767020 175157050 /nfs/dbraw/zinc/15/70/50/175157050.db2.gz UUENIOKWBKTFOS-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)CCC2CC2)c1 ZINC000180767020 175157051 /nfs/dbraw/zinc/15/70/51/175157051.db2.gz UUENIOKWBKTFOS-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCC=C(C)C2)c1 ZINC000281873353 175157127 /nfs/dbraw/zinc/15/71/27/175157127.db2.gz UWRVXZANVZVHJQ-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCC=C(C)C2)c1 ZINC000281873353 175157129 /nfs/dbraw/zinc/15/71/29/175157129.db2.gz UWRVXZANVZVHJQ-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186611940 175157144 /nfs/dbraw/zinc/15/71/44/175157144.db2.gz IOJANSLPEPNHDS-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186611940 175157151 /nfs/dbraw/zinc/15/71/51/175157151.db2.gz IOJANSLPEPNHDS-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000156104170 175157614 /nfs/dbraw/zinc/15/76/14/175157614.db2.gz CVKFEHLNUXBQCU-RYUDHWBXSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371424889 175157933 /nfs/dbraw/zinc/15/79/33/175157933.db2.gz JQIOLRKBMBSCHQ-CQSZACIVSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371424889 175157935 /nfs/dbraw/zinc/15/79/35/175157935.db2.gz JQIOLRKBMBSCHQ-CQSZACIVSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000367971474 175158086 /nfs/dbraw/zinc/15/80/86/175158086.db2.gz BJVCZSWSNFPNED-BXUZGUMPSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000367971474 175158087 /nfs/dbraw/zinc/15/80/87/175158087.db2.gz BJVCZSWSNFPNED-BXUZGUMPSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000088747661 175158783 /nfs/dbraw/zinc/15/87/83/175158783.db2.gz JDJAENGENPMFPF-GFCCVEGCSA-N 0 3 233.311 2.599 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]Cc2cccs2)c1 ZINC000020139651 175159306 /nfs/dbraw/zinc/15/93/06/175159306.db2.gz KYJZFIKBGCXRSA-UHFFFAOYSA-N 0 3 249.335 2.752 20 10 BFCDHN COc1ccc(O)c(CNCc2cccs2)c1 ZINC000020139651 175159308 /nfs/dbraw/zinc/15/93/08/175159308.db2.gz KYJZFIKBGCXRSA-UHFFFAOYSA-N 0 3 249.335 2.752 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000224914841 175159426 /nfs/dbraw/zinc/15/94/26/175159426.db2.gz SKAWPNQAHXZINQ-UHFFFAOYSA-N 0 3 247.338 2.681 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CC2(C(C)C)CC2)c1 ZINC000224896761 175159541 /nfs/dbraw/zinc/15/95/41/175159541.db2.gz NHHNWEZIXUQIFQ-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000168740242 175159891 /nfs/dbraw/zinc/15/98/91/175159891.db2.gz JESXEQCFGXKQCX-DCAQKATOSA-N 0 3 235.327 2.707 20 10 BFCDHN COc1ccc(O)c([C@H](C)NCc2ccoc2)c1 ZINC000168737005 175160689 /nfs/dbraw/zinc/16/06/89/175160689.db2.gz LOHZLVWTCBMZDA-JTQLQIEISA-N 0 3 247.294 2.845 20 10 BFCDHN COc1cccc(C[N@H+](C)CC(C)(C)C)c1[O-] ZINC000133373484 175254208 /nfs/dbraw/zinc/25/42/08/175254208.db2.gz WVDHOWIKNDNVCV-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc(C[N@@H+](C)CC(C)(C)C)c1[O-] ZINC000133373484 175254209 /nfs/dbraw/zinc/25/42/09/175254209.db2.gz WVDHOWIKNDNVCV-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000091860109 175260231 /nfs/dbraw/zinc/26/02/31/175260231.db2.gz FQEPOSIAIRNFPZ-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000091860109 175260232 /nfs/dbraw/zinc/26/02/32/175260232.db2.gz FQEPOSIAIRNFPZ-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000131821952 175261065 /nfs/dbraw/zinc/26/10/65/175261065.db2.gz BDQMEJWSTPYHBJ-VXGBXAGGSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[NH2+][C@@H](C)CC(C)C)c1[O-] ZINC000037264279 175265314 /nfs/dbraw/zinc/26/53/14/175265314.db2.gz PYHHYOGFJMFHLX-NSHDSACASA-N 0 3 237.343 2.925 20 10 BFCDHN COc1cccc(C[NH2+][C@H](C)C2CCC2)c1[O-] ZINC000119653938 175266934 /nfs/dbraw/zinc/26/69/34/175266934.db2.gz IRNKLGPDZLYHAG-SNVBAGLBSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1[O-] ZINC000131229995 175267075 /nfs/dbraw/zinc/26/70/75/175267075.db2.gz KENNYHDDEGDQKU-CMPLNLGQSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC=CCC2)c1[O-] ZINC000076770672 175267872 /nfs/dbraw/zinc/26/78/72/175267872.db2.gz ALQVCGHMXPHXFD-LBPRGKRZSA-N 0 3 233.311 2.599 20 10 BFCDHN CS[C@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162709755 175562986 /nfs/dbraw/zinc/56/29/86/175562986.db2.gz UDJXNXRDBXALCD-SNVBAGLBSA-N 0 3 225.357 2.542 20 10 BFCDHN C[C@@H]1[C@@H](C)CN1Cc1ccc(N(C)C)cc1 ZINC000293183008 177263701 /nfs/dbraw/zinc/26/37/01/177263701.db2.gz WUDQPOIASPNRTH-NWDGAFQWSA-N 0 3 218.344 2.593 20 10 BFCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)CF)c1[O-] ZINC000290117280 324134587 /nfs/dbraw/zinc/13/45/87/324134587.db2.gz IQGRWXMJWALSIF-MRVPVSSYSA-N 0 3 231.698 2.802 20 10 BFCDHN COCCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000529637643 324367757 /nfs/dbraw/zinc/36/77/57/324367757.db2.gz IGYSHWZVKBMONS-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1C ZINC000853576883 588749429 /nfs/dbraw/zinc/74/94/29/588749429.db2.gz GQZJKWJGSGFFSI-STQMWFEESA-N 0 3 231.339 2.851 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1C ZINC000853576883 588749430 /nfs/dbraw/zinc/74/94/30/588749430.db2.gz GQZJKWJGSGFFSI-STQMWFEESA-N 0 3 231.339 2.851 20 10 BFCDHN COc1cccc(C[NH2+][C@H](C)C(C)(C)C)c1[O-] ZINC000112375763 588796087 /nfs/dbraw/zinc/79/60/87/588796087.db2.gz WWOVFQCSVLZDGL-SNVBAGLBSA-N 0 3 237.343 2.925 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(C)(C)C ZINC000112376000 588796412 /nfs/dbraw/zinc/79/64/12/588796412.db2.gz GIZXDXVDQFPMOZ-SNVBAGLBSA-N 0 3 207.317 2.916 20 10 BFCDHN Cc1coc(CN(C)Cc2ccccc2O)c1 ZINC000893962153 583258223 /nfs/dbraw/zinc/25/82/23/583258223.db2.gz LTUHCPQGEPNLNV-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000877459378 583314001 /nfs/dbraw/zinc/31/40/01/583314001.db2.gz IYXWSTRCIFBQFW-ZWNOBZJWSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CC(C2CC2)C1 ZINC000877542183 583325777 /nfs/dbraw/zinc/32/57/77/583325777.db2.gz PJOXTPWUXPXNGI-UHFFFAOYSA-N 0 3 217.312 2.542 20 10 BFCDHN CCC[C@H](C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877555786 583327814 /nfs/dbraw/zinc/32/78/14/583327814.db2.gz BMCAGACQIWNPHO-CYBMUJFWSA-N 0 3 237.343 2.605 20 10 BFCDHN COC(C)(C)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877707990 583343556 /nfs/dbraw/zinc/34/35/56/583343556.db2.gz WAMXASQFQXTMRQ-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2C)c1[O-] ZINC000894247375 583390678 /nfs/dbraw/zinc/39/06/78/583390678.db2.gz RDZQPQXALBMASQ-DGCLKSJQSA-N 0 3 249.354 2.987 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000894860091 583533681 /nfs/dbraw/zinc/53/36/81/583533681.db2.gz AMIPFWJMYIWZOI-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000894860091 583533682 /nfs/dbraw/zinc/53/36/82/583533682.db2.gz AMIPFWJMYIWZOI-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000894862042 583535346 /nfs/dbraw/zinc/53/53/46/583535346.db2.gz SJKJLKCYNFNQQX-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000894862042 583535347 /nfs/dbraw/zinc/53/53/47/583535347.db2.gz SJKJLKCYNFNQQX-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1[O-] ZINC000128441732 583542964 /nfs/dbraw/zinc/54/29/64/583542964.db2.gz XCMDGGSDGJHENW-MFKMUULPSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2C=CCC2)c([O-])c1 ZINC000895526714 583684324 /nfs/dbraw/zinc/68/43/24/583684324.db2.gz PPBFZUPQFLJPQH-LBPRGKRZSA-N 0 3 217.312 2.756 20 10 BFCDHN CCCCNCc1cc(F)c(N(C)C)cc1F ZINC000858087476 588931478 /nfs/dbraw/zinc/93/14/78/588931478.db2.gz YOKUKGHLPDIFDD-UHFFFAOYSA-N 0 3 242.313 2.921 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897955510 584065151 /nfs/dbraw/zinc/06/51/51/584065151.db2.gz VOVRAELLZUQPHM-LERXQTSPSA-N 0 3 247.338 2.679 20 10 BFCDHN C[C@H](Cc1cccnc1)[NH2+]Cc1ccccc1[O-] ZINC000897969288 584070102 /nfs/dbraw/zinc/07/01/02/584070102.db2.gz IHNMKLSQHBULKF-GFCCVEGCSA-N 0 3 242.322 2.508 20 10 BFCDHN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000898226441 584102529 /nfs/dbraw/zinc/10/25/29/584102529.db2.gz MQWSPALMXCFRKL-DGCLKSJQSA-N 0 3 217.312 2.837 20 10 BFCDHN COc1cc(C)cc(CNC/C=C/Cl)c1O ZINC000898426620 584132267 /nfs/dbraw/zinc/13/22/67/584132267.db2.gz GWAZHRISJYBTNU-ONEGZZNKSA-N 0 3 241.718 2.551 20 10 BFCDHN C[C@]12CSC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000898421450 584133546 /nfs/dbraw/zinc/13/35/46/584133546.db2.gz BRZXFXSPJCAWBV-OCCSQVGLSA-N 0 3 249.379 2.577 20 10 BFCDHN C[C@]12CSC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000898421450 584133547 /nfs/dbraw/zinc/13/35/47/584133547.db2.gz BRZXFXSPJCAWBV-OCCSQVGLSA-N 0 3 249.379 2.577 20 10 BFCDHN CCOc1ccc(C[N@H+](C)CC(C)C)c([O-])c1 ZINC000768242637 584949020 /nfs/dbraw/zinc/94/90/20/584949020.db2.gz AAINHXMEQIRXPB-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CCOc1ccc(C[N@@H+](C)CC(C)C)c([O-])c1 ZINC000768242637 584949021 /nfs/dbraw/zinc/94/90/21/584949021.db2.gz AAINHXMEQIRXPB-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@@H](COC)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000742372105 585125016 /nfs/dbraw/zinc/12/50/16/585125016.db2.gz RDBXWRNSEAFOHW-ZDUSSCGKSA-N 0 3 237.343 2.524 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCC1=CCCC1 ZINC000753850426 585271279 /nfs/dbraw/zinc/27/12/79/585271279.db2.gz LSWGSBRHPXAURU-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN COC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756340824 585318092 /nfs/dbraw/zinc/31/80/92/585318092.db2.gz JUKWCAKCOAGUTC-JQWIXIFHSA-N 0 3 237.343 2.695 20 10 BFCDHN COCC1([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000756849981 585324444 /nfs/dbraw/zinc/32/44/44/585324444.db2.gz IDKGPJKSHANWEY-LBPRGKRZSA-N 0 3 249.354 2.839 20 10 BFCDHN CC[N@H+](Cc1c([O-])cccc1OC)C(C)C ZINC000768236853 585534484 /nfs/dbraw/zinc/53/44/84/585534484.db2.gz JPPIVHKNNXNOFL-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CC[N@@H+](Cc1c([O-])cccc1OC)C(C)C ZINC000768236853 585534485 /nfs/dbraw/zinc/53/44/85/585534485.db2.gz JPPIVHKNNXNOFL-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000769327587 585554129 /nfs/dbraw/zinc/55/41/29/585554129.db2.gz CQACHYXCXCJLJY-ZDUSSCGKSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769327587 585554130 /nfs/dbraw/zinc/55/41/30/585554130.db2.gz CQACHYXCXCJLJY-ZDUSSCGKSA-N 0 3 247.338 2.775 20 10 BFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H](C)S1 ZINC000770510882 585575188 /nfs/dbraw/zinc/57/51/88/585575188.db2.gz UHFBMOLGXXEBLF-PHIMTYICSA-N 0 3 237.368 2.718 20 10 BFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H](C)S1 ZINC000770510882 585575189 /nfs/dbraw/zinc/57/51/89/585575189.db2.gz UHFBMOLGXXEBLF-PHIMTYICSA-N 0 3 237.368 2.718 20 10 BFCDHN Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000770751505 585581229 /nfs/dbraw/zinc/58/12/29/585581229.db2.gz XEZAHBJGFUDNCH-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc(CNCc2ccc(F)cn2)c1O ZINC000776251711 585693965 /nfs/dbraw/zinc/69/39/65/585693965.db2.gz UXVQCRGUFLCDQZ-UHFFFAOYSA-N 0 3 246.285 2.525 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CC=CCC2)cc1C ZINC000778576703 585737514 /nfs/dbraw/zinc/73/75/14/585737514.db2.gz KFEWZQXAIBVYQT-UHFFFAOYSA-N 0 3 217.312 2.771 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CC=CCC2)cc1C ZINC000778576703 585737515 /nfs/dbraw/zinc/73/75/15/585737515.db2.gz KFEWZQXAIBVYQT-UHFFFAOYSA-N 0 3 217.312 2.771 20 10 BFCDHN Cc1ccc(O)c(CN2CC[C@H](C)[C@@H](F)C2)c1 ZINC000779148102 585745754 /nfs/dbraw/zinc/74/57/54/585745754.db2.gz GHAJSDFXIGVVSA-AAEUAGOBSA-N 0 3 237.318 2.881 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000783736822 585841410 /nfs/dbraw/zinc/84/14/10/585841410.db2.gz FSOUPNWRFFTMJU-RWMBFGLXSA-N 0 3 249.354 2.698 20 10 BFCDHN CC[C@@]1([NH2+]Cc2cc(C)c(C)cc2[O-])CCOC1 ZINC000791003778 585971994 /nfs/dbraw/zinc/97/19/94/585971994.db2.gz HTXJEQFGPNWPQM-OAHLLOKOSA-N 0 3 249.354 2.668 20 10 BFCDHN CCOc1ccc(C[NH+]2CC(C(C)C)C2)c([O-])c1 ZINC000793190141 586013857 /nfs/dbraw/zinc/01/38/57/586013857.db2.gz TUXFPFROWRATMV-UHFFFAOYSA-N 0 3 249.354 2.879 20 10 BFCDHN CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C)c([O-])c1 ZINC000796525231 586106176 /nfs/dbraw/zinc/10/61/76/586106176.db2.gz CJWLLDZXSHDSSG-GWCFXTLKSA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000796526622 586106183 /nfs/dbraw/zinc/10/61/83/586106183.db2.gz ORSGJORHUIZWTP-ZWNOBZJWSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000796815184 586113294 /nfs/dbraw/zinc/11/32/94/586113294.db2.gz CCKKWKFLWNARLM-UONOGXRCSA-N 0 3 249.354 2.925 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000800481509 586222152 /nfs/dbraw/zinc/22/21/52/586222152.db2.gz UQEIDLDOLNMMCR-AWEZNQCLSA-N 0 3 247.338 2.823 20 10 BFCDHN CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000806145356 586405247 /nfs/dbraw/zinc/40/52/47/586405247.db2.gz AQBZYILHTXLPHU-GWCFXTLKSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)C)c1[O-] ZINC000809739910 586515992 /nfs/dbraw/zinc/51/59/92/586515992.db2.gz GJEOCECQDATKNT-STQMWFEESA-N 0 3 249.354 2.925 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CC=C(C)CC2)c([O-])c1 ZINC000816597419 586743633 /nfs/dbraw/zinc/74/36/33/586743633.db2.gz QUTCRXNFQDVSEP-ZDUSSCGKSA-N 0 3 247.338 2.989 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648402 586750119 /nfs/dbraw/zinc/75/01/19/586750119.db2.gz JYXMZYMWKMFFSD-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648402 586750120 /nfs/dbraw/zinc/75/01/20/586750120.db2.gz JYXMZYMWKMFFSD-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000816647539 586750605 /nfs/dbraw/zinc/75/06/05/586750605.db2.gz UGGKGUMICMJWJH-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000816647539 586750607 /nfs/dbraw/zinc/75/06/07/586750607.db2.gz UGGKGUMICMJWJH-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(CN2C[C@@H](C)[C@@H]2C)c1O ZINC000816647539 586750609 /nfs/dbraw/zinc/75/06/09/586750609.db2.gz UGGKGUMICMJWJH-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1[O-] ZINC000816649625 586752649 /nfs/dbraw/zinc/75/26/49/586752649.db2.gz FMVLIPWAODQNNQ-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@H]2C)c1[O-] ZINC000816649625 586752647 /nfs/dbraw/zinc/75/26/47/586752647.db2.gz FMVLIPWAODQNNQ-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(C)cc1[O-] ZINC000817965024 586854330 /nfs/dbraw/zinc/85/43/30/586854330.db2.gz NFQJKPGKHQPDLG-CYBMUJFWSA-N 0 3 248.370 2.623 20 10 BFCDHN CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(C)cc1[O-] ZINC000817965025 586854363 /nfs/dbraw/zinc/85/43/63/586854363.db2.gz NFQJKPGKHQPDLG-ZDUSSCGKSA-N 0 3 248.370 2.623 20 10 BFCDHN C[C@@H](N)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817973763 586860733 /nfs/dbraw/zinc/86/07/33/586860733.db2.gz WCGXKHIUQKTGJE-GHMZBOCLSA-N 0 3 244.338 2.543 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824650712 587281006 /nfs/dbraw/zinc/28/10/06/587281006.db2.gz PIEMSJCRUFGBPO-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824650712 587281007 /nfs/dbraw/zinc/28/10/07/587281007.db2.gz PIEMSJCRUFGBPO-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2COCC2(C)C)cc1C ZINC000825090961 587303640 /nfs/dbraw/zinc/30/36/40/587303640.db2.gz OXLMSUQKXRWZAI-AWEZNQCLSA-N 0 3 249.354 2.524 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000827506725 587384573 /nfs/dbraw/zinc/38/45/73/587384573.db2.gz KVNBCSLYQPAUGW-DGCLKSJQSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000827506725 587384574 /nfs/dbraw/zinc/38/45/74/587384574.db2.gz KVNBCSLYQPAUGW-DGCLKSJQSA-N 0 3 247.338 2.633 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CCCc1ccco1 ZINC000827675168 587395444 /nfs/dbraw/zinc/39/54/44/587395444.db2.gz ZSMSQBCQBJKUNA-UHFFFAOYSA-N 0 3 249.285 2.847 20 10 BFCDHN Cc1cccc(C[N@H+](C)CC2=CCSC2)c1[O-] ZINC000827804999 587403282 /nfs/dbraw/zinc/40/32/82/587403282.db2.gz DMOOBZGHCUETII-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN Cc1cccc(C[N@@H+](C)CC2=CCSC2)c1[O-] ZINC000827804999 587403283 /nfs/dbraw/zinc/40/32/83/587403283.db2.gz DMOOBZGHCUETII-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN COc1cccc(C[N@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC000827943648 587411782 /nfs/dbraw/zinc/41/17/82/587411782.db2.gz YYASJFFVHIEERX-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[N@@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC000827943648 587411783 /nfs/dbraw/zinc/41/17/83/587411783.db2.gz YYASJFFVHIEERX-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN CCC1C[NH+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000835075533 587780118 /nfs/dbraw/zinc/78/01/18/587780118.db2.gz VYYCYHDUBPMTRP-UHFFFAOYSA-N 0 3 219.328 2.851 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840823362 587923718 /nfs/dbraw/zinc/92/37/18/587923718.db2.gz ZSKWWSLXSDDHCX-BZPMIXESSA-N 0 3 247.338 2.537 20 10 BFCDHN COCC[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000840836944 587924651 /nfs/dbraw/zinc/92/46/51/587924651.db2.gz LTJMSRRHRHAUQT-NWDGAFQWSA-N 0 3 237.343 2.715 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@@H]2CC2(F)F)c1 ZINC000840968713 587932226 /nfs/dbraw/zinc/93/22/26/587932226.db2.gz UGRXOQOLDYARSY-KOLCDFICSA-N 0 3 241.281 2.834 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CC1(F)F ZINC000840969162 587932247 /nfs/dbraw/zinc/93/22/47/587932247.db2.gz YQPQKENDYFVIHX-WCBMZHEXSA-N 0 3 227.254 2.526 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000841891292 587982196 /nfs/dbraw/zinc/98/21/96/587982196.db2.gz XRYJCKRLWZMUTK-SRVKXCTJSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000841891292 587982197 /nfs/dbraw/zinc/98/21/97/587982197.db2.gz XRYJCKRLWZMUTK-SRVKXCTJSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000842776876 588062772 /nfs/dbraw/zinc/06/27/72/588062772.db2.gz RWFDKTSZCVWJLF-IJLUTSLNSA-N 0 3 247.338 2.679 20 10 BFCDHN COCC1(CC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000842894746 588070998 /nfs/dbraw/zinc/07/09/98/588070998.db2.gz RCAAGSWHMDWNQJ-LBPRGKRZSA-N 0 3 249.354 2.860 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC12CCCC2 ZINC000846001213 588252986 /nfs/dbraw/zinc/25/29/86/588252986.db2.gz YPQDBAXUEFSDAS-UHFFFAOYSA-N 0 3 217.312 2.911 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC12CCCC2 ZINC000846001213 588252987 /nfs/dbraw/zinc/25/29/87/588252987.db2.gz YPQDBAXUEFSDAS-UHFFFAOYSA-N 0 3 217.312 2.911 20 10 BFCDHN COc1cccc(C[N@@H+]2CCC23CCCC3)c1[O-] ZINC000846000224 588253199 /nfs/dbraw/zinc/25/31/99/588253199.db2.gz OUOCXIRBZWULPW-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN COc1cccc(C[N@H+]2CCC23CCCC3)c1[O-] ZINC000846000224 588253200 /nfs/dbraw/zinc/25/32/00/588253200.db2.gz OUOCXIRBZWULPW-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c1[O-] ZINC000846136212 588258475 /nfs/dbraw/zinc/25/84/75/588258475.db2.gz HIABURXZZLOPRP-VHSXEESVSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@H](C)NCc2ccco2)c1O ZINC000846138313 588258559 /nfs/dbraw/zinc/25/85/59/588258559.db2.gz VPXNYNNSVHSTEM-JTQLQIEISA-N 0 3 247.294 2.845 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C2CC(C)C2)c1[O-] ZINC000846152451 588258733 /nfs/dbraw/zinc/25/87/33/588258733.db2.gz BLSRCVHIJWFYFB-YVNMAJEFSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1[O-] ZINC000846174792 588259223 /nfs/dbraw/zinc/25/92/23/588259223.db2.gz YYVRFJRCDQMDSO-NHCYSSNCSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000846175238 588259250 /nfs/dbraw/zinc/25/92/50/588259250.db2.gz YAUMHHCTHKDHTE-SKDRFNHKSA-N 0 3 233.311 2.604 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000846174871 588259337 /nfs/dbraw/zinc/25/93/37/588259337.db2.gz VMJDXYRAIQLLBY-YFKTTZPYSA-N 0 3 247.338 2.850 20 10 BFCDHN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000846203502 588259734 /nfs/dbraw/zinc/25/97/34/588259734.db2.gz HDLXWRIXYGPWCT-RYUDHWBXSA-N 0 3 249.354 2.858 20 10 BFCDHN COCC1(C[NH2+]Cc2cc(C)c(C)cc2[O-])CC1 ZINC000848564787 588398001 /nfs/dbraw/zinc/39/80/01/588398001.db2.gz IIUJHZDJBWUPLX-UHFFFAOYSA-N 0 3 249.354 2.525 20 10 BFCDHN CCc1cccc(C[N@@H+](CC)C2CC2)c1[O-] ZINC000848880445 588416301 /nfs/dbraw/zinc/41/63/01/588416301.db2.gz DSDMBWWXGVSTNI-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1cccc(C[N@H+](CC)C2CC2)c1[O-] ZINC000848880445 588416302 /nfs/dbraw/zinc/41/63/02/588416302.db2.gz DSDMBWWXGVSTNI-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1cccc(C[NH+]2CC(C3CC3)C2)c1[O-] ZINC000848913532 588420062 /nfs/dbraw/zinc/42/00/62/588420062.db2.gz ZXHBIAGHKLWBNX-UHFFFAOYSA-N 0 3 231.339 2.796 20 10 BFCDHN CCc1cccc(CN(C(C)C)C2COC2)c1O ZINC000848914756 588420205 /nfs/dbraw/zinc/42/02/05/588420205.db2.gz SHFMKAJPLPVDTF-UHFFFAOYSA-N 0 3 249.354 2.564 20 10 BFCDHN CCc1cccc(CN2CC(C(F)F)C2)c1O ZINC000848916605 588420727 /nfs/dbraw/zinc/42/07/27/588420727.db2.gz KPSGHQSOMMGEOE-UHFFFAOYSA-N 0 3 241.281 2.652 20 10 BFCDHN CN1CC[C@@H](CSc2ncc(Cl)s2)C1 ZINC000850000262 588513603 /nfs/dbraw/zinc/51/36/03/588513603.db2.gz ODPHSGYQKQINGJ-SSDOTTSWSA-N 0 3 248.804 2.840 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2COC(C)(C)C2)cc1C ZINC000850341238 588537392 /nfs/dbraw/zinc/53/73/92/588537392.db2.gz DASWTPFMUNSNQW-CYBMUJFWSA-N 0 3 249.354 2.666 20 10 BFCDHN CCOc1ccc(C[NH2+][C@@H]2C=CCC2)c([O-])c1 ZINC000850358194 588539195 /nfs/dbraw/zinc/53/91/95/588539195.db2.gz JUNYBHKYGASYBL-GFCCVEGCSA-N 0 3 233.311 2.599 20 10 BFCDHN CN(C)c1ccc(CN[C@H]2C=CCC2)cc1F ZINC000850358898 588539674 /nfs/dbraw/zinc/53/96/74/588539674.db2.gz NRYLUDIJDUXQOM-LBPRGKRZSA-N 0 3 234.318 2.700 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850393274 588543827 /nfs/dbraw/zinc/54/38/27/588543827.db2.gz RJFFPWALZURIEF-AGGWBTHJSA-N 0 3 247.338 2.679 20 10 BFCDHN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000850571136 588561341 /nfs/dbraw/zinc/56/13/41/588561341.db2.gz NBWDDQRJXNITPH-LNSITVRQSA-N 0 3 249.354 2.837 20 10 BFCDHN C/C=C\CNCc1ccc(N(C)C)cc1C ZINC000862529972 589218462 /nfs/dbraw/zinc/21/84/62/589218462.db2.gz IHHTWPLXJWPQFQ-WAYWQWQTSA-N 0 3 218.344 2.727 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CC)CCO)c1ccccc1[O-] ZINC000119239443 589252400 /nfs/dbraw/zinc/25/24/00/589252400.db2.gz SOKLAHXIMFHVMT-WCQYABFASA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@H](CCO)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000119239557 589252582 /nfs/dbraw/zinc/25/25/82/589252582.db2.gz SOKLAHXIMFHVMT-DGCLKSJQSA-N 0 3 237.343 2.594 20 10 BFCDHN COc1cc(C[NH+](C2CC2)C2CC2)c([O-])cc1C ZINC000863302325 589277162 /nfs/dbraw/zinc/27/71/62/589277162.db2.gz BXATYXRANBGWSB-UHFFFAOYSA-N 0 3 247.338 2.836 20 10 BFCDHN CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1ccccc1[O-] ZINC000863543706 589296986 /nfs/dbraw/zinc/29/69/86/589296986.db2.gz WFJOJEUFNQTNGG-MELADBBJSA-N 0 3 248.370 2.573 20 10 BFCDHN CCOc1cccc(CNCC(C)(C)F)c1O ZINC000865654751 589454599 /nfs/dbraw/zinc/45/45/99/589454599.db2.gz UFTWQNBEMYPNFJ-UHFFFAOYSA-N 0 3 241.306 2.629 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c([O-])c1C ZINC000866489155 589496781 /nfs/dbraw/zinc/49/67/81/589496781.db2.gz FHQGKUNYQPJVEY-UBHSHLNASA-N 0 3 249.354 2.573 20 10 BFCDHN Cc1ccc(O)c(CNCc2ccoc2)c1 ZINC000123536817 589748319 /nfs/dbraw/zinc/74/83/19/589748319.db2.gz PFERGKAHISMEQT-UHFFFAOYSA-N 0 3 217.268 2.583 20 10 BFCDHN COc1cc(C)cc(C[N@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000874090345 590090239 /nfs/dbraw/zinc/09/02/39/590090239.db2.gz BZNNRVXGWFJPSD-LLVKDONJSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)cc(C[N@@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000874090345 590090243 /nfs/dbraw/zinc/09/02/43/590090243.db2.gz BZNNRVXGWFJPSD-LLVKDONJSA-N 0 3 249.354 2.940 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCSC1 ZINC000876573603 590217476 /nfs/dbraw/zinc/21/74/76/590217476.db2.gz WOWFIPZGMKUPOT-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H]1CCSC1 ZINC000876573603 590217477 /nfs/dbraw/zinc/21/74/77/590217477.db2.gz WOWFIPZGMKUPOT-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H](C)C1CC1 ZINC000876590427 590219469 /nfs/dbraw/zinc/21/94/69/590219469.db2.gz WRPIXGCGPWJLLO-LLVKDONJSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)[C@H](C)C1CC1 ZINC000876590427 590219470 /nfs/dbraw/zinc/21/94/70/590219470.db2.gz WRPIXGCGPWJLLO-LLVKDONJSA-N 0 3 219.328 2.931 20 10 BFCDHN CCOC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876598478 590220172 /nfs/dbraw/zinc/22/01/72/590220172.db2.gz XPHOPUXTSROOOD-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN CCC[C@H](C[N@H+](C)Cc1ccccc1[O-])OC ZINC000876615863 590222284 /nfs/dbraw/zinc/22/22/84/590222284.db2.gz MXUTUSBLXXCAIK-CYBMUJFWSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[C@H](C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000876615863 590222286 /nfs/dbraw/zinc/22/22/86/590222286.db2.gz MXUTUSBLXXCAIK-CYBMUJFWSA-N 0 3 237.343 2.639 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H]2C(C)C)c([O-])c1 ZINC000876879888 590253010 /nfs/dbraw/zinc/25/30/10/590253010.db2.gz WQOFVPSVRFQVNS-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)c([O-])c1 ZINC000876879888 590253011 /nfs/dbraw/zinc/25/30/11/590253011.db2.gz WQOFVPSVRFQVNS-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(CN[C@H](C)c2ccccn2)c(O)c1 ZINC000876887644 590254279 /nfs/dbraw/zinc/25/42/79/590254279.db2.gz CGXXVZGSPKOPQW-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc(CC[NH2+]Cc2c(C)cccc2[O-])o1 ZINC000876928342 590258230 /nfs/dbraw/zinc/25/82/30/590258230.db2.gz ASMSEFZNTVNVKX-UHFFFAOYSA-N 0 3 245.322 2.934 20 10 BFCDHN C[C@@H](NCc1ccco1)c1ccccc1O ZINC000021957111 590262491 /nfs/dbraw/zinc/26/24/91/590262491.db2.gz CVJDYPGFMZLMLT-SNVBAGLBSA-N 0 3 217.268 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)C ZINC000876970398 590263081 /nfs/dbraw/zinc/26/30/81/590263081.db2.gz QKGUTIGPTFSJOB-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN COCCCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876990210 590265596 /nfs/dbraw/zinc/26/55/96/590265596.db2.gz UFWSJJFEDYPYMG-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN CSC[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877052045 590274821 /nfs/dbraw/zinc/27/48/21/590274821.db2.gz QQQSLQQPTPPDCA-SNVBAGLBSA-N 0 3 225.357 2.542 20 10 BFCDHN CSC(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877064609 590276885 /nfs/dbraw/zinc/27/68/85/590276885.db2.gz BXCXOCIUYJAGSA-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN CCC1(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877077514 590279369 /nfs/dbraw/zinc/27/93/69/590279369.db2.gz LEUMMACCBIAJLU-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2cncc(C)c2)c([O-])c1 ZINC000877123543 590289290 /nfs/dbraw/zinc/28/92/90/590289290.db2.gz XZXBYZBWRFCCGF-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877131887 590290559 /nfs/dbraw/zinc/29/05/59/590290559.db2.gz NKMXTLJNQVODQP-WFASDCNBSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(CN(C)Cc2cccnc2)c(O)c1 ZINC000877169411 590295744 /nfs/dbraw/zinc/29/57/44/590295744.db2.gz OODSJDQTPSJUCW-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CC[C@]1(C)COCCN1Cc1ccc(C)cc1O ZINC000877407173 590324174 /nfs/dbraw/zinc/32/41/74/590324174.db2.gz NGROSLHCJVDKFS-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000877439845 590327802 /nfs/dbraw/zinc/32/78/02/590327802.db2.gz VKBOPODXXVTGLW-LBPRGKRZSA-N 0 3 249.354 2.748 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC[C@@H]1C ZINC000877465599 590333232 /nfs/dbraw/zinc/33/32/32/590333232.db2.gz YEAJBDAAJSILPR-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC[C@@H]1C ZINC000877465599 590333233 /nfs/dbraw/zinc/33/32/33/590333233.db2.gz YEAJBDAAJSILPR-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCSC1 ZINC000877485944 590338944 /nfs/dbraw/zinc/33/89/44/590338944.db2.gz IDJXCUOQGYNKEA-LLVKDONJSA-N 0 3 237.368 2.543 20 10 BFCDHN CCC[C@@]1([NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877517076 590345807 /nfs/dbraw/zinc/34/58/07/590345807.db2.gz IOHSGOPHIFWNQX-OAHLLOKOSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H](C)F ZINC000877552724 590355851 /nfs/dbraw/zinc/35/58/51/590355851.db2.gz WJAJJFSPHJEHIF-SNVBAGLBSA-N 0 3 211.280 2.538 20 10 BFCDHN CC/C=C\C[NH2+]Cc1c(C)cccc1[O-] ZINC000877563071 590359551 /nfs/dbraw/zinc/35/95/51/590359551.db2.gz GFQOLRRHFWUAMC-PLNGDYQASA-N 0 3 205.301 2.756 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000877561274 590359763 /nfs/dbraw/zinc/35/97/63/590359763.db2.gz DMCIOOKNQJTDSY-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000877561274 590359766 /nfs/dbraw/zinc/35/97/66/590359766.db2.gz DMCIOOKNQJTDSY-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN CC[C@](C)(C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877564653 590360694 /nfs/dbraw/zinc/36/06/94/590360694.db2.gz IAIRWOSBSTVGEK-CQSZACIVSA-N 0 3 237.343 2.605 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000877566002 590360958 /nfs/dbraw/zinc/36/09/58/590360958.db2.gz UHBTYVDAABXZFD-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000877566002 590360961 /nfs/dbraw/zinc/36/09/61/590360961.db2.gz UHBTYVDAABXZFD-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000877584807 590367603 /nfs/dbraw/zinc/36/76/03/590367603.db2.gz ZJQIPJXNGAJORR-BETUJISGSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000877588118 590368514 /nfs/dbraw/zinc/36/85/14/590368514.db2.gz LVWVZCZWDWWARE-WDEREUQCSA-N 0 3 237.368 2.684 20 10 BFCDHN COC1CC(CC[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877619831 590375675 /nfs/dbraw/zinc/37/56/75/590375675.db2.gz NYGQUPJZENTTTA-UHFFFAOYSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2C=CCC2)c([O-])c1 ZINC000877624137 590376815 /nfs/dbraw/zinc/37/68/15/590376815.db2.gz KZMFRZSPGHVGDA-LBPRGKRZSA-N 0 3 203.285 2.509 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)c([O-])c1 ZINC000877630854 590377858 /nfs/dbraw/zinc/37/78/58/590377858.db2.gz OAEPWVOXOJMHST-GXTWGEPZSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CC(CC2CC2)C1 ZINC000877646592 590383893 /nfs/dbraw/zinc/38/38/93/590383893.db2.gz KNTFEOXMWHITHQ-UHFFFAOYSA-N 0 3 231.339 2.933 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000877700305 590394859 /nfs/dbraw/zinc/39/48/59/590394859.db2.gz MJWIRCQTZQAAPK-HAQNSBGRSA-N 0 3 237.368 2.684 20 10 BFCDHN CC[C@@H](C)[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703160 590396058 /nfs/dbraw/zinc/39/60/58/590396058.db2.gz UGIBWTHRTLIYAD-ABAIWWIYSA-N 0 3 249.354 2.769 20 10 BFCDHN CC[C@@H](C)[C@H](C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703160 590396060 /nfs/dbraw/zinc/39/60/60/590396060.db2.gz UGIBWTHRTLIYAD-ABAIWWIYSA-N 0 3 249.354 2.769 20 10 BFCDHN CSC1(C[N@@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC000877702903 590396173 /nfs/dbraw/zinc/39/61/73/590396173.db2.gz JJRLSQFSNLXSMO-UHFFFAOYSA-N 0 3 249.379 2.994 20 10 BFCDHN CSC1(C[N@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC000877702903 590396175 /nfs/dbraw/zinc/39/61/75/590396175.db2.gz JJRLSQFSNLXSMO-UHFFFAOYSA-N 0 3 249.379 2.994 20 10 BFCDHN Cc1ccc(C[NH+]2CC(C)(C)C2)c([O-])c1 ZINC000877718064 590400227 /nfs/dbraw/zinc/40/02/27/590400227.db2.gz WGTUDFBAMUXXLM-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1[O-] ZINC000877755559 590416646 /nfs/dbraw/zinc/41/66/46/590416646.db2.gz FOZBGNCVAOUENY-JHJVBQTASA-N 0 3 248.370 2.526 20 10 BFCDHN C[C@@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1[O-] ZINC000877755502 590417032 /nfs/dbraw/zinc/41/70/32/590417032.db2.gz CSMURPJNVXDXEH-VXGBXAGGSA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000877758345 590418414 /nfs/dbraw/zinc/41/84/14/590418414.db2.gz URCGQMDFIFNNHE-MPPDQPJWSA-N 0 3 235.327 2.609 20 10 BFCDHN C[C@@H]([NH2+]CCc1cncs1)c1ccccc1[O-] ZINC000879649333 590841471 /nfs/dbraw/zinc/84/14/71/590841471.db2.gz NPGQIWALZORIAE-SNVBAGLBSA-N 0 3 248.351 2.742 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cncs1 ZINC000133138671 591767862 /nfs/dbraw/zinc/76/78/62/591767862.db2.gz DRDQSCBBDKGMEA-VIFPVBQESA-N 0 3 234.324 2.700 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1CCC1 ZINC000133138458 591768564 /nfs/dbraw/zinc/76/85/64/591768564.db2.gz QXBBFMZMHPTUTP-SNVBAGLBSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@H]([NH2+]CCCF)c1cc(F)ccc1[O-] ZINC000134936196 591962304 /nfs/dbraw/zinc/96/23/04/591962304.db2.gz VRWZQHMLJCGZFU-QMMMGPOBSA-N 0 3 215.243 2.542 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCF)c1 ZINC000134935673 591962320 /nfs/dbraw/zinc/96/23/20/591962320.db2.gz VHUQMRRSXMKKOW-SNVBAGLBSA-N 0 3 211.280 2.711 20 10 BFCDHN Oc1ccccc1CNCc1ccc(Cl)o1 ZINC000136401121 592116952 /nfs/dbraw/zinc/11/69/52/592116952.db2.gz LJGPBLHTMGXYPH-UHFFFAOYSA-N 0 3 237.686 2.928 20 10 BFCDHN CCOC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000313474095 634462342 /nfs/dbraw/zinc/46/23/42/634462342.db2.gz VZQYDDXGZXXVGW-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN CCOC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000313474095 634462347 /nfs/dbraw/zinc/46/23/47/634462347.db2.gz VZQYDDXGZXXVGW-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1[O-] ZINC000309579160 632545697 /nfs/dbraw/zinc/54/56/97/632545697.db2.gz PVXXIYGJWZOBRI-SCVCMEIPSA-N 0 3 237.368 2.794 20 10 BFCDHN CC(C)SCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000309173276 632661002 /nfs/dbraw/zinc/66/10/02/632661002.db2.gz BAKLSPXCUWMTFK-UHFFFAOYSA-N 0 3 243.347 2.763 20 10 BFCDHN CO[C@H](C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000310582596 632759862 /nfs/dbraw/zinc/75/98/62/632759862.db2.gz RSLNUFPGIIPAGV-ZJUUUORDSA-N 0 3 241.306 2.607 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000051992110 632774206 /nfs/dbraw/zinc/77/42/06/632774206.db2.gz WEJSQOCPSZFECS-NFAWXSAZSA-N 0 3 249.354 2.736 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000310004687 634067687 /nfs/dbraw/zinc/06/76/87/634067687.db2.gz GDQWCVGYZFEEHF-CYBMUJFWSA-N 0 3 217.312 2.815 20 10 BFCDHN Cc1cc(O)c(CN2CCOC(C)(C)C2)cc1C ZINC000126272160 635725724 /nfs/dbraw/zinc/72/57/24/635725724.db2.gz WAHLFGSYCFTRPE-UHFFFAOYSA-N 0 3 249.354 2.620 20 10 BFCDHN CC[C@](C)(C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000322659659 636876623 /nfs/dbraw/zinc/87/66/23/636876623.db2.gz ZVLVPFUYJFTKTC-SWLSCSKDSA-N 0 3 249.354 2.784 20 10 BFCDHN C[C@@H]([NH2+]Cc1cncs1)c1ccccc1[O-] ZINC000164651979 640495097 /nfs/dbraw/zinc/49/50/97/640495097.db2.gz SWMXKLIXLZRSTR-SECBINFHSA-N 0 3 234.324 2.700 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2(CCO)CC2)c([O-])c1 ZINC000157518416 640690793 /nfs/dbraw/zinc/69/07/93/640690793.db2.gz WADDTZMPXHQHPO-LBPRGKRZSA-N 0 3 249.354 2.514 20 10 BFCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000226563168 640776132 /nfs/dbraw/zinc/77/61/32/640776132.db2.gz PZEBADFWLBVFGM-GFCCVEGCSA-N 0 3 223.291 2.906 20 10 BFCDHN CC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000226563168 640776138 /nfs/dbraw/zinc/77/61/38/640776138.db2.gz PZEBADFWLBVFGM-GFCCVEGCSA-N 0 3 223.291 2.906 20 10 BFCDHN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565670 640776707 /nfs/dbraw/zinc/77/67/07/640776707.db2.gz IVZMTYOUYJYNAJ-NXEZZACHSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565670 640776712 /nfs/dbraw/zinc/77/67/12/640776712.db2.gz IVZMTYOUYJYNAJ-NXEZZACHSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226583930 640777579 /nfs/dbraw/zinc/77/75/79/640777579.db2.gz XUJRBVJQRYYWTM-JTQLQIEISA-N 0 3 249.285 2.845 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CCC1CCC1 ZINC000226616301 640780352 /nfs/dbraw/zinc/78/03/52/640780352.db2.gz DLMKRAITAIEJCA-UHFFFAOYSA-N 0 3 223.291 2.811 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1[O-] ZINC000226863719 640802247 /nfs/dbraw/zinc/80/22/47/640802247.db2.gz FOZBGNCVAOUENY-XQQFMLRXSA-N 0 3 248.370 2.526 20 10 BFCDHN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1(C)C ZINC000228795657 640895895 /nfs/dbraw/zinc/89/58/95/640895895.db2.gz JSQZWDXFEKFFIE-LEWSCRJBSA-N 0 3 249.354 2.856 20 10 BFCDHN CC[C@H]([NH2+]C1CC(OC)C1)c1ccccc1[O-] ZINC000229578450 640967871 /nfs/dbraw/zinc/96/78/71/640967871.db2.gz IEBBVTLYVPMXLL-XIVSLSHWSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000230406103 641049949 /nfs/dbraw/zinc/04/99/49/641049949.db2.gz CTKHLNMSDBWQQG-NEPJUHHUSA-N 0 3 219.328 2.918 20 10 BFCDHN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000191634237 641934959 /nfs/dbraw/zinc/93/49/59/641934959.db2.gz KLIRFMQZHATSLT-SRVKXCTJSA-N 0 3 237.343 2.775 20 10 BFCDHN COC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCC1 ZINC000183719700 643161229 /nfs/dbraw/zinc/16/12/29/643161229.db2.gz QOJLEUSQYWGPBZ-NSHDSACASA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCCF)c([O-])c1 ZINC000186125801 643449227 /nfs/dbraw/zinc/44/92/27/643449227.db2.gz BDUZYLFUXWGKCE-SNVBAGLBSA-N 0 3 211.280 2.711 20 10 BFCDHN CC1(C)C([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000086239622 643970389 /nfs/dbraw/zinc/97/03/89/643970389.db2.gz QDXZFWHZRNGWGP-UHFFFAOYSA-N 0 3 219.328 2.916 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2(CO)CCC2)c([O-])c1 ZINC000186547486 644036220 /nfs/dbraw/zinc/03/62/20/644036220.db2.gz NMGUXPMWTNHLSW-LBPRGKRZSA-N 0 3 249.354 2.514 20 10 BFCDHN CCOc1ccc(C[NH2+][C@]23C[C@H]2CCC3)c([O-])c1 ZINC000923023197 644236058 /nfs/dbraw/zinc/23/60/58/644236058.db2.gz QJWMAWOHFNBJQX-IUODEOHRSA-N 0 3 247.338 2.823 20 10 BFCDHN CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000249098395 644712251 /nfs/dbraw/zinc/71/22/51/644712251.db2.gz VVAXZCYMZFPTGR-GRYCIOLGSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H](NCc1ccco1)c1cc(F)ccc1O ZINC000094616534 644720817 /nfs/dbraw/zinc/72/08/17/644720817.db2.gz ZFCNRRUFCIFROF-SECBINFHSA-N 0 3 235.258 2.975 20 10 BFCDHN C[C@H]([NH2+]CC1(CCO)CCC1)c1ccccc1[O-] ZINC000783520763 644756114 /nfs/dbraw/zinc/75/61/14/644756114.db2.gz YUNOADBUXRCVPX-LBPRGKRZSA-N 0 3 249.354 2.596 20 10 BFCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000251493459 644806038 /nfs/dbraw/zinc/80/60/38/644806038.db2.gz DFHZNCNFDMHHOU-MPKXVKKWSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000252818006 644911005 /nfs/dbraw/zinc/91/10/05/644911005.db2.gz YXTNPMSEJCIXSN-AVGNSLFASA-N 0 3 249.354 2.655 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])[C@@H](C)O ZINC000386879460 711821108 /nfs/dbraw/zinc/82/11/08/711821108.db2.gz LXPZKLAARLNRIS-WZRBSPASSA-N 0 3 237.343 2.511 20 10 BFCDHN CSC1CC([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000708292414 712185852 /nfs/dbraw/zinc/18/58/52/712185852.db2.gz ZJIBDOJUXLABRU-WHXUTIOJSA-N 0 3 237.368 2.937 20 10 BFCDHN CC1([NH2+]Cc2ccccc2[O-])CC(F)(F)C1 ZINC000720949059 712881842 /nfs/dbraw/zinc/88/18/42/712881842.db2.gz IHPUXWGUUOTDKI-UHFFFAOYSA-N 0 3 227.254 2.670 20 10 BFCDHN CCO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000721207943 712898686 /nfs/dbraw/zinc/89/86/86/712898686.db2.gz PHXPXLHALUDQNA-KBPBESRZSA-N 0 3 249.354 2.830 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000381547068 710654922 /nfs/dbraw/zinc/65/49/22/710654922.db2.gz KWJZERCTJZORLP-QWHCGFSZSA-N 0 3 217.312 2.670 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000381675903 710670739 /nfs/dbraw/zinc/67/07/39/710670739.db2.gz LOQRFBPOVBXDGZ-NSHDSACASA-N 0 3 241.281 2.917 20 10 BFCDHN C[C@@H](F)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000382173595 710804632 /nfs/dbraw/zinc/80/46/32/710804632.db2.gz XETMBLSEXDVVCA-BDAKNGLRSA-N 0 3 229.270 2.930 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000384626185 710945411 /nfs/dbraw/zinc/94/54/11/710945411.db2.gz QRSQCKQTXWVJOY-OWTLIXCDSA-N 0 3 249.354 2.917 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000384626183 710945435 /nfs/dbraw/zinc/94/54/35/710945435.db2.gz QRSQCKQTXWVJOY-CIQGVGRVSA-N 0 3 249.354 2.917 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000384626184 710945292 /nfs/dbraw/zinc/94/52/92/710945292.db2.gz QRSQCKQTXWVJOY-GFQSEFKGSA-N 0 3 249.354 2.917 20 10 BFCDHN Cc1ccoc1CNCc1cc(F)ccc1O ZINC000383560335 710983428 /nfs/dbraw/zinc/98/34/28/710983428.db2.gz BQOMHPRFFHPLFS-UHFFFAOYSA-N 0 3 235.258 2.723 20 10 BFCDHN C/C=C/C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000384856539 710997817 /nfs/dbraw/zinc/99/78/17/710997817.db2.gz LZKNGGZQMCSVTC-ONEGZZNKSA-N 0 3 241.718 2.720 20 10 BFCDHN Cc1ccnc(CN[C@H](C)c2ccccc2O)c1 ZINC000385909849 711018800 /nfs/dbraw/zinc/01/88/00/711018800.db2.gz HVEGNFCOKQUUJH-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccnc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000385909849 711018804 /nfs/dbraw/zinc/01/88/04/711018804.db2.gz HVEGNFCOKQUUJH-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CCCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000389403089 711078310 /nfs/dbraw/zinc/07/83/10/711078310.db2.gz QDMQCKCGJFICRO-STQMWFEESA-N 0 3 248.370 2.527 20 10 BFCDHN CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000389403088 711078599 /nfs/dbraw/zinc/07/85/99/711078599.db2.gz QDMQCKCGJFICRO-QWHCGFSZSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1[O-] ZINC000389651506 711084942 /nfs/dbraw/zinc/08/49/42/711084942.db2.gz WHEFOXZDZUZPMX-JFGNBEQYSA-N 0 3 205.301 2.841 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1[O-] ZINC000389651507 711085683 /nfs/dbraw/zinc/08/56/83/711085683.db2.gz WHEFOXZDZUZPMX-NHCYSSNCSA-N 0 3 205.301 2.841 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c([O-])c1 ZINC000393967059 711180157 /nfs/dbraw/zinc/18/01/57/711180157.db2.gz RNITXIFCRMPMRA-WDEREUQCSA-N 0 3 237.343 2.511 20 10 BFCDHN CC1(C)CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000395181794 711205657 /nfs/dbraw/zinc/20/56/57/711205657.db2.gz NSAWRINLINRKFJ-UHFFFAOYSA-N 0 3 223.291 2.810 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CS1 ZINC000397820215 711392485 /nfs/dbraw/zinc/39/24/85/711392485.db2.gz JTSGIFZOBXMXIF-KCJUWKMLSA-N 0 3 241.331 2.515 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1C2CCC1CC2 ZINC000398874765 711415735 /nfs/dbraw/zinc/41/57/35/711415735.db2.gz GLQMIHOZKVYSBH-UHFFFAOYSA-N 0 3 221.275 2.658 20 10 BFCDHN CCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])COC1 ZINC000393987937 710836485 /nfs/dbraw/zinc/83/64/85/710836485.db2.gz NJYVQTDXUAZBDK-LBPRGKRZSA-N 0 3 249.354 2.778 20 10 BFCDHN COC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)C ZINC000386521988 711031811 /nfs/dbraw/zinc/03/18/11/711031811.db2.gz NSMZBICEOBNADM-STQMWFEESA-N 0 3 249.354 2.640 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)ccc1[O-] ZINC000397742314 711390689 /nfs/dbraw/zinc/39/06/89/711390689.db2.gz IWAAPKZYYCNESY-MWGHHZFTSA-N 0 3 235.302 2.980 20 10 BFCDHN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1[O-] ZINC000397888226 711395144 /nfs/dbraw/zinc/39/51/44/711395144.db2.gz ONNWCARMJGEYKP-OUAUKWLOSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1[O-] ZINC000397888224 711395305 /nfs/dbraw/zinc/39/53/05/711395305.db2.gz ONNWCARMJGEYKP-MXWKQRLJSA-N 0 3 237.368 2.937 20 10 BFCDHN CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000385859902 711461317 /nfs/dbraw/zinc/46/13/17/711461317.db2.gz RTJFMAYFUITAFC-CHWSQXEVSA-N 0 3 219.328 2.916 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccccc1[O-] ZINC000386339311 711515242 /nfs/dbraw/zinc/51/52/42/711515242.db2.gz NLRNYECLUNCJLA-UKRRQHHQSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+]CCF)c2c1c(F)ccc2[O-] ZINC000393785055 711678690 /nfs/dbraw/zinc/67/86/90/711678690.db2.gz WZFTUVWTGRLVCS-APPZFPTMSA-N 0 3 227.254 2.639 20 10 BFCDHN C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1[O-] ZINC000396553454 711701669 /nfs/dbraw/zinc/70/16/69/711701669.db2.gz UIMARZXNBPRQFT-GHMZBOCLSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccccc1[O-] ZINC000706483235 712147195 /nfs/dbraw/zinc/14/71/95/712147195.db2.gz IEBBVTLYVPMXLL-NQBHXWOUSA-N 0 3 235.327 2.610 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706523627 712149334 /nfs/dbraw/zinc/14/93/34/712149334.db2.gz MBXGMUBLUJSYCF-CYBMUJFWSA-N 0 3 217.312 2.815 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CCCC23CC3)c([O-])c1 ZINC000706955699 712163582 /nfs/dbraw/zinc/16/35/82/712163582.db2.gz ONKSIZMQJPNALS-AWEZNQCLSA-N 0 3 247.338 2.823 20 10 BFCDHN Cc1cccc(CN2CCO[C@H](C(C)C)C2)c1O ZINC000709019584 712206281 /nfs/dbraw/zinc/20/62/81/712206281.db2.gz KMWLPNNQSUDZTL-AWEZNQCLSA-N 0 3 249.354 2.557 20 10 BFCDHN COCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000709303969 712219343 /nfs/dbraw/zinc/21/93/43/712219343.db2.gz NSASNKRIUGODBZ-GFCCVEGCSA-N 0 3 249.354 2.778 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711477095 712305222 /nfs/dbraw/zinc/30/52/22/712305222.db2.gz OXPKBZZSAQHPDV-SNVBAGLBSA-N 0 3 241.281 2.713 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711477095 712305224 /nfs/dbraw/zinc/30/52/24/712305224.db2.gz OXPKBZZSAQHPDV-SNVBAGLBSA-N 0 3 241.281 2.713 20 10 BFCDHN Cc1cc(CN[C@H](C)c2cc(C)ccc2O)[nH]n1 ZINC000716460685 712562828 /nfs/dbraw/zinc/56/28/28/712562828.db2.gz UYMPYCKXXDIWOE-LLVKDONJSA-N 0 3 245.326 2.583 20 10 BFCDHN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000716815089 712576416 /nfs/dbraw/zinc/57/64/16/712576416.db2.gz PKNGPEHZQQHKQW-GRYCIOLGSA-N 0 3 237.343 2.592 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccccc1[O-] ZINC000719550660 712809388 /nfs/dbraw/zinc/80/93/88/712809388.db2.gz HRJMHKXLATTXGZ-UBHSHLNASA-N 0 3 248.370 2.526 20 10 BFCDHN COC(C)(C)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000720201369 712829346 /nfs/dbraw/zinc/82/93/46/712829346.db2.gz KIAPSARXNLADEA-PWSUYJOCSA-N 0 3 249.354 2.783 20 10 BFCDHN CCc1ccc(C[N@H+](C)CC2CC2)c([O-])c1 ZINC001236782346 979730730 /nfs/dbraw/zinc/73/07/30/979730730.db2.gz APSGXMXSNZDAJL-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1ccc(C[N@@H+](C)CC2CC2)c([O-])c1 ZINC001236782346 979730737 /nfs/dbraw/zinc/73/07/37/979730737.db2.gz APSGXMXSNZDAJL-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CC[C@@H](C)[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236806994 979736259 /nfs/dbraw/zinc/73/62/59/979736259.db2.gz BJXSEXRWVHMASN-LLVKDONJSA-N 0 3 237.343 2.940 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC001238055699 980131829 /nfs/dbraw/zinc/13/18/29/980131829.db2.gz BXQYCHMMTDYJOZ-JTQLQIEISA-N 0 3 223.291 2.824 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC001238055699 980131833 /nfs/dbraw/zinc/13/18/33/980131833.db2.gz BXQYCHMMTDYJOZ-JTQLQIEISA-N 0 3 223.291 2.824 20 10 BFCDHN C[C@@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC001257078574 971092530 /nfs/dbraw/zinc/09/25/30/971092530.db2.gz OBEMWBGRSHAQBM-SDDRHHMPSA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@H](NCc1ccns1)c1ccccc1O ZINC000404327561 971158839 /nfs/dbraw/zinc/15/88/39/971158839.db2.gz NKAVMDWDBWRZGQ-VIFPVBQESA-N 0 3 234.324 2.700 20 10 BFCDHN C[C@H]([NH2+]Cc1ccns1)c1ccccc1[O-] ZINC000404327561 971158842 /nfs/dbraw/zinc/15/88/42/971158842.db2.gz NKAVMDWDBWRZGQ-VIFPVBQESA-N 0 3 234.324 2.700 20 10 BFCDHN CC1CC([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC001140057786 957504028 /nfs/dbraw/zinc/50/40/28/957504028.db2.gz MIKNIZHZYWCSPA-UHFFFAOYSA-N 0 3 223.291 2.762 20 10 BFCDHN CC1CC([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC001140057786 957504040 /nfs/dbraw/zinc/50/40/40/957504040.db2.gz MIKNIZHZYWCSPA-UHFFFAOYSA-N 0 3 223.291 2.762 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c([O-])c1 ZINC000316829723 972295349 /nfs/dbraw/zinc/29/53/49/972295349.db2.gz VREFXRNJELHOCI-ABAIWWIYSA-N 0 3 249.354 2.512 20 10 BFCDHN CCCO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140949565 960742083 /nfs/dbraw/zinc/74/20/83/960742083.db2.gz DXDQGRNALZQSJA-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CCCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140949565 960742093 /nfs/dbraw/zinc/74/20/93/960742093.db2.gz DXDQGRNALZQSJA-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CCC1 ZINC000692872488 961014031 /nfs/dbraw/zinc/01/40/31/961014031.db2.gz PYKPCUIOJCLULT-ABAIWWIYSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c([O-])c1 ZINC000402057332 961737702 /nfs/dbraw/zinc/73/77/02/961737702.db2.gz RYIMGNJEQZUODZ-GRYCIOLGSA-N 0 3 235.327 2.529 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000384154195 963959913 /nfs/dbraw/zinc/95/99/13/963959913.db2.gz QYSDAUGDDXEMIV-JTQLQIEISA-N 0 3 245.244 2.776 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000384154195 963959917 /nfs/dbraw/zinc/95/99/17/963959917.db2.gz QYSDAUGDDXEMIV-JTQLQIEISA-N 0 3 245.244 2.776 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C=CCC1)CC2 ZINC000698268847 965166503 /nfs/dbraw/zinc/16/65/03/965166503.db2.gz ZOOFGUGAUTXHFQ-VXGBXAGGSA-N 0 3 215.296 2.688 20 10 BFCDHN C[C@H]([NH2+][C@H]1C=CCC1)c1cc(F)ccc1[O-] ZINC000698279323 965167423 /nfs/dbraw/zinc/16/74/23/965167423.db2.gz VDJRHPCBKRTVKG-ONGXEEELSA-N 0 3 221.275 2.901 20 10 BFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC3)c2c1 ZINC001234519371 965841188 /nfs/dbraw/zinc/84/11/88/965841188.db2.gz WJVJKNWAEFXHCU-UHFFFAOYSA-N 0 3 243.306 2.760 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCCC12CC2 ZINC001203547240 966684408 /nfs/dbraw/zinc/68/44/08/966684408.db2.gz JQUYNFZZUUOXIK-UHFFFAOYSA-N 0 3 203.285 2.521 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCCC12CC2 ZINC001203547240 966684423 /nfs/dbraw/zinc/68/44/23/966684423.db2.gz JQUYNFZZUUOXIK-UHFFFAOYSA-N 0 3 203.285 2.521 20 10 BFCDHN COCC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC001203555880 966688556 /nfs/dbraw/zinc/68/85/56/966688556.db2.gz IIMDIRAHVQZVFA-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN COCC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC001203555880 966688567 /nfs/dbraw/zinc/68/85/67/966688567.db2.gz IIMDIRAHVQZVFA-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN COc1ccc(C[N@H+](C)C[C@@H]2CC2(C)C)c([O-])c1 ZINC001203629378 966716209 /nfs/dbraw/zinc/71/62/09/966716209.db2.gz YYIHFWBYMNNILA-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c([O-])c1 ZINC001203629378 966716229 /nfs/dbraw/zinc/71/62/29/966716229.db2.gz YYIHFWBYMNNILA-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN CCC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204276610 966955724 /nfs/dbraw/zinc/95/57/24/966955724.db2.gz OLKWJDYKHXBHCT-UHFFFAOYSA-N 0 3 235.327 2.720 20 10 BFCDHN CN(Cc1ccsc1)Cc1ccc(O)cc1O ZINC001204278888 966961357 /nfs/dbraw/zinc/96/13/57/966961357.db2.gz LVWAXTCRCLAROL-UHFFFAOYSA-N 0 3 249.335 2.791 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC=C(C)CC2)c([O-])c1 ZINC001204768847 967161319 /nfs/dbraw/zinc/16/13/19/967161319.db2.gz NGMITISZVVPUTO-UHFFFAOYSA-N 0 3 247.338 2.861 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC=C(C)CC2)c([O-])c1 ZINC001204768847 967161325 /nfs/dbraw/zinc/16/13/25/967161325.db2.gz NGMITISZVVPUTO-UHFFFAOYSA-N 0 3 247.338 2.861 20 10 BFCDHN CCc1cc(Nc2c(O)cccc2F)ccn1 ZINC001249990616 967238549 /nfs/dbraw/zinc/23/85/49/967238549.db2.gz NXSLIPBPMVMGKL-UHFFFAOYSA-N 0 3 232.258 2.654 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000701578911 967816045 /nfs/dbraw/zinc/81/60/45/967816045.db2.gz FBVCHWIYTUVNHI-GFCCVEGCSA-N 0 3 237.318 2.964 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000701578911 967816047 /nfs/dbraw/zinc/81/60/47/967816047.db2.gz FBVCHWIYTUVNHI-GFCCVEGCSA-N 0 3 237.318 2.964 20 10 BFCDHN CCc1cc(Nc2ccc(C)cc2O)ccn1 ZINC001206267976 968187302 /nfs/dbraw/zinc/18/73/02/968187302.db2.gz MTCSADAXAAIXRB-UHFFFAOYSA-N 0 3 228.295 2.824 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C=CCC1)c1ccccc1[O-] ZINC000698334317 968336653 /nfs/dbraw/zinc/33/66/53/968336653.db2.gz VMIUVLVXRIBSOA-WDEREUQCSA-N 0 3 203.285 2.761 20 10 BFCDHN CCCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001252111368 968595625 /nfs/dbraw/zinc/59/56/25/968595625.db2.gz STAYKAXDRHKMIQ-VXGBXAGGSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1COC(C)(C)C1 ZINC001172288958 974554029 /nfs/dbraw/zinc/55/40/29/974554029.db2.gz PAIYQUKJNDJDML-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1COC(C)(C)C1 ZINC001172288958 974554037 /nfs/dbraw/zinc/55/40/37/974554037.db2.gz PAIYQUKJNDJDML-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN CCOCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172412947 974680214 /nfs/dbraw/zinc/68/02/14/974680214.db2.gz XTYMIKQILPCLGY-VXGBXAGGSA-N 0 3 237.343 2.858 20 10 BFCDHN CCOCC[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001172433451 974718214 /nfs/dbraw/zinc/71/82/14/974718214.db2.gz PVICFBULCXZIPK-LBPRGKRZSA-N 0 3 249.354 2.565 20 10 BFCDHN CCOCC[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001172433451 974718218 /nfs/dbraw/zinc/71/82/18/974718218.db2.gz PVICFBULCXZIPK-LBPRGKRZSA-N 0 3 249.354 2.565 20 10 BFCDHN Cc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001231845441 977760900 /nfs/dbraw/zinc/76/09/00/977760900.db2.gz ZXMQUYPFZSEWBQ-OBJOEFQTSA-N 0 3 249.329 2.799 20 10 BFCDHN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277396 978930554 /nfs/dbraw/zinc/93/05/54/978930554.db2.gz CLGBEENNXPTUJT-PHIMTYICSA-N 0 3 235.327 2.576 20 10 BFCDHN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277396 978930559 /nfs/dbraw/zinc/93/05/59/978930559.db2.gz CLGBEENNXPTUJT-PHIMTYICSA-N 0 3 235.327 2.576 20 10 BFCDHN CCc1ccc(CN2CC3(CSC3)C2)c(O)c1 ZINC001236787156 979728386 /nfs/dbraw/zinc/72/83/86/979728386.db2.gz HDLSBMHOODEFCA-UHFFFAOYSA-N 0 3 249.379 2.503 20 10 BFCDHN CCc1ccc(CN2CCOC(C)(C)C2)c(O)c1 ZINC001236783627 979730670 /nfs/dbraw/zinc/73/06/70/979730670.db2.gz NHPBMLWVHPXHHU-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001236782532 979732467 /nfs/dbraw/zinc/73/24/67/979732467.db2.gz CADIEAJDEMVKQB-RYUDHWBXSA-N 0 3 249.354 2.564 20 10 BFCDHN CC[C@@H](C)[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236806994 979736252 /nfs/dbraw/zinc/73/62/52/979736252.db2.gz BJXSEXRWVHMASN-LLVKDONJSA-N 0 3 237.343 2.940 20 10 BFCDHN COc1cc(C)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC001183103776 979737416 /nfs/dbraw/zinc/73/74/16/979737416.db2.gz NOCFWGPSRVAZQQ-JJLQDPRZSA-N 0 3 247.338 2.597 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001236806762 979738418 /nfs/dbraw/zinc/73/84/18/979738418.db2.gz AUOABDHSKCDPJK-UHFFFAOYSA-N 0 3 247.338 2.695 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001236806762 979738427 /nfs/dbraw/zinc/73/84/27/979738427.db2.gz AUOABDHSKCDPJK-UHFFFAOYSA-N 0 3 247.338 2.695 20 10 BFCDHN CC[NH+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001236818579 979745696 /nfs/dbraw/zinc/74/56/96/979745696.db2.gz OVNVBINSUYRVGV-UHFFFAOYSA-N 0 3 223.316 2.551 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001237046641 979806637 /nfs/dbraw/zinc/80/66/37/979806637.db2.gz PEKOCBZLRIVXGR-RISCZKNCSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001237046641 979806642 /nfs/dbraw/zinc/80/66/42/979806642.db2.gz PEKOCBZLRIVXGR-RISCZKNCSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001237042053 979807376 /nfs/dbraw/zinc/80/73/76/979807376.db2.gz FAVMWNUHXBGDSG-WCQYABFASA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001237042053 979807377 /nfs/dbraw/zinc/80/73/77/979807377.db2.gz FAVMWNUHXBGDSG-WCQYABFASA-N 0 3 247.338 2.775 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@@H](C)C1 ZINC001237490916 979917323 /nfs/dbraw/zinc/91/73/23/979917323.db2.gz JHYZUEKIKDEIEA-STQMWFEESA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@@H](C)C1 ZINC001237490916 979917333 /nfs/dbraw/zinc/91/73/33/979917333.db2.gz JHYZUEKIKDEIEA-STQMWFEESA-N 0 3 249.354 2.700 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001346029255 980733189 /nfs/dbraw/zinc/73/31/89/980733189.db2.gz MHBHESWWCVECCJ-VXGBXAGGSA-N 0 3 223.291 2.763 20 10 BFCDHN Cn1ccc2ccc(-c3ccc(CN)nc3)cc21 ZINC001240574356 981484654 /nfs/dbraw/zinc/48/46/54/981484654.db2.gz HYWDANLQKXDYHF-UHFFFAOYSA-N 0 3 237.306 2.699 20 10 BFCDHN CC[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001257442411 985021115 /nfs/dbraw/zinc/02/11/15/985021115.db2.gz BSTVVFBDZYHEEM-JTQLQIEISA-N 0 3 205.301 2.549 20 10 BFCDHN CC[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001257442411 985021128 /nfs/dbraw/zinc/02/11/28/985021128.db2.gz BSTVVFBDZYHEEM-JTQLQIEISA-N 0 3 205.301 2.549 20 10 BFCDHN CC[C@@]1(C)COCCN1Cc1cc(C)ccc1O ZINC000687967046 985427751 /nfs/dbraw/zinc/42/77/51/985427751.db2.gz VBTZFGUNTSYZAJ-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN C[C@@]1(F)CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137833109 990857153 /nfs/dbraw/zinc/85/71/53/990857153.db2.gz SZJSUMZGEPCNAB-CYBMUJFWSA-N 0 3 241.281 2.855 20 10 BFCDHN C[C@@]1(F)CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137833109 990857155 /nfs/dbraw/zinc/85/71/55/990857155.db2.gz SZJSUMZGEPCNAB-CYBMUJFWSA-N 0 3 241.281 2.855 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC12CC2 ZINC001140057801 991507606 /nfs/dbraw/zinc/50/76/06/991507606.db2.gz MZJKQXWTWCTHCU-UHFFFAOYSA-N 0 3 221.275 2.660 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC12CC2 ZINC001140057801 991507612 /nfs/dbraw/zinc/50/76/12/991507612.db2.gz MZJKQXWTWCTHCU-UHFFFAOYSA-N 0 3 221.275 2.660 20 10 BFCDHN Cc1ccc(C)c(CN2CC(C(F)F)C2)c1O ZINC001140185228 991555585 /nfs/dbraw/zinc/55/55/85/991555585.db2.gz SYAMFLDMQFWMJE-UHFFFAOYSA-N 0 3 241.281 2.706 20 10 BFCDHN CCOc1cccc(CNC(C)(C)CF)c1O ZINC001320340084 992176616 /nfs/dbraw/zinc/17/66/16/992176616.db2.gz FBVHOFYBTRBTFG-UHFFFAOYSA-N 0 3 241.306 2.629 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000228552077 187323536 /nfs/dbraw/zinc/32/35/36/187323536.db2.gz QBYAKCIOGPWTIX-LLVKDONJSA-N 0 3 237.368 2.543 20 10 BFCDHN CCC[C@H](C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000293801353 398188555 /nfs/dbraw/zinc/18/85/55/398188555.db2.gz YGZYOXSRZWPSFR-VXGBXAGGSA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1cc(O)c(CN2CCC[C@@H]2CF)cc1C ZINC000293933764 178194740 /nfs/dbraw/zinc/19/47/40/178194740.db2.gz HOMXMZQBCCBIOY-CYBMUJFWSA-N 0 3 237.318 2.943 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1C ZINC000271307833 178196864 /nfs/dbraw/zinc/19/68/64/178196864.db2.gz WATLPLHEXUIJFG-TZMCWYRMSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCOC[C@H]2C)cc1C ZINC000277878417 178197765 /nfs/dbraw/zinc/19/77/65/178197765.db2.gz NVHIKIMHSZLLDG-OCCSQVGLSA-N 0 3 249.354 2.524 20 10 BFCDHN CCC(CC)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020086029 168390334 /nfs/dbraw/zinc/39/03/34/168390334.db2.gz WIDRIPZZKFQUCI-UHFFFAOYSA-N 0 3 223.316 2.679 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1[O-] ZINC000035733337 342890956 /nfs/dbraw/zinc/89/09/56/342890956.db2.gz KQCOTRDNGRTBAZ-NXEZZACHSA-N 0 3 205.301 2.841 20 10 BFCDHN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019959998 342964969 /nfs/dbraw/zinc/96/49/69/342964969.db2.gz PIZNCZPIFFVWHE-QWHCGFSZSA-N 0 3 248.370 2.527 20 10 BFCDHN CC1(C)SC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000282836269 187241052 /nfs/dbraw/zinc/24/10/52/187241052.db2.gz OMOAJDXPTOVCCA-ZDUSSCGKSA-N 0 3 249.379 2.605 20 10 BFCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])C(C)C ZINC000042584861 343444370 /nfs/dbraw/zinc/44/43/70/343444370.db2.gz TXAHOWTXSUSJMM-LBPRGKRZSA-N 0 3 237.343 2.925 20 10 BFCDHN CO[C@]1(C)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000280128711 187342357 /nfs/dbraw/zinc/34/23/57/187342357.db2.gz CHKFLLMOMVKBKR-OAHLLOKOSA-N 0 3 249.354 2.783 20 10 BFCDHN CO[C@]1(C)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000280128711 187342359 /nfs/dbraw/zinc/34/23/59/187342359.db2.gz CHKFLLMOMVKBKR-OAHLLOKOSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1cccc(C[N@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000124592747 179066084 /nfs/dbraw/zinc/06/60/84/179066084.db2.gz KEBKFYFZTGKXBF-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(C[N@@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000124592747 179066089 /nfs/dbraw/zinc/06/60/89/179066089.db2.gz KEBKFYFZTGKXBF-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(C[NH2+]CCC(C)(F)F)c1[O-] ZINC000294095665 179089977 /nfs/dbraw/zinc/08/99/77/179089977.db2.gz BNJYNQUAFUJCEE-UHFFFAOYSA-N 0 3 229.270 2.836 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1[O-] ZINC000162862299 179101169 /nfs/dbraw/zinc/10/11/69/179101169.db2.gz KLRIMTGQHFHPIQ-GWCFXTLKSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CC2(C)C)c1[O-] ZINC000162829376 179101682 /nfs/dbraw/zinc/10/16/82/179101682.db2.gz ZIFCCBIEACLBDS-NSHDSACASA-N 0 3 205.301 2.589 20 10 BFCDHN CC(C)=CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000191627683 188254543 /nfs/dbraw/zinc/25/45/43/188254543.db2.gz OENHHZVODBRGFF-UHFFFAOYSA-N 0 3 205.301 2.756 20 10 BFCDHN CC1(C)SC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296619783 188269779 /nfs/dbraw/zinc/26/97/79/188269779.db2.gz ZBJINAGPKRWJPR-CMPLNLGQSA-N 0 3 249.379 2.863 20 10 BFCDHN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000163213436 188360907 /nfs/dbraw/zinc/36/09/07/188360907.db2.gz VWMLSMAZELJVAJ-ZFWWWQNUSA-N 0 3 249.354 2.685 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H](C)OC)c1ccc(C)cc1[O-] ZINC000280082736 188383218 /nfs/dbraw/zinc/38/32/18/188383218.db2.gz LUXJHDUPMATSEA-YPMHNXCESA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(C)(C)O ZINC000294988718 364779047 /nfs/dbraw/zinc/77/90/47/364779047.db2.gz LDJZTERSASWIPJ-ZWNOBZJWSA-N 0 3 237.343 2.592 20 10 BFCDHN CC(C)=CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296587348 364785014 /nfs/dbraw/zinc/78/50/14/364785014.db2.gz WOJCULMEHNALCH-GFCCVEGCSA-N 0 3 217.312 2.935 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCOCC1)CC2 ZINC000296648365 364785688 /nfs/dbraw/zinc/78/56/88/364785688.db2.gz DGJKKTXDUJJYMX-CHWSQXEVSA-N 0 3 247.338 2.538 20 10 BFCDHN CCC[N@H+](CC)Cc1cc(F)ccc1[O-] ZINC000226561122 169129451 /nfs/dbraw/zinc/12/94/51/169129451.db2.gz MVYRYTRDTADJMI-UHFFFAOYSA-N 0 3 211.280 2.763 20 10 BFCDHN CCC[N@@H+](CC)Cc1cc(F)ccc1[O-] ZINC000226561122 169129453 /nfs/dbraw/zinc/12/94/53/169129453.db2.gz MVYRYTRDTADJMI-UHFFFAOYSA-N 0 3 211.280 2.763 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CC1CCCC1 ZINC000226583893 183274456 /nfs/dbraw/zinc/27/44/56/183274456.db2.gz BWIYTPZBLQWLIP-UHFFFAOYSA-N 0 3 223.291 2.811 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(F)c1 ZINC000083380245 183274831 /nfs/dbraw/zinc/27/48/31/183274831.db2.gz STBPJHRPVBQPQZ-UHFFFAOYSA-N 0 3 249.260 2.960 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1CCC1)CC2 ZINC000295784977 183296755 /nfs/dbraw/zinc/29/67/55/183296755.db2.gz BDLSUCMSRZVDOF-LBPRGKRZSA-N 0 3 217.312 2.769 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCCO1)CC2 ZINC000296004270 183296845 /nfs/dbraw/zinc/29/68/45/183296845.db2.gz OOIPENPBHZRXGL-STQMWFEESA-N 0 3 247.338 2.538 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000132775908 183302494 /nfs/dbraw/zinc/30/24/94/183302494.db2.gz FHUWVJGXAWDAJS-TXEJJXNPSA-N 0 3 217.312 2.624 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000132775908 183302495 /nfs/dbraw/zinc/30/24/95/183302495.db2.gz FHUWVJGXAWDAJS-TXEJJXNPSA-N 0 3 217.312 2.624 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000045628688 183303105 /nfs/dbraw/zinc/30/31/05/183303105.db2.gz OXWHMKMOZQGPJK-LBPRGKRZSA-N 0 3 217.312 2.838 20 10 BFCDHN CCCOc1ccc(C[N@H+](C)C2CC2)c([O-])c1 ZINC000153786277 169318819 /nfs/dbraw/zinc/31/88/19/169318819.db2.gz QGYJNMGCXATCBE-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCCOc1ccc(C[N@@H+](C)C2CC2)c([O-])c1 ZINC000153786277 169318820 /nfs/dbraw/zinc/31/88/20/169318820.db2.gz QGYJNMGCXATCBE-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCC[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019902803 169370985 /nfs/dbraw/zinc/37/09/85/169370985.db2.gz TUXQFVBRBTWVRM-SNVBAGLBSA-N 0 3 223.316 2.679 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)C)c1 ZINC000070955281 383970958 /nfs/dbraw/zinc/97/09/58/383970958.db2.gz FUFDSMJUKSTXHC-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000091860257 384116484 /nfs/dbraw/zinc/11/64/84/384116484.db2.gz WRWZYKLJCGERTC-RYUDHWBXSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000091860257 384116487 /nfs/dbraw/zinc/11/64/87/384116487.db2.gz WRWZYKLJCGERTC-RYUDHWBXSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000070955754 384143065 /nfs/dbraw/zinc/14/30/65/384143065.db2.gz XBERAGVIKDVRBH-YPMHNXCESA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ncc(CNCc2cc(C)ccc2O)s1 ZINC000071408305 384165791 /nfs/dbraw/zinc/16/57/91/384165791.db2.gz QAGMUBRGBIOKBB-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN CC[C@H](O)CC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000119248805 384251287 /nfs/dbraw/zinc/25/12/87/384251287.db2.gz JHIJAADORWYRJV-AAEUAGOBSA-N 0 3 237.343 2.594 20 10 BFCDHN CCOC[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093839291 384271723 /nfs/dbraw/zinc/27/17/23/384271723.db2.gz MPLODLCPPFPZKQ-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093839291 384271725 /nfs/dbraw/zinc/27/17/25/384271725.db2.gz MPLODLCPPFPZKQ-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618289 384307613 /nfs/dbraw/zinc/30/76/13/384307613.db2.gz XOJNAQDMZUIUJI-ONGXEEELSA-N 0 3 241.306 2.607 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000094941732 384318437 /nfs/dbraw/zinc/31/84/37/384318437.db2.gz CLHKUXZWXXGZPO-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN CCC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000135623581 384456501 /nfs/dbraw/zinc/45/65/01/384456501.db2.gz XNIGJGFSERZWLB-UHFFFAOYSA-N 0 3 249.310 2.543 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CC)COC)c1ccccc1[O-] ZINC000079737059 384510928 /nfs/dbraw/zinc/51/09/28/384510928.db2.gz PBKFQVAFNBWJJD-WCQYABFASA-N 0 3 237.343 2.858 20 10 BFCDHN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccccc1[O-] ZINC000097929314 384579297 /nfs/dbraw/zinc/57/92/97/384579297.db2.gz QWMCXKRIILGVDI-LBPRGKRZSA-N 0 3 248.370 2.527 20 10 BFCDHN CO[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C(C)C ZINC000294102641 384660713 /nfs/dbraw/zinc/66/07/13/384660713.db2.gz CCCSBGNGBGVRIL-JSGCOSHPSA-N 0 3 249.354 2.640 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051996479 384707903 /nfs/dbraw/zinc/70/79/03/384707903.db2.gz FSAIBAAZVDIQDU-WHOFXGATSA-N 0 3 249.354 2.655 20 10 BFCDHN CCC[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000162533150 384762621 /nfs/dbraw/zinc/76/26/21/384762621.db2.gz MFWYOCLCBJYIIW-NSHDSACASA-N 0 3 207.317 2.918 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2CCOCC2)c1 ZINC000104191325 384811032 /nfs/dbraw/zinc/81/10/32/384811032.db2.gz SWYDRKNZZZHNMV-LBPRGKRZSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@H]([NH2+]C[C@](C)(O)CC)c1ccccc1[O-] ZINC000087013406 385062859 /nfs/dbraw/zinc/06/28/59/385062859.db2.gz SNIPETYAPCLPKF-GXTWGEPZSA-N 0 3 237.343 2.594 20 10 BFCDHN CCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111331 385072901 /nfs/dbraw/zinc/07/29/01/385072901.db2.gz MEKIGASVRXEBSQ-VIFPVBQESA-N 0 3 211.280 2.982 20 10 BFCDHN CSCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111413 385075875 /nfs/dbraw/zinc/07/58/75/385075875.db2.gz ISVKPNYQULUWTE-VIFPVBQESA-N 0 3 243.347 2.935 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000128445704 385036931 /nfs/dbraw/zinc/03/69/31/385036931.db2.gz RSIOSWZDHMAXNL-SCRDCRAPSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000109544673 385173039 /nfs/dbraw/zinc/17/30/39/385173039.db2.gz JIBPEPCWQRQIQV-NEPJUHHUSA-N 0 3 235.327 2.530 20 10 BFCDHN CC[C@@H]([NH2+]C1CC1)c1ccc(C)cc1[O-] ZINC000280094014 385255111 /nfs/dbraw/zinc/25/51/11/385255111.db2.gz MRKYSBGEBDZYJC-GFCCVEGCSA-N 0 3 205.301 2.904 20 10 BFCDHN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000191644280 385312702 /nfs/dbraw/zinc/31/27/02/385312702.db2.gz KSQINGXFYMMBHF-GUBZILKMSA-N 0 3 241.306 2.605 20 10 BFCDHN COc1cc(Cl)cc(C[NH2+]C2CCC2)c1[O-] ZINC000130778635 385284437 /nfs/dbraw/zinc/28/44/37/385284437.db2.gz USIUAIHNSQKKOP-UHFFFAOYSA-N 0 3 241.718 2.696 20 10 BFCDHN CC[C@H]1CO[C@H](C)CN1Cc1cc(C)ccc1O ZINC000131483160 385337654 /nfs/dbraw/zinc/33/76/54/385337654.db2.gz LKEGQVOAGLYMPS-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]([NH2+]CCF)c1ccc(C)cc1[O-] ZINC000280878828 385379987 /nfs/dbraw/zinc/37/99/87/385379987.db2.gz AUJHOILJHCXUGA-NSHDSACASA-N 0 3 211.280 2.711 20 10 BFCDHN CSC1(C[NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000193365784 385394999 /nfs/dbraw/zinc/39/49/99/385394999.db2.gz VFZSCWCHMUICJX-UHFFFAOYSA-N 0 3 237.368 2.686 20 10 BFCDHN C[C@@H]([NH2+]CCCCCCO)c1ccccc1[O-] ZINC000179903360 385500094 /nfs/dbraw/zinc/50/00/94/385500094.db2.gz MRTWEUDVFFNZPC-GFCCVEGCSA-N 0 3 237.343 2.596 20 10 BFCDHN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccccc1[O-] ZINC000280902409 385617820 /nfs/dbraw/zinc/61/78/20/385617820.db2.gz FUVOQASDGKAWSU-AAEUAGOBSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000252807636 385662022 /nfs/dbraw/zinc/66/20/22/385662022.db2.gz IZIBXPXEWSGANZ-AGIUHOORSA-N 0 3 249.354 2.776 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])[C@@H](C)C1 ZINC000282226414 385744032 /nfs/dbraw/zinc/74/40/32/385744032.db2.gz IINGUZVBHYRTFZ-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])[C@@H](C)C1 ZINC000282226414 385744034 /nfs/dbraw/zinc/74/40/34/385744034.db2.gz IINGUZVBHYRTFZ-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cn[nH]c1 ZINC000230669631 385747290 /nfs/dbraw/zinc/74/72/90/385747290.db2.gz DAQDWMNRSMJYBW-IUCAKERBSA-N 0 3 249.289 2.666 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCSC2)c1 ZINC000230667548 385748128 /nfs/dbraw/zinc/74/81/28/385748128.db2.gz LWDPJFDHSFSAFC-GHMZBOCLSA-N 0 3 237.368 2.857 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCOCC2)c([O-])c1 ZINC000186234754 385749869 /nfs/dbraw/zinc/74/98/69/385749869.db2.gz ZCGAKOZXAIQOLB-STQMWFEESA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)c([O-])c1C ZINC000273387005 385995025 /nfs/dbraw/zinc/99/50/25/385995025.db2.gz JSWBUNYVUFVEPZ-QWHCGFSZSA-N 0 3 249.354 2.839 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCOCC2)c([O-])c1C ZINC000273437579 386002525 /nfs/dbraw/zinc/00/25/25/386002525.db2.gz XNMKPSZKGFAVKM-GFCCVEGCSA-N 0 3 249.354 2.839 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000130722365 386181868 /nfs/dbraw/zinc/18/18/68/386181868.db2.gz SQFONVAGLBBSCY-UHFFFAOYSA-N 0 3 231.339 2.980 20 10 BFCDHN CCN(CC)c1ccc(CN[C@@H](C)CF)cc1 ZINC000288373568 386194368 /nfs/dbraw/zinc/19/43/68/386194368.db2.gz FHKDZOFJGWEYMB-LBPRGKRZSA-N 0 3 238.350 2.980 20 10 BFCDHN CSC(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226612349 386345393 /nfs/dbraw/zinc/34/53/93/386345393.db2.gz BOFWMBMASKQROT-UHFFFAOYSA-N 0 3 243.347 2.763 20 10 BFCDHN CCSCC[N@H+](C)Cc1ccccc1[O-] ZINC000265973424 386386109 /nfs/dbraw/zinc/38/61/09/386386109.db2.gz AJVGWBLDVCTSCT-UHFFFAOYSA-N 0 3 225.357 2.577 20 10 BFCDHN CCSCC[N@@H+](C)Cc1ccccc1[O-] ZINC000265973424 386386118 /nfs/dbraw/zinc/38/61/18/386386118.db2.gz AJVGWBLDVCTSCT-UHFFFAOYSA-N 0 3 225.357 2.577 20 10 BFCDHN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000290142348 386398951 /nfs/dbraw/zinc/39/89/51/386398951.db2.gz KSQINGXFYMMBHF-KXUCPTDWSA-N 0 3 241.306 2.605 20 10 BFCDHN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000290138883 386399200 /nfs/dbraw/zinc/39/92/00/386399200.db2.gz KLIRFMQZHATSLT-IJLUTSLNSA-N 0 3 237.343 2.775 20 10 BFCDHN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000290191982 386403771 /nfs/dbraw/zinc/40/37/71/386403771.db2.gz OIMCEVOMGOQBEY-GRYCIOLGSA-N 0 3 237.343 2.775 20 10 BFCDHN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000290191986 386404150 /nfs/dbraw/zinc/40/41/50/386404150.db2.gz OIMCEVOMGOQBEY-IJLUTSLNSA-N 0 3 237.343 2.775 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000278381858 386516488 /nfs/dbraw/zinc/51/64/88/386516488.db2.gz CKIJEFQHAIQUKX-DYEKYZERSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000278381866 386517877 /nfs/dbraw/zinc/51/78/77/386517877.db2.gz CKIJEFQHAIQUKX-OBJOEFQTSA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1[O-] ZINC000228553930 386585178 /nfs/dbraw/zinc/58/51/78/386585178.db2.gz FTCUYHXHDGPTNN-GHMZBOCLSA-N 0 3 237.368 2.796 20 10 BFCDHN CC[C@H]([NH2+]CCC[C@@H](C)O)c1ccccc1[O-] ZINC000228033403 386530973 /nfs/dbraw/zinc/53/09/73/386530973.db2.gz GOOIMKXZLABGJS-YPMHNXCESA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccccc1[O-] ZINC000228033391 386531428 /nfs/dbraw/zinc/53/14/28/386531428.db2.gz GOOIMKXZLABGJS-DGCLKSJQSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000279999684 386766099 /nfs/dbraw/zinc/76/60/99/386766099.db2.gz FVPRTGVIFLBGCV-JSGCOSHPSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280154006 386785273 /nfs/dbraw/zinc/78/52/73/386785273.db2.gz QHPISULSNDLYBQ-OCCSQVGLSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@@H]([NH2+]CCC1(O)CCC1)c1ccccc1[O-] ZINC000284355650 387186914 /nfs/dbraw/zinc/18/69/14/387186914.db2.gz MQCZIKTWADAASH-CYBMUJFWSA-N 0 3 249.354 2.738 20 10 BFCDHN CCC[C@@]1([NH2+]Cc2cc(C)ccc2[O-])CCOC1 ZINC000285402499 387266206 /nfs/dbraw/zinc/26/62/06/387266206.db2.gz FFZSPBHVIYBMAF-OAHLLOKOSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000290106144 387511789 /nfs/dbraw/zinc/51/17/89/387511789.db2.gz KRBHSCFCLJKRAV-ZDUSSCGKSA-N 0 3 219.328 2.979 20 10 BFCDHN CSCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297972421 387593888 /nfs/dbraw/zinc/59/38/88/387593888.db2.gz ZXWCGNZFGWOMDZ-LLVKDONJSA-N 0 3 237.368 2.722 20 10 BFCDHN Cc1cc(CN(C)Cc2ccccc2O)ccn1 ZINC000527539095 387608776 /nfs/dbraw/zinc/60/87/76/387608776.db2.gz OACQVKHVZABOIA-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CSC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000163982000 388120052 /nfs/dbraw/zinc/12/00/52/388120052.db2.gz MWRDGMBBLXJMQK-VHSXEESVSA-N 0 3 225.357 2.794 20 10 BFCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000291381564 388375948 /nfs/dbraw/zinc/37/59/48/388375948.db2.gz ZKACYCGNTQBBAL-NHYWBVRUSA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295853773 388414577 /nfs/dbraw/zinc/41/45/77/388414577.db2.gz GGHYAUGODOSSSN-KOLCDFICSA-N 0 3 205.301 2.768 20 10 BFCDHN CCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296066628 388417381 /nfs/dbraw/zinc/41/73/81/388417381.db2.gz RXEQTMZXOWTBLP-NSHDSACASA-N 0 3 205.301 2.769 20 10 BFCDHN CCC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297546994 388430358 /nfs/dbraw/zinc/43/03/58/388430358.db2.gz FKTAJCQXHFJSII-IUODEOHRSA-N 0 3 249.354 2.520 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccccc1[O-] ZINC000290190538 388949490 /nfs/dbraw/zinc/94/94/90/388949490.db2.gz OGBKGZBGASYQBA-WCQYABFASA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1 ZINC000271266096 389020270 /nfs/dbraw/zinc/02/02/70/389020270.db2.gz BQKJKTHZLOYLOT-CHWSQXEVSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051996476 397737467 /nfs/dbraw/zinc/73/74/67/397737467.db2.gz FSAIBAAZVDIQDU-ZLDLUXBVSA-N 0 3 249.354 2.655 20 10 BFCDHN Cc1ccncc1CN(C)Cc1ccccc1O ZINC000269612415 397957992 /nfs/dbraw/zinc/95/79/92/397957992.db2.gz FPELKRURJVWRIW-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000292875219 398110161 /nfs/dbraw/zinc/11/01/61/398110161.db2.gz WXVQGFPLBWPSLH-NSHDSACASA-N 0 3 209.264 2.516 20 10 BFCDHN CC[C@H]1CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000292875219 398110165 /nfs/dbraw/zinc/11/01/65/398110165.db2.gz WXVQGFPLBWPSLH-NSHDSACASA-N 0 3 209.264 2.516 20 10 BFCDHN CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019436025 170153437 /nfs/dbraw/zinc/15/34/37/170153437.db2.gz XTCWDZATTRZSMS-VHSXEESVSA-N 0 3 205.301 2.858 20 10 BFCDHN CCOC(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000159292337 170313714 /nfs/dbraw/zinc/31/37/14/170313714.db2.gz YJFPYYJJJXQFHT-NSHDSACASA-N 0 3 237.343 2.858 20 10 BFCDHN CCOC(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295783739 170314040 /nfs/dbraw/zinc/31/40/40/170314040.db2.gz ACIRTPNTSNULRF-GFCCVEGCSA-N 0 3 249.354 2.784 20 10 BFCDHN CCOCC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000288502665 170351657 /nfs/dbraw/zinc/35/16/57/170351657.db2.gz IFHPTXNIZKYZFP-UHFFFAOYSA-N 0 3 237.343 2.545 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)CCOC)c1ccccc1[O-] ZINC000081709222 170911746 /nfs/dbraw/zinc/91/17/46/170911746.db2.gz PBKRXNNMMPGQSP-DGCLKSJQSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000159196774 171011381 /nfs/dbraw/zinc/01/13/81/171011381.db2.gz ALNYLCSCLLEWAV-LLVKDONJSA-N 0 3 205.301 2.624 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000159196774 171011383 /nfs/dbraw/zinc/01/13/83/171011383.db2.gz ALNYLCSCLLEWAV-LLVKDONJSA-N 0 3 205.301 2.624 20 10 BFCDHN CC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019882433 171346593 /nfs/dbraw/zinc/34/65/93/171346593.db2.gz GKLQYRWDHCHDHX-UWVGGRQHSA-N 0 3 223.316 2.850 20 10 BFCDHN CC[C@H](C)[C@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000042553104 171389587 /nfs/dbraw/zinc/38/95/87/171389587.db2.gz CPYZGNZPJUHZOX-QWRGUYRKSA-N 0 3 237.343 2.925 20 10 BFCDHN COCCC1(C[NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000151217800 174156617 /nfs/dbraw/zinc/15/66/17/174156617.db2.gz GGBGKACIQWGRNT-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CCC(C)(F)F)c1 ZINC000294174935 175159016 /nfs/dbraw/zinc/15/90/16/175159016.db2.gz JQGCFLHKAINMEO-UHFFFAOYSA-N 0 3 245.269 2.536 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000071205857 175159031 /nfs/dbraw/zinc/15/90/31/175159031.db2.gz YWCSBSBMMJXXRB-GXFFZTMASA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000035733191 175159758 /nfs/dbraw/zinc/15/97/58/175159758.db2.gz JNQCFBLXGJVSPW-UWVGGRQHSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc(C[N@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000158083206 175254929 /nfs/dbraw/zinc/25/49/29/175254929.db2.gz SPKVKKMSZYURBP-SNVBAGLBSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000158083206 175254930 /nfs/dbraw/zinc/25/49/30/175254930.db2.gz SPKVKKMSZYURBP-SNVBAGLBSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[NH2+]C(C2CC2)C2CC2)c1[O-] ZINC000020130942 175263237 /nfs/dbraw/zinc/26/32/37/175263237.db2.gz WDOHBCWRVSOAAT-UHFFFAOYSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000037680126 175265235 /nfs/dbraw/zinc/26/52/35/175265235.db2.gz IDRPMSSRCXBUEX-UHFFFAOYSA-N 0 3 243.306 2.691 20 10 BFCDHN COc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1[O-] ZINC000045628764 175265295 /nfs/dbraw/zinc/26/52/95/175265295.db2.gz WIZRDYQCQPTBDV-LBPRGKRZSA-N 0 3 247.338 2.847 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000296371799 175927110 /nfs/dbraw/zinc/92/71/10/175927110.db2.gz JFTNRJGTWRUPLK-MFKMUULPSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H](c1ccccn1)N(C)Cc1ccccc1O ZINC000177154013 176026326 /nfs/dbraw/zinc/02/63/26/176026326.db2.gz PVOFNYXLHSQVTD-LBPRGKRZSA-N 0 3 242.322 2.980 20 10 BFCDHN C[C@@H]1CSCC[N@H+](Cc2ccccc2[O-])C1 ZINC000190840794 176350066 /nfs/dbraw/zinc/35/00/66/176350066.db2.gz DIHSMERNMRRBBA-NSHDSACASA-N 0 3 237.368 2.577 20 10 BFCDHN C[C@@H]1CSCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000190840794 176350068 /nfs/dbraw/zinc/35/00/68/176350068.db2.gz DIHSMERNMRRBBA-NSHDSACASA-N 0 3 237.368 2.577 20 10 BFCDHN C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295847630 176397668 /nfs/dbraw/zinc/39/76/68/176397668.db2.gz FXESSNUJYCZWLC-YUSALJHKSA-N 0 3 217.312 2.625 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1[O-] ZINC000045116136 176918949 /nfs/dbraw/zinc/91/89/49/176918949.db2.gz AJBGOEKGELMKLZ-CABZTGNLSA-N 0 3 205.301 2.841 20 10 BFCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CCS1 ZINC000190685406 177165511 /nfs/dbraw/zinc/16/55/11/177165511.db2.gz WTUMTWITECRPNS-NSHDSACASA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CCS1 ZINC000190685406 177165514 /nfs/dbraw/zinc/16/55/14/177165514.db2.gz WTUMTWITECRPNS-NSHDSACASA-N 0 3 237.368 2.720 20 10 BFCDHN Cc1cccc(CNC/C=C\Cl)c1O ZINC000898433639 584135442 /nfs/dbraw/zinc/13/54/42/584135442.db2.gz PQELUXVHJJRFSC-UTCJRWHESA-N 0 3 211.692 2.543 20 10 BFCDHN Cc1cccc(C[NH2+]C/C=C\Cl)c1[O-] ZINC000898433639 584135443 /nfs/dbraw/zinc/13/54/43/584135443.db2.gz PQELUXVHJJRFSC-UTCJRWHESA-N 0 3 211.692 2.543 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000527979540 262896910 /nfs/dbraw/zinc/89/69/10/262896910.db2.gz NHPCHWHECWEMID-DFBGVHRSSA-N 0 3 249.354 2.919 20 10 BFCDHN CC/C=C/C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296624276 535245714 /nfs/dbraw/zinc/24/57/14/535245714.db2.gz XBDKNZHLRRIHCL-PCAWENJQSA-N 0 3 217.312 2.935 20 10 BFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)CCC2 ZINC000853576103 588749409 /nfs/dbraw/zinc/74/94/09/588749409.db2.gz BUZZHPPMLRXZDL-ZIAGYGMSSA-N 0 3 243.350 2.723 20 10 BFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3C[C@@H]3C1)CCC2 ZINC000853576103 588749410 /nfs/dbraw/zinc/74/94/10/588749410.db2.gz BUZZHPPMLRXZDL-ZIAGYGMSSA-N 0 3 243.350 2.723 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000877459377 583314189 /nfs/dbraw/zinc/31/41/89/583314189.db2.gz IYXWSTRCIFBQFW-MFKMUULPSA-N 0 3 219.328 2.979 20 10 BFCDHN CC[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894145673 583318201 /nfs/dbraw/zinc/31/82/01/583318201.db2.gz GHCWAZADBNULJT-SNVBAGLBSA-N 0 3 223.316 2.597 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877703729 583343673 /nfs/dbraw/zinc/34/36/73/583343673.db2.gz RKKRVPQTZBHZKF-RKDXNWHRSA-N 0 3 249.207 2.572 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C(C)(C)C2CC2)c1[O-] ZINC000894269415 583402417 /nfs/dbraw/zinc/40/24/17/583402417.db2.gz SJCGDNRIMNJXHH-UHFFFAOYSA-N 0 3 249.354 2.987 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H]1C ZINC000894860095 583533951 /nfs/dbraw/zinc/53/39/51/583533951.db2.gz AMIPFWJMYIWZOI-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000894860095 583533953 /nfs/dbraw/zinc/53/39/53/583533953.db2.gz AMIPFWJMYIWZOI-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C2(C)CC=CC2)c1[O-] ZINC000895184325 583618629 /nfs/dbraw/zinc/61/86/29/583618629.db2.gz UEZSQSMHKXGFKD-UHFFFAOYSA-N 0 3 247.338 2.908 20 10 BFCDHN COc1cc(C)cc(CN2CC(C)(C)C2)c1O ZINC000895456503 583677263 /nfs/dbraw/zinc/67/72/63/583677263.db2.gz FOIOVOWOHTUICO-UHFFFAOYSA-N 0 3 235.327 2.551 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C=CCC1 ZINC000895527241 583684300 /nfs/dbraw/zinc/68/43/00/583684300.db2.gz KKRIZEVHLQRNPH-GFCCVEGCSA-N 0 3 217.312 2.756 20 10 BFCDHN CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929124 583748489 /nfs/dbraw/zinc/74/84/89/583748489.db2.gz XPPGBKGJVCVWAF-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929124 583748490 /nfs/dbraw/zinc/74/84/90/583748490.db2.gz XPPGBKGJVCVWAF-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000896401102 583799471 /nfs/dbraw/zinc/79/94/71/583799471.db2.gz KRPVRZYDUBDTSO-NRWUCQMLSA-N 0 3 231.339 2.835 20 10 BFCDHN COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000896609323 583817452 /nfs/dbraw/zinc/81/74/52/583817452.db2.gz ZTMDDPOYIBSJJI-NSHDSACASA-N 0 3 237.343 2.604 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897952333 584063550 /nfs/dbraw/zinc/06/35/50/584063550.db2.gz GGIRIJPVEYXXLU-DMDPSCGWSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1[O-] ZINC000897952705 584063560 /nfs/dbraw/zinc/06/35/60/584063560.db2.gz JGECSEJYSAMJEO-RAIGVLPGSA-N 0 3 247.338 2.679 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897954833 584064899 /nfs/dbraw/zinc/06/48/99/584064899.db2.gz LJKWFNCBYZUMHV-TVYUQYBPSA-N 0 3 235.302 2.810 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000897959215 584066885 /nfs/dbraw/zinc/06/68/85/584066885.db2.gz FKPDZXIRORBCSL-KWCYVHTRSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c([O-])c1 ZINC000897959216 584067101 /nfs/dbraw/zinc/06/71/01/584067101.db2.gz FKPDZXIRORBCSL-MRVWCRGKSA-N 0 3 231.339 2.979 20 10 BFCDHN CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccccc1[O-] ZINC000898197907 584097657 /nfs/dbraw/zinc/09/76/57/584097657.db2.gz KQQAIAVEAUUPGA-UONOGXRCSA-N 0 3 249.354 2.594 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC=CC[C@H]2C)c1 ZINC000898223798 584102266 /nfs/dbraw/zinc/10/22/66/584102266.db2.gz GJPZANVJSAJOQM-BXUZGUMPSA-N 0 3 247.338 2.845 20 10 BFCDHN CSCC(C)(C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000898304745 584108903 /nfs/dbraw/zinc/10/89/03/584108903.db2.gz JWYSPXYLJLRUDK-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN Cc1cccc(CNC/C=C/Cl)c1O ZINC000898433640 584135200 /nfs/dbraw/zinc/13/52/00/584135200.db2.gz PQELUXVHJJRFSC-ZZXKWVIFSA-N 0 3 211.692 2.543 20 10 BFCDHN Cc1cccc(C[NH2+]C/C=C/Cl)c1[O-] ZINC000898433640 584135202 /nfs/dbraw/zinc/13/52/02/584135202.db2.gz PQELUXVHJJRFSC-ZZXKWVIFSA-N 0 3 211.692 2.543 20 10 BFCDHN CN(C)c1ccc(CNC/C=C/Cl)cc1 ZINC000898435820 584135909 /nfs/dbraw/zinc/13/59/09/584135909.db2.gz MZWWXNZHMMTHFH-FPYGCLRLSA-N 0 3 224.735 2.595 20 10 BFCDHN CN(C)c1ccc(CNC/C=C\Cl)cc1 ZINC000898435819 584135982 /nfs/dbraw/zinc/13/59/82/584135982.db2.gz MZWWXNZHMMTHFH-BAQGIRSFSA-N 0 3 224.735 2.595 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCS2)c([O-])c1 ZINC000877083856 584889891 /nfs/dbraw/zinc/88/98/91/584889891.db2.gz GFGWTGARLKLOOH-LBPRGKRZSA-N 0 3 237.368 2.686 20 10 BFCDHN COCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846156 584929482 /nfs/dbraw/zinc/92/94/82/584929482.db2.gz WBPPNUOSZGPWRH-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN COCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846156 584929483 /nfs/dbraw/zinc/92/94/83/584929483.db2.gz WBPPNUOSZGPWRH-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000839147111 585092322 /nfs/dbraw/zinc/09/23/22/585092322.db2.gz DPDPFNVLSLOQLC-OKILXGFUSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCOC2)cc1C ZINC000742370564 585125213 /nfs/dbraw/zinc/12/52/13/585125213.db2.gz BIXFKNFWGGFBKM-OAHLLOKOSA-N 0 3 249.354 2.525 20 10 BFCDHN CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000746755683 585172554 /nfs/dbraw/zinc/17/25/54/585172554.db2.gz RHPUTIZTJQGOHF-UONOGXRCSA-N 0 3 249.354 2.748 20 10 BFCDHN COCC1([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000756849751 585324318 /nfs/dbraw/zinc/32/43/18/585324318.db2.gz DWEOIYPHTYYWTN-LLVKDONJSA-N 0 3 235.327 2.530 20 10 BFCDHN CCC(C)(C)C[NH2+]Cc1c([O-])cccc1OC ZINC000758480688 585356308 /nfs/dbraw/zinc/35/63/08/585356308.db2.gz MIADOHOTQUXWIO-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1[O-] ZINC000765625381 585491665 /nfs/dbraw/zinc/49/16/65/585491665.db2.gz IHSUBRGZXGDTAA-CYBMUJFWSA-N 0 3 237.343 2.543 20 10 BFCDHN CCOc1ccc(C[NH+](CC)CC)c([O-])c1 ZINC000768134760 585532439 /nfs/dbraw/zinc/53/24/39/585532439.db2.gz USFSGKVUEXFMRN-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN COc1cc(C[N@@H+]2CC[C@H](C)C2)c([O-])cc1C ZINC000768443296 585538442 /nfs/dbraw/zinc/53/84/42/585538442.db2.gz DVAVSHLWCNZMJN-JTQLQIEISA-N 0 3 235.327 2.551 20 10 BFCDHN COc1cc(C[N@H+]2CC[C@H](C)C2)c([O-])cc1C ZINC000768443296 585538443 /nfs/dbraw/zinc/53/84/43/585538443.db2.gz DVAVSHLWCNZMJN-JTQLQIEISA-N 0 3 235.327 2.551 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C)c([O-])c1 ZINC000769388567 585555349 /nfs/dbraw/zinc/55/53/49/585555349.db2.gz CEHXQVLKJBZFNI-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C)c([O-])c1 ZINC000769388567 585555350 /nfs/dbraw/zinc/55/53/50/585555350.db2.gz CEHXQVLKJBZFNI-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@]2(C)CCCOC2)cc1C ZINC000771892014 585603887 /nfs/dbraw/zinc/60/38/87/585603887.db2.gz KBISSVMLQUKPHO-OAHLLOKOSA-N 0 3 249.354 2.668 20 10 BFCDHN CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccccc1[O-] ZINC000775523823 585678897 /nfs/dbraw/zinc/67/88/97/585678897.db2.gz NYBSXFSOFCBRDT-GXTWGEPZSA-N 0 3 249.354 2.594 20 10 BFCDHN COCC1(N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000777237767 585709728 /nfs/dbraw/zinc/70/97/28/585709728.db2.gz LVYVLMCOZSIKSM-GFCCVEGCSA-N 0 3 248.370 2.582 20 10 BFCDHN C[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999213 585743682 /nfs/dbraw/zinc/74/36/82/585743682.db2.gz AWNHICMLUZOKQE-STQMWFEESA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999213 585743683 /nfs/dbraw/zinc/74/36/83/585743683.db2.gz AWNHICMLUZOKQE-STQMWFEESA-N 0 3 249.354 2.639 20 10 BFCDHN Cc1ccc(O)c(CN2CC[C@H](C)[C@H](F)C2)c1 ZINC000779148104 585745788 /nfs/dbraw/zinc/74/57/88/585745788.db2.gz GHAJSDFXIGVVSA-WCQYABFASA-N 0 3 237.318 2.881 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000780575143 585781681 /nfs/dbraw/zinc/78/16/81/585781681.db2.gz AQCLCBGGRMJGGQ-GHMZBOCLSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000780575144 585781701 /nfs/dbraw/zinc/78/17/01/585781701.db2.gz AQCLCBGGRMJGGQ-MNOVXSKESA-N 0 3 235.327 2.679 20 10 BFCDHN CC[C@@H]([NH2+]C1(COC)CC1)c1ccc(C)cc1[O-] ZINC000794811547 586049386 /nfs/dbraw/zinc/04/93/86/586049386.db2.gz FWPBFJJZWDMTGT-CYBMUJFWSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000794811273 586049409 /nfs/dbraw/zinc/04/94/09/586049409.db2.gz WLOFUUWCXAUCSE-DGCLKSJQSA-N 0 3 237.343 2.512 20 10 BFCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C)c([O-])c1 ZINC000796525240 586105788 /nfs/dbraw/zinc/10/57/88/586105788.db2.gz CJWLLDZXSHDSSG-ZWNOBZJWSA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000796526620 586106153 /nfs/dbraw/zinc/10/61/53/586106153.db2.gz ORSGJORHUIZWTP-MFKMUULPSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000796815185 586113312 /nfs/dbraw/zinc/11/33/12/586113312.db2.gz CCKKWKFLWNARLM-ZIAGYGMSSA-N 0 3 249.354 2.925 20 10 BFCDHN COc1cccc(C[N@H+]2CC(C)=C[C@H](C)C2)c1[O-] ZINC000797604876 586129407 /nfs/dbraw/zinc/12/94/07/586129407.db2.gz JVZKTUMFYUEOGO-NSHDSACASA-N 0 3 247.338 2.799 20 10 BFCDHN COc1cccc(C[N@@H+]2CC(C)=C[C@H](C)C2)c1[O-] ZINC000797604876 586129408 /nfs/dbraw/zinc/12/94/08/586129408.db2.gz JVZKTUMFYUEOGO-NSHDSACASA-N 0 3 247.338 2.799 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c([O-])c1 ZINC000797904884 586133726 /nfs/dbraw/zinc/13/37/26/586133726.db2.gz DHPRDMFBLYOTFD-KGLIPLIRSA-N 0 3 247.338 2.679 20 10 BFCDHN C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000799122261 586159423 /nfs/dbraw/zinc/15/94/23/586159423.db2.gz YWDZPADAHCQPFG-GFCCVEGCSA-N 0 3 249.354 2.518 20 10 BFCDHN C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000799122261 586159424 /nfs/dbraw/zinc/15/94/24/586159424.db2.gz YWDZPADAHCQPFG-GFCCVEGCSA-N 0 3 249.354 2.518 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000800890169 586236167 /nfs/dbraw/zinc/23/61/67/586236167.db2.gz IINAOVOPNVLZDG-YUTCNCBUSA-N 0 3 231.339 2.979 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)c([O-])c1 ZINC000809658412 586511080 /nfs/dbraw/zinc/51/10/80/586511080.db2.gz NAKSFDZBRYKOSW-KGLIPLIRSA-N 0 3 249.354 2.925 20 10 BFCDHN CCOC1CC([N@H+](C)Cc2cc(C)ccc2[O-])C1 ZINC000809773476 586519226 /nfs/dbraw/zinc/51/92/26/586519226.db2.gz DIHRIVPRFBCKPV-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOC1CC([N@@H+](C)Cc2cc(C)ccc2[O-])C1 ZINC000809773476 586519227 /nfs/dbraw/zinc/51/92/27/586519227.db2.gz DIHRIVPRFBCKPV-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000816647431 586748827 /nfs/dbraw/zinc/74/88/27/586748827.db2.gz SBKUFLKQAFWGQH-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000816647431 586748830 /nfs/dbraw/zinc/74/88/30/586748830.db2.gz SBKUFLKQAFWGQH-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1[O-] ZINC000816647538 586749849 /nfs/dbraw/zinc/74/98/49/586749849.db2.gz UGGKGUMICMJWJH-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H]2C)c1[O-] ZINC000816647538 586749851 /nfs/dbraw/zinc/74/98/51/586749851.db2.gz UGGKGUMICMJWJH-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(CN2C[C@@H](C)[C@H]2C)c1O ZINC000816647538 586749854 /nfs/dbraw/zinc/74/98/54/586749854.db2.gz UGGKGUMICMJWJH-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000816649054 586751909 /nfs/dbraw/zinc/75/19/09/586751909.db2.gz SOQLNWKCIMNWKX-GHMZBOCLSA-N 0 3 236.334 2.732 20 10 BFCDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000816649626 586752245 /nfs/dbraw/zinc/75/22/45/586752245.db2.gz FMVLIPWAODQNNQ-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000816649626 586752246 /nfs/dbraw/zinc/75/22/46/586752246.db2.gz FMVLIPWAODQNNQ-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccccc1[O-] ZINC000817585508 586812618 /nfs/dbraw/zinc/81/26/18/586812618.db2.gz FOGOZCITCBPSMQ-GFCCVEGCSA-N 0 3 249.354 2.738 20 10 BFCDHN C[C@@H](NCCc1ccc(N)cc1)c1ccccn1 ZINC000817956094 586849900 /nfs/dbraw/zinc/84/99/00/586849900.db2.gz QOQDTACRYQFRGZ-GFCCVEGCSA-N 0 3 241.338 2.557 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC23CC3)cc1C ZINC000818229820 586880710 /nfs/dbraw/zinc/88/07/10/586880710.db2.gz DJTHRHURNCRFCY-CYBMUJFWSA-N 0 3 217.312 2.651 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1[O-] ZINC000818230150 586880997 /nfs/dbraw/zinc/88/09/97/586880997.db2.gz NDXGTAJPGSNENP-QWHCGFSZSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC23CC3)c1[O-] ZINC000822497369 587171983 /nfs/dbraw/zinc/17/19/83/587171983.db2.gz AKKIBVALTHYGDZ-NSHDSACASA-N 0 3 237.730 2.996 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]2C2CC2)c([O-])c1 ZINC000824650815 587280854 /nfs/dbraw/zinc/28/08/54/587280854.db2.gz RCGCQWCRARMYIB-AWEZNQCLSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@H]2C2CC2)c([O-])c1 ZINC000824650815 587280856 /nfs/dbraw/zinc/28/08/56/587280856.db2.gz RCGCQWCRARMYIB-AWEZNQCLSA-N 0 3 247.338 2.775 20 10 BFCDHN CC/C=C/CNCc1ccc(N(C)C)c(F)c1 ZINC000824702091 587283171 /nfs/dbraw/zinc/28/31/71/587283171.db2.gz INQTWXSKOXRAQD-AATRIKPKSA-N 0 3 236.334 2.948 20 10 BFCDHN CC/C=C/C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000824702593 587283677 /nfs/dbraw/zinc/28/36/77/587283677.db2.gz OLNKJBJPSVQKJF-AATRIKPKSA-N 0 3 235.327 2.847 20 10 BFCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000824783046 587287311 /nfs/dbraw/zinc/28/73/11/587287311.db2.gz CCZFGKCNBHLBDN-MNOVXSKESA-N 0 3 235.327 2.537 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000826538364 587354529 /nfs/dbraw/zinc/35/45/29/587354529.db2.gz BJVCZSWSNFPNED-FZMZJTMJSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000826538364 587354530 /nfs/dbraw/zinc/35/45/30/587354530.db2.gz BJVCZSWSNFPNED-FZMZJTMJSA-N 0 3 247.338 2.775 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC1(C)C ZINC000827942057 587411224 /nfs/dbraw/zinc/41/12/24/587411224.db2.gz MDBURXAGNSDHQJ-LBPRGKRZSA-N 0 3 219.328 2.870 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC1(C)C ZINC000827942057 587411225 /nfs/dbraw/zinc/41/12/25/587411225.db2.gz MDBURXAGNSDHQJ-LBPRGKRZSA-N 0 3 219.328 2.870 20 10 BFCDHN CC1(C)C[C@H](C[NH2+]Cc2ccccc2[O-])CCO1 ZINC000835061233 587779970 /nfs/dbraw/zinc/77/99/70/587779970.db2.gz XZNPWQKHHVOUMF-GFCCVEGCSA-N 0 3 249.354 2.687 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000840820328 587923128 /nfs/dbraw/zinc/92/31/28/587923128.db2.gz HZXPBELTXYELIK-LNSITVRQSA-N 0 3 249.354 2.919 20 10 BFCDHN F[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000840962690 587932664 /nfs/dbraw/zinc/93/26/64/587932664.db2.gz MRLRRVCIGXIJLH-ZIAGYGMSSA-N 0 3 249.329 2.992 20 10 BFCDHN COCC1(CC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000842894745 588071048 /nfs/dbraw/zinc/07/10/48/588071048.db2.gz RCAAGSWHMDWNQJ-GFCCVEGCSA-N 0 3 249.354 2.860 20 10 BFCDHN COc1ccc(O)c([C@H](C)NCC2(F)CC2)c1 ZINC000845972525 588252290 /nfs/dbraw/zinc/25/22/90/588252290.db2.gz RGOQLPZROQDPGY-VIFPVBQESA-N 0 3 239.290 2.554 20 10 BFCDHN COc1cccc([C@H](C)NCc2ccoc2)c1O ZINC000846148060 588258691 /nfs/dbraw/zinc/25/86/91/588258691.db2.gz ZFTBIVMAIGTIHJ-JTQLQIEISA-N 0 3 247.294 2.845 20 10 BFCDHN CCc1cccc(C[N@H+]2CC=CCC2)c1[O-] ZINC000848900412 588417756 /nfs/dbraw/zinc/41/77/56/588417756.db2.gz GSKAJMUJEIDLRN-UHFFFAOYSA-N 0 3 217.312 2.717 20 10 BFCDHN CCc1cccc(C[N@@H+]2CC=CCC2)c1[O-] ZINC000848900412 588417758 /nfs/dbraw/zinc/41/77/58/588417758.db2.gz GSKAJMUJEIDLRN-UHFFFAOYSA-N 0 3 217.312 2.717 20 10 BFCDHN CCc1cccc(C[N@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000848908349 588419520 /nfs/dbraw/zinc/41/95/20/588419520.db2.gz RMRUQIXRCZTJDZ-PHIMTYICSA-N 0 3 219.328 2.937 20 10 BFCDHN CCc1cccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000848908349 588419522 /nfs/dbraw/zinc/41/95/22/588419522.db2.gz RMRUQIXRCZTJDZ-PHIMTYICSA-N 0 3 219.328 2.937 20 10 BFCDHN CCc1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000848908350 588419614 /nfs/dbraw/zinc/41/96/14/588419614.db2.gz RMRUQIXRCZTJDZ-QWRGUYRKSA-N 0 3 219.328 2.937 20 10 BFCDHN CCOc1ccc(C[NH2+]CC2=CCCC2)c([O-])c1 ZINC000850395997 588543672 /nfs/dbraw/zinc/54/36/72/588543672.db2.gz NHZQWOSTVGRJAJ-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000850514685 588555765 /nfs/dbraw/zinc/55/57/65/588555765.db2.gz PGIOQCUDGJTTMR-JHJVBQTASA-N 0 3 247.338 2.537 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000850515563 588556081 /nfs/dbraw/zinc/55/60/81/588556081.db2.gz YQWNIVSMLSSJIF-JHJVBQTASA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@H]1CC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000862478668 589216428 /nfs/dbraw/zinc/21/64/28/589216428.db2.gz LVBRFPXERZAUNW-WCQYABFASA-N 0 3 219.328 2.979 20 10 BFCDHN CCOc1ccc(O)c(CNCC(C)(C)F)c1 ZINC000865654211 589454614 /nfs/dbraw/zinc/45/46/14/589454614.db2.gz LUGGJNSRBYZLBM-UHFFFAOYSA-N 0 3 241.306 2.629 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccccc1[O-] ZINC000866613677 589504909 /nfs/dbraw/zinc/50/49/09/589504909.db2.gz UYEUJPXVGGSBIR-MNOVXSKESA-N 0 3 245.326 2.538 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccnn1C ZINC000866613678 589505069 /nfs/dbraw/zinc/50/50/69/589505069.db2.gz UYEUJPXVGGSBIR-QWRGUYRKSA-N 0 3 245.326 2.538 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C)cc1[O-] ZINC000872125498 589875873 /nfs/dbraw/zinc/87/58/73/589875873.db2.gz BUBMCDVQGUPIOZ-OBJOEFQTSA-N 0 3 249.354 2.512 20 10 BFCDHN C[C@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000124324706 589976480 /nfs/dbraw/zinc/97/64/80/589976480.db2.gz YIBHKMRTCMNAKC-NSHDSACASA-N 0 3 236.334 2.876 20 10 BFCDHN CCC[N@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876511962 590206151 /nfs/dbraw/zinc/20/61/51/590206151.db2.gz XMVLNXGWIVYSLT-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCC[N@@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876511962 590206152 /nfs/dbraw/zinc/20/61/52/590206152.db2.gz XMVLNXGWIVYSLT-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN Cc1ccc(C[NH+]2C3CCC2CC3)c([O-])c1 ZINC000876559897 590215686 /nfs/dbraw/zinc/21/56/86/590215686.db2.gz BOCVCWXZHLSZMG-UHFFFAOYSA-N 0 3 217.312 2.827 20 10 BFCDHN Cc1ccc(C[N@@H+](C)CC(C)C)c([O-])c1 ZINC000876564866 590216332 /nfs/dbraw/zinc/21/63/32/590216332.db2.gz WLGAQZCCYLUSFY-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN Cc1ccc(C[N@H+](C)CC(C)C)c([O-])c1 ZINC000876564866 590216333 /nfs/dbraw/zinc/21/63/33/590216333.db2.gz WLGAQZCCYLUSFY-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC000876575847 590217485 /nfs/dbraw/zinc/21/74/85/590217485.db2.gz WIFJHSVLOZWNIZ-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC000876575847 590217486 /nfs/dbraw/zinc/21/74/86/590217486.db2.gz WIFJHSVLOZWNIZ-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CCC[C@@H](C[N@H+](C)Cc1ccccc1[O-])OC ZINC000876615864 590222692 /nfs/dbraw/zinc/22/26/92/590222692.db2.gz MXUTUSBLXXCAIK-ZDUSSCGKSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[C@@H](C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000876615864 590222693 /nfs/dbraw/zinc/22/26/93/590222693.db2.gz MXUTUSBLXXCAIK-ZDUSSCGKSA-N 0 3 237.343 2.639 20 10 BFCDHN Cc1ccc(C[N@H+](C)CC2CC2)c([O-])c1 ZINC000876622578 590223049 /nfs/dbraw/zinc/22/30/49/590223049.db2.gz YWMRKOCYNIKHBE-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc(C[N@@H+](C)CC2CC2)c([O-])c1 ZINC000876622578 590223050 /nfs/dbraw/zinc/22/30/50/590223050.db2.gz YWMRKOCYNIKHBE-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN CCOCC[N@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876645123 590225547 /nfs/dbraw/zinc/22/55/47/590225547.db2.gz LVDLFNYCIWPWHX-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CCOCC[N@@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876645123 590225548 /nfs/dbraw/zinc/22/55/48/590225548.db2.gz LVDLFNYCIWPWHX-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN Cc1ccc(C[N@H+]2CCSC[C@@H]2C)c([O-])c1 ZINC000876737964 590235455 /nfs/dbraw/zinc/23/54/55/590235455.db2.gz XHNCECPKRJMEOS-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCSC[C@@H]2C)c([O-])c1 ZINC000876737964 590235457 /nfs/dbraw/zinc/23/54/57/590235457.db2.gz XHNCECPKRJMEOS-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN CCOC[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876789227 590241601 /nfs/dbraw/zinc/24/16/01/590241601.db2.gz YDPVGQVSUQZZNK-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876789227 590241602 /nfs/dbraw/zinc/24/16/02/590241602.db2.gz YDPVGQVSUQZZNK-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CCC[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000876892695 590254992 /nfs/dbraw/zinc/25/49/92/590254992.db2.gz FHNYYTSLGLQYNV-LLVKDONJSA-N 0 3 207.317 2.979 20 10 BFCDHN Cc1ccc(C[NH2+]CCc2ccco2)c([O-])c1 ZINC000876894159 590255257 /nfs/dbraw/zinc/25/52/57/590255257.db2.gz PRCAUEFDRZPOIQ-UHFFFAOYSA-N 0 3 231.295 2.626 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)C1CC1 ZINC000876967074 590262640 /nfs/dbraw/zinc/26/26/40/590262640.db2.gz BJXMXADSAROHTK-LLVKDONJSA-N 0 3 219.328 2.836 20 10 BFCDHN Cc1ccc(C[NH2+]C2CC(C)C2)c([O-])c1 ZINC000877080305 590279969 /nfs/dbraw/zinc/27/99/69/590279969.db2.gz PQGSGIOIFJFMBW-UHFFFAOYSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C1CC=CC1 ZINC000877093267 590281196 /nfs/dbraw/zinc/28/11/96/590281196.db2.gz HEKBGITZCVLWNQ-UHFFFAOYSA-N 0 3 203.285 2.509 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H]1CCCO1 ZINC000877123381 590289385 /nfs/dbraw/zinc/28/93/85/590289385.db2.gz JUHLJWZKSKESMM-HIFRSBDPSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H]1CCCO1 ZINC000877123379 590289771 /nfs/dbraw/zinc/28/97/71/590289771.db2.gz JUHLJWZKSKESMM-DZGCQCFKSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@@H](CSC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877131104 590290389 /nfs/dbraw/zinc/29/03/89/590290389.db2.gz VBCHXRRNLQWISP-LBPRGKRZSA-N 0 3 239.384 2.932 20 10 BFCDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877132265 590291145 /nfs/dbraw/zinc/29/11/45/590291145.db2.gz YXSQMQJPKTXWBP-UKRRQHHQSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(CN2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000877166152 590294898 /nfs/dbraw/zinc/29/48/98/590294898.db2.gz XHUXKZOXVZLNBY-HNNXBMFYSA-N 0 3 249.354 2.557 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@@H](C)OC ZINC000877544155 590353375 /nfs/dbraw/zinc/35/33/75/590353375.db2.gz RIOSWTFNBHBLSV-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C[C@@H](C)OC ZINC000877544155 590353378 /nfs/dbraw/zinc/35/33/78/590353378.db2.gz RIOSWTFNBHBLSV-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1ccc(C[NH2+]C2(C(C)C)CC2)c([O-])c1 ZINC000877552067 590355702 /nfs/dbraw/zinc/35/57/02/590355702.db2.gz PMPSGQWIXTXDIP-UHFFFAOYSA-N 0 3 219.328 2.979 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877565848 590360685 /nfs/dbraw/zinc/36/06/85/590360685.db2.gz RZCODHYVKLFCET-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877565848 590360686 /nfs/dbraw/zinc/36/06/86/590360686.db2.gz RZCODHYVKLFCET-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN COC1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877583571 590366541 /nfs/dbraw/zinc/36/65/41/590366541.db2.gz RYXXMBWBTFMBTB-UHFFFAOYSA-N 0 3 249.354 2.748 20 10 BFCDHN COCCC1(C)C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC000877582303 590366990 /nfs/dbraw/zinc/36/69/90/590366990.db2.gz PYVSLJVIYOVCBF-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000877589512 590368459 /nfs/dbraw/zinc/36/84/59/590368459.db2.gz PNJSUSLPYZIEAQ-AGIUHOORSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000877588117 590369207 /nfs/dbraw/zinc/36/92/07/590369207.db2.gz LVWVZCZWDWWARE-QWRGUYRKSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)c([O-])c1 ZINC000877603027 590371785 /nfs/dbraw/zinc/37/17/85/590371785.db2.gz CCZNKKJERFFDEW-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c([O-])c1 ZINC000877603027 590371788 /nfs/dbraw/zinc/37/17/88/590371788.db2.gz CCZNKKJERFFDEW-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCCOC1 ZINC000877612140 590372510 /nfs/dbraw/zinc/37/25/10/590372510.db2.gz DERQSKSQBBUMJF-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCCOC1 ZINC000877612140 590372513 /nfs/dbraw/zinc/37/25/13/590372513.db2.gz DERQSKSQBBUMJF-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]1CN(Cc2ccc(C)cc2O)[C@@H](C)CO1 ZINC000877611162 590372985 /nfs/dbraw/zinc/37/29/85/590372985.db2.gz XJTXUZCUTVFXOQ-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C=CCC1 ZINC000877624291 590377184 /nfs/dbraw/zinc/37/71/84/590377184.db2.gz MHJBFISKGWQLNJ-NSHDSACASA-N 0 3 203.285 2.509 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000877633598 590378983 /nfs/dbraw/zinc/37/89/83/590378983.db2.gz DDOGPPMULHGAKN-YABSGUDNSA-N 0 3 217.312 2.589 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000877635418 590381017 /nfs/dbraw/zinc/38/10/17/590381017.db2.gz QLABXAYCGSYQII-AAEUAGOBSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000877635418 590381020 /nfs/dbraw/zinc/38/10/20/590381020.db2.gz QLABXAYCGSYQII-AAEUAGOBSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1ccc(C[NH2+]C2CC(C)(C)C2)c([O-])c1 ZINC000877639262 590381697 /nfs/dbraw/zinc/38/16/97/590381697.db2.gz FAJPQYSONKJIQB-UHFFFAOYSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C1CC(C)(C)C1 ZINC000877639422 590381982 /nfs/dbraw/zinc/38/19/82/590381982.db2.gz JMLXIKSQICIOSW-UHFFFAOYSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)CC1=CCSC1 ZINC000877641469 590383203 /nfs/dbraw/zinc/38/32/03/590383203.db2.gz VFTXLUKLAACDEK-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1=CCSC1 ZINC000877641469 590383206 /nfs/dbraw/zinc/38/32/06/590383206.db2.gz VFTXLUKLAACDEK-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN Cc1ccc(C[NH+]2CC(CC3CC3)C2)c([O-])c1 ZINC000877646574 590383977 /nfs/dbraw/zinc/38/39/77/590383977.db2.gz KBHIBGZEBHANKS-UHFFFAOYSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)c([O-])c1 ZINC000877645871 590384501 /nfs/dbraw/zinc/38/45/01/590384501.db2.gz ADILXTGGMOQSCG-LLVKDONJSA-N 0 3 241.281 2.836 20 10 BFCDHN C[C@]1(C[N@@H+]2Cc3cccc([O-])c3C2)CCCS1 ZINC000877702946 590395669 /nfs/dbraw/zinc/39/56/69/590395669.db2.gz LGXYSRQWGCPAKQ-CQSZACIVSA-N 0 3 249.379 2.994 20 10 BFCDHN C[C@]1(C[N@H+]2Cc3cccc([O-])c3C2)CCCS1 ZINC000877702946 590395672 /nfs/dbraw/zinc/39/56/72/590395672.db2.gz LGXYSRQWGCPAKQ-CQSZACIVSA-N 0 3 249.379 2.994 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877740731 590409969 /nfs/dbraw/zinc/40/99/69/590409969.db2.gz TTWAKGDPYDLCTA-CHWSQXEVSA-N 0 3 249.379 2.577 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877740731 590409971 /nfs/dbraw/zinc/40/99/71/590409971.db2.gz TTWAKGDPYDLCTA-CHWSQXEVSA-N 0 3 249.379 2.577 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000877755410 590416564 /nfs/dbraw/zinc/41/65/64/590416564.db2.gz AJDHMSXOSJETMR-JHJVBQTASA-N 0 3 249.354 2.858 20 10 BFCDHN CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758186 590418444 /nfs/dbraw/zinc/41/84/44/590418444.db2.gz LWMPQSAOOWCXOZ-RYUDHWBXSA-N 0 3 237.343 2.856 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccccc1[O-] ZINC000879648816 590842274 /nfs/dbraw/zinc/84/22/74/590842274.db2.gz ARPGIPQBGGCPJO-TUAOUCFPSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1CCC1 ZINC000133138237 591768166 /nfs/dbraw/zinc/76/81/66/591768166.db2.gz QXBBFMZMHPTUTP-JTQLQIEISA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1(C)CC1 ZINC000136403608 592117006 /nfs/dbraw/zinc/11/70/06/592117006.db2.gz XDMWTACRQUPTBE-SNVBAGLBSA-N 0 3 205.301 2.670 20 10 BFCDHN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1(C)C ZINC000300417616 592512788 /nfs/dbraw/zinc/51/27/88/592512788.db2.gz JSQZWDXFEKFFIE-DDTOSNHZSA-N 0 3 249.354 2.856 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313039495 634440410 /nfs/dbraw/zinc/44/04/10/634440410.db2.gz QGUUUPZAKDXQOT-OCCSQVGLSA-N 0 3 249.354 2.858 20 10 BFCDHN CC(C)(C)OCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000308717151 631360038 /nfs/dbraw/zinc/36/00/38/631360038.db2.gz BTCOJAVHQKMEHI-LBPRGKRZSA-N 0 3 249.354 2.784 20 10 BFCDHN Cc1ncccc1CN(C)Cc1ccccc1O ZINC000091974631 631715891 /nfs/dbraw/zinc/71/58/91/631715891.db2.gz HQNAZILVCHHZGV-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CC=CC1)CC2 ZINC000309525335 632468075 /nfs/dbraw/zinc/46/80/75/632468075.db2.gz UVLDHBIFQIDLEF-GFCCVEGCSA-N 0 3 215.296 2.688 20 10 BFCDHN CCOc1ccc(CNCc2ccco2)c(O)c1 ZINC000725841497 632765373 /nfs/dbraw/zinc/76/53/73/632765373.db2.gz LAWGRMGFFVLSMB-UHFFFAOYSA-N 0 3 247.294 2.674 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)c([O-])c1 ZINC000311116790 633069220 /nfs/dbraw/zinc/06/92/20/633069220.db2.gz SWUQNGIFHFTRLI-XHDPSFHLSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc(CNCc2ccccc2O)nc1C ZINC000314370550 633793307 /nfs/dbraw/zinc/79/33/07/633793307.db2.gz ZIDBXLFZBOQQTF-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1cc(C)c(O)c(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000163953081 640431493 /nfs/dbraw/zinc/43/14/93/640431493.db2.gz NMBDLMBAEFYBME-STQMWFEESA-N 0 3 249.354 2.618 20 10 BFCDHN Cc1cc(C)c(O)c(CN2CCOC(C)(C)C2)c1 ZINC000164009788 640434040 /nfs/dbraw/zinc/43/40/40/640434040.db2.gz VNDOBWXMOPJVGI-UHFFFAOYSA-N 0 3 249.354 2.620 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1[O-] ZINC000163986585 640434169 /nfs/dbraw/zinc/43/41/69/640434169.db2.gz AMOGWOBMOBGJQZ-WDEREUQCSA-N 0 3 237.368 2.938 20 10 BFCDHN CC[C@H]1COCCN1Cc1cc(C)cc(C)c1O ZINC000164358481 640472561 /nfs/dbraw/zinc/47/25/61/640472561.db2.gz CJMMYGUVSDWHQD-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN CSC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000164613924 640493808 /nfs/dbraw/zinc/49/38/08/640493808.db2.gz BWYFBGWRDFHNCW-RKDXNWHRSA-N 0 3 243.347 2.933 20 10 BFCDHN CC1(C)C[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608015 640777492 /nfs/dbraw/zinc/77/74/92/640777492.db2.gz AJVHSWLMVVNVQB-SNVBAGLBSA-N 0 3 223.291 2.667 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1[O-] ZINC000226863710 640802627 /nfs/dbraw/zinc/80/26/27/640802627.db2.gz FOZBGNCVAOUENY-YNEHKIRRSA-N 0 3 248.370 2.526 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(F)ccc1[O-] ZINC000087111368 640846004 /nfs/dbraw/zinc/84/60/04/640846004.db2.gz SCAXDURHSOMVBS-DTWKUNHWSA-N 0 3 223.291 2.980 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCC[C@H](C)O)c([O-])c1 ZINC000228034819 640856921 /nfs/dbraw/zinc/85/69/21/640856921.db2.gz VTCDVRPPSUXWHN-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1ccccc1[O-] ZINC000228068959 640859044 /nfs/dbraw/zinc/85/90/44/640859044.db2.gz QHXVTPPJUSWDKV-LOWVWBTDSA-N 0 3 237.343 2.592 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c([O-])c1 ZINC000228267415 640867850 /nfs/dbraw/zinc/86/78/50/640867850.db2.gz ASOOBPJROJBMMG-WOPDTQHZSA-N 0 3 237.343 2.511 20 10 BFCDHN Cc1cnccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000229661317 640971974 /nfs/dbraw/zinc/97/19/74/640971974.db2.gz BPZWOYOYUCTTON-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000230657455 641082485 /nfs/dbraw/zinc/08/24/85/641082485.db2.gz YKBXOZBFZYFLFP-VXGBXAGGSA-N 0 3 219.328 2.918 20 10 BFCDHN CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000231691722 641193856 /nfs/dbraw/zinc/19/38/56/641193856.db2.gz VVAXZCYMZFPTGR-SDDRHHMPSA-N 0 3 235.327 2.610 20 10 BFCDHN CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000231691719 641194685 /nfs/dbraw/zinc/19/46/85/641194685.db2.gz VVAXZCYMZFPTGR-QJPTWQEYSA-N 0 3 235.327 2.610 20 10 BFCDHN CC1(C)C[NH+](Cc2ccccc2[O-])CC(C)(C)O1 ZINC000189658925 641816013 /nfs/dbraw/zinc/81/60/13/641816013.db2.gz DPNFVQPPYLKEJA-UHFFFAOYSA-N 0 3 249.354 2.782 20 10 BFCDHN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000191634221 641934315 /nfs/dbraw/zinc/93/43/15/641934315.db2.gz KLIRFMQZHATSLT-TUAOUCFPSA-N 0 3 237.343 2.775 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccccc1[O-] ZINC000191634126 641934323 /nfs/dbraw/zinc/93/43/23/641934323.db2.gz VRPYIVCUWVQGTP-LOWVWBTDSA-N 0 3 237.343 2.856 20 10 BFCDHN C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccccc1[O-] ZINC000179586019 642729829 /nfs/dbraw/zinc/72/98/29/642729829.db2.gz WNTPEQAHUBQCGC-PHIMTYICSA-N 0 3 205.301 2.765 20 10 BFCDHN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1[O-] ZINC000179586019 642729840 /nfs/dbraw/zinc/72/98/40/642729840.db2.gz WNTPEQAHUBQCGC-PHIMTYICSA-N 0 3 205.301 2.765 20 10 BFCDHN CC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179933797 642753130 /nfs/dbraw/zinc/75/31/30/642753130.db2.gz XVFOTHIWNGFTIA-SECBINFHSA-N 0 3 211.280 2.762 20 10 BFCDHN CC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179933797 642753137 /nfs/dbraw/zinc/75/31/37/642753137.db2.gz XVFOTHIWNGFTIA-SECBINFHSA-N 0 3 211.280 2.762 20 10 BFCDHN CN(Cc1ccco1)Cc1ccccc1O ZINC000070975723 643088394 /nfs/dbraw/zinc/08/83/94/643088394.db2.gz UUMQBDKKZPDEKO-UHFFFAOYSA-N 0 3 217.268 2.617 20 10 BFCDHN CSCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000068997299 643436301 /nfs/dbraw/zinc/43/63/01/643436301.db2.gz UOGZZSFKSOCDLW-SNVBAGLBSA-N 0 3 225.357 2.796 20 10 BFCDHN Cc1ccc(C[NH2+]CCCOC(C)C)c([O-])c1 ZINC000083365133 643442190 /nfs/dbraw/zinc/44/21/90/643442190.db2.gz OLNJYTGOFXSIOH-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CC[C@@H]([NH2+]CC1(CO)CCC1)c1ccccc1[O-] ZINC000186397358 643691776 /nfs/dbraw/zinc/69/17/76/643691776.db2.gz AKZPJYQXGVYWSR-CYBMUJFWSA-N 0 3 249.354 2.596 20 10 BFCDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000922509504 644007936 /nfs/dbraw/zinc/00/79/36/644007936.db2.gz AMBAPESPRKRICW-FOUMNBMASA-N 0 3 217.312 2.526 20 10 BFCDHN COC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(C)C ZINC000086682469 644162696 /nfs/dbraw/zinc/16/26/96/644162696.db2.gz AZUSQQPJWSJVSE-DGCLKSJQSA-N 0 3 237.343 2.714 20 10 BFCDHN CC(C)[C@@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000081044657 644302992 /nfs/dbraw/zinc/30/29/92/644302992.db2.gz FTCQKNNYLMUGNI-NSHDSACASA-N 0 3 207.317 2.774 20 10 BFCDHN CC[C@H]1CN(Cc2cc(C)ccc2O)C[C@H](C)O1 ZINC000092487503 644660070 /nfs/dbraw/zinc/66/00/70/644660070.db2.gz DLPMWKPUQPLWOE-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CCC[C@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000927021206 645520777 /nfs/dbraw/zinc/52/07/77/645520777.db2.gz MIEVZDFVTVUKHJ-QWHCGFSZSA-N 0 3 249.354 2.520 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCS[C@H]1C ZINC000877608686 645801824 /nfs/dbraw/zinc/80/18/24/645801824.db2.gz UVHZHPQLRBIZOC-JQWIXIFHSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[NH2+]CCC(C)(C)F)c([O-])c1 ZINC000877628780 645804035 /nfs/dbraw/zinc/80/40/35/645804035.db2.gz JYVWJGGYKBWHMD-UHFFFAOYSA-N 0 3 225.307 2.928 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)c([O-])c1 ZINC000877628835 645804689 /nfs/dbraw/zinc/80/46/89/645804689.db2.gz NGIOYOMDBZZKBV-CYBMUJFWSA-N 0 3 247.338 2.502 20 10 BFCDHN CC1(C)C[C@]1(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000701969541 712034060 /nfs/dbraw/zinc/03/40/60/712034060.db2.gz SJFCJMXSZAYUTN-ZDUSSCGKSA-N 0 3 223.291 2.810 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1[O-] ZINC000715317732 712515993 /nfs/dbraw/zinc/51/59/93/712515993.db2.gz BDSIWDDEINWUIU-DGCLKSJQSA-N 0 3 217.312 2.985 20 10 BFCDHN CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000716798842 712574607 /nfs/dbraw/zinc/57/46/07/712574607.db2.gz KDDSYPZRMIOAEQ-RYUDHWBXSA-N 0 3 237.343 2.594 20 10 BFCDHN C/C=C\C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000384897716 712704296 /nfs/dbraw/zinc/70/42/96/712704296.db2.gz MUGOXIKBIBZNGL-WYGGZMRJSA-N 0 3 205.301 2.927 20 10 BFCDHN CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000721207949 712898728 /nfs/dbraw/zinc/89/87/28/712898728.db2.gz PHXPXLHALUDQNA-ZIAGYGMSSA-N 0 3 249.354 2.830 20 10 BFCDHN CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000381537073 710652746 /nfs/dbraw/zinc/65/27/46/710652746.db2.gz GAUZPYNXRMVGME-LLVKDONJSA-N 0 3 217.312 2.769 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@@H](C)O1 ZINC000384672644 710995569 /nfs/dbraw/zinc/99/55/69/710995569.db2.gz YHAQSMQLAXCEAF-WFFHOREQSA-N 0 3 247.338 2.535 20 10 BFCDHN CC(C)[C@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC000393448870 711159018 /nfs/dbraw/zinc/15/90/18/711159018.db2.gz VFKRBPKIKIOJFQ-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN CC(C)[C@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC000393448870 711159022 /nfs/dbraw/zinc/15/90/22/711159022.db2.gz VFKRBPKIKIOJFQ-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccccc1[O-] ZINC000393810128 711175856 /nfs/dbraw/zinc/17/58/56/711175856.db2.gz SCRQHDPOMOMOML-HOSYDEDBSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccccc1[O-] ZINC000393810135 711176036 /nfs/dbraw/zinc/17/60/36/711176036.db2.gz SCRQHDPOMOMOML-UMNHJUIQSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1[O-] ZINC000396553457 711353099 /nfs/dbraw/zinc/35/30/99/711353099.db2.gz UIMARZXNBPRQFT-MNOVXSKESA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC000399569602 711431484 /nfs/dbraw/zinc/43/14/84/711431484.db2.gz OGIAAHYUDFSEFB-UTUOFQBUSA-N 0 3 219.328 2.869 20 10 BFCDHN C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC000399569602 711431485 /nfs/dbraw/zinc/43/14/85/711431485.db2.gz OGIAAHYUDFSEFB-UTUOFQBUSA-N 0 3 219.328 2.869 20 10 BFCDHN C[C@]1([NH2+]Cc2ccccc2[O-])CC=CCC1 ZINC000398261926 711406813 /nfs/dbraw/zinc/40/68/13/711406813.db2.gz VEAIBSUXMZTBNK-AWEZNQCLSA-N 0 3 217.312 2.981 20 10 BFCDHN CC[C@H]1C[NH+](Cc2ccccc2[O-])C[C@H](CC)O1 ZINC000398765572 711415105 /nfs/dbraw/zinc/41/51/05/711415105.db2.gz GOTWZQIEYNPXSN-KBPBESRZSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+]CCF)c2c1c(F)ccc2[O-] ZINC000393785058 710691677 /nfs/dbraw/zinc/69/16/77/710691677.db2.gz WZFTUVWTGRLVCS-VXNVDRBHSA-N 0 3 227.254 2.639 20 10 BFCDHN C[C@H](F)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000382173598 710803935 /nfs/dbraw/zinc/80/39/35/710803935.db2.gz XETMBLSEXDVVCA-IUCAKERBSA-N 0 3 229.270 2.930 20 10 BFCDHN C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000397793564 711391801 /nfs/dbraw/zinc/39/18/01/711391801.db2.gz ATEJFFINCRDFAE-JLLWLGSASA-N 0 3 249.379 2.721 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701936779 712032779 /nfs/dbraw/zinc/03/27/79/712032779.db2.gz PFGZMUQJFCYZCJ-SECBINFHSA-N 0 3 245.244 2.666 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000706491152 712147575 /nfs/dbraw/zinc/14/75/75/712147575.db2.gz ABUUPCSCFXXVSE-SRVKXCTJSA-N 0 3 235.327 2.529 20 10 BFCDHN COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000709303971 712219445 /nfs/dbraw/zinc/21/94/45/712219445.db2.gz NSASNKRIUGODBZ-LBPRGKRZSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1[O-] ZINC000715317746 712516007 /nfs/dbraw/zinc/51/60/07/712516007.db2.gz BDSIWDDEINWUIU-YPMHNXCESA-N 0 3 217.312 2.985 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)c([O-])c1 ZINC000715322918 712521341 /nfs/dbraw/zinc/52/13/41/712521341.db2.gz QYXYNHQVASOZFW-ZWNOBZJWSA-N 0 3 217.312 2.904 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(O)c1 ZINC000037151079 712547816 /nfs/dbraw/zinc/54/78/16/712547816.db2.gz MKCDNQSOWDXKPR-NSHDSACASA-N 0 3 243.306 2.949 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(O)c1 ZINC000037151082 712547866 /nfs/dbraw/zinc/54/78/66/712547866.db2.gz MKCDNQSOWDXKPR-LLVKDONJSA-N 0 3 243.306 2.949 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717616182 712662386 /nfs/dbraw/zinc/66/23/86/712662386.db2.gz VZAJZOATZNAKMV-KGLIPLIRSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H]([NH2+]CCCCF)c1ccccc1[O-] ZINC000380074947 712684899 /nfs/dbraw/zinc/68/48/99/712684899.db2.gz FBUAPOYOOJCIIA-JTQLQIEISA-N 0 3 211.280 2.793 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000038043885 712803332 /nfs/dbraw/zinc/80/33/32/712803332.db2.gz NTWSSSBOXUGPJZ-GXTWGEPZSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccccc1[O-] ZINC000719550658 712809181 /nfs/dbraw/zinc/80/91/81/712809181.db2.gz HRJMHKXLATTXGZ-KWCYVHTRSA-N 0 3 248.370 2.526 20 10 BFCDHN COC(C)(C)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000720201368 712829235 /nfs/dbraw/zinc/82/92/35/712829235.db2.gz KIAPSARXNLADEA-JQWIXIFHSA-N 0 3 249.354 2.783 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)CC(C)C)c([O-])c1 ZINC001236817018 966555405 /nfs/dbraw/zinc/55/54/05/966555405.db2.gz BGQHYNZPGZPEOQ-UHFFFAOYSA-N 0 3 237.343 2.797 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)CC(C)C)c([O-])c1 ZINC001236817018 966555419 /nfs/dbraw/zinc/55/54/19/966555419.db2.gz BGQHYNZPGZPEOQ-UHFFFAOYSA-N 0 3 237.343 2.797 20 10 BFCDHN [O-]c1cccc2c1C[N@H+](CCC1CC1)CC2 ZINC001208688028 969186920 /nfs/dbraw/zinc/18/69/20/969186920.db2.gz JBEHHPUKAFQMRC-UHFFFAOYSA-N 0 3 217.312 2.550 20 10 BFCDHN [O-]c1cccc2c1C[N@@H+](CCC1CC1)CC2 ZINC001208688028 969186927 /nfs/dbraw/zinc/18/69/27/969186927.db2.gz JBEHHPUKAFQMRC-UHFFFAOYSA-N 0 3 217.312 2.550 20 10 BFCDHN C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000402174339 970766326 /nfs/dbraw/zinc/76/63/26/970766326.db2.gz XQKHCQAFSFRILS-CHWSQXEVSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1[O-] ZINC000402174340 970768908 /nfs/dbraw/zinc/76/89/08/970768908.db2.gz XQKHCQAFSFRILS-OLZOCXBDSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H]1CN(Cc2cc(C)ccc2O)[C@@H](C)CO1 ZINC000403890852 971084800 /nfs/dbraw/zinc/08/48/00/971084800.db2.gz RBNNVWOQTYFVOB-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3[O-])C[C@@H]21 ZINC001170724428 971655881 /nfs/dbraw/zinc/65/58/81/971655881.db2.gz JSXHIKPNUXWWPX-UOJUARBOSA-N 0 3 247.338 2.622 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCOC2CCC2)c([O-])c1 ZINC000690703752 957770943 /nfs/dbraw/zinc/77/09/43/957770943.db2.gz YTWQCGUPEAXZFT-LBPRGKRZSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccccc1[O-] ZINC000316763165 972292878 /nfs/dbraw/zinc/29/28/78/972292878.db2.gz NMUFNFODOOCCNN-HIFRSBDPSA-N 0 3 249.354 2.594 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403321546 958472621 /nfs/dbraw/zinc/47/26/21/958472621.db2.gz LPIKEGLSRPQAAB-GIPNMCIBSA-N 0 3 235.302 2.810 20 10 BFCDHN CC(C)OC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000695084448 960086873 /nfs/dbraw/zinc/08/68/73/960086873.db2.gz DBDQAMJBFCLBAE-UHFFFAOYSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@@H](F)C[C@H]2C)c1 ZINC001140617685 960460409 /nfs/dbraw/zinc/46/04/09/960460409.db2.gz XDXDPFXLWDBANA-PWSUYJOCSA-N 0 3 223.291 2.633 20 10 BFCDHN CC(=O)[C@H]1CCCCN1Cc1cc(C)ccc1O ZINC001140623403 960465364 /nfs/dbraw/zinc/46/53/64/960465364.db2.gz QLLCOEQJBVSHGS-CQSZACIVSA-N 0 3 247.338 2.644 20 10 BFCDHN Cc1ccc(C[N@@H+](C)C2CC(C)C2)c([O-])c1 ZINC001140948178 960747923 /nfs/dbraw/zinc/74/79/23/960747923.db2.gz WTDQNQOKOKCBGQ-UHFFFAOYSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+](C)C2CC(C)C2)c([O-])c1 ZINC001140948178 960747938 /nfs/dbraw/zinc/74/79/38/960747938.db2.gz WTDQNQOKOKCBGQ-UHFFFAOYSA-N 0 3 219.328 2.931 20 10 BFCDHN CO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CCC1 ZINC000692872489 961013853 /nfs/dbraw/zinc/01/38/53/961013853.db2.gz PYKPCUIOJCLULT-IAQYHMDHSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CCC1 ZINC000692872491 961014086 /nfs/dbraw/zinc/01/40/86/961014086.db2.gz PYKPCUIOJCLULT-XHDPSFHLSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@H](C[NH2+]Cc1ccccc1[O-])C1CCCC1 ZINC000692916798 961322475 /nfs/dbraw/zinc/32/24/75/961322475.db2.gz WAKISORDHFYVES-OAHLLOKOSA-N 0 3 249.354 2.687 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@H](OC)C2)c([O-])c1 ZINC001236784341 966533109 /nfs/dbraw/zinc/53/31/09/966533109.db2.gz UZYYDFOBGKRABB-AWEZNQCLSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@H](OC)C2)c([O-])c1 ZINC001236784341 966533122 /nfs/dbraw/zinc/53/31/22/966533122.db2.gz UZYYDFOBGKRABB-AWEZNQCLSA-N 0 3 249.354 2.565 20 10 BFCDHN COC[C@H]1CC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237051984 966629488 /nfs/dbraw/zinc/62/94/88/966629488.db2.gz SCLKUFVTOGJYIW-CQSZACIVSA-N 0 3 249.354 2.736 20 10 BFCDHN COC[C@H]1CC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237051984 966629496 /nfs/dbraw/zinc/62/94/96/966629496.db2.gz SCLKUFVTOGJYIW-CQSZACIVSA-N 0 3 249.354 2.736 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237489445 966665909 /nfs/dbraw/zinc/66/59/09/966665909.db2.gz HSADBFQFJATDDD-GMXVVIOVSA-N 0 3 235.302 2.633 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237489445 966665914 /nfs/dbraw/zinc/66/59/14/966665914.db2.gz HSADBFQFJATDDD-GMXVVIOVSA-N 0 3 235.302 2.633 20 10 BFCDHN CCc1cccc(CN2CCOC(C)(C)C2)c1O ZINC000692113449 966764565 /nfs/dbraw/zinc/76/45/65/966764565.db2.gz DCFVQPPKQUKYFQ-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCCC12CC2 ZINC001204279984 966958456 /nfs/dbraw/zinc/95/84/56/966958456.db2.gz HKBFIEMAHAXCTF-UHFFFAOYSA-N 0 3 233.311 2.616 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCCC12CC2 ZINC001204279984 966958462 /nfs/dbraw/zinc/95/84/62/966958462.db2.gz HKBFIEMAHAXCTF-UHFFFAOYSA-N 0 3 233.311 2.616 20 10 BFCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC001204276524 966961154 /nfs/dbraw/zinc/96/11/54/966961154.db2.gz LNLGZLAJAOULMA-UHFFFAOYSA-N 0 3 247.338 2.864 20 10 BFCDHN Cc1cc(C[NH+](C)C)c([O-])cc1Br ZINC001250116670 967405851 /nfs/dbraw/zinc/40/58/51/967405851.db2.gz GIVIYRDIAGJASN-UHFFFAOYSA-N 0 3 244.132 2.525 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000701578914 967815513 /nfs/dbraw/zinc/81/55/13/967815513.db2.gz FBVCHWIYTUVNHI-LBPRGKRZSA-N 0 3 237.318 2.964 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000701578914 967815515 /nfs/dbraw/zinc/81/55/15/967815515.db2.gz FBVCHWIYTUVNHI-LBPRGKRZSA-N 0 3 237.318 2.964 20 10 BFCDHN CCOc1ccc(C[NH2+]C/C=C\C2CC2)c([O-])c1 ZINC001327867943 972767213 /nfs/dbraw/zinc/76/72/13/972767213.db2.gz HEDJYMAKXDZNSO-ARJAWSKDSA-N 0 3 247.338 2.847 20 10 BFCDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[O-] ZINC001172219119 974448049 /nfs/dbraw/zinc/44/80/49/974448049.db2.gz KIMFRBCMFPYJGV-WODVXLOZSA-N 0 3 247.338 2.753 20 10 BFCDHN CCOCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172412944 974679616 /nfs/dbraw/zinc/67/96/16/974679616.db2.gz XTYMIKQILPCLGY-NEPJUHHUSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173269305 975140188 /nfs/dbraw/zinc/14/01/88/975140188.db2.gz VEZXRHSUUXEZIN-ZYHUDNBSSA-N 0 3 235.327 2.766 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2C=CCCC2)c([O-])c1 ZINC001330625272 975644681 /nfs/dbraw/zinc/64/46/81/975644681.db2.gz MZJDQBKOSBTTRW-ZDUSSCGKSA-N 0 3 217.312 2.899 20 10 BFCDHN CC(=O)[C@H]1CCCCN1Cc1cccc(C)c1O ZINC001231594212 977641781 /nfs/dbraw/zinc/64/17/81/977641781.db2.gz YAFOLJYGMQRABZ-CQSZACIVSA-N 0 3 247.338 2.644 20 10 BFCDHN Cc1cc(C)c(CN2CCOC(C)(C)C2)c(O)c1 ZINC001231842071 977762167 /nfs/dbraw/zinc/76/21/67/977762167.db2.gz JJIZDFNYIWVELC-UHFFFAOYSA-N 0 3 249.354 2.620 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001204276993 978928701 /nfs/dbraw/zinc/92/87/01/978928701.db2.gz VDUBMMRYMXDINA-RYUDHWBXSA-N 0 3 247.338 2.720 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001204276993 978928705 /nfs/dbraw/zinc/92/87/05/978928705.db2.gz VDUBMMRYMXDINA-RYUDHWBXSA-N 0 3 247.338 2.720 20 10 BFCDHN CC(C)(C)c1ccc(C[NH+]2CCC2)c([O-])c1 ZINC001235676926 979117136 /nfs/dbraw/zinc/11/71/36/979117136.db2.gz XLJPEDBKVYFHPJ-UHFFFAOYSA-N 0 3 219.328 2.895 20 10 BFCDHN COc1cc(C)c(C[NH+]2CC3CC(C3)C2)c([O-])c1 ZINC001236817154 979747127 /nfs/dbraw/zinc/74/71/27/979747127.db2.gz CEUPIWBOMRHFDL-UHFFFAOYSA-N 0 3 247.338 2.551 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC001236817713 979748998 /nfs/dbraw/zinc/74/89/98/979748998.db2.gz GOYBNIPSIJPCRY-NSHDSACASA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC001236817713 979749008 /nfs/dbraw/zinc/74/90/08/979749008.db2.gz GOYBNIPSIJPCRY-NSHDSACASA-N 0 3 249.354 2.941 20 10 BFCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC1 ZINC001236839667 979754992 /nfs/dbraw/zinc/75/49/92/979754992.db2.gz LHMDPELWNSOFHY-UHFFFAOYSA-N 0 3 213.280 2.751 20 10 BFCDHN CC(C)c1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC001237044925 979808574 /nfs/dbraw/zinc/80/85/74/979808574.db2.gz FVFYRASEWAQPBA-UHFFFAOYSA-N 0 3 249.354 2.738 20 10 BFCDHN CC(C)c1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC001237044925 979808578 /nfs/dbraw/zinc/80/85/78/979808578.db2.gz FVFYRASEWAQPBA-UHFFFAOYSA-N 0 3 249.354 2.738 20 10 BFCDHN CC[N@H+](C)Cc1ccc(C(C)C)cc1[O-] ZINC001237048834 979810542 /nfs/dbraw/zinc/81/05/42/979810542.db2.gz XDRTVTKPZPMCBL-UHFFFAOYSA-N 0 3 207.317 2.967 20 10 BFCDHN CC[N@@H+](C)Cc1ccc(C(C)C)cc1[O-] ZINC001237048834 979810549 /nfs/dbraw/zinc/81/05/49/979810549.db2.gz XDRTVTKPZPMCBL-UHFFFAOYSA-N 0 3 207.317 2.967 20 10 BFCDHN COC[C@H]1CCCC[N@@H+]1Cc1c(C)cccc1[O-] ZINC001237484870 979910818 /nfs/dbraw/zinc/91/08/18/979910818.db2.gz JFVORKTVPCEEIM-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN COC[C@H]1CCCC[N@H+]1Cc1c(C)cccc1[O-] ZINC001237484870 979910832 /nfs/dbraw/zinc/91/08/32/979910832.db2.gz JFVORKTVPCEEIM-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@H](C)C1 ZINC001237490912 979920076 /nfs/dbraw/zinc/92/00/76/979920076.db2.gz JHYZUEKIKDEIEA-CHWSQXEVSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@H](C)C1 ZINC001237490912 979920084 /nfs/dbraw/zinc/92/00/84/979920084.db2.gz JHYZUEKIKDEIEA-CHWSQXEVSA-N 0 3 249.354 2.700 20 10 BFCDHN CSCC[N@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238068091 980137414 /nfs/dbraw/zinc/13/74/14/980137414.db2.gz UENXAMMBVNMGRX-UHFFFAOYSA-N 0 3 243.347 2.635 20 10 BFCDHN CSCC[N@@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238068091 980137420 /nfs/dbraw/zinc/13/74/20/980137420.db2.gz UENXAMMBVNMGRX-UHFFFAOYSA-N 0 3 243.347 2.635 20 10 BFCDHN CN(C)c1cc(F)c(CNC2(C)CC2)cc1F ZINC001348087283 981277499 /nfs/dbraw/zinc/27/74/99/981277499.db2.gz XHFJQCSMBRVBRV-UHFFFAOYSA-N 0 3 240.297 2.673 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCS[C@@H]2C)c([O-])c1 ZINC000877607277 983956909 /nfs/dbraw/zinc/95/69/09/983956909.db2.gz CLLQGWBGCSYIIZ-PWSUYJOCSA-N 0 3 237.368 2.684 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCSC1 ZINC001257682426 985269418 /nfs/dbraw/zinc/26/94/18/985269418.db2.gz YPSWMCFSEFXACP-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCSC1 ZINC001257682426 985269432 /nfs/dbraw/zinc/26/94/32/985269432.db2.gz YPSWMCFSEFXACP-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]2C(C)C)c([O-])c1 ZINC001462690074 986512298 /nfs/dbraw/zinc/51/22/98/986512298.db2.gz TUMCRDWPLHIGAF-QWHCGFSZSA-N 0 3 219.328 2.835 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCOC(C)(C)C1 ZINC001255546740 987003344 /nfs/dbraw/zinc/00/33/44/987003344.db2.gz QZXYBIPCKBHZGQ-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCOC(C)(C)C1 ZINC001255546740 987003357 /nfs/dbraw/zinc/00/33/57/987003357.db2.gz QZXYBIPCKBHZGQ-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@]1(C[N@@H+]2Cc3cccc([O-])c3C2)CCCCO1 ZINC001474677573 987797900 /nfs/dbraw/zinc/79/79/00/987797900.db2.gz PYKQPNSDCAKBJG-OAHLLOKOSA-N 0 3 247.338 2.667 20 10 BFCDHN C[C@]1(C[N@H+]2Cc3cccc([O-])c3C2)CCCCO1 ZINC001474677573 987797907 /nfs/dbraw/zinc/79/79/07/987797907.db2.gz PYKQPNSDCAKBJG-OAHLLOKOSA-N 0 3 247.338 2.667 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@]1(C)CCCCO1 ZINC001308623862 991063306 /nfs/dbraw/zinc/06/33/06/991063306.db2.gz IBCNYDUYOYPBRE-OAHLLOKOSA-N 0 3 249.354 2.783 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@]1(C)CCCCO1 ZINC001308623862 991063316 /nfs/dbraw/zinc/06/33/16/991063316.db2.gz IBCNYDUYOYPBRE-OAHLLOKOSA-N 0 3 249.354 2.783 20 10 BFCDHN COc1cc(C)c(C[NH2+][C@H]2CC[C@H](C)C2)c([O-])c1 ZINC001308941157 991228880 /nfs/dbraw/zinc/22/88/80/991228880.db2.gz ZVEMBLSETCMSBM-JQWIXIFHSA-N 0 3 249.354 2.987 20 10 BFCDHN C=Cn1cc(C[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC001560575763 991504446 /nfs/dbraw/zinc/50/44/46/991504446.db2.gz RPUGTYPUKRWZPW-LLVKDONJSA-N 0 3 243.310 2.540 20 10 BFCDHN C[C@H]([NH2+]Cc1ccc(F)nc1)c1ccccc1[O-] ZINC001560575739 991506028 /nfs/dbraw/zinc/50/60/28/991506028.db2.gz QDEFLBZQONTGPU-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN Oc1ccc(F)cc1CN1CC2(CCC2)C1 ZINC001140057596 991509636 /nfs/dbraw/zinc/50/96/36/991509636.db2.gz HILHFOPSQLKOOU-UHFFFAOYSA-N 0 3 221.275 2.517 20 10 BFCDHN COc1cc(C)c(C[NH2+]CC[C@@H](C)F)c([O-])c1 ZINC001560849662 991620898 /nfs/dbraw/zinc/62/08/98/991620898.db2.gz ZLNBJMGLUVGVFF-SNVBAGLBSA-N 0 3 241.306 2.547 20 10 BFCDHN CSC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296423167 398137766 /nfs/dbraw/zinc/13/77/66/398137766.db2.gz LOTXKIYLGCOVQQ-NSHDSACASA-N 0 3 249.379 2.865 20 10 BFCDHN CS[C@@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296833255 398191698 /nfs/dbraw/zinc/19/16/98/398191698.db2.gz MQONUQDWBKWFGV-GXSJLCMTSA-N 0 3 237.368 2.721 20 10 BFCDHN CS[C@@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296833261 398191798 /nfs/dbraw/zinc/19/17/98/398191798.db2.gz MQONUQDWBKWFGV-ONGXEEELSA-N 0 3 237.368 2.721 20 10 BFCDHN Cc1cc(O)c(CN2CCSCC2)cc1C ZINC000059579808 178196126 /nfs/dbraw/zinc/19/61/26/178196126.db2.gz QFRGBKPVYDUYRS-UHFFFAOYSA-N 0 3 237.368 2.558 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccccc1[O-] ZINC000295036691 398264678 /nfs/dbraw/zinc/26/46/78/398264678.db2.gz MFZNOCBNXSKFFM-DYEKYZERSA-N 0 3 249.354 2.594 20 10 BFCDHN CCC(CC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070954634 168389718 /nfs/dbraw/zinc/38/97/18/168389718.db2.gz DIVPWLOZPHIKJE-UHFFFAOYSA-N 0 3 207.317 2.979 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000124384058 398338932 /nfs/dbraw/zinc/33/89/32/398338932.db2.gz YMFDEJORJDNWDO-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C)c1 ZINC000124384058 398338933 /nfs/dbraw/zinc/33/89/33/398338933.db2.gz YMFDEJORJDNWDO-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1[O-] ZINC000019963759 342965055 /nfs/dbraw/zinc/96/50/55/342965055.db2.gz VVKCTSWDFUDJKJ-YPMHNXCESA-N 0 3 235.327 2.612 20 10 BFCDHN CCN(C)c1ccc([C@H](C)NCCF)cc1 ZINC000280928118 187241160 /nfs/dbraw/zinc/24/11/60/187241160.db2.gz FFFCYWTYJBPOAT-NSHDSACASA-N 0 3 224.323 2.763 20 10 BFCDHN CCOc1cccc(C[NH2+][C@H](C)C2CC2)c1[O-] ZINC000035733305 343303205 /nfs/dbraw/zinc/30/32/05/343303205.db2.gz VRKYXPWJZMDXCB-SNVBAGLBSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000296429152 136376079 /nfs/dbraw/zinc/37/60/79/136376079.db2.gz LTSDTFGOGKMPAT-GHMZBOCLSA-N 0 3 237.343 2.592 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C1CC1 ZINC000179683934 346992545 /nfs/dbraw/zinc/99/25/45/346992545.db2.gz GSGJMAKMOCAVKY-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C1CC1 ZINC000179683934 346992547 /nfs/dbraw/zinc/99/25/47/346992547.db2.gz GSGJMAKMOCAVKY-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CCN(Cc1ccccn1)Cc1ccccc1O ZINC000179573914 346988914 /nfs/dbraw/zinc/98/89/14/346988914.db2.gz SGEPRWGJMSLGBV-UHFFFAOYSA-N 0 3 242.322 2.809 20 10 BFCDHN CC[C@@H](O)CC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000119249212 344843301 /nfs/dbraw/zinc/84/33/01/344843301.db2.gz JHIJAADORWYRJV-DGCLKSJQSA-N 0 3 237.343 2.594 20 10 BFCDHN CC1(C)C[C@H]([NH2+]Cc2ccccc2[O-])C(C)(C)O1 ZINC000130443044 345275475 /nfs/dbraw/zinc/27/54/75/345275475.db2.gz ZYZYUOKEACZNJX-ZDUSSCGKSA-N 0 3 249.354 2.828 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccccc1[O-] ZINC000295036693 187363335 /nfs/dbraw/zinc/36/33/35/187363335.db2.gz MFZNOCBNXSKFFM-MBNYWOFBSA-N 0 3 249.354 2.594 20 10 BFCDHN CC(C)=CCNCc1ccc(N(C)C)cc1 ZINC000219396382 187319057 /nfs/dbraw/zinc/31/90/57/187319057.db2.gz UXHFFMLAZZPKRK-UHFFFAOYSA-N 0 3 218.344 2.808 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCCOC(C)(C)C2)c1[O-] ZINC000378441077 179073763 /nfs/dbraw/zinc/07/37/63/179073763.db2.gz FJZPSSVGBWYBIB-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(C[N@H+]2CCCOC(C)(C)C2)c1[O-] ZINC000378441077 179073765 /nfs/dbraw/zinc/07/37/65/179073765.db2.gz FJZPSSVGBWYBIB-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000180685922 179080834 /nfs/dbraw/zinc/08/08/34/179080834.db2.gz HMDOBMZIMKNMGO-JQWIXIFHSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000180685922 179080838 /nfs/dbraw/zinc/08/08/38/179080838.db2.gz HMDOBMZIMKNMGO-JQWIXIFHSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000180445053 179085015 /nfs/dbraw/zinc/08/50/15/179085015.db2.gz GEAWCMMWLWTPNU-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000180445053 179085017 /nfs/dbraw/zinc/08/50/17/179085017.db2.gz GEAWCMMWLWTPNU-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1ncsc1CN(C)Cc1ccccc1O ZINC000091974636 180312744 /nfs/dbraw/zinc/31/27/44/180312744.db2.gz VLXKJPCLMLGKPZ-UHFFFAOYSA-N 0 3 248.351 2.789 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)CCO)c1ccc(C)cc1[O-] ZINC000280121780 351834607 /nfs/dbraw/zinc/83/46/07/351834607.db2.gz OHHIZXRIBRRMLA-DGCLKSJQSA-N 0 3 237.343 2.512 20 10 BFCDHN CC(C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000226562166 352335558 /nfs/dbraw/zinc/33/55/58/352335558.db2.gz TYRGFOCYYCLAEE-UHFFFAOYSA-N 0 3 211.280 2.619 20 10 BFCDHN CC(C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000226562166 352335559 /nfs/dbraw/zinc/33/55/59/352335559.db2.gz TYRGFOCYYCLAEE-UHFFFAOYSA-N 0 3 211.280 2.619 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c([O-])c1 ZINC000296642559 364785737 /nfs/dbraw/zinc/78/57/37/364785737.db2.gz YFRIWBWKBGKHQS-BXUZGUMPSA-N 0 3 249.354 2.919 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCOCC1)CC2 ZINC000296648368 364785743 /nfs/dbraw/zinc/78/57/43/364785743.db2.gz DGJKKTXDUJJYMX-QWHCGFSZSA-N 0 3 247.338 2.538 20 10 BFCDHN CCC[N@H+](C)Cc1cccc(OCC)c1[O-] ZINC000132582504 169080708 /nfs/dbraw/zinc/08/07/08/169080708.db2.gz QFEAORHEFMQXDK-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCC[N@@H+](C)Cc1cccc(OCC)c1[O-] ZINC000132582504 169080709 /nfs/dbraw/zinc/08/07/09/169080709.db2.gz QFEAORHEFMQXDK-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000378494856 183274716 /nfs/dbraw/zinc/27/47/16/183274716.db2.gz LMHWXPYGHVAMGN-CYBMUJFWSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000378494856 183274719 /nfs/dbraw/zinc/27/47/19/183274719.db2.gz LMHWXPYGHVAMGN-CYBMUJFWSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000378494857 183275762 /nfs/dbraw/zinc/27/57/62/183275762.db2.gz LMHWXPYGHVAMGN-ZDUSSCGKSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000378494857 183275765 /nfs/dbraw/zinc/27/57/65/183275765.db2.gz LMHWXPYGHVAMGN-ZDUSSCGKSA-N 0 3 235.302 2.906 20 10 BFCDHN Oc1cccc2c1[C@H](NCc1ccco1)CC2 ZINC000296031293 183298461 /nfs/dbraw/zinc/29/84/61/183298461.db2.gz QDHXAOUZOIELBY-GFCCVEGCSA-N 0 3 229.279 2.762 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284933203 183301300 /nfs/dbraw/zinc/30/13/00/183301300.db2.gz GZYFLHAMUHDYOD-UKRRQHHQSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284933203 183301302 /nfs/dbraw/zinc/30/13/02/183301302.db2.gz GZYFLHAMUHDYOD-UKRRQHHQSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284933201 183302264 /nfs/dbraw/zinc/30/22/64/183302264.db2.gz GZYFLHAMUHDYOD-HIFRSBDPSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284933201 183302265 /nfs/dbraw/zinc/30/22/65/183302265.db2.gz GZYFLHAMUHDYOD-HIFRSBDPSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000132776122 183302454 /nfs/dbraw/zinc/30/24/54/183302454.db2.gz FHUWVJGXAWDAJS-VXGBXAGGSA-N 0 3 217.312 2.624 20 10 BFCDHN Oc1ccccc1CNCc1cc(F)ccc1F ZINC000083380263 183303279 /nfs/dbraw/zinc/30/32/79/183303279.db2.gz DQPGDGVBHFMCFA-UHFFFAOYSA-N 0 3 249.260 2.960 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CC=CCC1 ZINC000076771115 183303537 /nfs/dbraw/zinc/30/35/37/183303537.db2.gz ZBBHUTDIYMBHKT-LBPRGKRZSA-N 0 3 203.285 2.591 20 10 BFCDHN CCC[C@@H](C[NH2+]Cc1cc(C)ccc1[O-])OC ZINC000293649971 169384402 /nfs/dbraw/zinc/38/44/02/169384402.db2.gz KJZGURKWGBIVRY-ZDUSSCGKSA-N 0 3 237.343 2.605 20 10 BFCDHN CCC[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000293701266 169386162 /nfs/dbraw/zinc/38/61/62/169386162.db2.gz OWWTVCWGGFNKIG-QWHCGFSZSA-N 0 3 249.354 2.784 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000035628717 383866747 /nfs/dbraw/zinc/86/67/47/383866747.db2.gz DUPHKTDQASOFHY-NEPJUHHUSA-N 0 3 235.327 2.530 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000035628720 383867141 /nfs/dbraw/zinc/86/71/41/383867141.db2.gz DUPHKTDQASOFHY-NWDGAFQWSA-N 0 3 235.327 2.530 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C2CCOCC2)c([O-])c1 ZINC000036308405 383896644 /nfs/dbraw/zinc/89/66/44/383896644.db2.gz RMOGIUUZAWTYBT-NSHDSACASA-N 0 3 235.327 2.530 20 10 BFCDHN C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296266974 384011473 /nfs/dbraw/zinc/01/14/73/384011473.db2.gz DMIOAKUXFAVNIE-RYUDHWBXSA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCOC2)c1 ZINC000038044678 384062417 /nfs/dbraw/zinc/06/24/17/384062417.db2.gz HQGDJVIVIIYMPZ-CHWSQXEVSA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000091860260 384117618 /nfs/dbraw/zinc/11/76/18/384117618.db2.gz WRWZYKLJCGERTC-NEPJUHHUSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000091860260 384117624 /nfs/dbraw/zinc/11/76/24/384117624.db2.gz WRWZYKLJCGERTC-NEPJUHHUSA-N 0 3 219.328 2.931 20 10 BFCDHN COC[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093337998 384229837 /nfs/dbraw/zinc/22/98/37/384229837.db2.gz FQLNXSBHPRLLLF-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093337998 384229843 /nfs/dbraw/zinc/22/98/43/384229843.db2.gz FQLNXSBHPRLLLF-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CO[C@@]1(C)C[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000072926521 384238438 /nfs/dbraw/zinc/23/84/38/384238438.db2.gz BFSNYBVENUGLIL-ZFWWWQNUSA-N 0 3 249.354 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000160587696 384422397 /nfs/dbraw/zinc/42/23/97/384422397.db2.gz RQTBNVNTLGOBTD-CYBMUJFWSA-N 0 3 249.354 2.748 20 10 BFCDHN C[C@@H]([NH2+]CCc1ccncc1)c1ccccc1[O-] ZINC000048261301 384483375 /nfs/dbraw/zinc/48/33/75/384483375.db2.gz VKCXHCVMZZPXRM-GFCCVEGCSA-N 0 3 242.322 2.681 20 10 BFCDHN CC[C@@H](COC)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000079733414 384512141 /nfs/dbraw/zinc/51/21/41/384512141.db2.gz MIKZQRCHQRLSJL-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2)c([O-])c1 ZINC000020141332 384586295 /nfs/dbraw/zinc/58/62/95/384586295.db2.gz MTVWFYUEWUJTHF-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@@H](CSC)[NH2+]Cc1cccc(C)c1[O-] ZINC000162733245 384677120 /nfs/dbraw/zinc/67/71/20/384677120.db2.gz YCGVLUXLNRQJEF-LBPRGKRZSA-N 0 3 239.384 2.932 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000186793542 384885197 /nfs/dbraw/zinc/88/51/97/384885197.db2.gz FSAIBAAZVDIQDU-NJZAAPMLSA-N 0 3 249.354 2.655 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(C)(C)O1 ZINC000187245925 384928159 /nfs/dbraw/zinc/92/81/59/384928159.db2.gz VTWQVEZAUZFESZ-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(C)(C)O1 ZINC000187245925 384928164 /nfs/dbraw/zinc/92/81/64/384928164.db2.gz VTWQVEZAUZFESZ-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN CS[C@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000128145538 384929815 /nfs/dbraw/zinc/92/98/15/384929815.db2.gz PIGKTVJNQABEFN-SNVBAGLBSA-N 0 3 225.357 2.542 20 10 BFCDHN CSC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000128220704 384938294 /nfs/dbraw/zinc/93/82/94/384938294.db2.gz OQCOAOZYZMDUQN-UHFFFAOYSA-N 0 3 225.357 2.623 20 10 BFCDHN C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccccc1[O-] ZINC000087016949 385066147 /nfs/dbraw/zinc/06/61/47/385066147.db2.gz YUKNOBANUVNYDA-GFCCVEGCSA-N 0 3 249.354 2.738 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000087111369 385074510 /nfs/dbraw/zinc/07/45/10/385074510.db2.gz SCAXDURHSOMVBS-BDAKNGLRSA-N 0 3 223.291 2.980 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189282041 385139916 /nfs/dbraw/zinc/13/99/16/385139916.db2.gz ITGTUIUJSMJLQS-DYEKYZERSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[NH+](CC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000129940050 385201504 /nfs/dbraw/zinc/20/15/04/385201504.db2.gz AINDHQIEQWRRJG-UHFFFAOYSA-N 0 3 243.734 2.896 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C2CCC2)c([O-])c1 ZINC000052207485 385242971 /nfs/dbraw/zinc/24/29/71/385242971.db2.gz ZCIQDVOQAIIHIP-JTQLQIEISA-N 0 3 205.301 2.904 20 10 BFCDHN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000191647274 385314401 /nfs/dbraw/zinc/31/44/01/385314401.db2.gz OIMCEVOMGOQBEY-SRVKXCTJSA-N 0 3 237.343 2.775 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000130608689 385266379 /nfs/dbraw/zinc/26/63/79/385266379.db2.gz LZYQJZADDGIRTK-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000130608689 385266388 /nfs/dbraw/zinc/26/63/88/385266388.db2.gz LZYQJZADDGIRTK-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN CC[C@@H]([NH2+]CCF)c1ccc(C)cc1[O-] ZINC000280878827 385380545 /nfs/dbraw/zinc/38/05/45/385380545.db2.gz AUJHOILJHCXUGA-LLVKDONJSA-N 0 3 211.280 2.711 20 10 BFCDHN CSC1(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000193829866 385415303 /nfs/dbraw/zinc/41/53/03/385415303.db2.gz BLNKFOMKTNYYKM-JTQLQIEISA-N 0 3 237.368 2.938 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000156102551 385435658 /nfs/dbraw/zinc/43/56/58/385435658.db2.gz IPOGSBGGQQEDFZ-CHWSQXEVSA-N 0 3 231.339 2.933 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272827756 385474923 /nfs/dbraw/zinc/47/49/23/385474923.db2.gz HBQISUXOPIGBMH-FRRDWIJNSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccccc1[O-] ZINC000280902418 385617736 /nfs/dbraw/zinc/61/77/36/385617736.db2.gz FUVOQASDGKAWSU-WCQYABFASA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000252807638 385662638 /nfs/dbraw/zinc/66/26/38/385662638.db2.gz IZIBXPXEWSGANZ-AVGNSLFASA-N 0 3 249.354 2.776 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1[O-] ZINC000253076987 385667086 /nfs/dbraw/zinc/66/70/86/385667086.db2.gz RSIOSWZDHMAXNL-OBJOEFQTSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCSC2)c1 ZINC000230667555 385746565 /nfs/dbraw/zinc/74/65/65/385746565.db2.gz LWDPJFDHSFSAFC-MNOVXSKESA-N 0 3 237.368 2.857 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cn[nH]c1 ZINC000230669636 385746808 /nfs/dbraw/zinc/74/68/08/385746808.db2.gz DAQDWMNRSMJYBW-RKDXNWHRSA-N 0 3 249.289 2.666 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCOCC2)c1 ZINC000186234128 385749254 /nfs/dbraw/zinc/74/92/54/385749254.db2.gz XVDVWDVUTBBXMC-QWHCGFSZSA-N 0 3 249.354 2.920 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1[O-] ZINC000183564799 385772560 /nfs/dbraw/zinc/77/25/60/385772560.db2.gz IJKAPYZBFPVDCX-NWDGAFQWSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1[O-] ZINC000183558913 385772677 /nfs/dbraw/zinc/77/26/77/385772677.db2.gz MJZTUQOYKCBMGE-RWMBFGLXSA-N 0 3 249.354 2.594 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]C2(CC)CC2)c1 ZINC000294826808 385901812 /nfs/dbraw/zinc/90/18/12/385901812.db2.gz PPVUAVOQNVKCMX-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)c([O-])c1 ZINC000273576817 386014702 /nfs/dbraw/zinc/01/47/02/386014702.db2.gz LXQUMYITUVIOJK-LBPRGKRZSA-N 0 3 244.338 2.890 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000287612317 386138046 /nfs/dbraw/zinc/13/80/46/386138046.db2.gz SNMHCSGCPRXONJ-AVGNSLFASA-N 0 3 249.354 2.715 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000287612318 386138181 /nfs/dbraw/zinc/13/81/81/386138181.db2.gz SNMHCSGCPRXONJ-FRRDWIJNSA-N 0 3 249.354 2.715 20 10 BFCDHN Cn1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297731205 386275414 /nfs/dbraw/zinc/27/54/14/386275414.db2.gz NPBVEFRMYFPWQB-ZDUSSCGKSA-N 0 3 242.322 2.508 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000227340421 386475005 /nfs/dbraw/zinc/47/50/05/386475005.db2.gz CSJDLZDQMJZNJX-AWEZNQCLSA-N 0 3 249.354 2.749 20 10 BFCDHN CC[C@H]([NH2+][C@H](COC)C1CC1)c1ccccc1[O-] ZINC000156854041 386638520 /nfs/dbraw/zinc/63/85/20/386638520.db2.gz JPEYRQYPASFDFM-UONOGXRCSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccccc1[O-] ZINC000228798003 386617966 /nfs/dbraw/zinc/61/79/66/386617966.db2.gz DRYAYGDHBJWWPS-GFCCVEGCSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCCO1 ZINC000248530146 386771098 /nfs/dbraw/zinc/77/10/98/386771098.db2.gz MDLNQWOAZZOHPM-MISXGVKJSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCOC2)c([O-])c1 ZINC000293905753 386900505 /nfs/dbraw/zinc/90/05/05/386900505.db2.gz WQYKNICRBJETLE-STQMWFEESA-N 0 3 249.354 2.696 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000368222102 386953123 /nfs/dbraw/zinc/95/31/23/386953123.db2.gz KKNJQEQXYCYLHQ-MDHDOXDCSA-N 0 3 247.338 2.671 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186612782 387116436 /nfs/dbraw/zinc/11/64/36/387116436.db2.gz UJIJQLMGZARKLL-UHFFFAOYSA-N 0 3 217.312 2.768 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCCC2(CC2)C1 ZINC000186612782 387116441 /nfs/dbraw/zinc/11/64/41/387116441.db2.gz UJIJQLMGZARKLL-UHFFFAOYSA-N 0 3 217.312 2.768 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCC2(O)CCC2)c([O-])c1 ZINC000284222216 387167409 /nfs/dbraw/zinc/16/74/09/387167409.db2.gz CUQKZPVPHVBWRZ-LBPRGKRZSA-N 0 3 249.354 2.656 20 10 BFCDHN CC[C@H]([NH2+]CC1=CCCOC1)c1ccccc1[O-] ZINC000287185313 387380692 /nfs/dbraw/zinc/38/06/92/387380692.db2.gz VMSXPTZDJXOHIY-AWEZNQCLSA-N 0 3 247.338 2.780 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000290106141 387512637 /nfs/dbraw/zinc/51/26/37/387512637.db2.gz KRBHSCFCLJKRAV-CYBMUJFWSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000527802568 387725037 /nfs/dbraw/zinc/72/50/37/387725037.db2.gz ANMYGRFOMQQJMS-YXMPFFBPSA-N 0 3 249.354 2.602 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1CC=CC1)CC2 ZINC000527952997 387782789 /nfs/dbraw/zinc/78/27/89/387782789.db2.gz VGKANUACRJKXHS-ZDUSSCGKSA-N 0 3 229.323 2.935 20 10 BFCDHN CCN(CC[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000183482446 387941525 /nfs/dbraw/zinc/94/15/25/387941525.db2.gz CKKJTYCOHAMAPA-GFCCVEGCSA-N 0 3 248.370 2.527 20 10 BFCDHN CO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000293636869 388390875 /nfs/dbraw/zinc/39/08/75/388390875.db2.gz GWLPZEXIORXGEP-ABAIWWIYSA-N 0 3 249.354 2.776 20 10 BFCDHN CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000293770790 388391552 /nfs/dbraw/zinc/39/15/52/388391552.db2.gz SDLTUZJPSOOEDA-ABAIWWIYSA-N 0 3 249.354 2.776 20 10 BFCDHN CC1(C)SC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296619786 388424776 /nfs/dbraw/zinc/42/47/76/388424776.db2.gz ZBJINAGPKRWJPR-JQWIXIFHSA-N 0 3 249.379 2.863 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C2CC2)c([O-])c1C ZINC000134901680 388480051 /nfs/dbraw/zinc/48/00/51/388480051.db2.gz WEPGGFOZNSOXNH-SNVBAGLBSA-N 0 3 205.301 2.822 20 10 BFCDHN C/C(Cl)=C/CN(C)Cc1ccccc1O ZINC000528414957 388706338 /nfs/dbraw/zinc/70/63/38/388706338.db2.gz CDESFWBBZUKPTI-YFHOEESVSA-N 0 3 225.719 2.967 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1[O-] ZINC000228797616 388774654 /nfs/dbraw/zinc/77/46/54/388774654.db2.gz HMVMFMINGAXJRP-VHSXEESVSA-N 0 3 223.341 2.548 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])CC[C@H]1C ZINC000188323921 397882035 /nfs/dbraw/zinc/88/20/35/397882035.db2.gz DEFMPNUKFRIZOB-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CC[C@H]1C ZINC000188323921 397882039 /nfs/dbraw/zinc/88/20/39/397882039.db2.gz DEFMPNUKFRIZOB-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC=C(C)C2)c1 ZINC000281748297 398063271 /nfs/dbraw/zinc/06/32/71/398063271.db2.gz HNRHVLZGKBOWIO-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC=C(C)C2)c1 ZINC000281748297 398063274 /nfs/dbraw/zinc/06/32/74/398063274.db2.gz HNRHVLZGKBOWIO-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CC(C)OCCCC[NH2+]Cc1ccccc1[O-] ZINC000228564148 167206599 /nfs/dbraw/zinc/20/65/99/167206599.db2.gz VDOSFEREIIAVNP-UHFFFAOYSA-N 0 3 237.343 2.687 20 10 BFCDHN C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296367455 410012926 /nfs/dbraw/zinc/01/29/26/410012926.db2.gz JASLLTSUSXNEPN-ZYHUDNBSSA-N 0 3 249.354 2.519 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCCCCO)CC2 ZINC000296655665 410029755 /nfs/dbraw/zinc/02/97/55/410029755.db2.gz DRTQIHOEUMSFCL-ZDUSSCGKSA-N 0 3 249.354 2.522 20 10 BFCDHN CC/C=C/C[NH2+]Cc1cccc(C)c1[O-] ZINC000295080409 167856103 /nfs/dbraw/zinc/85/61/03/167856103.db2.gz RZKJJQWWCUDEJW-SNAWJCMRSA-N 0 3 205.301 2.756 20 10 BFCDHN CC1([NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000226582946 168063166 /nfs/dbraw/zinc/06/31/66/168063166.db2.gz FPCHMSRINIAHNU-UHFFFAOYSA-N 0 3 223.291 2.954 20 10 BFCDHN C[C@H]([NH2+]C1CC(C)C1)c1cc(F)ccc1[O-] ZINC000164633602 168146475 /nfs/dbraw/zinc/14/64/75/168146475.db2.gz YLFNQUXXUBDFND-YUCVTWSNSA-N 0 3 223.291 2.980 20 10 BFCDHN CCC(C)(C)[NH2+]Cc1cccc(C)c1[O-] ZINC000162834144 168299461 /nfs/dbraw/zinc/29/94/61/168299461.db2.gz QKGXZEAYOOYXDO-UHFFFAOYSA-N 0 3 207.317 2.979 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000091929971 171010690 /nfs/dbraw/zinc/01/06/90/171010690.db2.gz JKQKTNMIIBAACG-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000091929971 171010692 /nfs/dbraw/zinc/01/06/92/171010692.db2.gz JKQKTNMIIBAACG-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000076274246 171343384 /nfs/dbraw/zinc/34/33/84/171343384.db2.gz CRLKMILBZAGICI-QMMMGPOBSA-N 0 3 243.734 2.942 20 10 BFCDHN COCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618333 174408060 /nfs/dbraw/zinc/40/80/60/174408060.db2.gz RHVDVIZVVRSISH-VHSXEESVSA-N 0 3 241.306 2.607 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2CCC(C)CC2)c1 ZINC000131856670 175157001 /nfs/dbraw/zinc/15/70/01/175157001.db2.gz YUGFCSJFSZUZHT-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCCC2(C)C)c1 ZINC000134206823 175157265 /nfs/dbraw/zinc/15/72/65/175157265.db2.gz XJEYZKWPWBWGQB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCCC2(C)C)c1 ZINC000134206823 175157267 /nfs/dbraw/zinc/15/72/67/175157267.db2.gz XJEYZKWPWBWGQB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000180282312 175157362 /nfs/dbraw/zinc/15/73/62/175157362.db2.gz JVQYLHVHWOICSN-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000180282312 175157365 /nfs/dbraw/zinc/15/73/65/175157365.db2.gz JVQYLHVHWOICSN-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1ccc(O)c(CN2CC=C(C)CC2)c1 ZINC000271898947 175157375 /nfs/dbraw/zinc/15/73/75/175157375.db2.gz YWKWHYBSCNMLRG-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC=C(C)CC2)c1 ZINC000271898947 175157377 /nfs/dbraw/zinc/15/73/77/175157377.db2.gz YWKWHYBSCNMLRG-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC=C(C)CC2)c1 ZINC000271898947 175157378 /nfs/dbraw/zinc/15/73/78/175157378.db2.gz YWKWHYBSCNMLRG-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000132232346 175157573 /nfs/dbraw/zinc/15/75/73/175157573.db2.gz PHYQBIJYAFEUBR-LLVKDONJSA-N 0 3 237.343 2.877 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000132232346 175157574 /nfs/dbraw/zinc/15/75/74/175157574.db2.gz PHYQBIJYAFEUBR-LLVKDONJSA-N 0 3 237.343 2.877 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)C2CCCC2)c1 ZINC000131524239 175158146 /nfs/dbraw/zinc/15/81/46/175158146.db2.gz FCCPAIRNSSNYAV-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)C2CCCC2)c1 ZINC000131524239 175158147 /nfs/dbraw/zinc/15/81/47/175158147.db2.gz FCCPAIRNSSNYAV-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000037260498 175158567 /nfs/dbraw/zinc/15/85/67/175158567.db2.gz JTTRQUPITMQUKI-NSHDSACASA-N 0 3 237.343 2.925 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045628944 175158576 /nfs/dbraw/zinc/15/85/76/175158576.db2.gz QWAYJUMZTJDUQQ-LBPRGKRZSA-N 0 3 247.338 2.847 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CCCC(C)C)c1 ZINC000038093541 175158997 /nfs/dbraw/zinc/15/89/97/175158997.db2.gz FRZIRCCUVCTALZ-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN COc1ccc(O)c(CNCc2occc2C)c1 ZINC000266229318 175159014 /nfs/dbraw/zinc/15/90/14/175159014.db2.gz UEDPEZFQMDFKPB-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC2CC2)c1 ZINC000088454491 175159982 /nfs/dbraw/zinc/15/99/82/175159982.db2.gz ZHBHRRWOTYOHNN-JTQLQIEISA-N 0 3 235.327 2.852 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC2(C)C)c1 ZINC000045115686 175160277 /nfs/dbraw/zinc/16/02/77/175160277.db2.gz JIHNBVHNFVQAIZ-NOZJJQNGSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CC(C)C2)c1 ZINC000168837926 175160481 /nfs/dbraw/zinc/16/04/81/175160481.db2.gz LRBRKBHTHRYFIX-YVNMAJEFSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc(C[N@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000132234495 175255268 /nfs/dbraw/zinc/25/52/68/175255268.db2.gz GHKOILAKQCDBRN-NSHDSACASA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cccc(C[N@@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000132234495 175255269 /nfs/dbraw/zinc/25/52/69/175255269.db2.gz GHKOILAKQCDBRN-NSHDSACASA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cccc(C[N@@H+]2CCCC2(C)C)c1[O-] ZINC000134207698 175257705 /nfs/dbraw/zinc/25/77/05/175257705.db2.gz JCLCHZVNZSNGPD-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1cccc(C[N@H+]2CCCC2(C)C)c1[O-] ZINC000134207698 175257707 /nfs/dbraw/zinc/25/77/07/175257707.db2.gz JCLCHZVNZSNGPD-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CSC1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000193366417 175452528 /nfs/dbraw/zinc/45/25/28/175452528.db2.gz OYNPMUUZAWPTHB-UHFFFAOYSA-N 0 3 241.331 2.517 20 10 BFCDHN C[C@@H](c1ccncc1)[N@H+](C)Cc1ccccc1[O-] ZINC000171937708 176034905 /nfs/dbraw/zinc/03/49/05/176034905.db2.gz OPRLWTFCBFSBGE-LBPRGKRZSA-N 0 3 242.322 2.980 20 10 BFCDHN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000171937708 176034906 /nfs/dbraw/zinc/03/49/06/176034906.db2.gz OPRLWTFCBFSBGE-LBPRGKRZSA-N 0 3 242.322 2.980 20 10 BFCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000161349622 176175488 /nfs/dbraw/zinc/17/54/88/176175488.db2.gz NUFCLMJECQZJCV-NEPJUHHUSA-N 0 3 219.328 2.870 20 10 BFCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000161349622 176175489 /nfs/dbraw/zinc/17/54/89/176175489.db2.gz NUFCLMJECQZJCV-NEPJUHHUSA-N 0 3 219.328 2.870 20 10 BFCDHN C[C@@H]1C[NH+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000226565411 176301416 /nfs/dbraw/zinc/30/14/16/176301416.db2.gz QEFGYKXZXRTJBJ-NXEZZACHSA-N 0 3 223.291 2.619 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529649117 324371410 /nfs/dbraw/zinc/37/14/10/324371410.db2.gz OPZMJWAQWPPARX-UHFFFAOYSA-N 0 3 243.306 2.660 20 10 BFCDHN Cc1cccc(CNCc2cccnc2C)c1O ZINC000529662644 324373805 /nfs/dbraw/zinc/37/38/05/324373805.db2.gz TUHZHXCFALYGCT-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1cccc(C[NH2+]Cc2cccnc2C)c1[O-] ZINC000529662644 324373808 /nfs/dbraw/zinc/37/38/08/324373808.db2.gz TUHZHXCFALYGCT-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000529670075 324376034 /nfs/dbraw/zinc/37/60/34/324376034.db2.gz QQAWESKVAHOFSH-NMKXLXIOSA-N 0 3 249.354 2.602 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H](O)CC)c1ccc(C)cc1[O-] ZINC000293815186 488017716 /nfs/dbraw/zinc/01/77/16/488017716.db2.gz VTDJLJCTLGNRRG-WCQYABFASA-N 0 3 237.343 2.512 20 10 BFCDHN COc1ccc(CN[C@H]2C=CCC2)cc1C ZINC000829348533 582856558 /nfs/dbraw/zinc/85/65/58/582856558.db2.gz UIZCGLCSSMUGJB-ZDUSSCGKSA-N 0 3 217.312 2.812 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@H]2CC=CCC2)c1[O-] ZINC000894285198 583410807 /nfs/dbraw/zinc/41/08/07/583410807.db2.gz RNGQJZCKTVBPDV-ZDUSSCGKSA-N 0 3 247.338 2.908 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C2(C)CCC2)c1[O-] ZINC000894412573 583453122 /nfs/dbraw/zinc/45/31/22/583453122.db2.gz ORELILRLIFPJSV-UHFFFAOYSA-N 0 3 235.327 2.741 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C2(C(C)C)CC2)c1[O-] ZINC000894860309 583533463 /nfs/dbraw/zinc/53/34/63/583533463.db2.gz KJSVQUBXSBHKQY-UHFFFAOYSA-N 0 3 249.354 2.987 20 10 BFCDHN C=C/C=C\CC[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000895541578 583688313 /nfs/dbraw/zinc/68/83/13/583688313.db2.gz OJQPSFYBZUBFOJ-WAYWQWQTSA-N 0 3 247.338 2.931 20 10 BFCDHN COc1ccc(CN[C@@H](C)c2ccccc2O)o1 ZINC000895852159 583737179 /nfs/dbraw/zinc/73/71/79/583737179.db2.gz QDMHKLVJNJFNCA-JTQLQIEISA-N 0 3 247.294 2.845 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1 ZINC000896403103 583800002 /nfs/dbraw/zinc/80/00/02/583800002.db2.gz BEJNWJKKOZCFFN-WBMYTEFPSA-N 0 3 247.338 2.535 20 10 BFCDHN CC[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858087088 588930923 /nfs/dbraw/zinc/93/09/23/588930923.db2.gz SQKJNTHIDDXPIT-VIFPVBQESA-N 0 3 242.313 2.919 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(C)CCCCO1 ZINC000896924966 583857522 /nfs/dbraw/zinc/85/75/22/583857522.db2.gz VOWUNYOAIVMCCA-HNNXBMFYSA-N 0 3 249.354 2.749 20 10 BFCDHN C[C@]1(C[NH2+]Cc2ccccc2[O-])C[C@H]2C[C@H]2C1 ZINC000858291189 588942402 /nfs/dbraw/zinc/94/24/02/588942402.db2.gz PYLONTQVPVBGIE-NHAGDIPZSA-N 0 3 231.339 2.918 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1[O-] ZINC000897955337 584065155 /nfs/dbraw/zinc/06/51/55/584065155.db2.gz SLAYDKJVISNEQZ-FPMFFAJLSA-N 0 3 231.339 2.979 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160754 584088424 /nfs/dbraw/zinc/08/84/24/584088424.db2.gz SBMSQPIZFLFJPZ-UHFFFAOYSA-N 0 3 243.306 2.660 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccccc1[O-] ZINC000898197906 584097579 /nfs/dbraw/zinc/09/75/79/584097579.db2.gz KQQAIAVEAUUPGA-KGLIPLIRSA-N 0 3 249.354 2.594 20 10 BFCDHN COc1ccc(CNC/C=C/Cl)cc1C ZINC000898435596 584135900 /nfs/dbraw/zinc/13/59/00/584135900.db2.gz JQFMLYDQAWMROB-ZZXKWVIFSA-N 0 3 225.719 2.846 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000858584276 588969088 /nfs/dbraw/zinc/96/90/88/588969088.db2.gz OVJXEGMEIXSEFP-AVGNSLFASA-N 0 3 249.354 2.837 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC000876769669 584886842 /nfs/dbraw/zinc/88/68/42/584886842.db2.gz XHVHPNRTZNJGDS-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC000876769669 584886843 /nfs/dbraw/zinc/88/68/43/584886843.db2.gz XHVHPNRTZNJGDS-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)c([O-])c1 ZINC000877025421 584888913 /nfs/dbraw/zinc/88/89/13/584888913.db2.gz KFVDYQMNFWTQOS-AAEUAGOBSA-N 0 3 219.328 2.979 20 10 BFCDHN CCO[C@H](C[N@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000859188793 589016370 /nfs/dbraw/zinc/01/63/70/589016370.db2.gz CXFFZTIHMYBJFW-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN CCO[C@H](C[N@@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000859188793 589016372 /nfs/dbraw/zinc/01/63/72/589016372.db2.gz CXFFZTIHMYBJFW-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN Cc1cccc(CN(C)Cc2ccccc2O)n1 ZINC000736309616 584997090 /nfs/dbraw/zinc/99/70/90/584997090.db2.gz CTXPDVJLPKSOTQ-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN C[C@H](Cc1ccncc1)[NH2+]Cc1ccccc1[O-] ZINC000749296003 585201157 /nfs/dbraw/zinc/20/11/57/585201157.db2.gz NDGOXOINJMTBRK-GFCCVEGCSA-N 0 3 242.322 2.508 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)CC2CC2)c1 ZINC000756769932 585322921 /nfs/dbraw/zinc/32/29/21/585322921.db2.gz PXKYEAXVNGPHIU-YPMHNXCESA-N 0 3 249.354 2.512 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)C1CCCC1 ZINC000768215099 585534056 /nfs/dbraw/zinc/53/40/56/585534056.db2.gz ZBKOKNXARNBUHB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)C1CCCC1 ZINC000768215099 585534057 /nfs/dbraw/zinc/53/40/57/585534057.db2.gz ZBKOKNXARNBUHB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1C2CCC1CC2 ZINC000768230201 585534312 /nfs/dbraw/zinc/53/43/12/585534312.db2.gz SFMPNPYMUPUHCK-UHFFFAOYSA-N 0 3 233.311 2.528 20 10 BFCDHN CCC[N@H+](Cc1c([O-])cccc1OC)C1CC1 ZINC000768292291 585535440 /nfs/dbraw/zinc/53/54/40/585535440.db2.gz YRRJUXLGGFCABU-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCC[N@@H+](Cc1c([O-])cccc1OC)C1CC1 ZINC000768292291 585535441 /nfs/dbraw/zinc/53/54/41/585535441.db2.gz YRRJUXLGGFCABU-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CC(C)N(CCF)Cc1ccc(N(C)C)cc1 ZINC000771796346 585600161 /nfs/dbraw/zinc/60/01/61/585600161.db2.gz OHNIFCLECNCOKD-UHFFFAOYSA-N 0 3 238.350 2.933 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1[O-] ZINC000775527602 585678888 /nfs/dbraw/zinc/67/88/88/585678888.db2.gz RSXLAHDXXMMYTC-KGLIPLIRSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccccc1[O-] ZINC000775523826 585679060 /nfs/dbraw/zinc/67/90/60/585679060.db2.gz NYBSXFSOFCBRDT-TZMCWYRMSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1occc1CNCc1cccc(C)c1O ZINC000776039381 585689492 /nfs/dbraw/zinc/68/94/92/585689492.db2.gz SXALHXLRMMCSRN-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000776157062 585691411 /nfs/dbraw/zinc/69/14/11/585691411.db2.gz PCRGHRILBGEXRQ-LERXQTSPSA-N 0 3 249.354 2.541 20 10 BFCDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000776255794 585693923 /nfs/dbraw/zinc/69/39/23/585693923.db2.gz IFJLRZVSZPBIKN-OCCSQVGLSA-N 0 3 249.354 2.605 20 10 BFCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])C(C)(C)CO1 ZINC000779019043 585743995 /nfs/dbraw/zinc/74/39/95/585743995.db2.gz CUNFNZBNANYNAE-UHFFFAOYSA-N 0 3 249.354 2.782 20 10 BFCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])C(C)(C)CO1 ZINC000779019043 585743996 /nfs/dbraw/zinc/74/39/96/585743996.db2.gz CUNFNZBNANYNAE-UHFFFAOYSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1ccc(O)c(CN2CC[C@@H](C)[C@H](F)C2)c1 ZINC000779148103 585745896 /nfs/dbraw/zinc/74/58/96/585745896.db2.gz GHAJSDFXIGVVSA-DGCLKSJQSA-N 0 3 237.318 2.881 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC=CO2)cc1C ZINC000780570112 585781654 /nfs/dbraw/zinc/78/16/54/585781654.db2.gz JCCUCFBLUJXULT-AWEZNQCLSA-N 0 3 247.338 2.791 20 10 BFCDHN CCOc1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000793219790 586014471 /nfs/dbraw/zinc/01/44/71/586014471.db2.gz DISQECZJMDXXIP-QWRGUYRKSA-N 0 3 235.327 2.774 20 10 BFCDHN C[C@H]1C[C@H](C)N1Cc1ccc(N(C)C)c(F)c1 ZINC000793228864 586014681 /nfs/dbraw/zinc/01/46/81/586014681.db2.gz SZLSQYHHJZILIG-QWRGUYRKSA-N 0 3 236.334 2.874 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000793346729 586017105 /nfs/dbraw/zinc/01/71/05/586017105.db2.gz JNLAGKOWBJOAHH-VXGBXAGGSA-N 0 3 249.354 2.927 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)COC)c1ccc(C)cc1[O-] ZINC000794794361 586049078 /nfs/dbraw/zinc/04/90/78/586049078.db2.gz MJTLFXPLFVPWHF-WCQYABFASA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)COC)c1ccc(C)cc1[O-] ZINC000794794362 586049138 /nfs/dbraw/zinc/04/91/38/586049138.db2.gz MJTLFXPLFVPWHF-YPMHNXCESA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794819880 586049241 /nfs/dbraw/zinc/04/92/41/586049241.db2.gz YEVYGFFBSVYFBE-AAEUAGOBSA-N 0 3 235.327 2.530 20 10 BFCDHN CC1=C[C@H](C)C[N@H+](Cc2ccccc2[O-])C1 ZINC000797606006 586129326 /nfs/dbraw/zinc/12/93/26/586129326.db2.gz XIAJOUADIKHXKY-NSHDSACASA-N 0 3 217.312 2.790 20 10 BFCDHN CC1=C[C@H](C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000797606006 586129327 /nfs/dbraw/zinc/12/93/27/586129327.db2.gz XIAJOUADIKHXKY-NSHDSACASA-N 0 3 217.312 2.790 20 10 BFCDHN CC1=C[C@H](C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000797604509 586129548 /nfs/dbraw/zinc/12/95/48/586129548.db2.gz HBBFMOUTDSXSAS-JTQLQIEISA-N 0 3 235.302 2.929 20 10 BFCDHN CC1=C[C@H](C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000797604509 586129549 /nfs/dbraw/zinc/12/95/49/586129549.db2.gz HBBFMOUTDSXSAS-JTQLQIEISA-N 0 3 235.302 2.929 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c([O-])c1 ZINC000797904882 586133892 /nfs/dbraw/zinc/13/38/92/586133892.db2.gz DHPRDMFBLYOTFD-KBPBESRZSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000798090033 586136637 /nfs/dbraw/zinc/13/66/37/586136637.db2.gz AHRDTOHLXQFIQJ-KGLIPLIRSA-N 0 3 247.338 2.679 20 10 BFCDHN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000799740299 586195273 /nfs/dbraw/zinc/19/52/73/586195273.db2.gz YMJPWJOPMWXUOO-KBPBESRZSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCCOC2)cc1C ZINC000809693547 586513298 /nfs/dbraw/zinc/51/32/98/586513298.db2.gz XPEMBZBQUPXLPX-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCCOC2)cc1C ZINC000809693547 586513300 /nfs/dbraw/zinc/51/33/00/586513300.db2.gz XPEMBZBQUPXLPX-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]2CC)c([O-])c1 ZINC000814179068 586615777 /nfs/dbraw/zinc/61/57/77/586615777.db2.gz OVSPHPMGCXRPIU-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@H]2CC)c([O-])c1 ZINC000814179068 586615778 /nfs/dbraw/zinc/61/57/78/586615778.db2.gz OVSPHPMGCXRPIU-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CC[C@H](C)F)c1 ZINC000815149289 586670311 /nfs/dbraw/zinc/67/03/11/586670311.db2.gz HMQGMGXONJUNMR-JTQLQIEISA-N 0 3 241.306 2.629 20 10 BFCDHN Cc1cc(CN2C[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815162794 586671218 /nfs/dbraw/zinc/67/12/18/586671218.db2.gz JHZRLCJZOFWLFH-OLZOCXBDSA-N 0 3 232.371 2.901 20 10 BFCDHN Cc1cccc(C[N@H+]2C[C@H](C)[C@@H]2C)c1[O-] ZINC000816649627 586752834 /nfs/dbraw/zinc/75/28/34/586752834.db2.gz FMVLIPWAODQNNQ-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1[O-] ZINC000816649627 586752835 /nfs/dbraw/zinc/75/28/35/586752835.db2.gz FMVLIPWAODQNNQ-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817963236 586852749 /nfs/dbraw/zinc/85/27/49/586852749.db2.gz PYCVBDJZGPRLGD-RYUDHWBXSA-N 0 3 236.359 2.560 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1ccccc1[O-] ZINC000817972305 586858834 /nfs/dbraw/zinc/85/88/34/586858834.db2.gz VYSDCEHTXKMPKL-OBJOEFQTSA-N 0 3 248.370 2.573 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c([O-])c1 ZINC000818614764 586906920 /nfs/dbraw/zinc/90/69/20/586906920.db2.gz GBZBHDMQCVKITG-IACUBPJLSA-N 0 3 248.370 2.621 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccccc1[O-] ZINC000818615948 586907439 /nfs/dbraw/zinc/90/74/39/586907439.db2.gz RULNHDIUKCSCPN-MGPQQGTHSA-N 0 3 248.370 2.703 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000824650131 587280920 /nfs/dbraw/zinc/28/09/20/587280920.db2.gz JJNHURXPBZXOKH-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000824650131 587280922 /nfs/dbraw/zinc/28/09/22/587280922.db2.gz JJNHURXPBZXOKH-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000824650711 587280949 /nfs/dbraw/zinc/28/09/49/587280949.db2.gz PIEMSJCRUFGBPO-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000824650711 587280951 /nfs/dbraw/zinc/28/09/51/587280951.db2.gz PIEMSJCRUFGBPO-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000840819538 587923336 /nfs/dbraw/zinc/92/33/36/587923336.db2.gz AVOKRSYXMPOCFQ-LNSITVRQSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000840968715 587932362 /nfs/dbraw/zinc/93/23/62/587932362.db2.gz UGRXOQOLDYARSY-ONGXEEELSA-N 0 3 241.281 2.834 20 10 BFCDHN CO[C@@H](C[NH2+]Cc1ccccc1[O-])CC(C)C ZINC000841887947 587981522 /nfs/dbraw/zinc/98/15/22/587981522.db2.gz ASZMMVCRZMXAHQ-CYBMUJFWSA-N 0 3 237.343 2.543 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000842928960 588071798 /nfs/dbraw/zinc/07/17/98/588071798.db2.gz LCUROSAFESZGJK-RWMBFGLXSA-N 0 3 249.354 2.837 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]CC(C)C)c1[O-] ZINC000846138883 588258532 /nfs/dbraw/zinc/25/85/32/588258532.db2.gz WDIQAXASEGFAEI-JTQLQIEISA-N 0 3 223.316 2.707 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1[O-] ZINC000846144125 588258550 /nfs/dbraw/zinc/25/85/50/588258550.db2.gz KZQYXOZQEIJTSN-GARJFASQSA-N 0 3 235.327 2.707 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]CC2(C)CC2)c1[O-] ZINC000846156212 588258887 /nfs/dbraw/zinc/25/88/87/588258887.db2.gz ZUDPQYDQZASREL-JTQLQIEISA-N 0 3 235.327 2.852 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@H]2CC2(C)C)c1[O-] ZINC000846168553 588259043 /nfs/dbraw/zinc/25/90/43/588259043.db2.gz KEKRLBUMTZZGIW-SKDRFNHKSA-N 0 3 235.327 2.850 20 10 BFCDHN CCc1cccc(C[N@H+](C)C2CC2)c1[O-] ZINC000848881111 588415893 /nfs/dbraw/zinc/41/58/93/588415893.db2.gz KYUWFCDANZSUQA-UHFFFAOYSA-N 0 3 205.301 2.549 20 10 BFCDHN CCc1cccc(C[N@@H+](C)C2CC2)c1[O-] ZINC000848881111 588415895 /nfs/dbraw/zinc/41/58/95/588415895.db2.gz KYUWFCDANZSUQA-UHFFFAOYSA-N 0 3 205.301 2.549 20 10 BFCDHN COC1CC(CC[NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000850342424 588537620 /nfs/dbraw/zinc/53/76/20/588537620.db2.gz SENDSLXMJOPDGO-UHFFFAOYSA-N 0 3 249.354 2.605 20 10 BFCDHN CN(C)c1ccc(CN[C@@H]2C=CCC2)cc1F ZINC000850358897 588539642 /nfs/dbraw/zinc/53/96/42/588539642.db2.gz NRYLUDIJDUXQOM-GFCCVEGCSA-N 0 3 234.318 2.700 20 10 BFCDHN COC1CC(CC[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000850483555 588551691 /nfs/dbraw/zinc/55/16/91/588551691.db2.gz ZYHOJKRWBBOEAF-HIFPTAJRSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000850571362 588561262 /nfs/dbraw/zinc/56/12/62/588561262.db2.gz PWHNEQRCGQIPGN-KYOSRNDESA-N 0 3 249.354 2.837 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473497 589216594 /nfs/dbraw/zinc/21/65/94/589216594.db2.gz SMQJPSSGLNIPHO-OLZOCXBDSA-N 0 3 249.379 2.862 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473497 589216596 /nfs/dbraw/zinc/21/65/96/589216596.db2.gz SMQJPSSGLNIPHO-OLZOCXBDSA-N 0 3 249.379 2.862 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1C ZINC000865690284 589456087 /nfs/dbraw/zinc/45/60/87/589456087.db2.gz DUNGLZUPYOFAQE-SGMGOOAPSA-N 0 3 249.354 2.665 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1C ZINC000865690283 589456184 /nfs/dbraw/zinc/45/61/84/589456184.db2.gz DUNGLZUPYOFAQE-OUCADQQQSA-N 0 3 249.354 2.665 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C)cc1[O-] ZINC000866416570 589491915 /nfs/dbraw/zinc/49/19/15/589491915.db2.gz XZJMEWCVSNXQGE-MBNYWOFBSA-N 0 3 249.354 2.512 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCCC1CC1 ZINC000124961524 590106562 /nfs/dbraw/zinc/10/65/62/590106562.db2.gz HDCPIRWPLZKWND-UHFFFAOYSA-N 0 3 205.301 2.672 20 10 BFCDHN Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)c([O-])c1 ZINC000876589306 590216729 /nfs/dbraw/zinc/21/67/29/590216729.db2.gz JRLIAXVKQQSWGT-LLVKDONJSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+](C)[C@H](C)C2CC2)c([O-])c1 ZINC000876589306 590216731 /nfs/dbraw/zinc/21/67/31/590216731.db2.gz JRLIAXVKQQSWGT-LLVKDONJSA-N 0 3 219.328 2.931 20 10 BFCDHN CC[C@H](C)[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876581619 590218883 /nfs/dbraw/zinc/21/88/83/590218883.db2.gz AIJFRURRNBXFKQ-NSHDSACASA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@H](C)[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876581619 590218884 /nfs/dbraw/zinc/21/88/84/590218884.db2.gz AIJFRURRNBXFKQ-NSHDSACASA-N 0 3 207.317 2.931 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@@H]1CCOC1 ZINC000876596457 590219691 /nfs/dbraw/zinc/21/96/91/590219691.db2.gz QDDPVCSNTXFRJQ-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C[C@@H]1CCOC1 ZINC000876596457 590219693 /nfs/dbraw/zinc/21/96/93/590219693.db2.gz QDDPVCSNTXFRJQ-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H](C)C2)c([O-])c1 ZINC000876636259 590222204 /nfs/dbraw/zinc/22/22/04/590222204.db2.gz DDZBFBBGHHNECK-NSHDSACASA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)C2)c([O-])c1 ZINC000876636259 590222206 /nfs/dbraw/zinc/22/22/06/590222206.db2.gz DDZBFBBGHHNECK-NSHDSACASA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc(C[N@H+](C)C[C@H]2CCCCO2)c([O-])c1 ZINC000876634430 590224095 /nfs/dbraw/zinc/22/40/95/590224095.db2.gz REVBAGAIIMNJTD-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c([O-])c1 ZINC000876634430 590224096 /nfs/dbraw/zinc/22/40/96/590224096.db2.gz REVBAGAIIMNJTD-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccoc2)c(O)c1 ZINC000876632633 590224517 /nfs/dbraw/zinc/22/45/17/590224517.db2.gz LZIAVUMSXDQDDI-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN CC[C@@H]1CN(Cc2ccc(C)cc2O)C[C@H](C)O1 ZINC000876638633 590225062 /nfs/dbraw/zinc/22/50/62/590225062.db2.gz DHJPULZRIBUQIT-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])CC1CC1 ZINC000876731263 590234111 /nfs/dbraw/zinc/23/41/11/590234111.db2.gz GVVLWLGABDCRDJ-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])CC1CC1 ZINC000876731263 590234113 /nfs/dbraw/zinc/23/41/13/590234113.db2.gz GVVLWLGABDCRDJ-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@H+]2CC=C(C)CC2)c([O-])c1 ZINC000876751056 590238142 /nfs/dbraw/zinc/23/81/42/590238142.db2.gz SWHFHWVTACSEOG-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC=C(C)CC2)c([O-])c1 ZINC000876751056 590238143 /nfs/dbraw/zinc/23/81/43/590238143.db2.gz SWHFHWVTACSEOG-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000876757063 590238680 /nfs/dbraw/zinc/23/86/80/590238680.db2.gz AXIYSRKYJXFBGT-NWDGAFQWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000876757063 590238681 /nfs/dbraw/zinc/23/86/81/590238681.db2.gz AXIYSRKYJXFBGT-NWDGAFQWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000876783253 590240121 /nfs/dbraw/zinc/24/01/21/590240121.db2.gz XUJXDEYIZXDDHN-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000876783253 590240122 /nfs/dbraw/zinc/24/01/22/590240122.db2.gz XUJXDEYIZXDDHN-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c([O-])c1 ZINC000876779626 590240139 /nfs/dbraw/zinc/24/01/39/590240139.db2.gz ALQPSHNDQFUQBK-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c([O-])c1 ZINC000876779626 590240140 /nfs/dbraw/zinc/24/01/40/590240140.db2.gz ALQPSHNDQFUQBK-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN CCOC[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876789228 590241403 /nfs/dbraw/zinc/24/14/03/590241403.db2.gz YDPVGQVSUQZZNK-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876789228 590241405 /nfs/dbraw/zinc/24/14/05/590241405.db2.gz YDPVGQVSUQZZNK-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876807116 590245066 /nfs/dbraw/zinc/24/50/66/590245066.db2.gz YVGRSSVJFHEHKI-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876807116 590245067 /nfs/dbraw/zinc/24/50/67/590245067.db2.gz YVGRSSVJFHEHKI-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC(C)C ZINC000876887111 590254420 /nfs/dbraw/zinc/25/44/20/590254420.db2.gz KQCBXKXCHOCIET-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1CCCC1 ZINC000876915916 590256817 /nfs/dbraw/zinc/25/68/17/590256817.db2.gz DUVCGQYFZFWNKG-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2ccc(C)nc2)c([O-])c1 ZINC000876939567 590259400 /nfs/dbraw/zinc/25/94/00/590259400.db2.gz HVUOEONNLYFVOY-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)C1CC1 ZINC000876967076 590262361 /nfs/dbraw/zinc/26/23/61/590262361.db2.gz BJXMXADSAROHTK-NSHDSACASA-N 0 3 219.328 2.836 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H](C)C2CC2)c([O-])c1 ZINC000876967043 590262626 /nfs/dbraw/zinc/26/26/26/590262626.db2.gz AYDAPYMMJJVAGF-NSHDSACASA-N 0 3 219.328 2.836 20 10 BFCDHN Cc1ncsc1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877015190 590269287 /nfs/dbraw/zinc/26/92/87/590269287.db2.gz HISQWRPORIKBPZ-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCCC1CC1 ZINC000877050703 590274872 /nfs/dbraw/zinc/27/48/72/590274872.db2.gz NNFPGWNNDALYMO-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1(C)CC1 ZINC000877074205 590278268 /nfs/dbraw/zinc/27/82/68/590278268.db2.gz BYBATUIXFICTQP-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])C1(C)C ZINC000877075411 590278576 /nfs/dbraw/zinc/27/85/76/590278576.db2.gz BIPZNWJMLOTWEY-KBPBESRZSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1(C)CCC1 ZINC000877079085 590279490 /nfs/dbraw/zinc/27/94/90/590279490.db2.gz PUUUYRRXJNIBKL-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN CS[C@@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877112675 590287449 /nfs/dbraw/zinc/28/74/49/590287449.db2.gz SRIFWKDOTPVAAL-JTQLQIEISA-N 0 3 225.357 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCCSCC1 ZINC000877170431 590296083 /nfs/dbraw/zinc/29/60/83/590296083.db2.gz NTYGRHJOJLIENC-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCCSCC1 ZINC000877170431 590296085 /nfs/dbraw/zinc/29/60/85/590296085.db2.gz NTYGRHJOJLIENC-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000877182809 590298117 /nfs/dbraw/zinc/29/81/17/590298117.db2.gz SKOVVJXWUBNNLE-GXTWGEPZSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])CC1 ZINC000877197962 590300148 /nfs/dbraw/zinc/30/01/48/590300148.db2.gz ZPDGQBXMYPSEHW-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])CC1 ZINC000877197962 590300150 /nfs/dbraw/zinc/30/01/50/590300150.db2.gz ZPDGQBXMYPSEHW-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@]1(C)COCCN1Cc1ccc(C)cc1O ZINC000877407172 590324119 /nfs/dbraw/zinc/32/41/19/590324119.db2.gz NGROSLHCJVDKFS-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000877439837 590327928 /nfs/dbraw/zinc/32/79/28/590327928.db2.gz VKBOPODXXVTGLW-GFCCVEGCSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c(O)c1 ZINC000877462190 590332568 /nfs/dbraw/zinc/33/25/68/590332568.db2.gz LSXDDGWYKNXQPJ-YNEHKIRRSA-N 0 3 249.354 2.698 20 10 BFCDHN CO[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC[C@H]1C ZINC000877465589 590333786 /nfs/dbraw/zinc/33/37/86/590333786.db2.gz YEAJBDAAJSILPR-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC[C@H]1C ZINC000877465589 590333788 /nfs/dbraw/zinc/33/37/88/590333788.db2.gz YEAJBDAAJSILPR-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC[C@@H]1C ZINC000877465602 590333900 /nfs/dbraw/zinc/33/39/00/590333900.db2.gz YEAJBDAAJSILPR-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC[C@@H]1C ZINC000877465602 590333903 /nfs/dbraw/zinc/33/39/03/590333903.db2.gz YEAJBDAAJSILPR-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(C[NH+]2CCC(F)(F)CC2)c([O-])c1 ZINC000877492916 590339919 /nfs/dbraw/zinc/33/99/19/590339919.db2.gz XGRVBDXGMDXQGT-UHFFFAOYSA-N 0 3 241.281 2.932 20 10 BFCDHN CC[C@H]1C[N@H+](Cc2c(C)cccc2[O-])CCCO1 ZINC000877501867 590341196 /nfs/dbraw/zinc/34/11/96/590341196.db2.gz UMBMTLIPCOUROX-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])CCCO1 ZINC000877501867 590341198 /nfs/dbraw/zinc/34/11/98/590341198.db2.gz UMBMTLIPCOUROX-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])CCCO1 ZINC000877501522 590341384 /nfs/dbraw/zinc/34/13/84/590341384.db2.gz PWJHNNRAVXFLQX-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CCCO1 ZINC000877501522 590341387 /nfs/dbraw/zinc/34/13/87/590341387.db2.gz PWJHNNRAVXFLQX-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CSC1(C)C ZINC000877504096 590342650 /nfs/dbraw/zinc/34/26/50/590342650.db2.gz GJLAIRKDQSRVEA-LBPRGKRZSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC1(C)C ZINC000877521665 590345784 /nfs/dbraw/zinc/34/57/84/590345784.db2.gz GRFUVLYKSBOWMY-ZDUSSCGKSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C)c([O-])c1 ZINC000877524498 590346459 /nfs/dbraw/zinc/34/64/59/590346459.db2.gz XPCTYIQWSKKIMO-ZYHUDNBSSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)c([O-])c1 ZINC000877524495 590347078 /nfs/dbraw/zinc/34/70/78/590347078.db2.gz XPCTYIQWSKKIMO-CMPLNLGQSA-N 0 3 205.301 2.589 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C[C@H](C)OC ZINC000877543779 590351658 /nfs/dbraw/zinc/35/16/58/590351658.db2.gz LUOWVMKTXLRQTN-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C[C@H](C)OC ZINC000877543779 590351660 /nfs/dbraw/zinc/35/16/60/590351660.db2.gz LUOWVMKTXLRQTN-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1ccc(C[NH2+]CCC(C)(F)F)c([O-])c1 ZINC000877557091 590357345 /nfs/dbraw/zinc/35/73/45/590357345.db2.gz FXRDLYXTZSOZFQ-UHFFFAOYSA-N 0 3 229.270 2.836 20 10 BFCDHN CS[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877562938 590359424 /nfs/dbraw/zinc/35/94/24/590359424.db2.gz FEONRQVCGPEFNE-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877562938 590359425 /nfs/dbraw/zinc/35/94/25/590359425.db2.gz FEONRQVCGPEFNE-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)c([O-])c1 ZINC000877562051 590359825 /nfs/dbraw/zinc/35/98/25/590359825.db2.gz OBYXDNWCXZOVSX-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H]2C2CC2)c([O-])c1 ZINC000877562051 590359827 /nfs/dbraw/zinc/35/98/27/590359827.db2.gz OBYXDNWCXZOVSX-CYBMUJFWSA-N 0 3 217.312 2.685 20 10 BFCDHN CS[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877564046 590360633 /nfs/dbraw/zinc/36/06/33/590360633.db2.gz WQZUNWVTCXVXEW-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877564046 590360635 /nfs/dbraw/zinc/36/06/35/590360635.db2.gz WQZUNWVTCXVXEW-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000877589514 590369045 /nfs/dbraw/zinc/36/90/45/590369045.db2.gz PNJSUSLPYZIEAQ-AVGNSLFASA-N 0 3 249.354 2.604 20 10 BFCDHN COCCCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000877594034 590369227 /nfs/dbraw/zinc/36/92/27/590369227.db2.gz NEHBTBNXBNKAHI-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN COCCCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000877594034 590369230 /nfs/dbraw/zinc/36/92/30/590369230.db2.gz NEHBTBNXBNKAHI-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CC[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877596665 590369656 /nfs/dbraw/zinc/36/96/56/590369656.db2.gz VVLDFRKMEQIEGM-STQMWFEESA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@H]1CN(Cc2ccc(C)cc2O)[C@@H](C)CO1 ZINC000877611163 590372919 /nfs/dbraw/zinc/37/29/19/590372919.db2.gz XJTXUZCUTVFXOQ-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc(O)c1CN1CCC[C@H](F)C1 ZINC000877616095 590374453 /nfs/dbraw/zinc/37/44/53/590374453.db2.gz CXDDNFNSDUIWCH-NSHDSACASA-N 0 3 223.291 2.635 20 10 BFCDHN Cc1cccc(O)c1CN1CCC[C@@H](F)C1 ZINC000877616094 590374566 /nfs/dbraw/zinc/37/45/66/590374566.db2.gz CXDDNFNSDUIWCH-LLVKDONJSA-N 0 3 223.291 2.635 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@]2(C)CC2(F)F)c([O-])c1 ZINC000877629911 590377564 /nfs/dbraw/zinc/37/75/64/590377564.db2.gz CHIFTEBIPYQOBF-LBPRGKRZSA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c([O-])c1 ZINC000877630856 590377805 /nfs/dbraw/zinc/37/78/05/590377805.db2.gz OAEPWVOXOJMHST-JSGCOSHPSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000877636272 590381123 /nfs/dbraw/zinc/38/11/23/590381123.db2.gz RMDNNIXFLVNERY-VXGBXAGGSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000877636272 590381125 /nfs/dbraw/zinc/38/11/25/590381125.db2.gz RMDNNIXFLVNERY-VXGBXAGGSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1CC=CC1 ZINC000877651252 590385343 /nfs/dbraw/zinc/38/53/43/590385343.db2.gz UUNHCBMADDEMAO-UHFFFAOYSA-N 0 3 217.312 2.756 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]Cc1cccnc1C ZINC000877656024 590385833 /nfs/dbraw/zinc/38/58/33/590385833.db2.gz TYIBRJMJDATDIP-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1cc(N(C)C)ccc1CNCC(C)(C)F ZINC000877663501 590387580 /nfs/dbraw/zinc/38/75/80/590387580.db2.gz SDWLBIWBOFMOFU-UHFFFAOYSA-N 0 3 238.350 2.899 20 10 BFCDHN CC[C@H](C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877702572 590395565 /nfs/dbraw/zinc/39/55/65/590395565.db2.gz BWTSVIXSXAFQQP-JTQLQIEISA-N 0 3 205.301 2.754 20 10 BFCDHN CC[C@H](C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877702572 590395567 /nfs/dbraw/zinc/39/55/67/590395567.db2.gz BWTSVIXSXAFQQP-JTQLQIEISA-N 0 3 205.301 2.754 20 10 BFCDHN CC[C@@H](C)[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703161 590396553 /nfs/dbraw/zinc/39/65/53/590396553.db2.gz UGIBWTHRTLIYAD-IAQYHMDHSA-N 0 3 249.354 2.769 20 10 BFCDHN CC[C@@H](C)[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703161 590396555 /nfs/dbraw/zinc/39/65/55/590396555.db2.gz UGIBWTHRTLIYAD-IAQYHMDHSA-N 0 3 249.354 2.769 20 10 BFCDHN COC(C)(C)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877706187 590397044 /nfs/dbraw/zinc/39/70/44/590397044.db2.gz HSFBYAKSMILNQQ-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1cccc(C[NH+]2CC(C)(C)C2)c1[O-] ZINC000877717308 590400172 /nfs/dbraw/zinc/40/01/72/590400172.db2.gz HINBVGVUZPCMPZ-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877719280 590400395 /nfs/dbraw/zinc/40/03/95/590400395.db2.gz SZGVRORZRLWNOD-TXEJJXNPSA-N 0 3 247.313 2.929 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877719280 590400396 /nfs/dbraw/zinc/40/03/96/590400396.db2.gz SZGVRORZRLWNOD-TXEJJXNPSA-N 0 3 247.313 2.929 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1[O-] ZINC000877755978 590417662 /nfs/dbraw/zinc/41/76/62/590417662.db2.gz WHEFOXZDZUZPMX-FOGDFJRCSA-N 0 3 205.301 2.841 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1[O-] ZINC000877755693 590417848 /nfs/dbraw/zinc/41/78/48/590417848.db2.gz LRWKRPJDOHIFBZ-XQQFMLRXSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000877756324 590418138 /nfs/dbraw/zinc/41/81/38/590418138.db2.gz HBQISUXOPIGBMH-YNEHKIRRSA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC000877755945 590418145 /nfs/dbraw/zinc/41/81/45/590418145.db2.gz UPKAOULDGYYTFF-WOPDTQHZSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1[O-] ZINC000877755979 590418162 /nfs/dbraw/zinc/41/81/62/590418162.db2.gz WHEFOXZDZUZPMX-HOSYDEDBSA-N 0 3 205.301 2.841 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1[O-] ZINC000877755980 590418282 /nfs/dbraw/zinc/41/82/82/590418282.db2.gz WHEFOXZDZUZPMX-UMNHJUIQSA-N 0 3 205.301 2.841 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccccc1[O-] ZINC000879648815 590841419 /nfs/dbraw/zinc/84/14/19/590841419.db2.gz ARPGIPQBGGCPJO-QJPTWQEYSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1oncc1CN[C@@H](C)c1ccccc1O ZINC000879650496 590843601 /nfs/dbraw/zinc/84/36/01/590843601.db2.gz DJYXODXIXASBHY-VIFPVBQESA-N 0 3 232.283 2.539 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000131147698 591559805 /nfs/dbraw/zinc/55/98/05/591559805.db2.gz ARBFLMKKEGKVHX-PWSUYJOCSA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1ccc(C[NH2+]C[C@@H]2C=CCC2)c([O-])c1 ZINC000883238421 591584131 /nfs/dbraw/zinc/58/41/31/591584131.db2.gz BMIBNGXQUGTJQA-GFCCVEGCSA-N 0 3 247.338 2.847 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000131816873 591665243 /nfs/dbraw/zinc/66/52/43/591665243.db2.gz FMUNDRGABDKELH-VXGBXAGGSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000131816443 591665897 /nfs/dbraw/zinc/66/58/97/591665897.db2.gz FMUNDRGABDKELH-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000131816443 591665900 /nfs/dbraw/zinc/66/59/00/591665900.db2.gz FMUNDRGABDKELH-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN CC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132510021 591715060 /nfs/dbraw/zinc/71/50/60/591715060.db2.gz LQISHDTYWKFDCM-LLVKDONJSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132510021 591715062 /nfs/dbraw/zinc/71/50/62/591715062.db2.gz LQISHDTYWKFDCM-LLVKDONJSA-N 0 3 207.317 2.931 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cncs1 ZINC000133138880 591768690 /nfs/dbraw/zinc/76/86/90/591768690.db2.gz DRDQSCBBDKGMEA-SECBINFHSA-N 0 3 234.324 2.700 20 10 BFCDHN COc1cccc(C[NH2+]C[C@H](C)C2CC2)c1[O-] ZINC000134229460 591903148 /nfs/dbraw/zinc/90/31/48/591903148.db2.gz VSODBUUDYVQVCP-JTQLQIEISA-N 0 3 235.327 2.537 20 10 BFCDHN Cc1ccc(O)c(C[NH2+]Cc2ccccc2[O-])c1 ZINC000134605095 591941976 /nfs/dbraw/zinc/94/19/76/591941976.db2.gz NNDMPAUESZDTNO-UHFFFAOYSA-N 0 3 243.306 2.696 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCF)c1 ZINC000134935695 591962408 /nfs/dbraw/zinc/96/24/08/591962408.db2.gz VHUQMRRSXMKKOW-JTQLQIEISA-N 0 3 211.280 2.711 20 10 BFCDHN C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccccc1[O-] ZINC000135063980 591980946 /nfs/dbraw/zinc/98/09/46/591980946.db2.gz ULEADZOQUOHMBO-GFCCVEGCSA-N 0 3 249.354 2.596 20 10 BFCDHN Cc1cccc(CN[C@H](C)c2ccccc2O)n1 ZINC000051574231 631811200 /nfs/dbraw/zinc/81/12/00/631811200.db2.gz ZFRLYWSAOCFMJL-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000051574231 631811203 /nfs/dbraw/zinc/81/12/03/631811203.db2.gz ZFRLYWSAOCFMJL-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN C[C@H](C1CC1)[N@H+](C)Cc1ccccc1[O-] ZINC000179558620 632744121 /nfs/dbraw/zinc/74/41/21/632744121.db2.gz SBXPFHNUEOZIOC-SNVBAGLBSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1[O-] ZINC000179558620 632744125 /nfs/dbraw/zinc/74/41/25/632744125.db2.gz SBXPFHNUEOZIOC-SNVBAGLBSA-N 0 3 205.301 2.623 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000051994292 632772190 /nfs/dbraw/zinc/77/21/90/632772190.db2.gz UYZJSJVUXLEGLI-BNOWGMLFSA-N 0 3 249.354 2.655 20 10 BFCDHN CC[C@@H]([NH2+]CC(C)(C)OC)c1ccccc1[O-] ZINC000158002048 632926895 /nfs/dbraw/zinc/92/68/95/632926895.db2.gz QMYLMMSSGOWSBR-GFCCVEGCSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1[O-] ZINC000229574574 632977042 /nfs/dbraw/zinc/97/70/42/632977042.db2.gz SIUGVDLFHRZYID-JSGCOSHPSA-N 0 3 249.354 2.860 20 10 BFCDHN COC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168824266 633151445 /nfs/dbraw/zinc/15/14/45/633151445.db2.gz AEHRRNLPGDMBLP-LLVKDONJSA-N 0 3 237.343 2.776 20 10 BFCDHN C[C@H]1C[C@@H]([NH2+]C2CC2)c2c1c(F)ccc2[O-] ZINC000309807653 633767326 /nfs/dbraw/zinc/76/73/26/633767326.db2.gz SPLAFBVWGGRNMN-OIBJUYFYSA-N 0 3 221.275 2.832 20 10 BFCDHN CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000309865760 634032629 /nfs/dbraw/zinc/03/26/29/634032629.db2.gz ONOGOZSJBCOHLR-IRUJWGPZSA-N 0 3 237.368 2.937 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c([O-])c1 ZINC000311116788 634222856 /nfs/dbraw/zinc/22/28/56/634222856.db2.gz SWUQNGIFHFTRLI-IAQYHMDHSA-N 0 3 249.354 2.512 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000798506087 636550494 /nfs/dbraw/zinc/55/04/94/636550494.db2.gz SAVHRRLQOXMMGT-RYUDHWBXSA-N 0 3 249.354 2.927 20 10 BFCDHN C[C@H]([NH2+]CCc1ccco1)c1ccccc1[O-] ZINC000035661725 639811106 /nfs/dbraw/zinc/81/11/06/639811106.db2.gz KWZYBAPLZXYNAP-NSHDSACASA-N 0 3 231.295 2.879 20 10 BFCDHN COC/C(C)=C\C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000931554037 640273927 /nfs/dbraw/zinc/27/39/27/640273927.db2.gz KHRWXMUILVBKDO-KGTBHZDVSA-N 0 3 235.327 2.636 20 10 BFCDHN CC[C@@H]1COCCN1Cc1cc(C)cc(C)c1O ZINC000164358350 640471488 /nfs/dbraw/zinc/47/14/88/640471488.db2.gz CJMMYGUVSDWHQD-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000877104482 640751550 /nfs/dbraw/zinc/75/15/50/640751550.db2.gz HERHJQPMSMKCLE-JTQLQIEISA-N 0 3 241.281 2.978 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000877104483 640752437 /nfs/dbraw/zinc/75/24/37/640752437.db2.gz HERHJQPMSMKCLE-SNVBAGLBSA-N 0 3 241.281 2.978 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CCC(F)(F)F ZINC000226612588 640779893 /nfs/dbraw/zinc/77/98/93/640779893.db2.gz XVYIJULYRXYUIV-UHFFFAOYSA-N 0 3 237.196 2.573 20 10 BFCDHN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000191634191 640814120 /nfs/dbraw/zinc/81/41/20/640814120.db2.gz KLIRFMQZHATSLT-QJPTWQEYSA-N 0 3 237.343 2.775 20 10 BFCDHN COC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168824453 640829389 /nfs/dbraw/zinc/82/93/89/640829389.db2.gz HDXUQDOBPVFKRD-VIFPVBQESA-N 0 3 241.306 2.607 20 10 BFCDHN C[C@H]([NH2+]CCC1CC1)c1cc(F)ccc1[O-] ZINC000087111431 640845768 /nfs/dbraw/zinc/84/57/68/640845768.db2.gz VIPRKFFLXUUESW-VIFPVBQESA-N 0 3 223.291 2.982 20 10 BFCDHN CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228793121 640895017 /nfs/dbraw/zinc/89/50/17/640895017.db2.gz LFBVPLSBHXFHHE-FZMZJTMJSA-N 0 3 237.343 2.594 20 10 BFCDHN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1(C)C ZINC000228795639 640895933 /nfs/dbraw/zinc/89/59/33/640895933.db2.gz JSQZWDXFEKFFIE-ZLKJLUDKSA-N 0 3 249.354 2.856 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000228803167 640896827 /nfs/dbraw/zinc/89/68/27/640896827.db2.gz DHGPQDPIVSYWDP-SRVKXCTJSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@]1(C[NH2+]Cc2ccccc2[O-])CCCS1 ZINC000087620342 640948566 /nfs/dbraw/zinc/94/85/66/640948566.db2.gz NYVJVNOWEBOQMX-CYBMUJFWSA-N 0 3 237.368 2.768 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCOCC1CCCC1 ZINC000313313784 641555503 /nfs/dbraw/zinc/55/55/03/641555503.db2.gz ZECZYHJFXVDMPB-UHFFFAOYSA-N 0 3 249.354 2.689 20 10 BFCDHN CC[C@H]1CN(Cc2cc(C)ccc2O)C[C@@H](C)O1 ZINC000245552656 642382627 /nfs/dbraw/zinc/38/26/27/642382627.db2.gz DLPMWKPUQPLWOE-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CSCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000068994007 642819313 /nfs/dbraw/zinc/81/93/13/642819313.db2.gz VNCNSDWBXBNDSF-SNVBAGLBSA-N 0 3 225.357 2.714 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCCC1 ZINC000083345791 643436737 /nfs/dbraw/zinc/43/67/37/643436737.db2.gz SYZAKPBHCYSYLY-UHFFFAOYSA-N 0 3 209.264 2.564 20 10 BFCDHN CCOC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000044690375 643548196 /nfs/dbraw/zinc/54/81/96/643548196.db2.gz FGPWPKODDWUSHY-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CCC(C(F)F)CC1 ZINC000307878066 643692870 /nfs/dbraw/zinc/69/28/70/643692870.db2.gz KOEIKPJGNXRPSK-UHFFFAOYSA-N 0 3 241.281 2.869 20 10 BFCDHN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186492682 643788214 /nfs/dbraw/zinc/78/82/14/643788214.db2.gz HMWMWTZIUMYRQG-QITAHTHBSA-N 0 3 249.354 2.678 20 10 BFCDHN CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000087012710 644456746 /nfs/dbraw/zinc/45/67/46/644456746.db2.gz XQXQRFWYWVUNFG-SMDDNHRTSA-N 0 3 237.343 2.512 20 10 BFCDHN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccccc1[O-] ZINC000783516342 644755748 /nfs/dbraw/zinc/75/57/48/644755748.db2.gz GXUCFPUCSTUWPM-QWHCGFSZSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@H](NCc1ccc(F)cn1)c1ccccc1O ZINC000783518906 644755786 /nfs/dbraw/zinc/75/57/86/644755786.db2.gz FCWUJIPUIHUMRP-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000251025350 644789367 /nfs/dbraw/zinc/78/93/67/644789367.db2.gz ZAEQRORRLYSODA-SGMGOOAPSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1cc(O)c(CN2C[C@H](C)OC[C@H]2C)cc1C ZINC000251072044 644791573 /nfs/dbraw/zinc/79/15/73/644791573.db2.gz MLISERKPYUDFGN-OLZOCXBDSA-N 0 3 249.354 2.618 20 10 BFCDHN CCC[C@@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000927021202 645521771 /nfs/dbraw/zinc/52/17/71/645521771.db2.gz MIEVZDFVTVUKHJ-OLZOCXBDSA-N 0 3 249.354 2.520 20 10 BFCDHN CCC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000716798838 712574515 /nfs/dbraw/zinc/57/45/15/712574515.db2.gz KDDSYPZRMIOAEQ-NWDGAFQWSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000716815090 712576473 /nfs/dbraw/zinc/57/64/73/712576473.db2.gz PKNGPEHZQQHKQW-IJLUTSLNSA-N 0 3 237.343 2.592 20 10 BFCDHN CSC1(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877484826 712631271 /nfs/dbraw/zinc/63/12/71/712631271.db2.gz PLWUNGGEHZZBTO-UHFFFAOYSA-N 0 3 237.368 2.686 20 10 BFCDHN C/C=C/C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000384919339 710999962 /nfs/dbraw/zinc/99/99/62/710999962.db2.gz QYMVZQSYUXLNBD-KXMPLOMGSA-N 0 3 203.285 2.545 20 10 BFCDHN CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000388267785 711055655 /nfs/dbraw/zinc/05/56/55/711055655.db2.gz DIDTWKHXNARCIC-HFAKWTLXSA-N 0 3 249.354 2.856 20 10 BFCDHN CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1ccccc1[O-] ZINC000386891607 711037839 /nfs/dbraw/zinc/03/78/39/711037839.db2.gz NNCOKCVQKWCDKB-WXHSDQCUSA-N 0 3 237.343 2.592 20 10 BFCDHN CC[C@H]([NH2+]CC1(CC)COC1)c1ccccc1[O-] ZINC000393981800 711182140 /nfs/dbraw/zinc/18/21/40/711182140.db2.gz CCYYAFFHVNDEMG-ZDUSSCGKSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1[O-] ZINC000398018088 711399897 /nfs/dbraw/zinc/39/98/97/711399897.db2.gz ARPGIPQBGGCPJO-UTUOFQBUSA-N 0 3 235.327 2.610 20 10 BFCDHN CC1(C2([NH2+]Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000398220142 711405751 /nfs/dbraw/zinc/40/57/51/711405751.db2.gz OASUHRNIVBNQCS-UHFFFAOYSA-N 0 3 235.302 2.954 20 10 BFCDHN CC[C@H](O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000398536211 711411840 /nfs/dbraw/zinc/41/18/40/711411840.db2.gz ZJEAQUGRKUCWTA-STQMWFEESA-N 0 3 249.354 2.520 20 10 BFCDHN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000381632702 710663948 /nfs/dbraw/zinc/66/39/48/710663948.db2.gz RYCZXKJKUXULRP-KWQFWETISA-N 0 3 241.331 2.515 20 10 BFCDHN COC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)C ZINC000386521986 711031892 /nfs/dbraw/zinc/03/18/92/711031892.db2.gz NSMZBICEOBNADM-OLZOCXBDSA-N 0 3 249.354 2.640 20 10 BFCDHN CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CO1 ZINC000396531679 711222850 /nfs/dbraw/zinc/22/28/50/711222850.db2.gz KYCQWDILGZLLIF-NEPJUHHUSA-N 0 3 247.338 2.537 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)c([O-])c1 ZINC000397337213 711381916 /nfs/dbraw/zinc/38/19/16/711381916.db2.gz ZNWMXCMCTJXUPZ-IUODEOHRSA-N 0 3 249.354 2.778 20 10 BFCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CS1 ZINC000397820214 711393332 /nfs/dbraw/zinc/39/33/32/711393332.db2.gz JTSGIFZOBXMXIF-GZMMTYOYSA-N 0 3 241.331 2.515 20 10 BFCDHN CC[C@@H](NCc1cnc(C)o1)c1ccccc1O ZINC000397923616 711396659 /nfs/dbraw/zinc/39/66/59/711396659.db2.gz PQVZLLUOXSRZDT-CYBMUJFWSA-N 0 3 246.310 2.930 20 10 BFCDHN C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000399569601 711431676 /nfs/dbraw/zinc/43/16/76/711431676.db2.gz OGIAAHYUDFSEFB-IJLUTSLNSA-N 0 3 219.328 2.869 20 10 BFCDHN C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000399569601 711431679 /nfs/dbraw/zinc/43/16/79/711431679.db2.gz OGIAAHYUDFSEFB-IJLUTSLNSA-N 0 3 219.328 2.869 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000724015524 711556491 /nfs/dbraw/zinc/55/64/91/711556491.db2.gz VIFGBFUYRPUYKQ-UONOGXRCSA-N 0 3 249.354 2.687 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c([O-])c1 ZINC000393967053 711680761 /nfs/dbraw/zinc/68/07/61/711680761.db2.gz RNITXIFCRMPMRA-GHMZBOCLSA-N 0 3 237.343 2.511 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000387350005 711788540 /nfs/dbraw/zinc/78/85/40/711788540.db2.gz VERRSVCKQJCKPA-CYBMUJFWSA-N 0 3 235.302 2.954 20 10 BFCDHN Cc1cccc(CNCc2cccc(C)c2O)n1 ZINC000161122603 711810734 /nfs/dbraw/zinc/81/07/34/711810734.db2.gz IHLTZKFQOGUOTP-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN C[C@@H]([NH2+]CCc1ccoc1)c1ccccc1[O-] ZINC000701434753 712023129 /nfs/dbraw/zinc/02/31/29/712023129.db2.gz AOAHUZLBFLPRII-LLVKDONJSA-N 0 3 231.295 2.879 20 10 BFCDHN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccccc1[O-] ZINC000703611484 712081435 /nfs/dbraw/zinc/08/14/35/712081435.db2.gz ALIPZLKFDDDFFM-XIKARTHZSA-N 0 3 249.354 2.736 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000706491151 712147172 /nfs/dbraw/zinc/14/71/72/712147172.db2.gz ABUUPCSCFXXVSE-IJLUTSLNSA-N 0 3 235.327 2.529 20 10 BFCDHN Cc1ccc(O)c(CN2CCOC(C)(C)[C@@H]2C)c1 ZINC000707701351 712177090 /nfs/dbraw/zinc/17/70/90/712177090.db2.gz QMVJKZUSJWCRKH-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1CCN1CC)c1ccccc1[O-] ZINC000712527828 712440984 /nfs/dbraw/zinc/44/09/84/712440984.db2.gz HDCXHHFELXZESR-TZMCWYRMSA-N 0 3 248.370 2.527 20 10 BFCDHN CC1(C)CC[C@@H](C[NH2+]Cc2ccccc2[O-])OC1 ZINC000713598243 712466762 /nfs/dbraw/zinc/46/67/62/712466762.db2.gz ZGOXYBKFTLGAJP-ZDUSSCGKSA-N 0 3 249.354 2.687 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccccc1[O-] ZINC000714466328 712490890 /nfs/dbraw/zinc/49/08/90/712490890.db2.gz RVQLWFOIOVHNMH-MBNYWOFBSA-N 0 3 249.354 2.858 20 10 BFCDHN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000714467363 712491248 /nfs/dbraw/zinc/49/12/48/712491248.db2.gz ZUONBMRVEBYEJG-UPJWGTAASA-N 0 3 249.354 2.776 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccccc1[O-] ZINC000714720769 712496461 /nfs/dbraw/zinc/49/64/61/712496461.db2.gz BPGURHFKDZNCQB-YRGRVCCFSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H](Cc1ccco1)[NH2+]Cc1ccccc1[O-] ZINC000036993533 712527262 /nfs/dbraw/zinc/52/72/62/712527262.db2.gz GCSQIIYWGKLYCU-NSHDSACASA-N 0 3 231.295 2.706 20 10 BFCDHN CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000718742693 712779974 /nfs/dbraw/zinc/77/99/74/712779974.db2.gz ZGOWWVNRCLAVRC-ZIAGYGMSSA-N 0 3 249.354 2.830 20 10 BFCDHN C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000038095425 712807781 /nfs/dbraw/zinc/80/77/81/712807781.db2.gz LFBSYBLZZPKNKY-NEPJUHHUSA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1[O-] ZINC000038095427 712807903 /nfs/dbraw/zinc/80/79/03/712807903.db2.gz LFBSYBLZZPKNKY-VXGBXAGGSA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)c([O-])c1 ZINC000038095889 712807980 /nfs/dbraw/zinc/80/79/80/712807980.db2.gz XJDALQCGBLXXNU-QWHCGFSZSA-N 0 3 249.354 2.920 20 10 BFCDHN CCC[N@H+](CC)Cc1ccc(OC)cc1[O-] ZINC000168989630 966499263 /nfs/dbraw/zinc/49/92/63/966499263.db2.gz WLXHMAZLMFLUTE-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCC[N@@H+](CC)Cc1ccc(OC)cc1[O-] ZINC000168989630 966499276 /nfs/dbraw/zinc/49/92/76/966499276.db2.gz WLXHMAZLMFLUTE-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1=CCCC1 ZINC000401061021 970653361 /nfs/dbraw/zinc/65/33/61/970653361.db2.gz UWSHGOFXZRSIFY-UHFFFAOYSA-N 0 3 203.285 2.592 20 10 BFCDHN CC[N@H+](CCSC)Cc1ccc(C)cc1[O-] ZINC000877607962 983956008 /nfs/dbraw/zinc/95/60/08/983956008.db2.gz KNHBQCVAPNEWRO-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CC[N@@H+](CCSC)Cc1ccc(C)cc1[O-] ZINC000877607962 983956017 /nfs/dbraw/zinc/95/60/17/983956017.db2.gz KNHBQCVAPNEWRO-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])c1ccccn1 ZINC000692937026 956882436 /nfs/dbraw/zinc/88/24/36/956882436.db2.gz NAAWGPJVOWUVKK-GFCCVEGCSA-N 0 3 242.322 2.681 20 10 BFCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccccn1 ZINC000692937028 956882836 /nfs/dbraw/zinc/88/28/36/956882836.db2.gz NAAWGPJVOWUVKK-LBPRGKRZSA-N 0 3 242.322 2.681 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccccc1[O-] ZINC000316763161 972292043 /nfs/dbraw/zinc/29/20/43/972292043.db2.gz NMUFNFODOOCCNN-DZGCQCFKSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c([O-])c1 ZINC000316829735 972295104 /nfs/dbraw/zinc/29/51/04/972295104.db2.gz VREFXRNJELHOCI-XHDPSFHLSA-N 0 3 249.354 2.512 20 10 BFCDHN CC(C)O[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000404728100 959331890 /nfs/dbraw/zinc/33/18/90/959331890.db2.gz YGJOAUPXSXUJFX-AWEZNQCLSA-N 0 3 249.354 2.782 20 10 BFCDHN CC(C)O[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000404728100 959331898 /nfs/dbraw/zinc/33/18/98/959331898.db2.gz YGJOAUPXSXUJFX-AWEZNQCLSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1ccc(CN2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001140948228 960744408 /nfs/dbraw/zinc/74/44/08/960744408.db2.gz YYEXUQAZTYFUSD-PWSUYJOCSA-N 0 3 223.291 2.633 20 10 BFCDHN CCC[N@H+](CCOC)Cc1ccc(C)cc1[O-] ZINC001140948419 960747398 /nfs/dbraw/zinc/74/73/98/960747398.db2.gz GPTHYUTYLOMGQA-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CCC[N@@H+](CCOC)Cc1ccc(C)cc1[O-] ZINC001140948419 960747416 /nfs/dbraw/zinc/74/74/16/960747416.db2.gz GPTHYUTYLOMGQA-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC001140950000 960750732 /nfs/dbraw/zinc/75/07/32/960750732.db2.gz QHAACTNAFQNVRB-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC001140950000 960750748 /nfs/dbraw/zinc/75/07/48/960750748.db2.gz QHAACTNAFQNVRB-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CO1 ZINC000688440588 963293156 /nfs/dbraw/zinc/29/31/56/963293156.db2.gz UPKAOULDGYYTFF-QJPTWQEYSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1ccc(O)c(CN2CCC[C@@H](F)C2)c1 ZINC000689887765 963880998 /nfs/dbraw/zinc/88/09/98/963880998.db2.gz VXZUUUBDBJYTDG-GFCCVEGCSA-N 0 3 223.291 2.635 20 10 BFCDHN COc1ccc(C[N@@H+]2CCC3(CCC3)C2)c([O-])c1 ZINC000093456010 964133294 /nfs/dbraw/zinc/13/32/94/964133294.db2.gz YKVRYWUTNXJGKP-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1ccc(C[N@H+]2CCC3(CCC3)C2)c([O-])c1 ZINC000093456010 964133300 /nfs/dbraw/zinc/13/33/00/964133300.db2.gz YKVRYWUTNXJGKP-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CC(C)C1 ZINC001237486093 966664160 /nfs/dbraw/zinc/66/41/60/966664160.db2.gz VLBVRPLQHBMYKZ-UHFFFAOYSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)C1CC(C)C1 ZINC001237486093 966664169 /nfs/dbraw/zinc/66/41/69/966664169.db2.gz VLBVRPLQHBMYKZ-UHFFFAOYSA-N 0 3 219.328 2.931 20 10 BFCDHN COCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC001203555879 966687454 /nfs/dbraw/zinc/68/74/54/966687454.db2.gz IIMDIRAHVQZVFA-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN COCC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC001203555879 966687458 /nfs/dbraw/zinc/68/74/58/966687458.db2.gz IIMDIRAHVQZVFA-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CCCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203557014 966687618 /nfs/dbraw/zinc/68/76/18/966687618.db2.gz YQLPGRYMVJBPSL-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(O)cc1[O-] ZINC001204272254 966955444 /nfs/dbraw/zinc/95/54/44/966955444.db2.gz KTAQOQNOFZCCOB-GHMZBOCLSA-N 0 3 235.327 2.861 20 10 BFCDHN C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204275570 966955642 /nfs/dbraw/zinc/95/56/42/966955642.db2.gz WIEVCNZDCCFLJW-MNOVXSKESA-N 0 3 235.327 2.718 20 10 BFCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204275570 966955650 /nfs/dbraw/zinc/95/56/50/966955650.db2.gz WIEVCNZDCCFLJW-MNOVXSKESA-N 0 3 235.327 2.718 20 10 BFCDHN [O-]c1cc(O)ccc1C[NH+]1CCCCCCC1 ZINC001204278555 966961793 /nfs/dbraw/zinc/96/17/93/966961793.db2.gz FQCLRYDCLMJLGM-UHFFFAOYSA-N 0 3 235.327 2.864 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC=CO1 ZINC001208881715 969271144 /nfs/dbraw/zinc/27/11/44/969271144.db2.gz DVQQIRDMBWRUPJ-AWEZNQCLSA-N 0 3 247.338 2.907 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC=CO1 ZINC001208881715 969271152 /nfs/dbraw/zinc/27/11/52/969271152.db2.gz DVQQIRDMBWRUPJ-AWEZNQCLSA-N 0 3 247.338 2.907 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000390780376 973939993 /nfs/dbraw/zinc/93/99/93/973939993.db2.gz JGLSFPBVUZEVSE-UHFFFAOYSA-N 0 3 217.312 2.815 20 10 BFCDHN CCOCC[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001172433450 974719466 /nfs/dbraw/zinc/71/94/66/974719466.db2.gz PVICFBULCXZIPK-GFCCVEGCSA-N 0 3 249.354 2.565 20 10 BFCDHN CCOCC[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001172433450 974719469 /nfs/dbraw/zinc/71/94/69/974719469.db2.gz PVICFBULCXZIPK-GFCCVEGCSA-N 0 3 249.354 2.565 20 10 BFCDHN CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173264079 975121520 /nfs/dbraw/zinc/12/15/20/975121520.db2.gz QTURRXJXPOCJDQ-PWSUYJOCSA-N 0 3 235.327 2.766 20 10 BFCDHN Cc1cnccc1Nc1cc(F)c(F)cc1O ZINC001174539440 976828730 /nfs/dbraw/zinc/82/87/30/976828730.db2.gz FHEIOEQQRHCAOR-UHFFFAOYSA-N 0 3 236.221 2.539 20 10 BFCDHN CCc1ccc(Nc2ccncc2C)c(O)c1 ZINC001174539539 976829594 /nfs/dbraw/zinc/82/95/94/976829594.db2.gz KZHMUBIRJGCFPT-UHFFFAOYSA-N 0 3 228.295 2.824 20 10 BFCDHN CC(C)(/C=C/Cl)NCc1ccc(N)cc1 ZINC001335288917 976931017 /nfs/dbraw/zinc/93/10/17/976931017.db2.gz KBJLFJSMKMSKFT-BQYQJAHWSA-N 0 3 224.735 2.890 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000691570873 977157288 /nfs/dbraw/zinc/15/72/88/977157288.db2.gz QPFRCUXGNOGCSV-SNVBAGLBSA-N 0 3 227.254 2.527 20 10 BFCDHN Cc1cccc(CN2CCC(=O)[C@@H](C)CC2)c1O ZINC001231590828 977644370 /nfs/dbraw/zinc/64/43/70/977644370.db2.gz IKEMKOMZKUELBI-NSHDSACASA-N 0 3 247.338 2.502 20 10 BFCDHN CCc1ccc(C[N@H+](C)CCSC)c([O-])c1 ZINC001236787248 979729306 /nfs/dbraw/zinc/72/93/06/979729306.db2.gz HQPGVHNRRLDERE-UHFFFAOYSA-N 0 3 239.384 2.749 20 10 BFCDHN CCc1ccc(C[N@@H+](C)CCSC)c([O-])c1 ZINC001236787248 979729311 /nfs/dbraw/zinc/72/93/11/979729311.db2.gz HQPGVHNRRLDERE-UHFFFAOYSA-N 0 3 239.384 2.749 20 10 BFCDHN CCc1ccc(C[N@@H+]2CC[C@H](C)C2)c([O-])c1 ZINC001236783591 979729695 /nfs/dbraw/zinc/72/96/95/979729695.db2.gz MPHRMDDRRQWNBN-NSHDSACASA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1ccc(C[N@H+]2CC[C@H](C)C2)c([O-])c1 ZINC001236783591 979729708 /nfs/dbraw/zinc/72/97/08/979729708.db2.gz MPHRMDDRRQWNBN-NSHDSACASA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC001236783687 979733567 /nfs/dbraw/zinc/73/35/67/979733567.db2.gz OGKFTWITWYFKIS-LBPRGKRZSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC001236783687 979733578 /nfs/dbraw/zinc/73/35/78/979733578.db2.gz OGKFTWITWYFKIS-LBPRGKRZSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2C)c([O-])c1 ZINC001236782509 979734025 /nfs/dbraw/zinc/73/40/25/979734025.db2.gz BUFDEXHIVYQFPA-NSHDSACASA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2C)c([O-])c1 ZINC001236782509 979734028 /nfs/dbraw/zinc/73/40/28/979734028.db2.gz BUFDEXHIVYQFPA-NSHDSACASA-N 0 3 219.328 2.939 20 10 BFCDHN COc1cc(C)c(C[NH+]2C3CCC2CC3)c([O-])c1 ZINC001236814173 979744956 /nfs/dbraw/zinc/74/49/56/979744956.db2.gz PZBXSEOQKDSJAI-UHFFFAOYSA-N 0 3 247.338 2.836 20 10 BFCDHN CC1C[NH+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826828 979746721 /nfs/dbraw/zinc/74/67/21/979746721.db2.gz NPHYKDLXNSPXEZ-UHFFFAOYSA-N 0 3 227.307 2.997 20 10 BFCDHN CCCO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489071 979914905 /nfs/dbraw/zinc/91/49/05/979914905.db2.gz DPQFNUUNTYIGBH-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN CCCO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489071 979914912 /nfs/dbraw/zinc/91/49/12/979914912.db2.gz DPQFNUUNTYIGBH-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cc(F)cc(CN2CC3(CCC3)C2)c1O ZINC001238064795 980132526 /nfs/dbraw/zinc/13/25/26/980132526.db2.gz QOIWMCBERAJFLE-UHFFFAOYSA-N 0 3 235.302 2.826 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1[O-] ZINC001238068708 980139406 /nfs/dbraw/zinc/13/94/06/980139406.db2.gz VXKFYPWZSOPQLV-GXFFZTMASA-N 0 3 235.302 2.824 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]3C[C@H]32)c1[O-] ZINC001238068708 980139412 /nfs/dbraw/zinc/13/94/12/980139412.db2.gz VXKFYPWZSOPQLV-GXFFZTMASA-N 0 3 235.302 2.824 20 10 BFCDHN Cn1ccc2c1cccc2-c1ccc(CN)nc1 ZINC001241821575 983075663 /nfs/dbraw/zinc/07/56/63/983075663.db2.gz IZZFLHOZWFGWHV-UHFFFAOYSA-N 0 3 237.306 2.699 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1[O-] ZINC000688275438 985596001 /nfs/dbraw/zinc/59/60/01/985596001.db2.gz YGOASSFQCNEASK-NEPJUHHUSA-N 0 3 247.338 2.754 20 10 BFCDHN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CC1(F)F ZINC000689186252 986381163 /nfs/dbraw/zinc/38/11/63/986381163.db2.gz PPJVWTCXPGRIPJ-LLVKDONJSA-N 0 3 245.244 2.666 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCSC1 ZINC001255289853 986891721 /nfs/dbraw/zinc/89/17/21/986891721.db2.gz BZWARTWRKYGYFA-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCSC1 ZINC001255289853 986891726 /nfs/dbraw/zinc/89/17/26/986891726.db2.gz BZWARTWRKYGYFA-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)C2CCC2)c([O-])c1 ZINC001308605598 991061257 /nfs/dbraw/zinc/06/12/57/991061257.db2.gz PYTFUSFJNNAPTQ-UHFFFAOYSA-N 0 3 235.327 2.694 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)C2CCC2)c([O-])c1 ZINC001308605598 991061265 /nfs/dbraw/zinc/06/12/65/991061265.db2.gz PYTFUSFJNNAPTQ-UHFFFAOYSA-N 0 3 235.327 2.694 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@]1(C)CCCCO1 ZINC001308623861 991064626 /nfs/dbraw/zinc/06/46/26/991064626.db2.gz IBCNYDUYOYPBRE-HNNXBMFYSA-N 0 3 249.354 2.783 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@]1(C)CCCCO1 ZINC001308623861 991064634 /nfs/dbraw/zinc/06/46/34/991064634.db2.gz IBCNYDUYOYPBRE-HNNXBMFYSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1ccc(C)c(CN2CC[C@@H](F)C2)c1O ZINC001140178384 991552829 /nfs/dbraw/zinc/55/28/29/991552829.db2.gz KAXCZTFTFLUAOO-LLVKDONJSA-N 0 3 223.291 2.553 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C2(C)CC2)c([O-])c1 ZINC001320131850 992110914 /nfs/dbraw/zinc/11/09/14/992110914.db2.gz TZFQVCATEZDVLF-SNVBAGLBSA-N 0 3 205.301 2.904 20 10 BFCDHN CS[C@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296833257 398191728 /nfs/dbraw/zinc/19/17/28/398191728.db2.gz MQONUQDWBKWFGV-KOLCDFICSA-N 0 3 237.368 2.721 20 10 BFCDHN C[C@H](CCCCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296252040 398208971 /nfs/dbraw/zinc/20/89/71/398208971.db2.gz CXZCRDJTFWEMKQ-YPMHNXCESA-N 0 3 249.354 2.520 20 10 BFCDHN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCO2)cc1C ZINC000151703089 178194551 /nfs/dbraw/zinc/19/45/51/178194551.db2.gz CQJMFQKRTLKHDM-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCO2)cc1C ZINC000151703089 178194553 /nfs/dbraw/zinc/19/45/53/178194553.db2.gz CQJMFQKRTLKHDM-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc(O)c(CN2CCO[C@H](C)[C@@H]2C)cc1C ZINC000164338762 178194591 /nfs/dbraw/zinc/19/45/91/178194591.db2.gz VDCDGIJIUBZLSR-QWHCGFSZSA-N 0 3 249.354 2.618 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+](C)C2CCC2)cc1C ZINC000172963616 178195409 /nfs/dbraw/zinc/19/54/09/178195409.db2.gz APFVOHQPMWNAHL-UHFFFAOYSA-N 0 3 219.328 2.993 20 10 BFCDHN Cc1cc([O-])c(C[N@H+](C)C2CCC2)cc1C ZINC000172963616 178195411 /nfs/dbraw/zinc/19/54/11/178195411.db2.gz APFVOHQPMWNAHL-UHFFFAOYSA-N 0 3 219.328 2.993 20 10 BFCDHN CCCCOCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297972283 344015136 /nfs/dbraw/zinc/01/51/36/344015136.db2.gz ZWLHZFSUFMRSTP-ZDUSSCGKSA-N 0 3 249.354 2.786 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000020206512 342977291 /nfs/dbraw/zinc/97/72/91/342977291.db2.gz MDLNQWOAZZOHPM-WDMOLILDSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])C(C)C ZINC000042584864 343444443 /nfs/dbraw/zinc/44/44/43/343444443.db2.gz TXAHOWTXSUSJMM-GFCCVEGCSA-N 0 3 237.343 2.925 20 10 BFCDHN COC1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000058482178 343700511 /nfs/dbraw/zinc/70/05/11/343700511.db2.gz GEWYYPZXEZLKES-UHFFFAOYSA-N 0 3 249.354 2.620 20 10 BFCDHN CC1(C)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180026715 347009687 /nfs/dbraw/zinc/00/96/87/347009687.db2.gz JMVLEHLMPOPHNB-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN CC1(C)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180026715 347009689 /nfs/dbraw/zinc/00/96/89/347009689.db2.gz JMVLEHLMPOPHNB-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])CC1CC1 ZINC000180232530 347019329 /nfs/dbraw/zinc/01/93/29/347019329.db2.gz UCFHYJRRGKKWCM-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])CC1CC1 ZINC000180232530 347019330 /nfs/dbraw/zinc/01/93/30/347019330.db2.gz UCFHYJRRGKKWCM-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000042551930 344459370 /nfs/dbraw/zinc/45/93/70/344459370.db2.gz QNXVARCUFHFBEV-MNOVXSKESA-N 0 3 207.317 2.916 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2CCOCC2)c([O-])c1 ZINC000104204424 187292220 /nfs/dbraw/zinc/29/22/20/187292220.db2.gz JCIHFUIYRWJQKW-GFCCVEGCSA-N 0 3 249.354 2.778 20 10 BFCDHN C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000186426307 187311701 /nfs/dbraw/zinc/31/17/01/187311701.db2.gz QNABVUAATAYMRP-ZPSXMKBBSA-N 0 3 249.354 2.760 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C[C@@H](C)OC ZINC000291065285 346257535 /nfs/dbraw/zinc/25/75/35/346257535.db2.gz KRNKYUBGOYRUTP-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C[C@@H](C)OC ZINC000291065285 346257537 /nfs/dbraw/zinc/25/75/37/346257537.db2.gz KRNKYUBGOYRUTP-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1cccc(C[N@H+](C)CC2CC2)c1[O-] ZINC000179792990 179062825 /nfs/dbraw/zinc/06/28/25/179062825.db2.gz RLHYDZKLKGSVOF-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000179792990 179062827 /nfs/dbraw/zinc/06/28/27/179062827.db2.gz RLHYDZKLKGSVOF-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc(C[N@@H+](C)[C@H]2CCSC2)c1[O-] ZINC000179681062 179072164 /nfs/dbraw/zinc/07/21/64/179072164.db2.gz YUXSTDHKEGMTQE-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[N@H+](C)[C@H]2CCSC2)c1[O-] ZINC000179681062 179072166 /nfs/dbraw/zinc/07/21/66/179072166.db2.gz YUXSTDHKEGMTQE-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1noc(C)c1CNCc1cccc(C)c1O ZINC000124735578 179094738 /nfs/dbraw/zinc/09/47/38/179094738.db2.gz XOUNDHMUJWGVKC-UHFFFAOYSA-N 0 3 246.310 2.595 20 10 BFCDHN Cc1cccc(CN[C@H](C)c2ccccn2)c1O ZINC000161121731 179099822 /nfs/dbraw/zinc/09/98/22/179099822.db2.gz QUMXBHJSQDQZIA-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000186787053 347240803 /nfs/dbraw/zinc/24/08/03/347240803.db2.gz WEJSQOCPSZFECS-UMVBOHGHSA-N 0 3 249.354 2.736 20 10 BFCDHN CC1(C)OCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296596487 188269746 /nfs/dbraw/zinc/26/97/46/188269746.db2.gz VIFZUHFBEOUUOE-AAEUAGOBSA-N 0 3 247.338 2.537 20 10 BFCDHN CC(C)=CCC[NH2+]Cc1ccccc1[O-] ZINC000276658623 188379934 /nfs/dbraw/zinc/37/99/34/188379934.db2.gz VNOPWRCHLSLOEJ-UHFFFAOYSA-N 0 3 205.301 2.838 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCOCC[C@H]2C)cc1C ZINC000091589925 360120975 /nfs/dbraw/zinc/12/09/75/360120975.db2.gz ZWBDSXKZRGEAQI-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCOCC[C@H]2C)cc1C ZINC000091589925 360120977 /nfs/dbraw/zinc/12/09/77/360120977.db2.gz ZWBDSXKZRGEAQI-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCCO1)CC2 ZINC000296004263 183298647 /nfs/dbraw/zinc/29/86/47/183298647.db2.gz OOIPENPBHZRXGL-CHWSQXEVSA-N 0 3 247.338 2.538 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284933198 183301708 /nfs/dbraw/zinc/30/17/08/183301708.db2.gz GZYFLHAMUHDYOD-DZGCQCFKSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284933198 183301711 /nfs/dbraw/zinc/30/17/11/183301711.db2.gz GZYFLHAMUHDYOD-DZGCQCFKSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CCC(CF)CC1 ZINC000294989687 183301807 /nfs/dbraw/zinc/30/18/07/183301807.db2.gz HJQDLAREVINFEF-UHFFFAOYSA-N 0 3 223.291 2.574 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCC1=CCCC1 ZINC000120152066 183302418 /nfs/dbraw/zinc/30/24/18/183302418.db2.gz GELLVSDJSSJEMV-UHFFFAOYSA-N 0 3 217.312 2.982 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000288513156 183304069 /nfs/dbraw/zinc/30/40/69/183304069.db2.gz TWPQFHOKMPFMEE-NSHDSACASA-N 0 3 237.368 2.625 20 10 BFCDHN CCC[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000050273162 169267897 /nfs/dbraw/zinc/26/78/97/169267897.db2.gz OMOXXHGUSUBHNH-UHFFFAOYSA-N 0 3 223.316 2.681 20 10 BFCDHN CCCOc1ccc(C[NH2+]C(C)C)c([O-])c1 ZINC000050273163 169318777 /nfs/dbraw/zinc/31/87/77/169318777.db2.gz SVXYFSRWRRJUNS-UHFFFAOYSA-N 0 3 223.316 2.679 20 10 BFCDHN CCC[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000293701270 169385580 /nfs/dbraw/zinc/38/55/80/169385580.db2.gz OWWTVCWGGFNKIG-STQMWFEESA-N 0 3 249.354 2.784 20 10 BFCDHN CC(C)=CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111235711 383843531 /nfs/dbraw/zinc/84/35/31/383843531.db2.gz CXZUPIDDKSPVEU-UHFFFAOYSA-N 0 3 205.301 2.790 20 10 BFCDHN CC(C)=CC[N@H+](C)Cc1ccccc1[O-] ZINC000111235711 383843533 /nfs/dbraw/zinc/84/35/33/383843533.db2.gz CXZUPIDDKSPVEU-UHFFFAOYSA-N 0 3 205.301 2.790 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000035628718 383865246 /nfs/dbraw/zinc/86/52/46/383865246.db2.gz DUPHKTDQASOFHY-RYUDHWBXSA-N 0 3 235.327 2.530 20 10 BFCDHN CO[C@]1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000072926518 384237884 /nfs/dbraw/zinc/23/78/84/384237884.db2.gz BFSNYBVENUGLIL-UKRRQHHQSA-N 0 3 249.354 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)CCOCC2CC2)c1 ZINC000093818641 384273475 /nfs/dbraw/zinc/27/34/75/384273475.db2.gz WWLBDBSFXBIZMT-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)CCOCC2CC2)c1 ZINC000093818641 384273481 /nfs/dbraw/zinc/27/34/81/384273481.db2.gz WWLBDBSFXBIZMT-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000294188194 384317596 /nfs/dbraw/zinc/31/75/96/384317596.db2.gz KUBQUMUYLBUOIN-RISCZKNCSA-N 0 3 237.343 2.543 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)CCCO)c1ccccc1[O-] ZINC000094942502 384318952 /nfs/dbraw/zinc/31/89/52/384318952.db2.gz VPHLCVDQYBEGBH-YPMHNXCESA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCO)c([O-])c1 ZINC000094942338 384319746 /nfs/dbraw/zinc/31/97/46/384319746.db2.gz NNJWYSRPVANAFM-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC2CC(F)(F)C2)c1 ZINC000291657683 384297305 /nfs/dbraw/zinc/29/73/05/384297305.db2.gz DPBQBCKHSUWUFL-UHFFFAOYSA-N 0 3 241.281 2.836 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1[O-] ZINC000134245370 384342361 /nfs/dbraw/zinc/34/23/61/384342361.db2.gz RDOLLKRDDIYWOE-KGYLQXTDSA-N 0 3 235.327 2.610 20 10 BFCDHN CN(CCC(F)(F)F)Cc1ccccc1O ZINC000096867339 384482612 /nfs/dbraw/zinc/48/26/12/384482612.db2.gz YYIYFMIEFAKGOU-UHFFFAOYSA-N 0 3 233.233 2.776 20 10 BFCDHN C[C@H]([NH2+]CCCN1CCCC1)c1ccccc1[O-] ZINC000020129008 384580611 /nfs/dbraw/zinc/58/06/11/384580611.db2.gz HFQIMLQHNKHSCI-ZDUSSCGKSA-N 0 3 248.370 2.529 20 10 BFCDHN CC[C@H](CSC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000162165421 384583198 /nfs/dbraw/zinc/58/31/98/384583198.db2.gz BRCDTOFJDILNBP-GFCCVEGCSA-N 0 3 239.384 2.932 20 10 BFCDHN C[N@H+](CCC1CC1)Cc1ccccc1[O-] ZINC000173358850 384677871 /nfs/dbraw/zinc/67/78/71/384677871.db2.gz YFOUIACXYPFIMA-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN C[N@@H+](CCC1CC1)Cc1ccccc1[O-] ZINC000173358850 384677882 /nfs/dbraw/zinc/67/78/82/384677882.db2.gz YFOUIACXYPFIMA-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CCOCC2)c1 ZINC000104191323 384810983 /nfs/dbraw/zinc/81/09/83/384810983.db2.gz SWYDRKNZZZHNMV-GFCCVEGCSA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000186787086 384879015 /nfs/dbraw/zinc/87/90/15/384879015.db2.gz UYZJSJVUXLEGLI-IACUBPJLSA-N 0 3 249.354 2.655 20 10 BFCDHN C/C=C/C[C@@H](CO)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000186426292 384840969 /nfs/dbraw/zinc/84/09/69/384840969.db2.gz QNABVUAATAYMRP-QDFGCFFBSA-N 0 3 249.354 2.760 20 10 BFCDHN CN(C)c1ccc(CNCc2cc[nH]c2)cc1F ZINC000086252255 385001684 /nfs/dbraw/zinc/00/16/84/385001684.db2.gz NCKHCWWEZHVQJG-UHFFFAOYSA-N 0 3 247.317 2.510 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(F)ccc1[O-] ZINC000164601863 385020133 /nfs/dbraw/zinc/02/01/33/385020133.db2.gz DYFZRZAFLDRZCD-UTLUCORTSA-N 0 3 223.291 2.838 20 10 BFCDHN C[C@@H]([NH2+]CC1CCC1)c1cc(F)ccc1[O-] ZINC000087111356 385076158 /nfs/dbraw/zinc/07/61/58/385076158.db2.gz KJHWJQYCYOURKH-SECBINFHSA-N 0 3 223.291 2.982 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c([O-])c1 ZINC000189288520 385140689 /nfs/dbraw/zinc/14/06/89/385140689.db2.gz ADMCKNPSSWVNNO-AVGNSLFASA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCC2)c1 ZINC000052207920 385244430 /nfs/dbraw/zinc/24/44/30/385244430.db2.gz NOSYOYZRUNVPOE-SNVBAGLBSA-N 0 3 205.301 2.904 20 10 BFCDHN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000191644296 385312805 /nfs/dbraw/zinc/31/28/05/385312805.db2.gz KSQINGXFYMMBHF-IVZWLZJFSA-N 0 3 241.306 2.605 20 10 BFCDHN CC(C)CC[N@H+](C)Cc1ccccc1[O-] ZINC000113750539 385267272 /nfs/dbraw/zinc/26/72/72/385267272.db2.gz WVRKOPPLDRQGRL-UHFFFAOYSA-N 0 3 207.317 2.870 20 10 BFCDHN CC(C)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000113750539 385267277 /nfs/dbraw/zinc/26/72/77/385267277.db2.gz WVRKOPPLDRQGRL-UHFFFAOYSA-N 0 3 207.317 2.870 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCS[C@H](C)C2)c1 ZINC000131404263 385330601 /nfs/dbraw/zinc/33/06/01/385330601.db2.gz HBHHCDIRTNVBLK-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCS[C@H](C)C2)c1 ZINC000131404263 385330605 /nfs/dbraw/zinc/33/06/05/385330605.db2.gz HBHHCDIRTNVBLK-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN CSC1(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000193829877 385414975 /nfs/dbraw/zinc/41/49/75/385414975.db2.gz BLNKFOMKTNYYKM-SNVBAGLBSA-N 0 3 237.368 2.938 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000156028929 385430757 /nfs/dbraw/zinc/43/07/57/385430757.db2.gz LBFPUAXWEOCTKE-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000156028929 385430759 /nfs/dbraw/zinc/43/07/59/385430759.db2.gz LBFPUAXWEOCTKE-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CSCC[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000179577934 385475300 /nfs/dbraw/zinc/47/53/00/385475300.db2.gz DHVXIBVBMGUCKQ-NSHDSACASA-N 0 3 239.384 2.966 20 10 BFCDHN CSCC[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000179577934 385475304 /nfs/dbraw/zinc/47/53/04/385475304.db2.gz DHVXIBVBMGUCKQ-NSHDSACASA-N 0 3 239.384 2.966 20 10 BFCDHN C[C@H]1SCC[N@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000179577096 385475565 /nfs/dbraw/zinc/47/55/65/385475565.db2.gz GLFGQHMLNMKVDH-GHMZBOCLSA-N 0 3 237.368 2.718 20 10 BFCDHN C[C@H]1SCC[N@@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000179577096 385475569 /nfs/dbraw/zinc/47/55/69/385475569.db2.gz GLFGQHMLNMKVDH-GHMZBOCLSA-N 0 3 237.368 2.718 20 10 BFCDHN CCOc1cccc(C[N@H+](CC)C2CC2)c1[O-] ZINC000180101398 385507584 /nfs/dbraw/zinc/50/75/84/385507584.db2.gz YVOODBUTLXZBFF-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[N@@H+](CC)C2CC2)c1[O-] ZINC000180101398 385507588 /nfs/dbraw/zinc/50/75/88/385507588.db2.gz YVOODBUTLXZBFF-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccccc1[O-] ZINC000280902413 385616835 /nfs/dbraw/zinc/61/68/35/385616835.db2.gz FUVOQASDGKAWSU-DGCLKSJQSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1[O-] ZINC000283420579 385658045 /nfs/dbraw/zinc/65/80/45/385658045.db2.gz RONQXHWFCVVJQQ-CABZTGNLSA-N 0 3 237.368 2.937 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])[C@H](C)C1 ZINC000282226422 385743023 /nfs/dbraw/zinc/74/30/23/385743023.db2.gz IINGUZVBHYRTFZ-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])[C@H](C)C1 ZINC000282226422 385743030 /nfs/dbraw/zinc/74/30/30/385743030.db2.gz IINGUZVBHYRTFZ-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(C)COC2)c([O-])c1 ZINC000283967199 385843155 /nfs/dbraw/zinc/84/31/55/385843155.db2.gz GIVPRJUPPCRGAV-LBPRGKRZSA-N 0 3 249.354 2.696 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(F)ccc1[O-] ZINC000273361139 385991824 /nfs/dbraw/zinc/99/18/24/385991824.db2.gz ALUQQMRDZYYYEL-SNVBAGLBSA-N 0 3 248.301 2.721 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccn(C)c2)c1 ZINC000273367728 385992775 /nfs/dbraw/zinc/99/27/75/385992775.db2.gz BVLXPFNGOHAWIY-LBPRGKRZSA-N 0 3 244.338 2.890 20 10 BFCDHN Cc1ccc(CNCc2cccc(C)c2O)cn1 ZINC000161122745 385936487 /nfs/dbraw/zinc/93/64/87/385936487.db2.gz RYJILXSUUHQNFB-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2cccc(C)c2[O-])cn1 ZINC000161122745 385936496 /nfs/dbraw/zinc/93/64/96/385936496.db2.gz RYJILXSUUHQNFB-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN C[C@@H]([NH2+]Cc1cccn1C)c1ccccc1[O-] ZINC000272821359 385940630 /nfs/dbraw/zinc/94/06/30/385940630.db2.gz FUSWYSXWLJVQIG-LLVKDONJSA-N 0 3 230.311 2.582 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cnn(C)c1 ZINC000272883952 385946585 /nfs/dbraw/zinc/94/65/85/385946585.db2.gz RBERXKMICJQNGB-GHMZBOCLSA-N 0 3 245.326 2.538 20 10 BFCDHN CCC1(C)C[NH+](Cc2ccccc2[O-])C1 ZINC000297368312 386248691 /nfs/dbraw/zinc/24/86/91/386248691.db2.gz IGHCKYKOQZSRKL-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN CSC1(C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC000289064787 386257876 /nfs/dbraw/zinc/25/78/76/386257876.db2.gz JJVOXMZVLOZHDO-UHFFFAOYSA-N 0 3 237.368 2.720 20 10 BFCDHN CSC1(C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000289064787 386257881 /nfs/dbraw/zinc/25/78/81/386257881.db2.gz JJVOXMZVLOZHDO-UHFFFAOYSA-N 0 3 237.368 2.720 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000228848314 386628115 /nfs/dbraw/zinc/62/81/15/386628115.db2.gz ILBPRQMPLHTOKQ-ZLKJLUDKSA-N 0 3 249.354 2.511 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1[O-] ZINC000228799349 386618139 /nfs/dbraw/zinc/61/81/39/386618139.db2.gz PRHXEXFZDOXHHQ-VHSXEESVSA-N 0 3 231.299 2.527 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H]2CC)c1 ZINC000292753351 386721591 /nfs/dbraw/zinc/72/15/91/386721591.db2.gz ISEWJSIIAVFRGV-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H]2CC)c1 ZINC000292753351 386721597 /nfs/dbraw/zinc/72/15/97/386721597.db2.gz ISEWJSIIAVFRGV-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280299806 386801806 /nfs/dbraw/zinc/80/18/06/386801806.db2.gz ZVKDLHPDQCHAFD-ZDUSSCGKSA-N 0 3 237.343 2.778 20 10 BFCDHN CO[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000370709947 387136351 /nfs/dbraw/zinc/13/63/51/387136351.db2.gz SGKLXOOGMWJKOK-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000370709947 387136356 /nfs/dbraw/zinc/13/63/56/387136356.db2.gz SGKLXOOGMWJKOK-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2=CCCOC2)c1 ZINC000287079821 387365022 /nfs/dbraw/zinc/36/50/22/387365022.db2.gz OOVKDZPWOIPWCA-GFCCVEGCSA-N 0 3 247.338 2.698 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000273498334 387459729 /nfs/dbraw/zinc/45/97/29/387459729.db2.gz PNQPUFCIMHOLDW-AGIUHOORSA-N 0 3 249.354 2.919 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(OC)c(C)c1 ZINC000527782989 387709359 /nfs/dbraw/zinc/70/93/59/387709359.db2.gz DFDXMKOYKQHLOZ-CABCVRRESA-N 0 3 249.354 2.661 20 10 BFCDHN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1[O-] ZINC000527930221 387794750 /nfs/dbraw/zinc/79/47/50/387794750.db2.gz QUBNXOKIBJFQPV-QWHCGFSZSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000159196872 388000311 /nfs/dbraw/zinc/00/03/11/388000311.db2.gz ALNYLCSCLLEWAV-NSHDSACASA-N 0 3 205.301 2.624 20 10 BFCDHN CC[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000159196872 388000315 /nfs/dbraw/zinc/00/03/15/388000315.db2.gz ALNYLCSCLLEWAV-NSHDSACASA-N 0 3 205.301 2.624 20 10 BFCDHN CO[C@](C)(C[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000291381562 388375352 /nfs/dbraw/zinc/37/53/52/388375352.db2.gz ZKACYCGNTQBBAL-IAQYHMDHSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@@](C)(C[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000291381561 388375449 /nfs/dbraw/zinc/37/54/49/388375449.db2.gz ZKACYCGNTQBBAL-ABAIWWIYSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000293770793 388391837 /nfs/dbraw/zinc/39/18/37/388391837.db2.gz SDLTUZJPSOOEDA-NHYWBVRUSA-N 0 3 249.354 2.776 20 10 BFCDHN C/C(Cl)=C\CN(C)Cc1ccccc1O ZINC000528414950 388706190 /nfs/dbraw/zinc/70/61/90/388706190.db2.gz CDESFWBBZUKPTI-JXMROGBWSA-N 0 3 225.719 2.967 20 10 BFCDHN CO[C@H](C)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000273605173 389043087 /nfs/dbraw/zinc/04/30/87/389043087.db2.gz TWYWVZFTMNIQIX-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H](C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000164409568 135244230 /nfs/dbraw/zinc/24/42/30/135244230.db2.gz HPADHGIZFGDHRJ-NSHDSACASA-N 0 3 207.317 2.897 20 10 BFCDHN CCCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000162805668 397958247 /nfs/dbraw/zinc/95/82/47/397958247.db2.gz WETVUPVSWSLVIQ-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000162805668 397958251 /nfs/dbraw/zinc/95/82/51/397958251.db2.gz WETVUPVSWSLVIQ-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCOC2)c([O-])c1 ZINC000038044309 398024655 /nfs/dbraw/zinc/02/46/55/398024655.db2.gz OIZQEFXCXQVGMU-QWHCGFSZSA-N 0 3 249.354 2.778 20 10 BFCDHN CN(C)c1ccc(CNC2CC(F)(F)C2)cc1 ZINC000277763412 398033463 /nfs/dbraw/zinc/03/34/63/398033463.db2.gz XKSKHDMRSYHTQL-UHFFFAOYSA-N 0 3 240.297 2.640 20 10 BFCDHN CC(C)SCC[NH2+]Cc1ccccc1[O-] ZINC000290075430 167331836 /nfs/dbraw/zinc/33/18/36/167331836.db2.gz ILRBEANAQFZTQH-UHFFFAOYSA-N 0 3 225.357 2.623 20 10 BFCDHN CC(C)OCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020198002 167223686 /nfs/dbraw/zinc/22/36/86/167223686.db2.gz ABVPKSOLHHBNJU-LBPRGKRZSA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCC=C(C)C2)c1 ZINC000281928230 168100721 /nfs/dbraw/zinc/10/07/21/168100721.db2.gz ZNSWLOUFHXTSTG-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC=C(C)C2)c1 ZINC000281928230 168100724 /nfs/dbraw/zinc/10/07/24/168100724.db2.gz ZNSWLOUFHXTSTG-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000276998654 411443232 /nfs/dbraw/zinc/44/32/32/411443232.db2.gz YWHLMMKOONNMTJ-JQWIXIFHSA-N 0 3 237.343 2.695 20 10 BFCDHN CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000276998657 411443712 /nfs/dbraw/zinc/44/37/12/411443712.db2.gz YWHLMMKOONNMTJ-PWSUYJOCSA-N 0 3 237.343 2.695 20 10 BFCDHN CCOCC(C)(C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000292886584 170354510 /nfs/dbraw/zinc/35/45/10/170354510.db2.gz FKHJFDBNVAYGNN-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])OC ZINC000290271027 170830371 /nfs/dbraw/zinc/83/03/71/170830371.db2.gz WDYHHENFLHYYTR-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000159248116 171012827 /nfs/dbraw/zinc/01/28/27/171012827.db2.gz HUDQGSQBSLCOLP-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000159248116 171012830 /nfs/dbraw/zinc/01/28/30/171012830.db2.gz HUDQGSQBSLCOLP-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000292875217 171024272 /nfs/dbraw/zinc/02/42/72/171024272.db2.gz WXVQGFPLBWPSLH-LLVKDONJSA-N 0 3 209.264 2.516 20 10 BFCDHN CC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000292875217 171024273 /nfs/dbraw/zinc/02/42/73/171024273.db2.gz WXVQGFPLBWPSLH-LLVKDONJSA-N 0 3 209.264 2.516 20 10 BFCDHN CC[C@@H]1CC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000292767277 171026014 /nfs/dbraw/zinc/02/60/14/171026014.db2.gz JZXDEIUMPBALCQ-GFCCVEGCSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@@H]1CC[N@H+]1Cc1cccc(C)c1[O-] ZINC000292767277 171026016 /nfs/dbraw/zinc/02/60/16/171026016.db2.gz JZXDEIUMPBALCQ-GFCCVEGCSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@H](C)C[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000132090946 171274416 /nfs/dbraw/zinc/27/44/16/171274416.db2.gz FOQRYBMDUJDSLN-NSHDSACASA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@H](C)C[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000132090946 171274418 /nfs/dbraw/zinc/27/44/18/171274418.db2.gz FOQRYBMDUJDSLN-NSHDSACASA-N 0 3 237.343 2.879 20 10 BFCDHN CCc1ncc(C[NH2+]Cc2ccccc2[O-])s1 ZINC000122170575 172018892 /nfs/dbraw/zinc/01/88/92/172018892.db2.gz BABXGGOJNPQPBL-UHFFFAOYSA-N 0 3 248.351 2.701 20 10 BFCDHN CN1CCC[C@@H]1CCSc1nccs1 ZINC000153995232 173031158 /nfs/dbraw/zinc/03/11/58/173031158.db2.gz WXLQSHPHJSUTFI-SECBINFHSA-N 0 3 228.386 2.720 20 10 BFCDHN COCC1(C[NH2+]Cc2cccc(C)c2[O-])CCC1 ZINC000282304055 174103603 /nfs/dbraw/zinc/10/36/03/174103603.db2.gz GNDPPDYNSXBHND-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN COCCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617972 174203309 /nfs/dbraw/zinc/20/33/09/174203309.db2.gz WBDMZRNTQFPNGZ-SNVBAGLBSA-N 0 3 241.306 2.609 20 10 BFCDHN COCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000083941613 174385770 /nfs/dbraw/zinc/38/57/70/174385770.db2.gz IHJPHASCZXEYNS-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000290138880 174844613 /nfs/dbraw/zinc/84/46/13/174844613.db2.gz KLIRFMQZHATSLT-GRYCIOLGSA-N 0 3 237.343 2.775 20 10 BFCDHN COc1ccc(CNCc2ccn(C)c2)cc1C ZINC000267140471 175108366 /nfs/dbraw/zinc/10/83/66/175108366.db2.gz XQDTWAIDTXHDID-UHFFFAOYSA-N 0 3 244.338 2.632 20 10 BFCDHN COc1ccc(CN[C@H](C)c2cn[nH]c2)cc1C ZINC000229882106 175111143 /nfs/dbraw/zinc/11/11/43/175111143.db2.gz OXHASXXITMIFIV-LLVKDONJSA-N 0 3 245.326 2.578 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000179714828 175157507 /nfs/dbraw/zinc/15/75/07/175157507.db2.gz FHAPUIYSZTYGTC-JTQLQIEISA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000179714828 175157510 /nfs/dbraw/zinc/15/75/10/175157510.db2.gz FHAPUIYSZTYGTC-JTQLQIEISA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000371424886 175158231 /nfs/dbraw/zinc/15/82/31/175158231.db2.gz JQIOLRKBMBSCHQ-AWEZNQCLSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000371424886 175158233 /nfs/dbraw/zinc/15/82/33/175158233.db2.gz JQIOLRKBMBSCHQ-AWEZNQCLSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000071205854 175158631 /nfs/dbraw/zinc/15/86/31/175158631.db2.gz YWCSBSBMMJXXRB-MFKMUULPSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC2(C)C)c1 ZINC000045115684 175159754 /nfs/dbraw/zinc/15/97/54/175159754.db2.gz JIHNBVHNFVQAIZ-TVQRCGJNSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000168740143 175159814 /nfs/dbraw/zinc/15/98/14/175159814.db2.gz JESXEQCFGXKQCX-VWYCJHECSA-N 0 3 235.327 2.707 20 10 BFCDHN COc1cccc(C[N@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000132234353 175255128 /nfs/dbraw/zinc/25/51/28/175255128.db2.gz GHKOILAKQCDBRN-LLVKDONJSA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cccc(C[N@@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000132234353 175255130 /nfs/dbraw/zinc/25/51/30/175255130.db2.gz GHKOILAKQCDBRN-LLVKDONJSA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000371418707 175259175 /nfs/dbraw/zinc/25/91/75/175259175.db2.gz FGYGQUZOABCEHR-ZDUSSCGKSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000371418707 175259176 /nfs/dbraw/zinc/25/91/76/175259176.db2.gz FGYGQUZOABCEHR-ZDUSSCGKSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000131821774 175260090 /nfs/dbraw/zinc/26/00/90/175260090.db2.gz BDQMEJWSTPYHBJ-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[NH2+]CCC2(C)CC2)c1[O-] ZINC000280653433 175262938 /nfs/dbraw/zinc/26/29/38/175262938.db2.gz SGWNXOACFFMVIV-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN COc1cccc(C[NH2+][C@@H](C)CC2CC2)c1[O-] ZINC000070100643 175265796 /nfs/dbraw/zinc/26/57/96/175265796.db2.gz QHERIBRCEKMQFU-JTQLQIEISA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CCC2(C)C)c1[O-] ZINC000290141761 175268437 /nfs/dbraw/zinc/26/84/37/175268437.db2.gz OBOGJSNDQADYPE-LBPRGKRZSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@H](c1ccccn1)N(C)Cc1ccccc1O ZINC000177154029 177042894 /nfs/dbraw/zinc/04/28/94/177042894.db2.gz PVOFNYXLHSQVTD-GFCCVEGCSA-N 0 3 242.322 2.980 20 10 BFCDHN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000179585312 177164415 /nfs/dbraw/zinc/16/44/15/177164415.db2.gz SUBFVLNMYVJOIA-WDEREUQCSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccccc1[O-] ZINC000179585312 177164417 /nfs/dbraw/zinc/16/44/17/177164417.db2.gz SUBFVLNMYVJOIA-WDEREUQCSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@H]1CSCC[N@H+](Cc2ccccc2[O-])C1 ZINC000190840779 177304113 /nfs/dbraw/zinc/30/41/13/177304113.db2.gz DIHSMERNMRRBBA-LLVKDONJSA-N 0 3 237.368 2.577 20 10 BFCDHN C[C@H]1CSCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000190840779 177304114 /nfs/dbraw/zinc/30/41/14/177304114.db2.gz DIHSMERNMRRBBA-LLVKDONJSA-N 0 3 237.368 2.577 20 10 BFCDHN CC[C@H](C[NH2+][C@@H](CC)c1ccccc1[O-])OC ZINC000290190540 325920196 /nfs/dbraw/zinc/92/01/96/325920196.db2.gz OGBKGZBGASYQBA-YPMHNXCESA-N 0 3 237.343 2.858 20 10 BFCDHN CCC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894148534 583320392 /nfs/dbraw/zinc/32/03/92/583320392.db2.gz ZRVJLIRBLVDBET-NSHDSACASA-N 0 3 237.343 2.987 20 10 BFCDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000725779849 582848487 /nfs/dbraw/zinc/84/84/87/582848487.db2.gz RYULCLRNGDDDGX-NSHDSACASA-N 0 3 231.339 2.723 20 10 BFCDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000725779849 582848488 /nfs/dbraw/zinc/84/84/88/582848488.db2.gz RYULCLRNGDDDGX-NSHDSACASA-N 0 3 231.339 2.723 20 10 BFCDHN CCOc1ccc(CNCc2ccoc2)c(O)c1 ZINC000725846344 582903383 /nfs/dbraw/zinc/90/33/83/582903383.db2.gz GJBBNDHNSJXALS-UHFFFAOYSA-N 0 3 247.294 2.674 20 10 BFCDHN CCCC[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894161723 583321080 /nfs/dbraw/zinc/32/10/80/583321080.db2.gz VDGCVACZOGVBCH-UHFFFAOYSA-N 0 3 223.316 2.599 20 10 BFCDHN CCC[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877555787 583327661 /nfs/dbraw/zinc/32/76/61/583327661.db2.gz BMCAGACQIWNPHO-ZDUSSCGKSA-N 0 3 237.343 2.605 20 10 BFCDHN COc1cc(C)cc(CNCc2ccoc2)c1O ZINC000894199737 583336952 /nfs/dbraw/zinc/33/69/52/583336952.db2.gz FAGDBTCPCCLVTO-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2C)c1[O-] ZINC000894247382 583390509 /nfs/dbraw/zinc/39/05/09/583390509.db2.gz RDZQPQXALBMASQ-YPMHNXCESA-N 0 3 249.354 2.987 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C2CC(C)C2)c1[O-] ZINC000894322846 583422114 /nfs/dbraw/zinc/42/21/14/583422114.db2.gz FZEGTRMYUVQEOT-UHFFFAOYSA-N 0 3 235.327 2.597 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000894325123 583422925 /nfs/dbraw/zinc/42/29/25/583422925.db2.gz DSFKTEQIMGSGRO-UHFFFAOYSA-N 0 3 247.338 2.741 20 10 BFCDHN CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1[O-] ZINC000894862202 583535205 /nfs/dbraw/zinc/53/52/05/583535205.db2.gz UAYFZEGFMLSFSF-GHMZBOCLSA-N 0 3 219.328 2.795 20 10 BFCDHN CCc1cccc(C[N@H+]2C[C@@H](C)[C@H]2C)c1[O-] ZINC000894862202 583535207 /nfs/dbraw/zinc/53/52/07/583535207.db2.gz UAYFZEGFMLSFSF-GHMZBOCLSA-N 0 3 219.328 2.795 20 10 BFCDHN CCOc1ccc(C[NH+]2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000793219558 583577497 /nfs/dbraw/zinc/57/74/97/583577497.db2.gz ABPBGNBDZXHSBI-GHMZBOCLSA-N 0 3 235.327 2.774 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000020206519 583616548 /nfs/dbraw/zinc/61/65/48/583616548.db2.gz MDLNQWOAZZOHPM-GYSYKLTISA-N 0 3 235.327 2.610 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000895312320 583647666 /nfs/dbraw/zinc/64/76/66/583647666.db2.gz MZXZLSARBNAXPC-DABQJJPHSA-N 0 3 247.338 2.597 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C2CC(C)(C)C2)c1[O-] ZINC000895341021 583654399 /nfs/dbraw/zinc/65/43/99/583654399.db2.gz DSMVQBBZXWVPST-UHFFFAOYSA-N 0 3 249.354 2.987 20 10 BFCDHN COc1cc(C)cc(CNCC(C)(C)F)c1O ZINC000895416409 583667712 /nfs/dbraw/zinc/66/77/12/583667712.db2.gz VSXBLYZCXFTHSM-UHFFFAOYSA-N 0 3 241.306 2.547 20 10 BFCDHN C=C/C=C/CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000895541635 583688328 /nfs/dbraw/zinc/68/83/28/583688328.db2.gz PGXFTWZTDTWWQU-SNAWJCMRSA-N 0 3 217.312 2.923 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)c([O-])c1 ZINC000895543913 583689627 /nfs/dbraw/zinc/68/96/27/583689627.db2.gz GTGDQCDGYWJJGP-GFCCVEGCSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@H](CF)C2)c([O-])c1 ZINC000895543913 583689628 /nfs/dbraw/zinc/68/96/28/583689628.db2.gz GTGDQCDGYWJJGP-GFCCVEGCSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@]2(C)CCCCO2)c([O-])c1 ZINC000896923015 583856791 /nfs/dbraw/zinc/85/67/91/583856791.db2.gz DXVYJMDWPNQPJJ-OAHLLOKOSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1cccc(C[NH2+]C[C@]2(C)CCCCO2)c1[O-] ZINC000896925509 583858000 /nfs/dbraw/zinc/85/80/00/583858000.db2.gz XRLDMUVBVRXOCL-HNNXBMFYSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)COC(C)C)c1 ZINC000858239101 588940372 /nfs/dbraw/zinc/94/03/72/588940372.db2.gz JCPNLWCCTDTCFE-GFCCVEGCSA-N 0 3 237.343 2.604 20 10 BFCDHN CO[C@H]1C[C@@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000858330488 588946200 /nfs/dbraw/zinc/94/62/00/588946200.db2.gz BQZUKHBWOLPOTH-XBXGTLAGSA-N 0 3 249.354 2.524 20 10 BFCDHN C/C=C\C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000858290793 588942411 /nfs/dbraw/zinc/94/24/11/588942411.db2.gz HPHRFNXLPVKJGK-PLNGDYQASA-N 0 3 205.301 2.675 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897953835 584064268 /nfs/dbraw/zinc/06/42/68/584064268.db2.gz UBWFGWBBGZSPBR-RAIGVLPGSA-N 0 3 217.312 2.670 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897954832 584064696 /nfs/dbraw/zinc/06/46/96/584064696.db2.gz LJKWFNCBYZUMHV-OASPWFOLSA-N 0 3 235.302 2.810 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000898071297 584082297 /nfs/dbraw/zinc/08/22/97/584082297.db2.gz IOKIEIKHCKYIED-BETUJISGSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000898071297 584082299 /nfs/dbraw/zinc/08/22/99/584082299.db2.gz IOKIEIKHCKYIED-BETUJISGSA-N 0 3 231.339 2.933 20 10 BFCDHN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000898224271 584102009 /nfs/dbraw/zinc/10/20/09/584102009.db2.gz SGIPMZPCPNYDNO-ZWNOBZJWSA-N 0 3 235.302 2.976 20 10 BFCDHN CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634387 584648340 /nfs/dbraw/zinc/64/83/40/584648340.db2.gz HHZAQVHOHKJBPS-ZFWWWQNUSA-N 0 3 249.354 2.618 20 10 BFCDHN CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634387 584648342 /nfs/dbraw/zinc/64/83/42/584648342.db2.gz HHZAQVHOHKJBPS-ZFWWWQNUSA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1[O-] ZINC000903265543 584740543 /nfs/dbraw/zinc/74/05/43/584740543.db2.gz MYEUKCXCZGDORR-YVLXSGLVSA-N 0 3 247.338 2.610 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CC(CCO)C2)c1 ZINC000903331454 584754270 /nfs/dbraw/zinc/75/42/70/584754270.db2.gz WXXHJZAQMFAYQE-PNESKVBLSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)c([O-])c1 ZINC000903405928 584758159 /nfs/dbraw/zinc/75/81/59/584758159.db2.gz GEGDCWBYYIWHIT-SMDDNHRTSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc(C[NH2+]CCC2CC2)c([O-])c1 ZINC000877072259 584889702 /nfs/dbraw/zinc/88/97/02/584889702.db2.gz JMEAILWENOWADO-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN Cc1cccc(O)c1CN(C)Cc1cccnc1 ZINC000877168588 584891335 /nfs/dbraw/zinc/89/13/35/584891335.db2.gz OVYMBTPUSKQVMF-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1CC(C(C)(C)C)C1 ZINC000839145114 585092033 /nfs/dbraw/zinc/09/20/33/585092033.db2.gz LEJNTPGXBHCOFY-UHFFFAOYSA-N 0 3 249.354 2.879 20 10 BFCDHN COC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756340823 585317980 /nfs/dbraw/zinc/31/79/80/585317980.db2.gz JUKWCAKCOAGUTC-CMPLNLGQSA-N 0 3 237.343 2.695 20 10 BFCDHN COC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756340826 585317988 /nfs/dbraw/zinc/31/79/88/585317988.db2.gz JUKWCAKCOAGUTC-ZYHUDNBSSA-N 0 3 237.343 2.695 20 10 BFCDHN COCC1([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000756850776 585324358 /nfs/dbraw/zinc/32/43/58/585324358.db2.gz NKTMZWWUJHZDNU-NSHDSACASA-N 0 3 235.327 2.530 20 10 BFCDHN COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([O-])cc1C ZINC000768445805 585538689 /nfs/dbraw/zinc/53/86/89/585538689.db2.gz JNVGSEYUNPQQOI-JQWIXIFHSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c([O-])cc1C ZINC000768445805 585538690 /nfs/dbraw/zinc/53/86/90/585538690.db2.gz JNVGSEYUNPQQOI-JQWIXIFHSA-N 0 3 249.354 2.940 20 10 BFCDHN CC[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769011626 585547575 /nfs/dbraw/zinc/54/75/75/585547575.db2.gz YYYKJFDCZHAAER-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769011626 585547576 /nfs/dbraw/zinc/54/75/76/585547576.db2.gz YYYKJFDCZHAAER-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769103080 585549222 /nfs/dbraw/zinc/54/92/22/585549222.db2.gz QHHKWURNUZRTBK-NSHDSACASA-N 0 3 236.334 2.734 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000770283856 585572382 /nfs/dbraw/zinc/57/23/82/585572382.db2.gz NRSNMEMVDPSDIK-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000770283856 585572383 /nfs/dbraw/zinc/57/23/83/585572383.db2.gz NRSNMEMVDPSDIK-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000770283858 585572496 /nfs/dbraw/zinc/57/24/96/585572496.db2.gz NRSNMEMVDPSDIK-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000770283858 585572497 /nfs/dbraw/zinc/57/24/97/585572497.db2.gz NRSNMEMVDPSDIK-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCC2(C)C)c1[O-] ZINC000775700637 585683317 /nfs/dbraw/zinc/68/33/17/585683317.db2.gz LNKHSOFVKBKYNJ-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc(C[N@H+]2CCC2(C)C)c1[O-] ZINC000775700637 585683318 /nfs/dbraw/zinc/68/33/18/585683318.db2.gz LNKHSOFVKBKYNJ-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]2C(C)C)c1 ZINC000775764983 585684017 /nfs/dbraw/zinc/68/40/17/585684017.db2.gz MLZLEOIBLPUAQR-ZDUSSCGKSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]2C(C)C)c1 ZINC000775764983 585684018 /nfs/dbraw/zinc/68/40/18/585684018.db2.gz MLZLEOIBLPUAQR-ZDUSSCGKSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]1C(C)C ZINC000775765093 585684150 /nfs/dbraw/zinc/68/41/50/585684150.db2.gz NFMXYQWVGQWJFX-GFCCVEGCSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]1C(C)C ZINC000775765093 585684151 /nfs/dbraw/zinc/68/41/51/585684151.db2.gz NFMXYQWVGQWJFX-GFCCVEGCSA-N 0 3 235.327 2.631 20 10 BFCDHN CN(C)c1ccc(CN2CC=CCC2)cc1 ZINC000779160672 585746457 /nfs/dbraw/zinc/74/64/57/585746457.db2.gz ZGRMUHSHASEVIF-UHFFFAOYSA-N 0 3 216.328 2.515 20 10 BFCDHN COCC1(C)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000779605418 585757054 /nfs/dbraw/zinc/75/70/54/585757054.db2.gz CZYCFGJFPHDAIR-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN Cc1cccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783737062 585841622 /nfs/dbraw/zinc/84/16/22/585841622.db2.gz JAUGBVAEWFRYOR-XQQFMLRXSA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1C ZINC000784641619 585864914 /nfs/dbraw/zinc/86/49/14/585864914.db2.gz YWGNKWRMIOSCQD-IUODEOHRSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000793228110 586014625 /nfs/dbraw/zinc/01/46/25/586014625.db2.gz JSAFFBYYYYHOOK-QWRGUYRKSA-N 0 3 205.301 2.683 20 10 BFCDHN CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000793821739 586027549 /nfs/dbraw/zinc/02/75/49/586027549.db2.gz RURXWAXDSFFQMU-CQSZACIVSA-N 0 3 231.339 2.865 20 10 BFCDHN CC[C@@H]1CC[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000793821739 586027550 /nfs/dbraw/zinc/02/75/50/586027550.db2.gz RURXWAXDSFFQMU-CQSZACIVSA-N 0 3 231.339 2.865 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)COC)c1ccc(C)cc1[O-] ZINC000794794360 586049210 /nfs/dbraw/zinc/04/92/10/586049210.db2.gz MJTLFXPLFVPWHF-DGCLKSJQSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H]([NH2+]CC1(O)CCC1)c1ccc(C)cc1[O-] ZINC000794809056 586049370 /nfs/dbraw/zinc/04/93/70/586049370.db2.gz PTVCCZMHJGXCIK-ZDUSSCGKSA-N 0 3 249.354 2.656 20 10 BFCDHN COc1cc(CN2CCC=C(C)C2)c(O)cc1C ZINC000797821865 586132274 /nfs/dbraw/zinc/13/22/74/586132274.db2.gz HOSNFBASBYIGEM-UHFFFAOYSA-N 0 3 247.338 2.861 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c([O-])c1 ZINC000797904886 586133705 /nfs/dbraw/zinc/13/37/05/586133705.db2.gz DHPRDMFBLYOTFD-UONOGXRCSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1[O-] ZINC000797905650 586134096 /nfs/dbraw/zinc/13/40/96/586134096.db2.gz ZGUQRPVRCABTHU-STQMWFEESA-N 0 3 247.338 2.679 20 10 BFCDHN CN(C)c1ccc(OCCN2CCCCC2)cc1 ZINC000798220260 586141398 /nfs/dbraw/zinc/14/13/98/586141398.db2.gz VBMLGKSAVOAMBA-UHFFFAOYSA-N 0 3 248.370 2.617 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H]1C ZINC000798506085 586144326 /nfs/dbraw/zinc/14/43/26/586144326.db2.gz SAVHRRLQOXMMGT-NWDGAFQWSA-N 0 3 249.354 2.927 20 10 BFCDHN CCOc1ccc(C[NH2+]CC[C@H](C)F)c([O-])c1 ZINC000815149123 586670248 /nfs/dbraw/zinc/67/02/48/586670248.db2.gz AOWVUOAQJSOIGM-JTQLQIEISA-N 0 3 241.306 2.629 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816647309 586749103 /nfs/dbraw/zinc/74/91/03/586749103.db2.gz QPNRZCBJTOJPEN-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816647309 586749104 /nfs/dbraw/zinc/74/91/04/586749104.db2.gz QPNRZCBJTOJPEN-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc(O)c(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816647309 586749105 /nfs/dbraw/zinc/74/91/05/586749105.db2.gz QPNRZCBJTOJPEN-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000816649056 586752057 /nfs/dbraw/zinc/75/20/57/586752057.db2.gz SOQLNWKCIMNWKX-QWRGUYRKSA-N 0 3 236.334 2.732 20 10 BFCDHN CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])CCO1 ZINC000817414683 586802829 /nfs/dbraw/zinc/80/28/29/586802829.db2.gz IFAFZWRYFAFGGP-KBPBESRZSA-N 0 3 249.354 2.748 20 10 BFCDHN C[C@@H](NCCc1ccc(N)cc1)c1cncs1 ZINC000817955938 586849951 /nfs/dbraw/zinc/84/99/51/586849951.db2.gz LTLUJWYWWBVTAZ-SNVBAGLBSA-N 0 3 247.367 2.619 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)CN)c1ccc2ccccc2c1[O-] ZINC000817970408 586857341 /nfs/dbraw/zinc/85/73/41/586857341.db2.gz UVEFKXOOGTUENY-WDEREUQCSA-N 0 3 244.338 2.543 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccccc1[O-] ZINC000817972306 586859383 /nfs/dbraw/zinc/85/93/83/586859383.db2.gz VYSDCEHTXKMPKL-SCRDCRAPSA-N 0 3 248.370 2.573 20 10 BFCDHN C[C@@H]([NH2+]C[C@H](C)N)c1ccc2ccccc2c1[O-] ZINC000817973766 586860935 /nfs/dbraw/zinc/86/09/35/586860935.db2.gz WCGXKHIUQKTGJE-WDEREUQCSA-N 0 3 244.338 2.543 20 10 BFCDHN CN(C)c1ccc(CN[C@H]2CC23CC3)cc1F ZINC000818231075 586880759 /nfs/dbraw/zinc/88/07/59/586880759.db2.gz UQYBTVMWUMBQNL-ZDUSSCGKSA-N 0 3 234.318 2.534 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CC23CC3)cc1C ZINC000818229821 586880885 /nfs/dbraw/zinc/88/08/85/586880885.db2.gz DJTHRHURNCRFCY-ZDUSSCGKSA-N 0 3 217.312 2.651 20 10 BFCDHN Cc1cc(O)c(CN2CC3(CC3)C2)cc1C ZINC000824533884 587274239 /nfs/dbraw/zinc/27/42/39/587274239.db2.gz RTGFSVYKPZSWJB-UHFFFAOYSA-N 0 3 217.312 2.605 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]2C2CC2)cc1C ZINC000824650218 587280748 /nfs/dbraw/zinc/28/07/48/587280748.db2.gz KVXXUSJGNUUKAZ-AWEZNQCLSA-N 0 3 231.339 2.993 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]2C2CC2)cc1C ZINC000824650218 587280750 /nfs/dbraw/zinc/28/07/50/587280750.db2.gz KVXXUSJGNUUKAZ-AWEZNQCLSA-N 0 3 231.339 2.993 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824651393 587281059 /nfs/dbraw/zinc/28/10/59/587281059.db2.gz ZWCNKVRJWYLSRQ-ZDUSSCGKSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824651393 587281060 /nfs/dbraw/zinc/28/10/60/587281060.db2.gz ZWCNKVRJWYLSRQ-ZDUSSCGKSA-N 0 3 247.338 2.775 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000827489977 587382909 /nfs/dbraw/zinc/38/29/09/587382909.db2.gz ZLLFBFOZAQSNRJ-CLLJXQQHSA-N 0 3 217.312 2.589 20 10 BFCDHN CN(C)c1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000827506564 587384469 /nfs/dbraw/zinc/38/44/69/587384469.db2.gz ITSNGQKZBCSUMP-CHWSQXEVSA-N 0 3 248.345 2.734 20 10 BFCDHN C[N@H+](CCC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000828062846 587418645 /nfs/dbraw/zinc/41/86/45/587418645.db2.gz SWUCMUCQIYPUPU-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN C[N@@H+](CCC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000828062846 587418647 /nfs/dbraw/zinc/41/86/47/587418647.db2.gz SWUCMUCQIYPUPU-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN CCC1([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000834874506 587769128 /nfs/dbraw/zinc/76/91/28/587769128.db2.gz DZMKDLPWXGJHTG-JTQLQIEISA-N 0 3 205.301 2.985 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000840762917 587920393 /nfs/dbraw/zinc/92/03/93/587920393.db2.gz CDRAUWLGGXWTNN-RWMBFGLXSA-N 0 3 249.354 2.919 20 10 BFCDHN CO[C@@](C)([C@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000840961116 587932218 /nfs/dbraw/zinc/93/22/18/587932218.db2.gz QQXVNVUDZKMBJW-NHYWBVRUSA-N 0 3 249.354 2.685 20 10 BFCDHN CC[N@H+](CCSC)Cc1cc(F)ccc1[O-] ZINC000843437610 588110440 /nfs/dbraw/zinc/11/04/40/588110440.db2.gz PMQKHRSXXLONIT-UHFFFAOYSA-N 0 3 243.347 2.716 20 10 BFCDHN CC[N@@H+](CCSC)Cc1cc(F)ccc1[O-] ZINC000843437610 588110441 /nfs/dbraw/zinc/11/04/41/588110441.db2.gz PMQKHRSXXLONIT-UHFFFAOYSA-N 0 3 243.347 2.716 20 10 BFCDHN Cc1cc(O)c(CN2CCC[C@@H](F)C2)cc1C ZINC000846119936 588257998 /nfs/dbraw/zinc/25/79/98/588257998.db2.gz KNTHHGODQUOSGJ-CYBMUJFWSA-N 0 3 237.318 2.943 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]C2CC=CC2)c1[O-] ZINC000846149787 588258632 /nfs/dbraw/zinc/25/86/32/588258632.db2.gz LZNPGJKPGODFEY-SNVBAGLBSA-N 0 3 233.311 2.770 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000846169037 588259007 /nfs/dbraw/zinc/25/90/07/588259007.db2.gz FJOPMQAXHZJCLG-NXEZZACHSA-N 0 3 241.306 2.800 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCCO1 ZINC000848574371 588399124 /nfs/dbraw/zinc/39/91/24/588399124.db2.gz DEMRPCZCULEWPI-UKRRQHHQSA-N 0 3 249.354 2.830 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2[O-])C1 ZINC000848917896 588420803 /nfs/dbraw/zinc/42/08/03/588420803.db2.gz ZVSQJSKWJLWIJG-OKILXGFUSA-N 0 3 249.354 2.612 20 10 BFCDHN C[C@]1(CC[NH2+]Cc2ccccc2[O-])CC1(F)F ZINC000850380125 588542696 /nfs/dbraw/zinc/54/26/96/588542696.db2.gz BYBSDFKXDZHMDF-LBPRGKRZSA-N 0 3 241.281 2.917 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CC1=CCCC1 ZINC000850396536 588543942 /nfs/dbraw/zinc/54/39/42/588543942.db2.gz XSAXESZHXALIFA-UHFFFAOYSA-N 0 3 233.311 2.601 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000850512958 588555746 /nfs/dbraw/zinc/55/57/46/588555746.db2.gz CDRAUWLGGXWTNN-JHJVBQTASA-N 0 3 249.354 2.919 20 10 BFCDHN CO[C@H](C[N@H+](C)Cc1ccccc1[O-])C1CCC1 ZINC000851840181 588634423 /nfs/dbraw/zinc/63/44/23/588634423.db2.gz BDOKKCUFLDREST-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN CO[C@H](C[N@@H+](C)Cc1ccccc1[O-])C1CCC1 ZINC000851840181 588634424 /nfs/dbraw/zinc/63/44/24/588634424.db2.gz BDOKKCUFLDREST-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000862478667 589216392 /nfs/dbraw/zinc/21/63/92/589216392.db2.gz LVBRFPXERZAUNW-DGCLKSJQSA-N 0 3 219.328 2.979 20 10 BFCDHN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1ccccc1[O-] ZINC000863543705 589297409 /nfs/dbraw/zinc/29/74/09/589297409.db2.gz WFJOJEUFNQTNGG-HZSPNIEDSA-N 0 3 248.370 2.573 20 10 BFCDHN Cc1nocc1CNCc1cc(C)c(C)cc1O ZINC000865679247 589455981 /nfs/dbraw/zinc/45/59/81/589455981.db2.gz ZUDBXUUJCRPYEH-UHFFFAOYSA-N 0 3 246.310 2.595 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1C ZINC000865690282 589456136 /nfs/dbraw/zinc/45/61/36/589456136.db2.gz DUNGLZUPYOFAQE-MBNYWOFBSA-N 0 3 249.354 2.665 20 10 BFCDHN C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000121994953 589546964 /nfs/dbraw/zinc/54/69/64/589546964.db2.gz IVYURVLRGWLSKL-ZYHUDNBSSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000124324452 589976252 /nfs/dbraw/zinc/97/62/52/589976252.db2.gz YIBHKMRTCMNAKC-LLVKDONJSA-N 0 3 236.334 2.876 20 10 BFCDHN CC[C@H]1CO[C@@H](C)CN1Cc1cccc(C)c1O ZINC000124512065 590036835 /nfs/dbraw/zinc/03/68/35/590036835.db2.gz QSMVFYSMZZZXEY-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]1CO[C@H](C)CN1Cc1cccc(C)c1O ZINC000124511664 590037348 /nfs/dbraw/zinc/03/73/48/590037348.db2.gz QSMVFYSMZZZXEY-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CCC(C)CC1 ZINC000876528395 590209081 /nfs/dbraw/zinc/20/90/81/590209081.db2.gz WUJVUIRUAOORAJ-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000876536151 590211300 /nfs/dbraw/zinc/21/13/00/590211300.db2.gz NYZMUJHJZHEBTK-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000876536151 590211302 /nfs/dbraw/zinc/21/13/02/590211302.db2.gz NYZMUJHJZHEBTK-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@](C)(C[N@H+](C)Cc1ccccc1[O-])OC ZINC000876615300 590222473 /nfs/dbraw/zinc/22/24/73/590222473.db2.gz AOUYUFWPDFIMRD-CQSZACIVSA-N 0 3 237.343 2.639 20 10 BFCDHN CC[C@](C)(C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000876615300 590222474 /nfs/dbraw/zinc/22/24/74/590222474.db2.gz AOUYUFWPDFIMRD-CQSZACIVSA-N 0 3 237.343 2.639 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)CC1CC1 ZINC000876622958 590222818 /nfs/dbraw/zinc/22/28/18/590222818.db2.gz RPOSFSZQFNVDES-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1CC1 ZINC000876622958 590222820 /nfs/dbraw/zinc/22/28/20/590222820.db2.gz RPOSFSZQFNVDES-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000876637293 590224368 /nfs/dbraw/zinc/22/43/68/590224368.db2.gz URCUUNCYZPBNNR-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000876637293 590224370 /nfs/dbraw/zinc/22/43/70/590224370.db2.gz URCUUNCYZPBNNR-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOCC[N@H+](CC)Cc1c(C)cccc1[O-] ZINC000876645422 590225885 /nfs/dbraw/zinc/22/58/85/590225885.db2.gz OCPKXHKCAZDDCA-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CCOCC[N@@H+](CC)Cc1c(C)cccc1[O-] ZINC000876645422 590225886 /nfs/dbraw/zinc/22/58/86/590225886.db2.gz OCPKXHKCAZDDCA-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)CC1CCOCC1 ZINC000876720813 590233576 /nfs/dbraw/zinc/23/35/76/590233576.db2.gz JBIOPLAANQNZTD-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1CCOCC1 ZINC000876720813 590233577 /nfs/dbraw/zinc/23/35/77/590233577.db2.gz JBIOPLAANQNZTD-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@H+]2CCSC[C@H]2C)c([O-])c1 ZINC000876737961 590235242 /nfs/dbraw/zinc/23/52/42/590235242.db2.gz XHNCECPKRJMEOS-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCSC[C@H]2C)c([O-])c1 ZINC000876737961 590235243 /nfs/dbraw/zinc/23/52/43/590235243.db2.gz XHNCECPKRJMEOS-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@@H+](C)C2CCC2)c([O-])c1 ZINC000876745262 590235778 /nfs/dbraw/zinc/23/57/78/590235778.db2.gz JICBPELRTYTNMO-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[N@H+](C)C2CCC2)c([O-])c1 ZINC000876745262 590235779 /nfs/dbraw/zinc/23/57/79/590235779.db2.gz JICBPELRTYTNMO-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]1C(C)C ZINC000876878947 590252335 /nfs/dbraw/zinc/25/23/35/590252335.db2.gz LCKAWHPRUUZMPE-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]1C(C)C ZINC000876878947 590252337 /nfs/dbraw/zinc/25/23/37/590252337.db2.gz LCKAWHPRUUZMPE-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCCOC(C)C ZINC000876893765 590255192 /nfs/dbraw/zinc/25/51/92/590255192.db2.gz QTYJQZSDPZGWJE-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CCOCCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876945914 590260090 /nfs/dbraw/zinc/26/00/90/590260090.db2.gz CWFCDZQZCDHKOT-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN Cc1ccc(C[NH2+]CCOC(C)(C)C)c([O-])c1 ZINC000876988051 590263400 /nfs/dbraw/zinc/26/34/00/590263400.db2.gz STDDQIDVRWRGMC-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]C(C2CC2)C2CC2)c([O-])c1 ZINC000876984570 590264903 /nfs/dbraw/zinc/26/49/03/590264903.db2.gz JRXVFDAIGZRQQD-UHFFFAOYSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCOC1CCCC1 ZINC000876985197 590265374 /nfs/dbraw/zinc/26/53/74/590265374.db2.gz WWWQHFWHEHVYPO-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN COCCCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876989922 590265837 /nfs/dbraw/zinc/26/58/37/590265837.db2.gz KNKSVGXCEOXZJA-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN Cc1ccc(C[NH2+]C(C)(C)C2CC2)c([O-])c1 ZINC000877043051 590273242 /nfs/dbraw/zinc/27/32/42/590273242.db2.gz GXVKIEYCKNXNIQ-UHFFFAOYSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+]CCCC2CC2)c([O-])c1 ZINC000877050996 590274759 /nfs/dbraw/zinc/27/47/59/590274759.db2.gz QKYVAIOYRNYNNS-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ccc(C[NH2+]CCC(F)(F)F)c([O-])c1 ZINC000877068101 590277288 /nfs/dbraw/zinc/27/72/88/590277288.db2.gz QSKSMLGEMPXDTB-UHFFFAOYSA-N 0 3 233.233 2.743 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCS1 ZINC000877083796 590280382 /nfs/dbraw/zinc/28/03/82/590280382.db2.gz FIWVKXDWBWFOLB-LLVKDONJSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1(C2CC2)CC1 ZINC000877113240 590287180 /nfs/dbraw/zinc/28/71/80/590287180.db2.gz FEAKPTCDHWBLQL-UHFFFAOYSA-N 0 3 231.339 2.980 20 10 BFCDHN CCC1([NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877161980 590294499 /nfs/dbraw/zinc/29/44/99/590294499.db2.gz CMOPMVNNMXFQLC-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1ccc(CN2CC[C@H](C)[C@@H](F)C2)c(O)c1 ZINC000877164655 590294838 /nfs/dbraw/zinc/29/48/38/590294838.db2.gz BZRHPDGVEDHARR-AAEUAGOBSA-N 0 3 237.318 2.881 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])CC[C@H]1C ZINC000877463151 590332210 /nfs/dbraw/zinc/33/22/10/590332210.db2.gz BZOLXPPOYNBVCG-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC[C@H]1C ZINC000877463151 590332213 /nfs/dbraw/zinc/33/22/13/590332213.db2.gz BZOLXPPOYNBVCG-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@]1(C)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877488184 590338569 /nfs/dbraw/zinc/33/85/69/590338569.db2.gz ZFCRWHZXFPACKR-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877488184 590338572 /nfs/dbraw/zinc/33/85/72/590338572.db2.gz ZFCRWHZXFPACKR-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@]1(C)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877487767 590339250 /nfs/dbraw/zinc/33/92/50/590339250.db2.gz VUHVDURYMCVRJJ-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@]1(C)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877487767 590339253 /nfs/dbraw/zinc/33/92/53/590339253.db2.gz VUHVDURYMCVRJJ-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[NH+]2CC(C(C)C)C2)c([O-])c1 ZINC000877488203 590339343 /nfs/dbraw/zinc/33/93/43/590339343.db2.gz ZKKRYMSRXNIAKH-UHFFFAOYSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CSC2(C)C)c([O-])c1 ZINC000877504634 590343093 /nfs/dbraw/zinc/34/30/93/590343093.db2.gz OHUDIXPGXVUTMD-GFCCVEGCSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C)c([O-])c1 ZINC000877524496 590347244 /nfs/dbraw/zinc/34/72/44/590347244.db2.gz XPCTYIQWSKKIMO-JQWIXIFHSA-N 0 3 205.301 2.589 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CCC23CCC3)c1[O-] ZINC000877526121 590347990 /nfs/dbraw/zinc/34/79/90/590347990.db2.gz PUSHAAKQMVELEE-ZDUSSCGKSA-N 0 3 247.338 2.823 20 10 BFCDHN CC[C@H]1CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877547624 590354774 /nfs/dbraw/zinc/35/47/74/590354774.db2.gz DASKEWPHJDTBIM-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@H]1CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877547624 590354775 /nfs/dbraw/zinc/35/47/75/590354775.db2.gz DASKEWPHJDTBIM-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2ccnc(C)c2)c([O-])c1 ZINC000877558369 590358744 /nfs/dbraw/zinc/35/87/44/590358744.db2.gz FVDRVBHPQKMCKP-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CS[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877562928 590360097 /nfs/dbraw/zinc/36/00/97/590360097.db2.gz FEONRQVCGPEFNE-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877562928 590360100 /nfs/dbraw/zinc/36/01/00/590360100.db2.gz FEONRQVCGPEFNE-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000877565847 590360393 /nfs/dbraw/zinc/36/03/93/590360393.db2.gz RZCODHYVKLFCET-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000877565847 590360396 /nfs/dbraw/zinc/36/03/96/590360396.db2.gz RZCODHYVKLFCET-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]([C@H](C)[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877573012 590362845 /nfs/dbraw/zinc/36/28/45/590362845.db2.gz MVVKRABCDDQVGR-NHYWBVRUSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)c([O-])c1 ZINC000877587661 590367596 /nfs/dbraw/zinc/36/75/96/590367596.db2.gz FUYIICINCDSTNN-PWSUYJOCSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000877590302 590369305 /nfs/dbraw/zinc/36/93/05/590369305.db2.gz YNKOISKRKDONTQ-SCRDCRAPSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)COCC2CC2)c([O-])c1 ZINC000877613252 590373401 /nfs/dbraw/zinc/37/34/01/590373401.db2.gz BXYZGQSYRZBPDZ-LBPRGKRZSA-N 0 3 249.354 2.605 20 10 BFCDHN COC1(C[N@@H+]2Cc3cccc([O-])c3C2)CCCC1 ZINC000877703084 590395420 /nfs/dbraw/zinc/39/54/20/590395420.db2.gz QTNUFYHBSWZREC-UHFFFAOYSA-N 0 3 247.338 2.667 20 10 BFCDHN COC1(C[N@H+]2Cc3cccc([O-])c3C2)CCCC1 ZINC000877703084 590395423 /nfs/dbraw/zinc/39/54/23/590395423.db2.gz QTNUFYHBSWZREC-UHFFFAOYSA-N 0 3 247.338 2.667 20 10 BFCDHN CC[C@H](C)[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703163 590395939 /nfs/dbraw/zinc/39/59/39/590395939.db2.gz UGIBWTHRTLIYAD-XHDPSFHLSA-N 0 3 249.354 2.769 20 10 BFCDHN CC[C@H](C)[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703163 590395942 /nfs/dbraw/zinc/39/59/42/590395942.db2.gz UGIBWTHRTLIYAD-XHDPSFHLSA-N 0 3 249.354 2.769 20 10 BFCDHN CN(C)c1ccc(CN2CC(C)(C)C2)cc1 ZINC000877717670 590399975 /nfs/dbraw/zinc/39/99/75/590399975.db2.gz OUKBMEHYOCUOCM-UHFFFAOYSA-N 0 3 218.344 2.594 20 10 BFCDHN CS[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755852 590417717 /nfs/dbraw/zinc/41/77/17/590417717.db2.gz ONOGOZSJBCOHLR-XWIASGKRSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1[O-] ZINC000877758010 590417866 /nfs/dbraw/zinc/41/78/66/590417866.db2.gz CSMURPJNVXDXEH-NWDGAFQWSA-N 0 3 235.327 2.612 20 10 BFCDHN CS[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755850 590417874 /nfs/dbraw/zinc/41/78/74/590417874.db2.gz ONOGOZSJBCOHLR-CDMKHQONSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1[O-] ZINC000877755875 590418166 /nfs/dbraw/zinc/41/81/66/590418166.db2.gz PVXXIYGJWZOBRI-FOGDFJRCSA-N 0 3 237.368 2.794 20 10 BFCDHN CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC000877755944 590418251 /nfs/dbraw/zinc/41/82/51/590418251.db2.gz UPKAOULDGYYTFF-UTUOFQBUSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CO1 ZINC000877758343 590418405 /nfs/dbraw/zinc/41/84/05/590418405.db2.gz UPKAOULDGYYTFF-TUAOUCFPSA-N 0 3 235.327 2.610 20 10 BFCDHN CS[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758238 590418617 /nfs/dbraw/zinc/41/86/17/590418617.db2.gz ONOGOZSJBCOHLR-GAFUQQFSSA-N 0 3 237.368 2.937 20 10 BFCDHN CCO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000879650114 590842485 /nfs/dbraw/zinc/84/24/85/590842485.db2.gz JEENJCDPBMKXCA-XHDPSFHLSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@H]1C[C@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000883262958 591600032 /nfs/dbraw/zinc/60/00/32/591600032.db2.gz BQZUKHBWOLPOTH-MQMHXKEQSA-N 0 3 249.354 2.524 20 10 BFCDHN CC[C@H](C)[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132516470 591714595 /nfs/dbraw/zinc/71/45/95/591714595.db2.gz LULGDNPGNDTXAX-JTQLQIEISA-N 0 3 223.316 2.631 20 10 BFCDHN CC[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132516470 591714599 /nfs/dbraw/zinc/71/45/99/591714599.db2.gz LULGDNPGNDTXAX-JTQLQIEISA-N 0 3 223.316 2.631 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000132751669 591735175 /nfs/dbraw/zinc/73/51/75/591735175.db2.gz RKAWZRQJVURBGJ-RYUDHWBXSA-N 0 3 219.328 2.788 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000135186085 591994703 /nfs/dbraw/zinc/99/47/03/591994703.db2.gz OWMNCZZKMLECQD-CMPLNLGQSA-N 0 3 235.327 2.679 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000310344658 631392526 /nfs/dbraw/zinc/39/25/26/631392526.db2.gz OWPDZLOTLDSINK-NEPJUHHUSA-N 0 3 249.379 2.865 20 10 BFCDHN C[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1[O-] ZINC000308689788 631523089 /nfs/dbraw/zinc/52/30/89/631523089.db2.gz GFZBKHCZYQONMV-LLVKDONJSA-N 0 3 237.343 2.858 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CC=CC1)CC2 ZINC000309525339 632469050 /nfs/dbraw/zinc/46/90/50/632469050.db2.gz UVLDHBIFQIDLEF-LBPRGKRZSA-N 0 3 215.296 2.688 20 10 BFCDHN C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310555357 632755295 /nfs/dbraw/zinc/75/52/95/632755295.db2.gz IANFTUHSTXPXIP-ZMLRMANQSA-N 0 3 249.379 2.863 20 10 BFCDHN C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310555356 632756642 /nfs/dbraw/zinc/75/66/42/632756642.db2.gz IANFTUHSTXPXIP-WCQGTBRESA-N 0 3 249.379 2.863 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1[O-] ZINC000163986826 633068462 /nfs/dbraw/zinc/06/84/62/633068462.db2.gz AMOGWOBMOBGJQZ-QWRGUYRKSA-N 0 3 237.368 2.938 20 10 BFCDHN C[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1[O-] ZINC000167193951 633126429 /nfs/dbraw/zinc/12/64/29/633126429.db2.gz MQIUCSAZBIMKEJ-MRVPVSSYSA-N 0 3 233.233 2.823 20 10 BFCDHN COc1cc(Cl)cc(CN[C@@H](C)CF)c1O ZINC000309715715 633231210 /nfs/dbraw/zinc/23/12/10/633231210.db2.gz SUDIZBLLALFEQG-ZETCQYMHSA-N 0 3 247.697 2.502 20 10 BFCDHN CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000309311524 633897001 /nfs/dbraw/zinc/89/70/01/633897001.db2.gz CBEJTXKULZVUKU-CHWSQXEVSA-N 0 3 219.328 2.916 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCC1CC1)CC2 ZINC000296708572 634215005 /nfs/dbraw/zinc/21/50/05/634215005.db2.gz IDBOVNGOVCELEN-GFCCVEGCSA-N 0 3 217.312 2.769 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCS1 ZINC000226615124 635438060 /nfs/dbraw/zinc/43/80/60/635438060.db2.gz RTFFZPRLVVSWQR-LLVKDONJSA-N 0 3 241.331 2.517 20 10 BFCDHN C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565681 640775755 /nfs/dbraw/zinc/77/57/55/640775755.db2.gz IVZMTYOUYJYNAJ-ZJUUUORDSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565681 640775760 /nfs/dbraw/zinc/77/57/60/640775760.db2.gz IVZMTYOUYJYNAJ-ZJUUUORDSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@H](Cc1ccco1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226583934 640778527 /nfs/dbraw/zinc/77/85/27/640778527.db2.gz XUJRBVJQRYYWTM-SNVBAGLBSA-N 0 3 249.285 2.845 20 10 BFCDHN C[C@H](NCc1cc(F)ccc1O)c1ccccn1 ZINC000226582231 640778582 /nfs/dbraw/zinc/77/85/82/640778582.db2.gz DKACLAXWXLSLCK-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN COC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168824538 640828352 /nfs/dbraw/zinc/82/83/52/640828352.db2.gz HDXUQDOBPVFKRD-SECBINFHSA-N 0 3 241.306 2.607 20 10 BFCDHN CCC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000228793140 640895273 /nfs/dbraw/zinc/89/52/73/640895273.db2.gz LFBVPLSBHXFHHE-RISCZKNCSA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1[O-] ZINC000087667549 640963955 /nfs/dbraw/zinc/96/39/55/640963955.db2.gz YMHFCQUMVGRTHP-MNOVXSKESA-N 0 3 237.368 2.938 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1C=CCCC1 ZINC000171926528 641021929 /nfs/dbraw/zinc/02/19/29/641021929.db2.gz PGYNBLUJGCILSS-ZDUSSCGKSA-N 0 3 217.312 2.933 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1C=CCCC1 ZINC000171926528 641021935 /nfs/dbraw/zinc/02/19/35/641021935.db2.gz PGYNBLUJGCILSS-ZDUSSCGKSA-N 0 3 217.312 2.933 20 10 BFCDHN C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000230406106 641051471 /nfs/dbraw/zinc/05/14/71/641051471.db2.gz CTKHLNMSDBWQQG-RYUDHWBXSA-N 0 3 219.328 2.918 20 10 BFCDHN Cc1cc(O)c(CN2C[C@H](C)OC[C@@H]2C)cc1C ZINC000045723090 641616778 /nfs/dbraw/zinc/61/67/78/641616778.db2.gz MLISERKPYUDFGN-STQMWFEESA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1[O-] ZINC000228790091 641688504 /nfs/dbraw/zinc/68/85/04/641688504.db2.gz CMHGRIPQVGLQHB-AXFHLTTASA-N 0 3 205.301 2.699 20 10 BFCDHN CCOc1ccc(C[NH2+]C[C@H]2CC2(C)C)c([O-])c1 ZINC000732821222 641872144 /nfs/dbraw/zinc/87/21/44/641872144.db2.gz YLCNRZRBZBRIMB-GFCCVEGCSA-N 0 3 249.354 2.927 20 10 BFCDHN Cc1cncc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183631690 643149694 /nfs/dbraw/zinc/14/96/94/643149694.db2.gz XMYSGNWWTBKQJB-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000922512041 644009899 /nfs/dbraw/zinc/00/98/99/644009899.db2.gz RDKRPDAPXIQNKV-HNCHTBHHSA-N 0 3 247.338 2.535 20 10 BFCDHN COC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000086682466 644164425 /nfs/dbraw/zinc/16/44/25/644164425.db2.gz AZUSQQPJWSJVSE-AAEUAGOBSA-N 0 3 237.343 2.714 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923028072 644236422 /nfs/dbraw/zinc/23/64/22/644236422.db2.gz SOEYKPBZHPLRQS-AWEZNQCLSA-N 0 3 247.338 2.584 20 10 BFCDHN Cc1cc(C)c(O)c(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000246714641 644602095 /nfs/dbraw/zinc/60/20/95/644602095.db2.gz NMBDLMBAEFYBME-OLZOCXBDSA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccccc1[O-] ZINC000094797039 644729349 /nfs/dbraw/zinc/72/93/49/644729349.db2.gz WFZFTBFZDJWAEU-FZMZJTMJSA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000252818007 644911936 /nfs/dbraw/zinc/91/19/36/644911936.db2.gz YXTNPMSEJCIXSN-JHJVBQTASA-N 0 3 249.354 2.655 20 10 BFCDHN C[C@H](F)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000380316496 711670880 /nfs/dbraw/zinc/67/08/80/711670880.db2.gz JAZJJUYPCAPHBS-UWVGGRQHSA-N 0 3 211.280 2.791 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])[C@H](C)O ZINC000386879459 711821110 /nfs/dbraw/zinc/82/11/10/711821110.db2.gz LXPZKLAARLNRIS-MDZLAQPJSA-N 0 3 237.343 2.511 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CCSC1 ZINC000704918492 712121451 /nfs/dbraw/zinc/12/14/51/712121451.db2.gz KJMNIFFVUNYNPC-NSHDSACASA-N 0 3 237.368 2.625 20 10 BFCDHN C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000709715030 712216698 /nfs/dbraw/zinc/21/66/98/712216698.db2.gz MQKMDAXIHLDCJX-CMPLNLGQSA-N 0 3 237.368 2.766 20 10 BFCDHN CC1(C)SC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000390633829 712422848 /nfs/dbraw/zinc/42/28/48/712422848.db2.gz LLWFUMLBZBNHFL-NSHDSACASA-N 0 3 241.331 2.515 20 10 BFCDHN C/C=C/C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000384897717 712704316 /nfs/dbraw/zinc/70/43/16/712704316.db2.gz MUGOXIKBIBZNGL-ZWNMCFTASA-N 0 3 205.301 2.927 20 10 BFCDHN CC1(C)CC([NH2+]Cc2ccccc2[O-])C1 ZINC000380362732 712897810 /nfs/dbraw/zinc/89/78/10/712897810.db2.gz ZGGYNWYBJDOSIE-UHFFFAOYSA-N 0 3 205.301 2.670 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C1(C2CC2)CC1 ZINC000381548806 710655051 /nfs/dbraw/zinc/65/50/51/710655051.db2.gz LQCCELSCVMTPIJ-UHFFFAOYSA-N 0 3 221.275 2.564 20 10 BFCDHN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000381632696 710664561 /nfs/dbraw/zinc/66/45/61/710664561.db2.gz RYCZXKJKUXULRP-GZMMTYOYSA-N 0 3 241.331 2.515 20 10 BFCDHN COCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000381660106 710668821 /nfs/dbraw/zinc/66/88/21/710668821.db2.gz FYIYYKWPJRCSTK-VIFPVBQESA-N 0 3 243.734 2.651 20 10 BFCDHN CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000388267786 711056189 /nfs/dbraw/zinc/05/61/89/711056189.db2.gz DIDTWKHXNARCIC-PGUXBMHVSA-N 0 3 249.354 2.856 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000393512237 711162002 /nfs/dbraw/zinc/16/20/02/711162002.db2.gz UVYFBPKDDPBIBR-WXHSDQCUSA-N 0 3 217.312 2.670 20 10 BFCDHN C/C=C/C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000395202198 711205583 /nfs/dbraw/zinc/20/55/83/711205583.db2.gz GHAKWEMBLBHCIH-NWALNABHSA-N 0 3 209.264 2.758 20 10 BFCDHN CC(C)OCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000396489420 711221034 /nfs/dbraw/zinc/22/10/34/711221034.db2.gz PZQSWRTUVMIEDI-UHFFFAOYSA-N 0 3 237.343 2.685 20 10 BFCDHN C/C=C/C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000384919344 711000342 /nfs/dbraw/zinc/00/03/42/711000342.db2.gz QYMVZQSYUXLNBD-VUDBWIFFSA-N 0 3 203.285 2.545 20 10 BFCDHN CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CO1 ZINC000396531683 711222284 /nfs/dbraw/zinc/22/22/84/711222284.db2.gz KYCQWDILGZLLIF-NWDGAFQWSA-N 0 3 247.338 2.537 20 10 BFCDHN Cc1cc(C)c(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000397005570 711374698 /nfs/dbraw/zinc/37/46/98/711374698.db2.gz GNXHOSPLBGNCLQ-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CC[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccccc1[O-] ZINC000397856534 711394486 /nfs/dbraw/zinc/39/44/86/711394486.db2.gz MNELYMZFLIARDN-CYBMUJFWSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1[O-] ZINC000397888221 711395425 /nfs/dbraw/zinc/39/54/25/711395425.db2.gz ONNWCARMJGEYKP-GMTAPVOTSA-N 0 3 237.368 2.937 20 10 BFCDHN COc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1[O-] ZINC000399634109 711433000 /nfs/dbraw/zinc/43/30/00/711433000.db2.gz WFOPWMJPUPKXOB-QJPTWQEYSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1[O-] ZINC000399634109 711433001 /nfs/dbraw/zinc/43/30/01/711433001.db2.gz WFOPWMJPUPKXOB-QJPTWQEYSA-N 0 3 249.354 2.877 20 10 BFCDHN CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccccc1[O-] ZINC000386339318 711515309 /nfs/dbraw/zinc/51/53/09/711515309.db2.gz NLRNYECLUNCJLA-ZFWWWQNUSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000724015522 711556531 /nfs/dbraw/zinc/55/65/31/711556531.db2.gz VIFGBFUYRPUYKQ-KBPBESRZSA-N 0 3 249.354 2.687 20 10 BFCDHN CCOC1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000386499284 711571849 /nfs/dbraw/zinc/57/18/49/711571849.db2.gz KYNZPMSGIINJFL-UHFFFAOYSA-N 0 3 249.354 2.831 20 10 BFCDHN Cc1ccc(C[NH2+]CCC(C)C)c([O-])c1 ZINC000083345243 711825608 /nfs/dbraw/zinc/82/56/08/711825608.db2.gz KHLCUSXEZBETQJ-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN Cc1cccc(CN2CCC[C@@H](F)C2)c1O ZINC000701674093 712026913 /nfs/dbraw/zinc/02/69/13/712026913.db2.gz OOVXANFXZISIJE-GFCCVEGCSA-N 0 3 223.291 2.635 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701936782 712032662 /nfs/dbraw/zinc/03/26/62/712032662.db2.gz PFGZMUQJFCYZCJ-VIFPVBQESA-N 0 3 245.244 2.666 20 10 BFCDHN CC1([NH2+]Cc2cc(F)ccc2[O-])CC=CC1 ZINC000702101177 712039011 /nfs/dbraw/zinc/03/90/11/712039011.db2.gz BKCXBFSYEKGSBL-UHFFFAOYSA-N 0 3 221.275 2.730 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CCC1(F)CCC1 ZINC000702507360 712052946 /nfs/dbraw/zinc/05/29/46/712052946.db2.gz UBQZTLVUCRLPMM-UHFFFAOYSA-N 0 3 241.281 2.903 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCC2CC(O)C2)c([O-])c1 ZINC000702443982 712053699 /nfs/dbraw/zinc/05/36/99/712053699.db2.gz WLUPBGSKYFUMEK-PNESKVBLSA-N 0 3 249.354 2.512 20 10 BFCDHN C[C@@H](F)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000702619537 712056679 /nfs/dbraw/zinc/05/66/79/712056679.db2.gz OWVNMZSLMYZIJQ-KOLCDFICSA-N 0 3 223.291 2.717 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c([O-])c1 ZINC000710163084 712246828 /nfs/dbraw/zinc/24/68/28/712246828.db2.gz WGNJTXAVQLOGOE-NWDGAFQWSA-N 0 3 249.354 2.512 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC12CC2)c1cc(F)ccc1[O-] ZINC000715321195 712521057 /nfs/dbraw/zinc/52/10/57/712521057.db2.gz OULOCLSPDRVBEC-UFBFGSQYSA-N 0 3 221.275 2.734 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)c([O-])c1 ZINC000715322912 712521081 /nfs/dbraw/zinc/52/10/81/712521081.db2.gz QYXYNHQVASOZFW-GXFFZTMASA-N 0 3 217.312 2.904 20 10 BFCDHN C[C@H](NCc1ccccc1O)c1ccns1 ZINC000716032994 712547132 /nfs/dbraw/zinc/54/71/32/712547132.db2.gz HIMSNSIABQPCNL-VIFPVBQESA-N 0 3 234.324 2.700 20 10 BFCDHN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000716576405 712564128 /nfs/dbraw/zinc/56/41/28/712564128.db2.gz ILTBUASZWYBMBQ-ZZVYKPCYSA-N 0 3 231.339 2.774 20 10 BFCDHN CCC[C@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000716872038 712579507 /nfs/dbraw/zinc/57/95/07/712579507.db2.gz LKSPJTQDLZNBGY-CHWSQXEVSA-N 0 3 249.354 2.520 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCC=CO1)CC2 ZINC000380008686 712669618 /nfs/dbraw/zinc/66/96/18/712669618.db2.gz FVIDJXMFHRTRRI-CHWSQXEVSA-N 0 3 245.322 2.662 20 10 BFCDHN CC(C)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000159196566 712722986 /nfs/dbraw/zinc/72/29/86/712722986.db2.gz AOEMGMIRPRVDKX-LBPRGKRZSA-N 0 3 219.328 2.870 20 10 BFCDHN CC(C)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000159196566 712722987 /nfs/dbraw/zinc/72/29/87/712722987.db2.gz AOEMGMIRPRVDKX-LBPRGKRZSA-N 0 3 219.328 2.870 20 10 BFCDHN CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000718742682 712779627 /nfs/dbraw/zinc/77/96/27/712779627.db2.gz ZGOWWVNRCLAVRC-KBPBESRZSA-N 0 3 249.354 2.830 20 10 BFCDHN CC[N@H+](Cc1cc(F)cc(C)c1[O-])C1CC1 ZINC001238057244 980132666 /nfs/dbraw/zinc/13/26/66/980132666.db2.gz JQWUGJJLCNAHCB-UHFFFAOYSA-N 0 3 223.291 2.824 20 10 BFCDHN CC[N@@H+](Cc1cc(F)cc(C)c1[O-])C1CC1 ZINC001238057244 980132669 /nfs/dbraw/zinc/13/26/69/980132669.db2.gz JQWUGJJLCNAHCB-UHFFFAOYSA-N 0 3 223.291 2.824 20 10 BFCDHN CC[C@@H](C)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201516509 983315654 /nfs/dbraw/zinc/31/56/54/983315654.db2.gz ZTJYETCOGFLFJB-LLVKDONJSA-N 0 3 219.328 2.796 20 10 BFCDHN CC[C@@H](C)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001201516509 983315658 /nfs/dbraw/zinc/31/56/58/983315658.db2.gz ZTJYETCOGFLFJB-LLVKDONJSA-N 0 3 219.328 2.796 20 10 BFCDHN CCOCC[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001172429537 974703072 /nfs/dbraw/zinc/70/30/72/974703072.db2.gz AKWZANMXPZWGIE-GFCCVEGCSA-N 0 3 237.343 2.639 20 10 BFCDHN CCOCC[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001172429537 974703079 /nfs/dbraw/zinc/70/30/79/974703079.db2.gz AKWZANMXPZWGIE-GFCCVEGCSA-N 0 3 237.343 2.639 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403630941 970997386 /nfs/dbraw/zinc/99/73/86/970997386.db2.gz FDAQXSHJWUQKGQ-WCFLWFBJSA-N 0 3 217.312 2.670 20 10 BFCDHN CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccccc1[O-] ZINC000403817774 971069352 /nfs/dbraw/zinc/06/93/52/971069352.db2.gz LBQONEZMWGVNFR-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccccc1[O-] ZINC000403817774 971069365 /nfs/dbraw/zinc/06/93/65/971069365.db2.gz LBQONEZMWGVNFR-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@H]1CN(Cc2cccc(C)c2O)[C@H](C)CO1 ZINC000403847878 971073858 /nfs/dbraw/zinc/07/38/58/971073858.db2.gz FPUXDTVOTSECEF-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)[C@@H](C)CO1 ZINC000403890851 971083984 /nfs/dbraw/zinc/08/39/84/971083984.db2.gz RBNNVWOQTYFVOB-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])C[C@@H]21 ZINC001170724427 971653416 /nfs/dbraw/zinc/65/34/16/971653416.db2.gz JSXHIKPNUXWWPX-LMKPVCQUSA-N 0 3 247.338 2.622 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccccc1[O-] ZINC000316763167 972293385 /nfs/dbraw/zinc/29/33/85/972293385.db2.gz NMUFNFODOOCCNN-UKRRQHHQSA-N 0 3 249.354 2.594 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000693285706 958183323 /nfs/dbraw/zinc/18/33/23/958183323.db2.gz RBVLKZCWTKIHDZ-FZMZJTMJSA-N 0 3 235.302 2.954 20 10 BFCDHN CC(=O)[C@@H]1CCCCN1Cc1cc(C)ccc1O ZINC001140623402 960466442 /nfs/dbraw/zinc/46/64/42/960466442.db2.gz QLLCOEQJBVSHGS-AWEZNQCLSA-N 0 3 247.338 2.644 20 10 BFCDHN C[C@H]([NH2+][C@H]1C[C@H]2C[C@H]2C1)c1ccccc1[O-] ZINC001167901884 961636373 /nfs/dbraw/zinc/63/63/73/961636373.db2.gz IBNKCDPJUQCARX-NNYUYHANSA-N 0 3 217.312 2.841 20 10 BFCDHN Cc1ccc(CC[NH2+]Cc2ccccc2[O-])o1 ZINC000689822909 964269350 /nfs/dbraw/zinc/26/93/50/964269350.db2.gz MKYDOLDYAAKJDT-UHFFFAOYSA-N 0 3 231.295 2.626 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C=CCC1)CC2 ZINC000698268845 965171299 /nfs/dbraw/zinc/17/12/99/965171299.db2.gz ZOOFGUGAUTXHFQ-NWDGAFQWSA-N 0 3 215.296 2.688 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC001203546951 966677363 /nfs/dbraw/zinc/67/73/63/966677363.db2.gz CUQDXSLGKSGJKF-UHFFFAOYSA-N 0 3 227.254 2.622 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC001203546951 966677374 /nfs/dbraw/zinc/67/73/74/966677374.db2.gz CUQDXSLGKSGJKF-UHFFFAOYSA-N 0 3 227.254 2.622 20 10 BFCDHN C[C@H]1C[C@@H](CF)[N@H+](Cc2ccccc2[O-])C1 ZINC001203550025 966677505 /nfs/dbraw/zinc/67/75/05/966677505.db2.gz FPRFPHTVZYMRRN-JQWIXIFHSA-N 0 3 223.291 2.572 20 10 BFCDHN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550025 966677513 /nfs/dbraw/zinc/67/75/13/966677513.db2.gz FPRFPHTVZYMRRN-JQWIXIFHSA-N 0 3 223.291 2.572 20 10 BFCDHN CCc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000692110498 966764638 /nfs/dbraw/zinc/76/46/38/966764638.db2.gz XWKVFRJXWPABRX-TXEJJXNPSA-N 0 3 249.354 2.564 20 10 BFCDHN CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204281110 966960695 /nfs/dbraw/zinc/96/06/95/966960695.db2.gz QZSIRMZEIMQMSE-CYBMUJFWSA-N 0 3 235.327 2.718 20 10 BFCDHN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204281110 966960698 /nfs/dbraw/zinc/96/06/98/966960698.db2.gz QZSIRMZEIMQMSE-CYBMUJFWSA-N 0 3 235.327 2.718 20 10 BFCDHN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(O)cc2[O-])C1 ZINC001204278266 966961860 /nfs/dbraw/zinc/96/18/60/966961860.db2.gz CLGBEENNXPTUJT-GHMZBOCLSA-N 0 3 235.327 2.576 20 10 BFCDHN C[C@H]([NH2+][C@H]1C=CCC1)c1ccccc1[O-] ZINC000698334314 968337703 /nfs/dbraw/zinc/33/77/03/968337703.db2.gz VMIUVLVXRIBSOA-QWRGUYRKSA-N 0 3 203.285 2.761 20 10 BFCDHN CCCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001252111365 968596163 /nfs/dbraw/zinc/59/61/63/968596163.db2.gz STAYKAXDRHKMIQ-NEPJUHHUSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCCO1 ZINC001207960750 968960437 /nfs/dbraw/zinc/96/04/37/968960437.db2.gz UZDQGHGBRVVGTL-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCCO1 ZINC001207960750 968960440 /nfs/dbraw/zinc/96/04/40/968960440.db2.gz UZDQGHGBRVVGTL-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN CCc1cc(Nc2cccc(C)c2O)ccn1 ZINC001210187368 969822752 /nfs/dbraw/zinc/82/27/52/969822752.db2.gz AVLVLDBGCZVYCU-UHFFFAOYSA-N 0 3 228.295 2.824 20 10 BFCDHN CC[C@@H]([NH2+]C1(C)CC1)c1ccccc1[O-] ZINC001255176260 969992217 /nfs/dbraw/zinc/99/22/17/969992217.db2.gz UGSGRCPQDJMWND-LLVKDONJSA-N 0 3 205.301 2.985 20 10 BFCDHN Cc1ccc(CN[C@H](C)c2ccccc2O)nc1 ZINC000400829297 970634555 /nfs/dbraw/zinc/63/45/55/970634555.db2.gz FBLRQHJLTCBXIQ-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])nc1 ZINC000400829297 970634558 /nfs/dbraw/zinc/63/45/58/970634558.db2.gz FBLRQHJLTCBXIQ-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cnccc1Nc1cc(F)cc(C)c1O ZINC001174539560 976827545 /nfs/dbraw/zinc/82/75/45/976827545.db2.gz LYTPQCBJIREHFR-UHFFFAOYSA-N 0 3 232.258 2.709 20 10 BFCDHN Cc1cc(C)c(CN2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001231842633 977764877 /nfs/dbraw/zinc/76/48/77/977764877.db2.gz VVSYQXCYDZMLCT-STQMWFEESA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])[C@@H](C)C1 ZINC001204279169 978943171 /nfs/dbraw/zinc/94/31/71/978943171.db2.gz RZXWBVZXTYYDSS-QWRGUYRKSA-N 0 3 235.327 2.718 20 10 BFCDHN C[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])[C@@H](C)C1 ZINC001204279169 978943177 /nfs/dbraw/zinc/94/31/77/978943177.db2.gz RZXWBVZXTYYDSS-QWRGUYRKSA-N 0 3 235.327 2.718 20 10 BFCDHN COc1cc(C)c(C[NH2+]C2CC=CC2)c([O-])c1 ZINC001182733645 979626961 /nfs/dbraw/zinc/62/69/61/979626961.db2.gz CEHXZFYFBXIFRK-UHFFFAOYSA-N 0 3 233.311 2.517 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001236786222 979728880 /nfs/dbraw/zinc/72/88/80/979728880.db2.gz NBMRGZRWCHHHRB-UHFFFAOYSA-N 0 3 231.339 2.941 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001236786222 979728892 /nfs/dbraw/zinc/72/88/92/979728892.db2.gz NBMRGZRWCHHHRB-UHFFFAOYSA-N 0 3 231.339 2.941 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC001236783686 979730361 /nfs/dbraw/zinc/73/03/61/979730361.db2.gz OGKFTWITWYFKIS-GFCCVEGCSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC001236783686 979730371 /nfs/dbraw/zinc/73/03/71/979730371.db2.gz OGKFTWITWYFKIS-GFCCVEGCSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[NH+]2CCC(OC)CC2)c([O-])c1 ZINC001236784678 979730533 /nfs/dbraw/zinc/73/05/33/979730533.db2.gz YELLBBCCTKLDBB-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001236792890 979739270 /nfs/dbraw/zinc/73/92/70/979739270.db2.gz TXBRFHWDJFHXHO-ZSOGYDGISA-N 0 3 249.329 2.602 20 10 BFCDHN CCc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001236792890 979739272 /nfs/dbraw/zinc/73/92/72/979739272.db2.gz TXBRFHWDJFHXHO-ZSOGYDGISA-N 0 3 249.329 2.602 20 10 BFCDHN COc1cc(C)c(C[NH+]2CCC(C)CC2)c([O-])c1 ZINC001236818261 979745766 /nfs/dbraw/zinc/74/57/66/979745766.db2.gz KBXGVIXSQCNTIR-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001237050734 979811088 /nfs/dbraw/zinc/81/10/88/979811088.db2.gz WLSNAUGCIKJFSY-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001237050734 979811095 /nfs/dbraw/zinc/81/10/95/979811095.db2.gz WLSNAUGCIKJFSY-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COC[C@@H]1CC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237051983 979811533 /nfs/dbraw/zinc/81/15/33/979811533.db2.gz SCLKUFVTOGJYIW-AWEZNQCLSA-N 0 3 249.354 2.736 20 10 BFCDHN COC[C@@H]1CC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237051983 979811535 /nfs/dbraw/zinc/81/15/35/979811535.db2.gz SCLKUFVTOGJYIW-AWEZNQCLSA-N 0 3 249.354 2.736 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CCCC23CC3)c1[O-] ZINC001238058251 980132434 /nfs/dbraw/zinc/13/24/34/980132434.db2.gz POMSMXRDSBOAOM-UHFFFAOYSA-N 0 3 235.302 2.968 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CCCC23CC3)c1[O-] ZINC001238058251 980132435 /nfs/dbraw/zinc/13/24/35/980132435.db2.gz POMSMXRDSBOAOM-UHFFFAOYSA-N 0 3 235.302 2.968 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1[O-] ZINC001238071062 980138308 /nfs/dbraw/zinc/13/83/08/980138308.db2.gz RKEYTUDVROBICT-GXFFZTMASA-N 0 3 235.302 2.824 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1[O-] ZINC001238071062 980138315 /nfs/dbraw/zinc/13/83/15/980138315.db2.gz RKEYTUDVROBICT-GXFFZTMASA-N 0 3 235.302 2.824 20 10 BFCDHN CC[C@H](C)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201516511 983313557 /nfs/dbraw/zinc/31/35/57/983313557.db2.gz ZTJYETCOGFLFJB-NSHDSACASA-N 0 3 219.328 2.796 20 10 BFCDHN CC[C@H](C)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001201516511 983313563 /nfs/dbraw/zinc/31/35/63/983313563.db2.gz ZTJYETCOGFLFJB-NSHDSACASA-N 0 3 219.328 2.796 20 10 BFCDHN CSCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201696705 983408640 /nfs/dbraw/zinc/40/86/40/983408640.db2.gz NXJNGBCIYXLFLJ-UHFFFAOYSA-N 0 3 237.368 2.503 20 10 BFCDHN CSCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001201696705 983408642 /nfs/dbraw/zinc/40/86/42/983408642.db2.gz NXJNGBCIYXLFLJ-UHFFFAOYSA-N 0 3 237.368 2.503 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000877607775 983957013 /nfs/dbraw/zinc/95/70/13/983957013.db2.gz LLGRKOPXPZWAFA-FPMFFAJLSA-N 0 3 231.339 2.979 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCSC1 ZINC001257682425 985271035 /nfs/dbraw/zinc/27/10/35/985271035.db2.gz YPSWMCFSEFXACP-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCSC1 ZINC001257682425 985271042 /nfs/dbraw/zinc/27/10/42/985271042.db2.gz YPSWMCFSEFXACP-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1[O-] ZINC000688275442 985596978 /nfs/dbraw/zinc/59/69/78/985596978.db2.gz YGOASSFQCNEASK-RYUDHWBXSA-N 0 3 247.338 2.754 20 10 BFCDHN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC000688440586 985637504 /nfs/dbraw/zinc/63/75/04/985637504.db2.gz UPKAOULDGYYTFF-IJLUTSLNSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@H](CC1CC1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001258469738 985933119 /nfs/dbraw/zinc/93/31/19/985933119.db2.gz ATTDBDPEPWPLPF-LLVKDONJSA-N 0 3 231.339 2.939 20 10 BFCDHN C[C@H](CC1CC1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001258469738 985933137 /nfs/dbraw/zinc/93/31/37/985933137.db2.gz ATTDBDPEPWPLPF-LLVKDONJSA-N 0 3 231.339 2.939 20 10 BFCDHN Cc1cc(C)c(CN(C)Cc2ccccc2O)[nH]1 ZINC001137331289 986794115 /nfs/dbraw/zinc/79/41/15/986794115.db2.gz YJPMPYQVCBOEDS-UHFFFAOYSA-N 0 3 244.338 2.969 20 10 BFCDHN Cc1cc(C)c(C[N@@H+](C)Cc2ccccc2[O-])[nH]1 ZINC001137331289 986794125 /nfs/dbraw/zinc/79/41/25/986794125.db2.gz YJPMPYQVCBOEDS-UHFFFAOYSA-N 0 3 244.338 2.969 20 10 BFCDHN Cc1cc(C)c(C[N@H+](C)Cc2ccccc2[O-])[nH]1 ZINC001137331289 986794140 /nfs/dbraw/zinc/79/41/40/986794140.db2.gz YJPMPYQVCBOEDS-UHFFFAOYSA-N 0 3 244.338 2.969 20 10 BFCDHN Nc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC001120371920 989646884 /nfs/dbraw/zinc/64/68/84/989646884.db2.gz VFMVIMIPHSAOBH-QWHCGFSZSA-N 0 3 222.307 2.639 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140059966 991509524 /nfs/dbraw/zinc/50/95/24/991509524.db2.gz DDILSERQHLQSPL-SKDRFNHKSA-N 0 3 221.275 2.516 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140059966 991509534 /nfs/dbraw/zinc/50/95/34/991509534.db2.gz DDILSERQHLQSPL-SKDRFNHKSA-N 0 3 221.275 2.516 20 10 BFCDHN C[C@H]1C[C@@H](CF)N(Cc2cc(F)ccc2O)C1 ZINC001140058442 991511980 /nfs/dbraw/zinc/51/19/80/991511980.db2.gz ZBUQSXBQYWCZRD-CABZTGNLSA-N 0 3 241.281 2.711 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]2C2CC2)c([O-])c1 ZINC001560843596 991621534 /nfs/dbraw/zinc/62/15/34/991621534.db2.gz DQRSBHMVRADMRB-CQSZACIVSA-N 0 3 247.338 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]2C2CC2)c([O-])c1 ZINC001560843596 991621542 /nfs/dbraw/zinc/62/15/42/991621542.db2.gz DQRSBHMVRADMRB-CQSZACIVSA-N 0 3 247.338 2.694 20 10 BFCDHN CCC1(C)C[NH+](Cc2cc(C)ccc2[O-])C1 ZINC000297493047 398145770 /nfs/dbraw/zinc/14/57/70/398145770.db2.gz VIOJICWNXRCKEB-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN C[C@H](CCCCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296252031 398209246 /nfs/dbraw/zinc/20/92/46/398209246.db2.gz CXZCRDJTFWEMKQ-DGCLKSJQSA-N 0 3 249.354 2.520 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCOC2)cc1C ZINC000237761521 178196767 /nfs/dbraw/zinc/19/67/67/178196767.db2.gz JCMWSUJXDHTZOI-CYBMUJFWSA-N 0 3 249.354 2.525 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1C ZINC000266144679 178197125 /nfs/dbraw/zinc/19/71/25/178197125.db2.gz IIXCNJUYFWYLBY-STQMWFEESA-N 0 3 249.354 2.524 20 10 BFCDHN CCOc1cccc(C[NH2+]C[C@@H]2C[C@H]2C)c1[O-] ZINC000134228280 398242357 /nfs/dbraw/zinc/24/23/57/398242357.db2.gz PMAMWEHZEKBVBH-PWSUYJOCSA-N 0 3 235.327 2.537 20 10 BFCDHN CCC(CC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582150 168389760 /nfs/dbraw/zinc/38/97/60/168389760.db2.gz QYLFBTFPYIYLCK-UHFFFAOYSA-N 0 3 211.280 2.810 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C(C)C ZINC000132564446 398307249 /nfs/dbraw/zinc/30/72/49/398307249.db2.gz LJKZUAASYZTWBV-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C(C)C ZINC000132564446 398307250 /nfs/dbraw/zinc/30/72/50/398307250.db2.gz LJKZUAASYZTWBV-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccccc1[O-] ZINC000128220059 398339805 /nfs/dbraw/zinc/33/98/05/398339805.db2.gz OVQWBYLTXNYZFZ-YUTCNCBUSA-N 0 3 249.354 2.592 20 10 BFCDHN CCCCOCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297972280 344015474 /nfs/dbraw/zinc/01/54/74/344015474.db2.gz ZWLHZFSUFMRSTP-CYBMUJFWSA-N 0 3 249.354 2.786 20 10 BFCDHN CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019960002 342964623 /nfs/dbraw/zinc/96/46/23/342964623.db2.gz PIZNCZPIFFVWHE-STQMWFEESA-N 0 3 248.370 2.527 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2(C)COC2)c([O-])c1C ZINC000273370100 187336589 /nfs/dbraw/zinc/33/65/89/187336589.db2.gz CHBJJDLBPKHXLX-LBPRGKRZSA-N 0 3 249.354 2.696 20 10 BFCDHN CCN(C)c1ccc([C@@H](C)NCCF)cc1 ZINC000280928114 187241094 /nfs/dbraw/zinc/24/10/94/187241094.db2.gz FFFCYWTYJBPOAT-LLVKDONJSA-N 0 3 224.323 2.763 20 10 BFCDHN CCN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000038097911 343370885 /nfs/dbraw/zinc/37/08/85/343370885.db2.gz ZDLAIEDJZLRYIB-GFCCVEGCSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296429156 136376028 /nfs/dbraw/zinc/37/60/28/136376028.db2.gz LTSDTFGOGKMPAT-QWRGUYRKSA-N 0 3 237.343 2.592 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)CCCO)c1ccccc1[O-] ZINC000094942501 344332135 /nfs/dbraw/zinc/33/21/35/344332135.db2.gz VPHLCVDQYBEGBH-WCQYABFASA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1[O-] ZINC000045116134 344559959 /nfs/dbraw/zinc/55/99/59/344559959.db2.gz AJBGOEKGELMKLZ-BXKDBHETSA-N 0 3 205.301 2.841 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042815142 178803048 /nfs/dbraw/zinc/80/30/48/178803048.db2.gz CRRXXCCUHCKQHK-STQMWFEESA-N 0 3 249.354 2.920 20 10 BFCDHN CC(C)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000179564595 187308255 /nfs/dbraw/zinc/30/82/55/187308255.db2.gz OVMKPCQYSHDUST-UHFFFAOYSA-N 0 3 205.301 2.765 20 10 BFCDHN CC(C)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000179564595 187308257 /nfs/dbraw/zinc/30/82/57/187308257.db2.gz OVMKPCQYSHDUST-UHFFFAOYSA-N 0 3 205.301 2.765 20 10 BFCDHN C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186506637 187312243 /nfs/dbraw/zinc/31/22/43/187312243.db2.gz CFMWKXSKJADVCF-DRHCNIFCSA-N 0 3 249.354 2.678 20 10 BFCDHN Cc1cccc(CN(C)Cc2cccnc2)c1O ZINC000182031584 179067312 /nfs/dbraw/zinc/06/73/12/179067312.db2.gz WTYOVTAKYQHYQU-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN Cc1cccc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000162820099 179081240 /nfs/dbraw/zinc/08/12/40/179081240.db2.gz YHSLIBMTTBWANZ-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000162820099 179081243 /nfs/dbraw/zinc/08/12/43/179081243.db2.gz YHSLIBMTTBWANZ-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC000162819278 179075441 /nfs/dbraw/zinc/07/54/41/179075441.db2.gz TYRXCUNUIALVRJ-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC000162819278 179075443 /nfs/dbraw/zinc/07/54/43/179075443.db2.gz TYRXCUNUIALVRJ-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc(C[NH2+]CCC2CC2)c1[O-] ZINC000162869058 179089569 /nfs/dbraw/zinc/08/95/69/179089569.db2.gz WWUIUEZIKMILEL-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1[O-] ZINC000162862559 179101890 /nfs/dbraw/zinc/10/18/90/179101890.db2.gz KLRIMTGQHFHPIQ-MFKMUULPSA-N 0 3 219.328 2.979 20 10 BFCDHN COC1(C[NH2+]Cc2cccc(C)c2[O-])CCCC1 ZINC000296054976 188269462 /nfs/dbraw/zinc/26/94/62/188269462.db2.gz OYODFCIKOLBOKI-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])c1nccs1 ZINC000230694211 353522586 /nfs/dbraw/zinc/52/25/86/353522586.db2.gz FSUDOCKAMORYJC-JTQLQIEISA-N 0 3 248.351 2.742 20 10 BFCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])c1nccs1 ZINC000230694215 353522758 /nfs/dbraw/zinc/52/27/58/353522758.db2.gz FSUDOCKAMORYJC-SNVBAGLBSA-N 0 3 248.351 2.742 20 10 BFCDHN CC(C)=CC[NH2+]Cc1cccc(C)c1[O-] ZINC000191614874 355752490 /nfs/dbraw/zinc/75/24/90/355752490.db2.gz KSCSQPUOSFSTDO-UHFFFAOYSA-N 0 3 205.301 2.756 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC=CCC1 ZINC000226610866 183274517 /nfs/dbraw/zinc/27/45/17/183274517.db2.gz ONWBBBCRFZZZKJ-LBPRGKRZSA-N 0 3 221.275 2.730 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000180162314 183274784 /nfs/dbraw/zinc/27/47/84/183274784.db2.gz ODXFONZPXFCAFS-QWRGUYRKSA-N 0 3 235.302 2.763 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1CCCCCC1 ZINC000183295649 183274827 /nfs/dbraw/zinc/27/48/27/183274827.db2.gz OWUXLJGHUWKZLS-UHFFFAOYSA-N 0 3 223.291 2.907 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccccc1 ZINC000083374046 183275550 /nfs/dbraw/zinc/27/55/50/183275550.db2.gz MDLKNXOBMWLMSO-UHFFFAOYSA-N 0 3 245.297 2.864 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCCCC1 ZINC000083352748 183275717 /nfs/dbraw/zinc/27/57/17/183275717.db2.gz UWMIFBJXWZCBIO-UHFFFAOYSA-N 0 3 223.291 2.954 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC1)CC2 ZINC000257868945 183296742 /nfs/dbraw/zinc/29/67/42/183296742.db2.gz QDUWMPZYBJFDGE-LLVKDONJSA-N 0 3 203.285 2.522 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1CCC1)CC2 ZINC000295784974 183297360 /nfs/dbraw/zinc/29/73/60/183297360.db2.gz BDLSUCMSRZVDOF-GFCCVEGCSA-N 0 3 217.312 2.769 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCSC1)CC2 ZINC000296604480 183297489 /nfs/dbraw/zinc/29/74/89/183297489.db2.gz XZVHXZUJVVARAZ-PWSUYJOCSA-N 0 3 249.379 2.722 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000045628689 183303262 /nfs/dbraw/zinc/30/32/62/183303262.db2.gz OXWHMKMOZQGPJK-GFCCVEGCSA-N 0 3 217.312 2.838 20 10 BFCDHN Oc1ccccc1CNCc1ccc(F)cc1F ZINC000051016573 183303616 /nfs/dbraw/zinc/30/36/16/183303616.db2.gz IIVBSHRFUHGYHH-UHFFFAOYSA-N 0 3 249.260 2.960 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCc1cccc(F)c1 ZINC000036778762 183304116 /nfs/dbraw/zinc/30/41/16/183304116.db2.gz JGRJHWAOIDFZSZ-UHFFFAOYSA-N 0 3 245.297 2.864 20 10 BFCDHN CCCOc1ccc(C[NH2+]CC(C)C)c([O-])c1 ZINC000062727411 169318809 /nfs/dbraw/zinc/31/88/09/169318809.db2.gz XTFBEUVMBJDNPH-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN CCC[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000293801350 169385904 /nfs/dbraw/zinc/38/59/04/169385904.db2.gz YGZYOXSRZWPSFR-RYUDHWBXSA-N 0 3 237.343 2.858 20 10 BFCDHN CCC[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000293801345 169386175 /nfs/dbraw/zinc/38/61/75/169386175.db2.gz YGZYOXSRZWPSFR-NEPJUHHUSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1[O-] ZINC000037267102 383969062 /nfs/dbraw/zinc/96/90/62/383969062.db2.gz XRBVOGBLORCCBH-CQSZACIVSA-N 0 3 248.370 2.527 20 10 BFCDHN CSCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000068997515 384026647 /nfs/dbraw/zinc/02/66/47/384026647.db2.gz XZNDEWLPBMHOJR-UHFFFAOYSA-N 0 3 225.357 2.543 20 10 BFCDHN CC[C@H]([NH2+]CCCCCO)c1ccccc1[O-] ZINC000090730266 384069758 /nfs/dbraw/zinc/06/97/58/384069758.db2.gz GZUZSBSCGAGTSG-ZDUSSCGKSA-N 0 3 237.343 2.596 20 10 BFCDHN Cc1noc(C)c1CN[C@H](C)c1ccccc1O ZINC000092329457 384174321 /nfs/dbraw/zinc/17/43/21/384174321.db2.gz PZTDVOYXPSTNLE-SECBINFHSA-N 0 3 246.310 2.848 20 10 BFCDHN Cc1ccc(O)c(CN[C@@H](C)c2ccccn2)c1 ZINC000071406378 384165705 /nfs/dbraw/zinc/16/57/05/384165705.db2.gz PNCVHEFARKLLJV-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCCOC(C)C)c1 ZINC000071406780 384166189 /nfs/dbraw/zinc/16/61/89/384166189.db2.gz ZECWBTOOQNQESF-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CC[C@@H](COC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618291 384308459 /nfs/dbraw/zinc/30/84/59/384308459.db2.gz XOJNAQDMZUIUJI-KOLCDFICSA-N 0 3 241.306 2.607 20 10 BFCDHN COC(C)(C)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000135216321 384425688 /nfs/dbraw/zinc/42/56/88/384425688.db2.gz DPOYGGRBHAEFKN-NSHDSACASA-N 0 3 237.343 2.685 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+](C)CC2CC2)c1 ZINC000122943681 384522251 /nfs/dbraw/zinc/52/22/51/384522251.db2.gz MQZJDIDVJDROIU-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+](C)CC2CC2)c1 ZINC000122943681 384522255 /nfs/dbraw/zinc/52/22/55/384522255.db2.gz MQZJDIDVJDROIU-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1cccc(C[NH2+]C2(C)CCC2)c1[O-] ZINC000159920943 384540193 /nfs/dbraw/zinc/54/01/93/384540193.db2.gz PYWJCGPZKQJCER-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000128117569 384997436 /nfs/dbraw/zinc/99/74/36/384997436.db2.gz ILBPRQMPLHTOKQ-BPNCWPANSA-N 0 3 249.354 2.511 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000128194532 385010929 /nfs/dbraw/zinc/01/09/29/385010929.db2.gz TWEULQCQIHMUIK-BPNCWPANSA-N 0 3 249.354 2.511 20 10 BFCDHN CCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111332 385074377 /nfs/dbraw/zinc/07/43/77/385074377.db2.gz MEKIGASVRXEBSQ-SECBINFHSA-N 0 3 211.280 2.982 20 10 BFCDHN C[C@H]([NH2+]CC1CCC1)c1cc(F)ccc1[O-] ZINC000087111355 385075331 /nfs/dbraw/zinc/07/53/31/385075331.db2.gz KJHWJQYCYOURKH-VIFPVBQESA-N 0 3 223.291 2.982 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(F)ccc1[O-] ZINC000087111370 385075572 /nfs/dbraw/zinc/07/55/72/385075572.db2.gz SCAXDURHSOMVBS-RKDXNWHRSA-N 0 3 223.291 2.980 20 10 BFCDHN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000191647255 385312321 /nfs/dbraw/zinc/31/23/21/385312321.db2.gz OIMCEVOMGOQBEY-TUAOUCFPSA-N 0 3 237.343 2.775 20 10 BFCDHN CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000168770116 385385418 /nfs/dbraw/zinc/38/54/18/385385418.db2.gz UBBVBJWRRSSREL-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN CSC1(C[NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000193652697 385407314 /nfs/dbraw/zinc/40/73/14/385407314.db2.gz VXGDPHONESHVEP-UHFFFAOYSA-N 0 3 237.368 2.686 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272827754 385475710 /nfs/dbraw/zinc/47/57/10/385475710.db2.gz HBQISUXOPIGBMH-AGIUHOORSA-N 0 3 249.354 2.858 20 10 BFCDHN CC(C)CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179586276 385476617 /nfs/dbraw/zinc/47/66/17/385476617.db2.gz PIEMXAAAKZTRSB-CQSZACIVSA-N 0 3 249.354 2.639 20 10 BFCDHN CC(C)CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179586276 385476619 /nfs/dbraw/zinc/47/66/19/385476619.db2.gz PIEMXAAAKZTRSB-CQSZACIVSA-N 0 3 249.354 2.639 20 10 BFCDHN COC[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180198622 385510891 /nfs/dbraw/zinc/51/08/91/385510891.db2.gz QLBYTECHKOATGQ-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180198622 385510893 /nfs/dbraw/zinc/51/08/93/385510893.db2.gz QLBYTECHKOATGQ-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CCC[C@@H]1CN(Cc2cccc(C)c2O)CCO1 ZINC000180318685 385520360 /nfs/dbraw/zinc/52/03/60/385520360.db2.gz MIQYPEZKCPXMMD-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1C[N@H+](Cc2cccc(C)c2[O-])CCCO1 ZINC000281271059 385653047 /nfs/dbraw/zinc/65/30/47/385653047.db2.gz NTHUAFKMMRTBDA-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])CCCO1 ZINC000281271059 385653050 /nfs/dbraw/zinc/65/30/50/385653050.db2.gz NTHUAFKMMRTBDA-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCSC1)c1cc(F)ccc1[O-] ZINC000230667734 385748064 /nfs/dbraw/zinc/74/80/64/385748064.db2.gz NPQNOCDZCNDPEJ-WPRPVWTQSA-N 0 3 241.331 2.687 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)c([O-])c1 ZINC000230667655 385748181 /nfs/dbraw/zinc/74/81/81/385748181.db2.gz TYZQCZARBWVOOQ-GHMZBOCLSA-N 0 3 237.368 2.857 20 10 BFCDHN COC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000186153982 385749928 /nfs/dbraw/zinc/74/99/28/385749928.db2.gz QNXACFIYIGEHPC-FZMZJTMJSA-N 0 3 249.354 2.776 20 10 BFCDHN COC[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000186153436 385750414 /nfs/dbraw/zinc/75/04/14/385750414.db2.gz MLTOBJXQLSVOIA-RISCZKNCSA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cnn(C)c1 ZINC000272883958 385945181 /nfs/dbraw/zinc/94/51/81/385945181.db2.gz RBERXKMICJQNGB-QWRGUYRKSA-N 0 3 245.326 2.538 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000273496223 386007055 /nfs/dbraw/zinc/00/70/55/386007055.db2.gz PFVOWQOLHOLORU-AGIUHOORSA-N 0 3 249.354 2.919 20 10 BFCDHN CCC1(C)C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC000297518802 386261811 /nfs/dbraw/zinc/26/18/11/386261811.db2.gz XZRPGWGFCXKQPP-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000289943189 386373956 /nfs/dbraw/zinc/37/39/56/386373956.db2.gz WXCPZIQKDMMSDD-NEPJUHHUSA-N 0 3 237.343 2.522 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000278375689 386516867 /nfs/dbraw/zinc/51/68/67/386516867.db2.gz CCYIBHOMERBGBI-SGMGOOAPSA-N 0 3 249.354 2.776 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H]2CC)c1[O-] ZINC000292876449 386743689 /nfs/dbraw/zinc/74/36/89/386743689.db2.gz XAEGDYLOAYIKCY-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@@H]2CC)c1[O-] ZINC000292876449 386743692 /nfs/dbraw/zinc/74/36/92/386743692.db2.gz XAEGDYLOAYIKCY-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H]([NH2+]CC1(C)COC1)c1ccc(C)cc1[O-] ZINC000280082843 386774270 /nfs/dbraw/zinc/77/42/70/386774270.db2.gz LVISFSWFRKDAEP-ZDUSSCGKSA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CC2)c([O-])c1 ZINC000284231737 387168417 /nfs/dbraw/zinc/16/84/17/387168417.db2.gz UQTONVVVPNOVJU-SNVBAGLBSA-N 0 3 205.301 2.822 20 10 BFCDHN Cc1cc(C)c([C@H](C)NCCF)c(O)c1 ZINC000285059805 387248819 /nfs/dbraw/zinc/24/88/19/387248819.db2.gz IUAVIWDHKPPRHI-JTQLQIEISA-N 0 3 211.280 2.629 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]CCF)c([O-])c1 ZINC000285059805 387248823 /nfs/dbraw/zinc/24/88/23/387248823.db2.gz IUAVIWDHKPPRHI-JTQLQIEISA-N 0 3 211.280 2.629 20 10 BFCDHN CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000119241634 387552797 /nfs/dbraw/zinc/55/27/97/387552797.db2.gz MOOOZLOWLHOLDT-YPMHNXCESA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000527930222 387795103 /nfs/dbraw/zinc/79/51/03/387795103.db2.gz QUBNXOKIBJFQPV-STQMWFEESA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H]([NH2+]CC12CC(C1)CO2)c1ccccc1[O-] ZINC000527983871 387802553 /nfs/dbraw/zinc/80/25/53/387802553.db2.gz VMNVPCFOPNIBSI-QRJNDHJOSA-N 0 3 247.338 2.612 20 10 BFCDHN CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168772401 387802613 /nfs/dbraw/zinc/80/26/13/387802613.db2.gz YQPXXLLCUBGGLL-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC23CC(C2)CO3)c([O-])c1 ZINC000527977568 387817713 /nfs/dbraw/zinc/81/77/13/387817713.db2.gz GMGRXTRTARPIHG-BZUNDVKYSA-N 0 3 247.338 2.530 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1[O-] ZINC000163973130 388116849 /nfs/dbraw/zinc/11/68/49/388116849.db2.gz CMHGRIPQVGLQHB-GARJFASQSA-N 0 3 205.301 2.699 20 10 BFCDHN CSC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163981798 388119997 /nfs/dbraw/zinc/11/99/97/388119997.db2.gz MWRDGMBBLXJMQK-UWVGGRQHSA-N 0 3 225.357 2.794 20 10 BFCDHN CCC[C@H](C[NH2+]Cc1cc(C)ccc1[O-])OC ZINC000293649967 388356325 /nfs/dbraw/zinc/35/63/25/388356325.db2.gz KJZGURKWGBIVRY-CYBMUJFWSA-N 0 3 237.343 2.605 20 10 BFCDHN CO[C@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000291381566 388375495 /nfs/dbraw/zinc/37/54/95/388375495.db2.gz ZKACYCGNTQBBAL-XHDPSFHLSA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccccc1[O-] ZINC000293581617 388390177 /nfs/dbraw/zinc/39/01/77/388390177.db2.gz CAHUWESOVMYKCM-ZFWWWQNUSA-N 0 3 249.354 2.858 20 10 BFCDHN CC(F)(F)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000294164103 388394829 /nfs/dbraw/zinc/39/48/29/388394829.db2.gz IRKZQKIQKBHYJL-UHFFFAOYSA-N 0 3 233.233 2.666 20 10 BFCDHN CCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296066627 388416718 /nfs/dbraw/zinc/41/67/18/388416718.db2.gz RXEQTMZXOWTBLP-LLVKDONJSA-N 0 3 205.301 2.769 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000296371797 388422759 /nfs/dbraw/zinc/42/27/59/388422759.db2.gz JFTNRJGTWRUPLK-GXFFZTMASA-N 0 3 235.327 2.610 20 10 BFCDHN CCOc1cccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1[O-] ZINC000211545226 398045317 /nfs/dbraw/zinc/04/53/17/398045317.db2.gz VRVKHEIZSQZVMS-VXGBXAGGSA-N 0 3 249.354 2.879 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038044676 398024696 /nfs/dbraw/zinc/02/46/96/398024696.db2.gz HQGDJVIVIIYMPZ-OLZOCXBDSA-N 0 3 249.354 2.778 20 10 BFCDHN CN(C)c1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000293190863 398114352 /nfs/dbraw/zinc/11/43/52/398114352.db2.gz WLKQXQVOOGZNHG-CQSZACIVSA-N 0 3 236.334 2.687 20 10 BFCDHN CC(C)OCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000020198004 167222294 /nfs/dbraw/zinc/22/22/94/167222294.db2.gz ABVPKSOLHHBNJU-GFCCVEGCSA-N 0 3 237.343 2.858 20 10 BFCDHN CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000284450863 411218224 /nfs/dbraw/zinc/21/82/24/411218224.db2.gz SLQXVAYYRQLKOB-LBPRGKRZSA-N 0 3 205.301 2.670 20 10 BFCDHN CC1(CC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000280712278 168020107 /nfs/dbraw/zinc/02/01/07/168020107.db2.gz XGZWPTMWONWQEF-UHFFFAOYSA-N 0 3 223.291 2.811 20 10 BFCDHN CC1=CC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000285014555 168120039 /nfs/dbraw/zinc/12/00/39/168120039.db2.gz HHBUNORLZWWORP-ZDUSSCGKSA-N 0 3 217.312 2.981 20 10 BFCDHN CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019436023 170169430 /nfs/dbraw/zinc/16/94/30/170169430.db2.gz XTCWDZATTRZSMS-ZJUUUORDSA-N 0 3 205.301 2.858 20 10 BFCDHN CCOCC[N@H+](CC)Cc1cc(C)ccc1[O-] ZINC000156021657 170394613 /nfs/dbraw/zinc/39/46/13/170394613.db2.gz UHUOCXRAWONZFQ-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CCOCC[N@@H+](CC)Cc1cc(C)ccc1[O-] ZINC000156021657 170394614 /nfs/dbraw/zinc/39/46/14/170394614.db2.gz UHUOCXRAWONZFQ-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CC[C@@]1(C)CN(Cc2cc(C)ccc2O)CCO1 ZINC000191152588 171202359 /nfs/dbraw/zinc/20/23/59/171202359.db2.gz OOABTLPDGXEVCY-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000042554473 171390005 /nfs/dbraw/zinc/39/00/05/171390005.db2.gz SNTNIZBAWHNGMS-QWRGUYRKSA-N 0 3 237.343 2.925 20 10 BFCDHN COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000083941619 174384654 /nfs/dbraw/zinc/38/46/54/174384654.db2.gz IHJPHASCZXEYNS-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000071205855 175159472 /nfs/dbraw/zinc/15/94/72/175159472.db2.gz YWCSBSBMMJXXRB-GWCFXTLKSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000035733193 175159909 /nfs/dbraw/zinc/15/99/09/175159909.db2.gz JNQCFBLXGJVSPW-ZJUUUORDSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC2)c1 ZINC000052207155 175160290 /nfs/dbraw/zinc/16/02/90/175160290.db2.gz AJFKLZMRZNLUGS-VIFPVBQESA-N 0 3 221.300 2.604 20 10 BFCDHN COc1cccc(C[N@H+](C(C)C)C2CC2)c1[O-] ZINC000121349453 175253766 /nfs/dbraw/zinc/25/37/66/175253766.db2.gz GZGLDIFALPXNPC-UHFFFAOYSA-N 0 3 235.327 2.774 20 10 BFCDHN COc1cccc(C[N@@H+](C(C)C)C2CC2)c1[O-] ZINC000121349453 175253768 /nfs/dbraw/zinc/25/37/68/175253768.db2.gz GZGLDIFALPXNPC-UHFFFAOYSA-N 0 3 235.327 2.774 20 10 BFCDHN COc1cccc(C[NH2+][C@H](C)CC(C)C)c1[O-] ZINC000037264278 175266707 /nfs/dbraw/zinc/26/67/07/175266707.db2.gz PYHHYOGFJMFHLX-LLVKDONJSA-N 0 3 237.343 2.925 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1[O-] ZINC000131229531 175267638 /nfs/dbraw/zinc/26/76/38/175267638.db2.gz KENNYHDDEGDQKU-JQWIXIFHSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1[O-] ZINC000131229306 175267830 /nfs/dbraw/zinc/26/78/30/175267830.db2.gz KENNYHDDEGDQKU-PWSUYJOCSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000062183902 176101342 /nfs/dbraw/zinc/10/13/42/176101342.db2.gz CCVRFMYNNAZIOO-LLVKDONJSA-N 0 3 205.301 2.624 20 10 BFCDHN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000062183902 176101344 /nfs/dbraw/zinc/10/13/44/176101344.db2.gz CCVRFMYNNAZIOO-LLVKDONJSA-N 0 3 205.301 2.624 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296746636 176378966 /nfs/dbraw/zinc/37/89/66/176378966.db2.gz JPXLOUCSVGQYRA-KGYLQXTDSA-N 0 3 247.338 2.537 20 10 BFCDHN C[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000028221932 177077279 /nfs/dbraw/zinc/07/72/79/177077279.db2.gz HPRSNHFUBIKBQG-NSHDSACASA-N 0 3 205.301 2.767 20 10 BFCDHN C[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000028221932 177077281 /nfs/dbraw/zinc/07/72/81/177077281.db2.gz HPRSNHFUBIKBQG-NSHDSACASA-N 0 3 205.301 2.767 20 10 BFCDHN COc1ccc(CNCCOCC2CC2)cc1C ZINC000224525683 323097512 /nfs/dbraw/zinc/09/75/12/323097512.db2.gz IOJUKESBHAZLFO-UHFFFAOYSA-N 0 3 249.354 2.520 20 10 BFCDHN CS[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000295059400 566388503 /nfs/dbraw/zinc/38/85/03/566388503.db2.gz OCXMSGHPEHACKG-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000295059400 566388507 /nfs/dbraw/zinc/38/85/07/566388507.db2.gz OCXMSGHPEHACKG-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3C[C@H]3C1)CCC2 ZINC000853576000 588749448 /nfs/dbraw/zinc/74/94/48/588749448.db2.gz BUZZHPPMLRXZDL-KBPBESRZSA-N 0 3 243.350 2.723 20 10 BFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3C[C@H]3C1)CCC2 ZINC000853576000 588749449 /nfs/dbraw/zinc/74/94/49/588749449.db2.gz BUZZHPPMLRXZDL-KBPBESRZSA-N 0 3 243.350 2.723 20 10 BFCDHN C[C@H](NCc1cccc(F)n1)c1ccccc1O ZINC000783518261 582958111 /nfs/dbraw/zinc/95/81/11/582958111.db2.gz KHICUSCYKWINED-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2C)c1[O-] ZINC000894247374 583390636 /nfs/dbraw/zinc/39/06/36/583390636.db2.gz RDZQPQXALBMASQ-AAEUAGOBSA-N 0 3 249.354 2.987 20 10 BFCDHN CCc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000894862203 583535225 /nfs/dbraw/zinc/53/52/25/583535225.db2.gz UAYFZEGFMLSFSF-MNOVXSKESA-N 0 3 219.328 2.795 20 10 BFCDHN CCc1cccc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000894862203 583535226 /nfs/dbraw/zinc/53/52/26/583535226.db2.gz UAYFZEGFMLSFSF-MNOVXSKESA-N 0 3 219.328 2.795 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000894862041 583535613 /nfs/dbraw/zinc/53/56/13/583535613.db2.gz SJKJLKCYNFNQQX-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000894862041 583535614 /nfs/dbraw/zinc/53/56/14/583535614.db2.gz SJKJLKCYNFNQQX-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN CCOc1ccc(C[N@H+](C)CCCF)c([O-])c1 ZINC000895897850 583741228 /nfs/dbraw/zinc/74/12/28/583741228.db2.gz FVVYBDCNEFJYAN-UHFFFAOYSA-N 0 3 241.306 2.582 20 10 BFCDHN CCOc1ccc(C[N@@H+](C)CCCF)c([O-])c1 ZINC000895897850 583741229 /nfs/dbraw/zinc/74/12/29/583741229.db2.gz FVVYBDCNEFJYAN-UHFFFAOYSA-N 0 3 241.306 2.582 20 10 BFCDHN C/C=C\CNCc1ccc(N(C)C)c(F)c1 ZINC000858291167 588942424 /nfs/dbraw/zinc/94/24/24/588942424.db2.gz PJETVPKRNWIAEA-PLNGDYQASA-N 0 3 222.307 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897959464 584067466 /nfs/dbraw/zinc/06/74/66/584067466.db2.gz TYBDLHOYOAVSGM-OUCADQQQSA-N 0 3 231.339 2.979 20 10 BFCDHN C[C@@H](Cc1cccnc1)[NH2+]Cc1ccccc1[O-] ZINC000897969289 584069868 /nfs/dbraw/zinc/06/98/68/584069868.db2.gz IHNMKLSQHBULKF-LBPRGKRZSA-N 0 3 242.322 2.508 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000898111754 584083860 /nfs/dbraw/zinc/08/38/60/584083860.db2.gz GVIRDLYOJXDVDY-AWEZNQCLSA-N 0 3 247.338 2.584 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccccc1[O-] ZINC000898197908 584097793 /nfs/dbraw/zinc/09/77/93/584097793.db2.gz KQQAIAVEAUUPGA-ZIAGYGMSSA-N 0 3 249.354 2.594 20 10 BFCDHN CSCC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000898305379 584109221 /nfs/dbraw/zinc/10/92/21/584109221.db2.gz AMOIJHVNEORPBV-UHFFFAOYSA-N 0 3 243.347 2.763 20 10 BFCDHN Cl/C=C\CNCc1ccc2c(c1)CCCO2 ZINC000898427640 584132391 /nfs/dbraw/zinc/13/23/91/584132391.db2.gz KFWBXCJHKRQLSU-KXFIGUGUSA-N 0 3 237.730 2.854 20 10 BFCDHN CN(C)c1ccc(CNC/C=C\Cl)cc1F ZINC000898436012 584136326 /nfs/dbraw/zinc/13/63/26/584136326.db2.gz PEYVABHVEBYBLK-UTCJRWHESA-N 0 3 242.725 2.734 20 10 BFCDHN CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000903393304 584756502 /nfs/dbraw/zinc/75/65/02/584756502.db2.gz KHZYUHHJJJJZQQ-UBHSHLNASA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c([O-])c1C ZINC000903396922 584757597 /nfs/dbraw/zinc/75/75/97/584757597.db2.gz URDDSJMCKZRYKL-VHRBIJSZSA-N 0 3 249.354 2.695 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818229665 584995553 /nfs/dbraw/zinc/99/55/53/584995553.db2.gz AAWNLZYSOHZHOB-QWHCGFSZSA-N 0 3 217.312 2.670 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000840818098 585090198 /nfs/dbraw/zinc/09/01/98/585090198.db2.gz NXFPLFZRCJRVCR-QKCSRTOESA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1cccc(CN2CC3(CC(F)C3)C2)c1O ZINC000839140490 585094617 /nfs/dbraw/zinc/09/46/17/585094617.db2.gz RAXGRAGIICMKAG-UHFFFAOYSA-N 0 3 235.302 2.635 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000839186884 585097144 /nfs/dbraw/zinc/09/71/44/585097144.db2.gz RRONSLFKPREVCI-WXHSDQCUSA-N 0 3 247.338 2.679 20 10 BFCDHN C[C@@H](Cc1ccncc1)[NH2+]Cc1ccccc1[O-] ZINC000749296007 585200970 /nfs/dbraw/zinc/20/09/70/585200970.db2.gz NDGOXOINJMTBRK-LBPRGKRZSA-N 0 3 242.322 2.508 20 10 BFCDHN COC1CCC(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000749922745 585208247 /nfs/dbraw/zinc/20/82/47/585208247.db2.gz NVBBVRQKYHGCNB-UHFFFAOYSA-N 0 3 249.354 2.687 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)CC2CC2)c([O-])c1 ZINC000756768749 585322808 /nfs/dbraw/zinc/32/28/08/585322808.db2.gz GRDQAMRRTOOTHN-AAEUAGOBSA-N 0 3 249.354 2.512 20 10 BFCDHN COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([O-])cc1C ZINC000768465758 585538955 /nfs/dbraw/zinc/53/89/55/585538955.db2.gz KQUHCVXAKBDWFD-TXEJJXNPSA-N 0 3 249.354 2.797 20 10 BFCDHN COc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c([O-])cc1C ZINC000768465758 585538956 /nfs/dbraw/zinc/53/89/56/585538956.db2.gz KQUHCVXAKBDWFD-TXEJJXNPSA-N 0 3 249.354 2.797 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C[C@H]1CCOC1 ZINC000768522050 585539719 /nfs/dbraw/zinc/53/97/19/585539719.db2.gz XDTUIEZUFNOQPN-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C[C@H]1CCOC1 ZINC000768522050 585539720 /nfs/dbraw/zinc/53/97/20/585539720.db2.gz XDTUIEZUFNOQPN-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000769450142 585557217 /nfs/dbraw/zinc/55/72/17/585557217.db2.gz AOOGEBISIBNTBE-VXGBXAGGSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000769450142 585557218 /nfs/dbraw/zinc/55/72/18/585557218.db2.gz AOOGEBISIBNTBE-VXGBXAGGSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)CCC1CC1 ZINC000770376558 585573568 /nfs/dbraw/zinc/57/35/68/585573568.db2.gz VTHIACMJNGMGMV-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)CCC1CC1 ZINC000770376558 585573569 /nfs/dbraw/zinc/57/35/69/585573569.db2.gz VTHIACMJNGMGMV-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN C[C@H](NCc1cc[nH]c1)c1ccc(N(C)C)cc1 ZINC000775364402 585676516 /nfs/dbraw/zinc/67/65/16/585676516.db2.gz PZPDUFWDNVJPQB-LBPRGKRZSA-N 0 3 243.354 2.932 20 10 BFCDHN CC[C@H]([NH2+]C1(COC)CC1)c1ccccc1[O-] ZINC000775540128 585679198 /nfs/dbraw/zinc/67/91/98/585679198.db2.gz JBCMYOVNGURYME-LBPRGKRZSA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1cccc(CN2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000779149048 585745375 /nfs/dbraw/zinc/74/53/75/585745375.db2.gz KEKORHHRUQCVIA-MFKMUULPSA-N 0 3 237.318 2.881 20 10 BFCDHN CC(C)C1CN(Cc2ccc(N(C)C)cc2)C1 ZINC000793188137 586013557 /nfs/dbraw/zinc/01/35/57/586013557.db2.gz CTBNBTPUOFQAMP-UHFFFAOYSA-N 0 3 232.371 2.840 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2CC(C(C)C)C2)c1 ZINC000793193128 586013686 /nfs/dbraw/zinc/01/36/86/586013686.db2.gz RHVAGMQJHGSUNM-UHFFFAOYSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000793227736 586014620 /nfs/dbraw/zinc/01/46/20/586014620.db2.gz HBDPWSLUGSLMEL-QWRGUYRKSA-N 0 3 205.301 2.683 20 10 BFCDHN COc1cccc(C[N@H+]2CC(C)=C[C@@H](C)C2)c1[O-] ZINC000797604872 586129348 /nfs/dbraw/zinc/12/93/48/586129348.db2.gz JVZKTUMFYUEOGO-LLVKDONJSA-N 0 3 247.338 2.799 20 10 BFCDHN COc1cccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1[O-] ZINC000797604872 586129349 /nfs/dbraw/zinc/12/93/49/586129349.db2.gz JVZKTUMFYUEOGO-LLVKDONJSA-N 0 3 247.338 2.799 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000798090034 586136582 /nfs/dbraw/zinc/13/65/82/586136582.db2.gz AHRDTOHLXQFIQJ-UONOGXRCSA-N 0 3 247.338 2.679 20 10 BFCDHN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000799351580 586173276 /nfs/dbraw/zinc/17/32/76/586173276.db2.gz CFYXSJVETGTKDM-ZFWWWQNUSA-N 0 3 249.354 2.748 20 10 BFCDHN CC(C)OC[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000800230694 586206248 /nfs/dbraw/zinc/20/62/48/586206248.db2.gz DXNJYNJSCJHONY-LBPRGKRZSA-N 0 3 249.354 2.525 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC1(C)C ZINC000808422078 586472275 /nfs/dbraw/zinc/47/22/75/586472275.db2.gz WFESRCTYJLBILR-ZDUSSCGKSA-N 0 3 235.327 2.679 20 10 BFCDHN CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000809740161 586515802 /nfs/dbraw/zinc/51/58/02/586515802.db2.gz NHUORWMFACMQDJ-CMPLNLGQSA-N 0 3 235.327 2.679 20 10 BFCDHN CC[N@H+](Cc1cc(C)c(C)cc1[O-])[C@H]1CCOC1 ZINC000812297143 586572840 /nfs/dbraw/zinc/57/28/40/586572840.db2.gz XJZVTSGNKDJVNX-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN CC[N@@H+](Cc1cc(C)c(C)cc1[O-])[C@H]1CCOC1 ZINC000812297143 586572841 /nfs/dbraw/zinc/57/28/41/586572841.db2.gz XJZVTSGNKDJVNX-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN CCOc1ccc(C[NH2+]CCCCF)c([O-])c1 ZINC000812773762 586583910 /nfs/dbraw/zinc/58/39/10/586583910.db2.gz QQSUQZMJWSIZIP-UHFFFAOYSA-N 0 3 241.306 2.630 20 10 BFCDHN CCOc1ccc([O-])c(C[NH+]2CC(C3CC3)C2)c1 ZINC000812774906 586583964 /nfs/dbraw/zinc/58/39/64/586583964.db2.gz ADZFFNCKJHJTJZ-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1ccc(O)c(CN2CC(C3CC3)C2)c1 ZINC000812774906 586583965 /nfs/dbraw/zinc/58/39/65/586583965.db2.gz ADZFFNCKJHJTJZ-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CC2(C1)CCCC2 ZINC000813332113 586600345 /nfs/dbraw/zinc/60/03/45/586600345.db2.gz PJEJIYHNBATTGK-UHFFFAOYSA-N 0 3 217.312 2.768 20 10 BFCDHN CC[C@@H]1CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000814178930 586615739 /nfs/dbraw/zinc/61/57/39/586615739.db2.gz JIDOPIMODZRKRC-GFCCVEGCSA-N 0 3 236.334 2.876 20 10 BFCDHN CCOc1ccc(C[NH2+]CC[C@@H](C)F)c([O-])c1 ZINC000815149124 586670596 /nfs/dbraw/zinc/67/05/96/586670596.db2.gz AOWVUOAQJSOIGM-SNVBAGLBSA-N 0 3 241.306 2.629 20 10 BFCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1[O-] ZINC000816647540 586750499 /nfs/dbraw/zinc/75/04/99/586750499.db2.gz UGGKGUMICMJWJH-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(C[N@H+]2C[C@H](C)[C@@H]2C)c1[O-] ZINC000816647540 586750500 /nfs/dbraw/zinc/75/05/00/586750500.db2.gz UGGKGUMICMJWJH-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(CN2C[C@H](C)[C@@H]2C)c1O ZINC000816647540 586750502 /nfs/dbraw/zinc/75/05/02/586750502.db2.gz UGGKGUMICMJWJH-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])CCO1 ZINC000817414686 586802606 /nfs/dbraw/zinc/80/26/06/586802606.db2.gz IFAFZWRYFAFGGP-ZIAGYGMSSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1[O-] ZINC000817972301 586859166 /nfs/dbraw/zinc/85/91/66/586859166.db2.gz VYSDCEHTXKMPKL-BZPMIXESSA-N 0 3 248.370 2.573 20 10 BFCDHN C[C@H](N)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817973765 586860661 /nfs/dbraw/zinc/86/06/61/586860661.db2.gz WCGXKHIUQKTGJE-QWRGUYRKSA-N 0 3 244.338 2.543 20 10 BFCDHN CN(C)c1ccc(CN[C@@H]2CC23CC3)cc1F ZINC000818231074 586880736 /nfs/dbraw/zinc/88/07/36/586880736.db2.gz UQYBTVMWUMBQNL-CYBMUJFWSA-N 0 3 234.318 2.534 20 10 BFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000822497368 587171739 /nfs/dbraw/zinc/17/17/39/587171739.db2.gz AKKIBVALTHYGDZ-LLVKDONJSA-N 0 3 237.730 2.996 20 10 BFCDHN Cc1cc(O)c(CN2CC[C@@H](F)C2)cc1C ZINC000824571873 587276961 /nfs/dbraw/zinc/27/69/61/587276961.db2.gz PLZSDOMAWKBFLU-GFCCVEGCSA-N 0 3 223.291 2.553 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)c([O-])c1 ZINC000824650816 587280632 /nfs/dbraw/zinc/28/06/32/587280632.db2.gz RCGCQWCRARMYIB-CQSZACIVSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@@H]2C2CC2)c([O-])c1 ZINC000824650816 587280633 /nfs/dbraw/zinc/28/06/33/587280633.db2.gz RCGCQWCRARMYIB-CQSZACIVSA-N 0 3 247.338 2.775 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650110 587280940 /nfs/dbraw/zinc/28/09/40/587280940.db2.gz IQYIKKPDEBGJCR-GFCCVEGCSA-N 0 3 221.275 2.516 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650110 587280941 /nfs/dbraw/zinc/28/09/41/587280941.db2.gz IQYIKKPDEBGJCR-GFCCVEGCSA-N 0 3 221.275 2.516 20 10 BFCDHN CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2CC)c([O-])c1 ZINC000824783918 587287362 /nfs/dbraw/zinc/28/73/62/587287362.db2.gz XETJOWVZDTXRDZ-YPMHNXCESA-N 0 3 249.354 2.927 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C[C@@H]1C ZINC000824815167 587288537 /nfs/dbraw/zinc/28/85/37/587288537.db2.gz JEUWKHOSZHLDQB-GXTWGEPZSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C[C@@H]1C ZINC000824815167 587288538 /nfs/dbraw/zinc/28/85/38/587288538.db2.gz JEUWKHOSZHLDQB-GXTWGEPZSA-N 0 3 249.354 2.557 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000827506721 587384580 /nfs/dbraw/zinc/38/45/80/587384580.db2.gz KUMVKCZNPCFREY-DGCLKSJQSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000827506721 587384581 /nfs/dbraw/zinc/38/45/81/587384581.db2.gz KUMVKCZNPCFREY-DGCLKSJQSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000827506720 587384586 /nfs/dbraw/zinc/38/45/86/587384586.db2.gz KUMVKCZNPCFREY-AAEUAGOBSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000827506720 587384587 /nfs/dbraw/zinc/38/45/87/587384587.db2.gz KUMVKCZNPCFREY-AAEUAGOBSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827506795 587384692 /nfs/dbraw/zinc/38/46/92/587384692.db2.gz MKQUVGMZAGGEKT-RYUDHWBXSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827506795 587384694 /nfs/dbraw/zinc/38/46/94/587384694.db2.gz MKQUVGMZAGGEKT-RYUDHWBXSA-N 0 3 247.338 2.633 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000834907228 587770372 /nfs/dbraw/zinc/77/03/72/587770372.db2.gz ZAEQRORRLYSODA-MBNYWOFBSA-N 0 3 249.354 2.512 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C)cc1[O-] ZINC000834912502 587770431 /nfs/dbraw/zinc/77/04/31/587770431.db2.gz DABNTCHNFUIXNP-MGPQQGTHSA-N 0 3 249.354 2.655 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1C ZINC000834912899 587770440 /nfs/dbraw/zinc/77/04/40/587770440.db2.gz FHQGKUNYQPJVEY-IACUBPJLSA-N 0 3 249.354 2.573 20 10 BFCDHN CCOc1ccc(C[NH+]2CC(CC)C2)c([O-])c1 ZINC000835075035 587780326 /nfs/dbraw/zinc/78/03/26/587780326.db2.gz ODYZWAQUNRIRQT-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000840764716 587920695 /nfs/dbraw/zinc/92/06/95/587920695.db2.gz YQWNIVSMLSSJIF-RWMBFGLXSA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840823364 587923811 /nfs/dbraw/zinc/92/38/11/587923811.db2.gz ZSKWWSLXSDDHCX-DYEKYZERSA-N 0 3 247.338 2.537 20 10 BFCDHN Cc1cc(N(C)C)ccc1CN1CC=CCC1 ZINC000840935831 587930878 /nfs/dbraw/zinc/93/08/78/587930878.db2.gz ACVJDXBKCBVZLR-UHFFFAOYSA-N 0 3 230.355 2.823 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CC1(F)F ZINC000840969163 587932536 /nfs/dbraw/zinc/93/25/36/587932536.db2.gz YQPQKENDYFVIHX-WPRPVWTQSA-N 0 3 227.254 2.526 20 10 BFCDHN CO[C@](C)([C@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000840961118 587932685 /nfs/dbraw/zinc/93/26/85/587932685.db2.gz QQXVNVUDZKMBJW-XHDPSFHLSA-N 0 3 249.354 2.685 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c([O-])c1C ZINC000842929716 588071880 /nfs/dbraw/zinc/07/18/80/588071880.db2.gz RWBGUGWBCKABAD-WCFLWFBJSA-N 0 3 249.354 2.837 20 10 BFCDHN CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846137286 588258461 /nfs/dbraw/zinc/25/84/61/588258461.db2.gz MZCCJRIFGNVGCR-UWVGGRQHSA-N 0 3 223.316 2.850 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]C2CCC2)c1[O-] ZINC000846149409 588258742 /nfs/dbraw/zinc/25/87/42/588258742.db2.gz MUKATIKDCFOGDL-SECBINFHSA-N 0 3 221.300 2.604 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000846158983 588258934 /nfs/dbraw/zinc/25/89/34/588258934.db2.gz CGZFCFGUFUQYBQ-SNVBAGLBSA-N 0 3 247.338 2.994 20 10 BFCDHN CCc1cccc(C[N@H+]2CC[C@@H]2CC)c1[O-] ZINC000848914085 588420065 /nfs/dbraw/zinc/42/00/65/588420065.db2.gz IFENORKLDDRHRX-ZDUSSCGKSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1cccc(C[N@@H+]2CC[C@@H]2CC)c1[O-] ZINC000848914085 588420066 /nfs/dbraw/zinc/42/00/66/588420066.db2.gz IFENORKLDDRHRX-ZDUSSCGKSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1cccc(C[N@@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000848916435 588420151 /nfs/dbraw/zinc/42/01/51/588420151.db2.gz UEVQCUWUHZILIA-AWEZNQCLSA-N 0 3 231.339 2.939 20 10 BFCDHN CCc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000848916435 588420152 /nfs/dbraw/zinc/42/01/52/588420152.db2.gz UEVQCUWUHZILIA-AWEZNQCLSA-N 0 3 231.339 2.939 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCOC2CCCC2)c1 ZINC000108942594 588506041 /nfs/dbraw/zinc/50/60/41/588506041.db2.gz HBNHBDRXOYYLRE-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CC[C@@H](C)CC[NH2+]Cc1c([O-])cccc1OC ZINC000850355063 588538831 /nfs/dbraw/zinc/53/88/31/588538831.db2.gz COZGWZKCSCMDLI-LLVKDONJSA-N 0 3 237.343 2.927 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2C=CCC2)c1 ZINC000850358273 588539269 /nfs/dbraw/zinc/53/92/69/588539269.db2.gz MRJFXADNTHRKJI-LBPRGKRZSA-N 0 3 233.311 2.599 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]CCc2ccoc2)cc1C ZINC000850376944 588542053 /nfs/dbraw/zinc/54/20/53/588542053.db2.gz PIXVDLQLPXUWRI-UHFFFAOYSA-N 0 3 245.322 2.934 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC000850391856 588542996 /nfs/dbraw/zinc/54/29/96/588542996.db2.gz CAKNIAGCKOYMDV-AGGWBTHJSA-N 0 3 231.339 2.897 20 10 BFCDHN CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000850393180 588543661 /nfs/dbraw/zinc/54/36/61/588543661.db2.gz PRNCFYNEXJNBNU-AGGWBTHJSA-N 0 3 247.338 2.679 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CC2=CCCC2)c1 ZINC000850396436 588543730 /nfs/dbraw/zinc/54/37/30/588543730.db2.gz VYXYGCZGAJPLMH-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850393593 588543991 /nfs/dbraw/zinc/54/39/91/588543991.db2.gz UXSAHIHVYMXWAM-IMRBUKKESA-N 0 3 247.338 2.679 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000850430674 588546281 /nfs/dbraw/zinc/54/62/81/588546281.db2.gz TUAFGHFBNWUBJK-UHFFFAOYSA-N 0 3 241.281 2.570 20 10 BFCDHN COC1CC(CC[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000850483556 588551602 /nfs/dbraw/zinc/55/16/02/588551602.db2.gz ZYHOJKRWBBOEAF-PNESKVBLSA-N 0 3 249.354 2.858 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])CC1CC=CC1 ZINC000851841151 588634367 /nfs/dbraw/zinc/63/43/67/588634367.db2.gz NLZFDXMGVRDHCV-UHFFFAOYSA-N 0 3 217.312 2.790 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])CC1CC=CC1 ZINC000851841151 588634368 /nfs/dbraw/zinc/63/43/68/588634368.db2.gz NLZFDXMGVRDHCV-UHFFFAOYSA-N 0 3 217.312 2.790 20 10 BFCDHN Cc1ccc(O)c(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000865753652 589461111 /nfs/dbraw/zinc/46/11/11/589461111.db2.gz LFPVFOQREXOAHX-NXEZZACHSA-N 0 3 245.244 2.741 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000865753652 589461112 /nfs/dbraw/zinc/46/11/12/589461112.db2.gz LFPVFOQREXOAHX-NXEZZACHSA-N 0 3 245.244 2.741 20 10 BFCDHN C[C@@H]([NH2+]CC(C)(C)F)c1ccccc1[O-] ZINC000866409103 589491166 /nfs/dbraw/zinc/49/11/66/589491166.db2.gz VLLRCJJBJSEXOX-SECBINFHSA-N 0 3 211.280 2.791 20 10 BFCDHN C[C@@H]([NH2+]CC(C)(C)F)c1cc(F)ccc1[O-] ZINC000866408643 589491477 /nfs/dbraw/zinc/49/14/77/589491477.db2.gz MRIIHEXYAQDGHO-MRVPVSSYSA-N 0 3 229.270 2.930 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(C)cc1[O-] ZINC000866489093 589496803 /nfs/dbraw/zinc/49/68/03/589496803.db2.gz DABNTCHNFUIXNP-RDBSUJKOSA-N 0 3 249.354 2.655 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000866501041 589497773 /nfs/dbraw/zinc/49/77/73/589497773.db2.gz XWKCQUBONAYZMU-FXBDTBDDSA-N 0 3 245.244 2.994 20 10 BFCDHN C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000121995204 589546974 /nfs/dbraw/zinc/54/69/74/589546974.db2.gz IVYURVLRGWLSKL-CMPLNLGQSA-N 0 3 205.301 2.670 20 10 BFCDHN CCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019907049 590042846 /nfs/dbraw/zinc/04/28/46/590042846.db2.gz BCGJLGGKTAMRPC-SNVBAGLBSA-N 0 3 223.316 2.852 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000019962386 590059721 /nfs/dbraw/zinc/05/97/21/590059721.db2.gz SJIOQIGIGOGOLR-UHFFFAOYSA-N 0 3 227.307 2.990 20 10 BFCDHN CSCCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000124942502 590102968 /nfs/dbraw/zinc/10/29/68/590102968.db2.gz ASCQULJMRCSBMW-UHFFFAOYSA-N 0 3 239.384 2.933 20 10 BFCDHN CC[C@@H](C)[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876581618 590218872 /nfs/dbraw/zinc/21/88/72/590218872.db2.gz AIJFRURRNBXFKQ-LLVKDONJSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@@H](C)[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876581618 590218874 /nfs/dbraw/zinc/21/88/74/590218874.db2.gz AIJFRURRNBXFKQ-LLVKDONJSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@@](C)(C[N@H+](C)Cc1ccccc1[O-])OC ZINC000876615299 590222262 /nfs/dbraw/zinc/22/22/62/590222262.db2.gz AOUYUFWPDFIMRD-AWEZNQCLSA-N 0 3 237.343 2.639 20 10 BFCDHN CC[C@@](C)(C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000876615299 590222264 /nfs/dbraw/zinc/22/22/64/590222264.db2.gz AOUYUFWPDFIMRD-AWEZNQCLSA-N 0 3 237.343 2.639 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@@H]1CCCO1 ZINC000876633119 590224064 /nfs/dbraw/zinc/22/40/64/590224064.db2.gz MWNWMNREFWWGOU-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C[C@@H]1CCCO1 ZINC000876633119 590224065 /nfs/dbraw/zinc/22/40/65/590224065.db2.gz MWNWMNREFWWGOU-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@H]1CCCO1 ZINC000876633121 590224147 /nfs/dbraw/zinc/22/41/47/590224147.db2.gz MWNWMNREFWWGOU-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C[C@H]1CCCO1 ZINC000876633121 590224149 /nfs/dbraw/zinc/22/41/49/590224149.db2.gz MWNWMNREFWWGOU-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCS[C@H](C)C1 ZINC000876688677 590230469 /nfs/dbraw/zinc/23/04/69/590230469.db2.gz VDOWZBBDMUTGQH-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCS[C@H](C)C1 ZINC000876688677 590230471 /nfs/dbraw/zinc/23/04/71/590230471.db2.gz VDOWZBBDMUTGQH-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)c([O-])c1 ZINC000876695908 590231656 /nfs/dbraw/zinc/23/16/56/590231656.db2.gz KPSSDOCIMADPPT-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)c([O-])c1 ZINC000876695908 590231657 /nfs/dbraw/zinc/23/16/57/590231657.db2.gz KPSSDOCIMADPPT-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C ZINC000876723904 590233182 /nfs/dbraw/zinc/23/31/82/590233182.db2.gz ZQTFNPNOKQOKHR-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C ZINC000876723904 590233183 /nfs/dbraw/zinc/23/31/83/590233183.db2.gz ZQTFNPNOKQOKHR-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)C2CC2)c([O-])c1 ZINC000876896534 590255262 /nfs/dbraw/zinc/25/52/62/590255262.db2.gz GTAJOTSKWCFLIV-JTQLQIEISA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[NH2+]CC2CCC2)c([O-])c1 ZINC000876984148 590264913 /nfs/dbraw/zinc/26/49/13/590264913.db2.gz BHUOYQVSDOILKS-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN Cc1ncsc1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877015142 590269155 /nfs/dbraw/zinc/26/91/55/590269155.db2.gz GKLJCLDNQKYGCD-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN CSCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877053822 590275188 /nfs/dbraw/zinc/27/51/88/590275188.db2.gz YKYCNKUHOGYDCF-UHFFFAOYSA-N 0 3 225.357 2.543 20 10 BFCDHN COCCC(C)(C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877076706 590278565 /nfs/dbraw/zinc/27/85/65/590278565.db2.gz PLKIHRBMWLGYGF-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1(C)CCOCC1 ZINC000877076166 590278623 /nfs/dbraw/zinc/27/86/23/590278623.db2.gz KLHIUCWFVGIMBJ-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCS1 ZINC000877083797 590280261 /nfs/dbraw/zinc/28/02/61/590280261.db2.gz FIWVKXDWBWFOLB-NSHDSACASA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCSC1 ZINC000877084107 590280477 /nfs/dbraw/zinc/28/04/77/590280477.db2.gz PNQQRBWDJVYSJK-NSHDSACASA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)C2CCOCC2)c([O-])c1 ZINC000877090981 590280766 /nfs/dbraw/zinc/28/07/66/590280766.db2.gz WRAWMKFVEHTOTR-GFCCVEGCSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000877126440 590289820 /nfs/dbraw/zinc/28/98/20/590289820.db2.gz KNLOBIKUPAVNTC-CLLJXQQHSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000877182812 590298106 /nfs/dbraw/zinc/29/81/06/590298106.db2.gz SKOVVJXWUBNNLE-TZMCWYRMSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccccn2)c(O)c1 ZINC000877318688 590314338 /nfs/dbraw/zinc/31/43/38/590314338.db2.gz DJJQXDDSMFSENY-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CC[C@@]1(C)CN(Cc2ccc(C)cc2O)CCO1 ZINC000877463437 590332833 /nfs/dbraw/zinc/33/28/33/590332833.db2.gz DBGZKQRVOARLKE-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])CC[C@@H]1C ZINC000877463152 590332898 /nfs/dbraw/zinc/33/28/98/590332898.db2.gz BZOLXPPOYNBVCG-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC[C@@H]1C ZINC000877463152 590332900 /nfs/dbraw/zinc/33/29/00/590332900.db2.gz BZOLXPPOYNBVCG-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCSC(C)C ZINC000877523079 590345366 /nfs/dbraw/zinc/34/53/66/590345366.db2.gz SNRCOUKWPUQVLY-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@H]1C ZINC000877524323 590346348 /nfs/dbraw/zinc/34/63/48/590346348.db2.gz UXMBGAGPYSPKSL-PWSUYJOCSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[NH2+]CCSC(C)C)c([O-])c1 ZINC000877523142 590346404 /nfs/dbraw/zinc/34/64/04/590346404.db2.gz UBCSXVMDTVYAIR-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN CCOC1CC([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000877530394 590349413 /nfs/dbraw/zinc/34/94/13/590349413.db2.gz UAUJCYZSPWPJLO-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOC1CC([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000877530394 590349415 /nfs/dbraw/zinc/34/94/15/590349415.db2.gz UAUJCYZSPWPJLO-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@H](C)OC ZINC000877544157 590352829 /nfs/dbraw/zinc/35/28/29/590352829.db2.gz RIOSWTFNBHBLSV-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C[C@H](C)OC ZINC000877544157 590352830 /nfs/dbraw/zinc/35/28/30/590352830.db2.gz RIOSWTFNBHBLSV-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN COC[C@]1(C)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877558573 590359220 /nfs/dbraw/zinc/35/92/20/590359220.db2.gz KBIATBILAVHXRI-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@]1(C)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877558573 590359222 /nfs/dbraw/zinc/35/92/22/590359222.db2.gz KBIATBILAVHXRI-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN CO[C@H]([C@@H](C)[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877573009 590362792 /nfs/dbraw/zinc/36/27/92/590362792.db2.gz MVVKRABCDDQVGR-IAQYHMDHSA-N 0 3 249.354 2.604 20 10 BFCDHN CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877573007 590363117 /nfs/dbraw/zinc/36/31/17/590363117.db2.gz MVVKRABCDDQVGR-ABAIWWIYSA-N 0 3 249.354 2.604 20 10 BFCDHN CCC1C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000877579399 590364294 /nfs/dbraw/zinc/36/42/94/590364294.db2.gz RBICTTJXKPEPGT-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN CCC1(C)C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000877582385 590367235 /nfs/dbraw/zinc/36/72/35/590367235.db2.gz UFBSGEWOTCONKW-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CC2(C)C)c([O-])c1 ZINC000877588558 590368935 /nfs/dbraw/zinc/36/89/35/590368935.db2.gz SGHHSSFVMSMMNM-LBPRGKRZSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000877589518 590368987 /nfs/dbraw/zinc/36/89/87/590368987.db2.gz PNJSUSLPYZIEAQ-XQQFMLRXSA-N 0 3 249.354 2.604 20 10 BFCDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877596777 590370210 /nfs/dbraw/zinc/37/02/10/590370210.db2.gz XSCCZFQWQYZXAT-ZIAGYGMSSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc(C[NH+]2CC(CC(F)F)C2)c([O-])c1 ZINC000877599419 590371220 /nfs/dbraw/zinc/37/12/20/590371220.db2.gz ZDZKVBOINYUHLJ-UHFFFAOYSA-N 0 3 241.281 2.788 20 10 BFCDHN COCC1(CC[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877604013 590371609 /nfs/dbraw/zinc/37/16/09/590371609.db2.gz GRVYDJXSNWILHA-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c([O-])c1 ZINC000877630858 590377504 /nfs/dbraw/zinc/37/75/04/590377504.db2.gz OAEPWVOXOJMHST-OCCSQVGLSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000877633140 590378587 /nfs/dbraw/zinc/37/85/87/590378587.db2.gz AYEMCIOKJDCUIM-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000877633140 590378589 /nfs/dbraw/zinc/37/85/89/590378589.db2.gz AYEMCIOKJDCUIM-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000877633597 590378629 /nfs/dbraw/zinc/37/86/29/590378629.db2.gz DDOGPPMULHGAKN-GNXNZQSNSA-N 0 3 217.312 2.589 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000877635419 590380916 /nfs/dbraw/zinc/38/09/16/590380916.db2.gz QLABXAYCGSYQII-DGCLKSJQSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000877635419 590380918 /nfs/dbraw/zinc/38/09/18/590380918.db2.gz QLABXAYCGSYQII-DGCLKSJQSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)c([O-])c1 ZINC000877639948 590381309 /nfs/dbraw/zinc/38/13/09/590381309.db2.gz HAXKOOXNUHCJDQ-ZDUSSCGKSA-N 0 3 249.354 2.605 20 10 BFCDHN CCc1cccc(C[NH+]2CC(C)(C)C2)c1[O-] ZINC000877717866 590400061 /nfs/dbraw/zinc/40/00/61/590400061.db2.gz RVMNIDPTMXJPBJ-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1cccc(CN2CC(C)(C)C2)c1O ZINC000877717866 590400063 /nfs/dbraw/zinc/40/00/63/590400063.db2.gz RVMNIDPTMXJPBJ-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877719049 590401180 /nfs/dbraw/zinc/40/11/80/590401180.db2.gz FBWBNBMJKGPHSI-BETUJISGSA-N 0 3 229.323 2.790 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877719049 590401182 /nfs/dbraw/zinc/40/11/82/590401182.db2.gz FBWBNBMJKGPHSI-BETUJISGSA-N 0 3 229.323 2.790 20 10 BFCDHN C[C@@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1[O-] ZINC000877755498 590417019 /nfs/dbraw/zinc/41/70/19/590417019.db2.gz CSMURPJNVXDXEH-NEPJUHHUSA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1[O-] ZINC000877755412 590417257 /nfs/dbraw/zinc/41/72/57/590417257.db2.gz AJDHMSXOSJETMR-UPJWGTAASA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1[O-] ZINC000877755977 590417506 /nfs/dbraw/zinc/41/75/06/590417506.db2.gz WHEFOXZDZUZPMX-CKYFFXLPSA-N 0 3 205.301 2.841 20 10 BFCDHN C[C@@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757178 590417772 /nfs/dbraw/zinc/41/77/72/590417772.db2.gz LRWKRPJDOHIFBZ-AVGNSLFASA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1[O-] ZINC000877755762 590417844 /nfs/dbraw/zinc/41/78/44/590417844.db2.gz MDLNQWOAZZOHPM-JTNHKYCSSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1[O-] ZINC000877755848 590417929 /nfs/dbraw/zinc/41/79/29/590417929.db2.gz ONNWCARMJGEYKP-HBNTYKKESA-N 0 3 237.368 2.937 20 10 BFCDHN CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758185 590418552 /nfs/dbraw/zinc/41/85/52/590418552.db2.gz LWMPQSAOOWCXOZ-NEPJUHHUSA-N 0 3 237.343 2.856 20 10 BFCDHN C[C@H]([NH2+]CC1(F)CC1)c1ccccc1[O-] ZINC000877758235 590418570 /nfs/dbraw/zinc/41/85/70/590418570.db2.gz ONHNVSWLJFFLHT-VIFPVBQESA-N 0 3 209.264 2.545 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CC(C)(C)CO2)c([O-])c1 ZINC000877805144 590425583 /nfs/dbraw/zinc/42/55/83/590425583.db2.gz KFIPCBZEKPOQDH-ZDUSSCGKSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000877805064 590425920 /nfs/dbraw/zinc/42/59/20/590425920.db2.gz HNMVPQLXQAINIB-LBPRGKRZSA-N 0 3 249.354 2.605 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccccc1[O-] ZINC000879650456 590843103 /nfs/dbraw/zinc/84/31/03/590843103.db2.gz ARPGIPQBGGCPJO-SRVKXCTJSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000128445509 591056294 /nfs/dbraw/zinc/05/62/94/591056294.db2.gz GICRDPIIMIRCEP-AAEUAGOBSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCC2CCC2)c1 ZINC000130349242 591459179 /nfs/dbraw/zinc/45/91/79/591459179.db2.gz QHDKAQQPKRHKQI-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000131816670 591666340 /nfs/dbraw/zinc/66/63/40/591666340.db2.gz FMUNDRGABDKELH-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000132432668 591707841 /nfs/dbraw/zinc/70/78/41/591707841.db2.gz LDJQSIFTSKBWKQ-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@@H]1CCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000132432668 591707846 /nfs/dbraw/zinc/70/78/46/591707846.db2.gz LDJQSIFTSKBWKQ-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000132638375 591725609 /nfs/dbraw/zinc/72/56/09/591725609.db2.gz IFWLICMLQGGIDW-LBPRGKRZSA-N 0 3 205.301 2.767 20 10 BFCDHN CC[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000132638375 591725613 /nfs/dbraw/zinc/72/56/13/591725613.db2.gz IFWLICMLQGGIDW-LBPRGKRZSA-N 0 3 205.301 2.767 20 10 BFCDHN CC[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000132638201 591725875 /nfs/dbraw/zinc/72/58/75/591725875.db2.gz IFWLICMLQGGIDW-GFCCVEGCSA-N 0 3 205.301 2.767 20 10 BFCDHN CC[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000132638201 591725877 /nfs/dbraw/zinc/72/58/77/591725877.db2.gz IFWLICMLQGGIDW-GFCCVEGCSA-N 0 3 205.301 2.767 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000135186067 591994813 /nfs/dbraw/zinc/99/48/13/591994813.db2.gz OWMNCZZKMLECQD-ZYHUDNBSSA-N 0 3 235.327 2.679 20 10 BFCDHN CC(C)(C)CC[NH2+]Cc1ccccc1[O-] ZINC000136401630 592116901 /nfs/dbraw/zinc/11/69/01/592116901.db2.gz AHOOLYUDDYTQAW-UHFFFAOYSA-N 0 3 207.317 2.918 20 10 BFCDHN C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000220928261 592378779 /nfs/dbraw/zinc/37/87/79/592378779.db2.gz YFUPFAIZUVKRBF-JOYOIKCWSA-N 0 3 223.291 2.810 20 10 BFCDHN C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310555355 632757095 /nfs/dbraw/zinc/75/70/95/632757095.db2.gz IANFTUHSTXPXIP-MVWJERBFSA-N 0 3 249.379 2.863 20 10 BFCDHN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000310582595 632760183 /nfs/dbraw/zinc/76/01/83/632760183.db2.gz RSLNUFPGIIPAGV-VHSXEESVSA-N 0 3 241.306 2.607 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(F)ccc1[O-] ZINC000309427462 633058206 /nfs/dbraw/zinc/05/82/06/633058206.db2.gz LDOLFFOAHQXFAB-PTRXPTGYSA-N 0 3 223.291 2.980 20 10 BFCDHN CO[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000188817100 636028267 /nfs/dbraw/zinc/02/82/67/636028267.db2.gz VVAXZCYMZFPTGR-TUAOUCFPSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@H]1C[C@H]([NH2+]C2CC2)c2c1c(F)ccc2[O-] ZINC000309807657 633766295 /nfs/dbraw/zinc/76/62/95/633766295.db2.gz SPLAFBVWGGRNMN-XVKPBYJWSA-N 0 3 221.275 2.832 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCC1(F)CCC1 ZINC000310042721 634107369 /nfs/dbraw/zinc/10/73/69/634107369.db2.gz ZQCLRKNIBXXQFS-UHFFFAOYSA-N 0 3 223.291 2.764 20 10 BFCDHN CC[C@H]([NH2+]C1CC(CCO)C1)c1ccccc1[O-] ZINC000898010167 636852111 /nfs/dbraw/zinc/85/21/11/636852111.db2.gz GZRZJDWWDJTIKT-YIZWMMSDSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@@](C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000322659656 636877352 /nfs/dbraw/zinc/87/73/52/636877352.db2.gz ZVLVPFUYJFTKTC-DOMZBBRYSA-N 0 3 249.354 2.784 20 10 BFCDHN Cc1cc(C)c(O)c(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000163953203 640430256 /nfs/dbraw/zinc/43/02/56/640430256.db2.gz NMBDLMBAEFYBME-QWHCGFSZSA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@@H]([NH2+]C1CC=CC1)c1ccccc1[O-] ZINC000163987569 640433892 /nfs/dbraw/zinc/43/38/92/640433892.db2.gz QIXZMAHPZWJOJK-SNVBAGLBSA-N 0 3 203.285 2.761 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1O ZINC000226589357 640778648 /nfs/dbraw/zinc/77/86/48/640778648.db2.gz ZFYBSNNJVGBLLZ-UHFFFAOYSA-N 0 3 247.269 2.527 20 10 BFCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCC1 ZINC000226618211 640780078 /nfs/dbraw/zinc/78/00/78/640780078.db2.gz XGZSWRWPOXPKJH-SECBINFHSA-N 0 3 223.291 2.810 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000228803135 640896922 /nfs/dbraw/zinc/89/69/22/640896922.db2.gz DHGPQDPIVSYWDP-QJPTWQEYSA-N 0 3 235.327 2.610 20 10 BFCDHN CC(C)([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000230674559 641080461 /nfs/dbraw/zinc/08/04/61/641080461.db2.gz RBRPXBIOIDDUAJ-UHFFFAOYSA-N 0 3 205.301 2.670 20 10 BFCDHN COc1ccc(C[NH2+]CC(C)(C)C)c([O-])c1 ZINC000040906844 641539779 /nfs/dbraw/zinc/53/97/79/641539779.db2.gz KXYRRKUDLCBHTE-UHFFFAOYSA-N 0 3 223.316 2.537 20 10 BFCDHN Cc1ccc(C[NH2+]C2CCCC2)c([O-])c1 ZINC000083344436 643434822 /nfs/dbraw/zinc/43/48/22/643434822.db2.gz FOGCUAGRSQDBSP-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000044690372 643547877 /nfs/dbraw/zinc/54/78/77/643547877.db2.gz FGPWPKODDWUSHY-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN COCCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000044656561 643548755 /nfs/dbraw/zinc/54/87/55/643548755.db2.gz NRQGBWPTBAACAO-GFCCVEGCSA-N 0 3 237.343 2.778 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1[O-] ZINC000186193954 643651207 /nfs/dbraw/zinc/65/12/07/643651207.db2.gz AJWMPPIQQZFMPP-ZRQNBYAXSA-N 0 3 247.338 2.753 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731621 644080922 /nfs/dbraw/zinc/08/09/22/644080922.db2.gz DZGUURNLMZSKGD-VHSXEESVSA-N 0 3 245.244 2.680 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2(O)CCCC2)c([O-])c1 ZINC000087016365 644472826 /nfs/dbraw/zinc/47/28/26/644472826.db2.gz CXRGRULKLGULIU-LBPRGKRZSA-N 0 3 249.354 2.656 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(O)CCCC2)c([O-])c1 ZINC000087016363 644474123 /nfs/dbraw/zinc/47/41/23/644474123.db2.gz CXRGRULKLGULIU-GFCCVEGCSA-N 0 3 249.354 2.656 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000246042906 644559757 /nfs/dbraw/zinc/55/97/57/644559757.db2.gz OBEMWBGRSHAQBM-RNJOBUHISA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783519487 644755651 /nfs/dbraw/zinc/75/56/51/644755651.db2.gz LRWKRPJDOHIFBZ-FRRDWIJNSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H](NCc1ccc(F)cn1)c1ccccc1O ZINC000783518907 644756192 /nfs/dbraw/zinc/75/61/92/644756192.db2.gz FCWUJIPUIHUMRP-SNVBAGLBSA-N 0 3 246.285 2.777 20 10 BFCDHN COc1ccc(CNCC(C)(C)F)cc1C ZINC000865653049 645720264 /nfs/dbraw/zinc/72/02/64/645720264.db2.gz AVBMHCWQZOWYRN-UHFFFAOYSA-N 0 3 225.307 2.841 20 10 BFCDHN CCOc1ccc(C[NH2+]CC(C)(C)F)c([O-])c1 ZINC000865653651 645720586 /nfs/dbraw/zinc/72/05/86/645720586.db2.gz IJSNCXGAAVPCPI-UHFFFAOYSA-N 0 3 241.306 2.629 20 10 BFCDHN CSCCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877049507 645788647 /nfs/dbraw/zinc/78/86/47/645788647.db2.gz FZERGMGEANBNIO-UHFFFAOYSA-N 0 3 239.384 2.933 20 10 BFCDHN CSCCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877049543 645788976 /nfs/dbraw/zinc/78/89/76/645788976.db2.gz GSWUWKVCBFQOJU-UHFFFAOYSA-N 0 3 239.384 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000877608689 645803191 /nfs/dbraw/zinc/80/31/91/645803191.db2.gz UVHZHPQLRBIZOC-ZYHUDNBSSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCS[C@H]1C ZINC000877608684 645803443 /nfs/dbraw/zinc/80/34/43/645803443.db2.gz UVHZHPQLRBIZOC-CMPLNLGQSA-N 0 3 237.368 2.684 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711728827 712319981 /nfs/dbraw/zinc/31/99/81/712319981.db2.gz LVXDHLSCTGKVCE-SNVBAGLBSA-N 0 3 221.275 2.587 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000381547065 710654541 /nfs/dbraw/zinc/65/45/41/710654541.db2.gz KWJZERCTJZORLP-CHWSQXEVSA-N 0 3 217.312 2.670 20 10 BFCDHN CSC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381549293 710655022 /nfs/dbraw/zinc/65/50/22/710655022.db2.gz LXRARZFZBKUOIG-GXSJLCMTSA-N 0 3 237.368 2.721 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000381571270 710655810 /nfs/dbraw/zinc/65/58/10/710655810.db2.gz XHKFHZUFTWBPHG-CYBMUJFWSA-N 0 3 217.312 2.815 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000385919227 711018669 /nfs/dbraw/zinc/01/86/69/711018669.db2.gz JBJPEZBXBPKXOG-GBIKHYSHSA-N 0 3 235.327 2.535 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccccc1[O-] ZINC000393967096 711179991 /nfs/dbraw/zinc/17/99/91/711179991.db2.gz RRTSAAURDYZFHN-CMPLNLGQSA-N 0 3 237.343 2.592 20 10 BFCDHN C/C=C\C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000395202203 711205259 /nfs/dbraw/zinc/20/52/59/711205259.db2.gz GHAKWEMBLBHCIH-TYRPZCRBSA-N 0 3 209.264 2.758 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c([O-])c1 ZINC000396568631 711354791 /nfs/dbraw/zinc/35/47/91/711354791.db2.gz YTVGTTKMNDXMDI-VXGBXAGGSA-N 0 3 249.354 2.919 20 10 BFCDHN CC1(C2([NH2+]Cc3ccccc3[O-])CC2)CC1 ZINC000398141131 711402999 /nfs/dbraw/zinc/40/29/99/711402999.db2.gz QVPPJBDCQHJUFR-UHFFFAOYSA-N 0 3 217.312 2.815 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000398143687 711403463 /nfs/dbraw/zinc/40/34/63/711403463.db2.gz KMUAAEWPXMAGSM-AGIUHOORSA-N 0 3 249.354 2.919 20 10 BFCDHN C/C=C\C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000384919342 711000589 /nfs/dbraw/zinc/00/05/89/711000589.db2.gz QYMVZQSYUXLNBD-QUCGXOGASA-N 0 3 203.285 2.545 20 10 BFCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000384945243 711001975 /nfs/dbraw/zinc/00/19/75/711001975.db2.gz URCGQMDFIFNNHE-XZUYRWCXSA-N 0 3 235.327 2.609 20 10 BFCDHN CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1[O-] ZINC000397314341 711380419 /nfs/dbraw/zinc/38/04/19/711380419.db2.gz SYKPEUDUKRXBNY-DZGCQCFKSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H](NCc1cnc(C)o1)c1ccccc1O ZINC000397923617 711396450 /nfs/dbraw/zinc/39/64/50/711396450.db2.gz PQVZLLUOXSRZDT-ZDUSSCGKSA-N 0 3 246.310 2.930 20 10 BFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@@H](C)[C@H]1C ZINC000399569603 711432024 /nfs/dbraw/zinc/43/20/24/711432024.db2.gz OGIAAHYUDFSEFB-WOPDTQHZSA-N 0 3 219.328 2.869 20 10 BFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H](C)[C@H]1C ZINC000399569603 711432026 /nfs/dbraw/zinc/43/20/26/711432026.db2.gz OGIAAHYUDFSEFB-WOPDTQHZSA-N 0 3 219.328 2.869 20 10 BFCDHN C/C=C/C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000395202194 711693161 /nfs/dbraw/zinc/69/31/61/711693161.db2.gz GHAKWEMBLBHCIH-CDAZIORVSA-N 0 3 209.264 2.758 20 10 BFCDHN CCC1(O)CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000703025364 712065092 /nfs/dbraw/zinc/06/50/92/712065092.db2.gz VOZGECHMFFQBLB-UHFFFAOYSA-N 0 3 249.354 2.566 20 10 BFCDHN CCC[C@@H](C[NH2+]Cc1ccccc1[O-])OCC ZINC000705340851 712129144 /nfs/dbraw/zinc/12/91/44/712129144.db2.gz QDEPCYBFOIJILA-ZDUSSCGKSA-N 0 3 237.343 2.687 20 10 BFCDHN Cc1cccc(CN2CCOC(C)(C)[C@@H]2C)c1O ZINC000707696724 712176895 /nfs/dbraw/zinc/17/68/95/712176895.db2.gz GDHBKHXRZYJLMA-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1C=CCC1)CC2 ZINC000711766800 712327159 /nfs/dbraw/zinc/32/71/59/712327159.db2.gz JKPSOTBJEBEIAR-WCQYABFASA-N 0 3 229.323 2.935 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712630883 712439214 /nfs/dbraw/zinc/43/92/14/712439214.db2.gz OJXARGDZVZABLY-OCCSQVGLSA-N 0 3 231.339 2.918 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccccc1[O-] ZINC000714720767 712496184 /nfs/dbraw/zinc/49/61/84/712496184.db2.gz BPGURHFKDZNCQB-OBJOEFQTSA-N 0 3 249.354 2.858 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CC13CC3)CC2 ZINC000715302749 712515771 /nfs/dbraw/zinc/51/57/71/712515771.db2.gz KGUMYIFVNCQLNM-JQWIXIFHSA-N 0 3 215.296 2.522 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(F)ccc1[O-] ZINC000715321191 712521072 /nfs/dbraw/zinc/52/10/72/712521072.db2.gz OULOCLSPDRVBEC-PELKAZGASA-N 0 3 221.275 2.734 20 10 BFCDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000716576398 712564243 /nfs/dbraw/zinc/56/42/43/712564243.db2.gz ILTBUASZWYBMBQ-RUZUBIRVSA-N 0 3 231.339 2.774 20 10 BFCDHN CCC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000716798835 712574770 /nfs/dbraw/zinc/57/47/70/712574770.db2.gz KDDSYPZRMIOAEQ-NEPJUHHUSA-N 0 3 237.343 2.594 20 10 BFCDHN CCC[C@@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000716872052 712579566 /nfs/dbraw/zinc/57/95/66/712579566.db2.gz LKSPJTQDLZNBGY-QWHCGFSZSA-N 0 3 249.354 2.520 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717085528 712630050 /nfs/dbraw/zinc/63/00/50/712630050.db2.gz BESYETHFLPIXKU-OBJOEFQTSA-N 0 3 231.339 2.918 20 10 BFCDHN CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717616190 712662513 /nfs/dbraw/zinc/66/25/13/712662513.db2.gz VZAJZOATZNAKMV-ZIAGYGMSSA-N 0 3 249.354 2.594 20 10 BFCDHN C/C=C\C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000384897714 712704430 /nfs/dbraw/zinc/70/44/30/712704430.db2.gz MUGOXIKBIBZNGL-DOGVGXBMSA-N 0 3 205.301 2.927 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCS1)CC2 ZINC000380170113 712705137 /nfs/dbraw/zinc/70/51/37/712705137.db2.gz WSJFXQQGFUGQIG-NEPJUHHUSA-N 0 3 249.379 2.865 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1[O-] ZINC000038043886 712803289 /nfs/dbraw/zinc/80/32/89/712803289.db2.gz NTWSSSBOXUGPJZ-OCCSQVGLSA-N 0 3 249.354 2.860 20 10 BFCDHN CC1([NH2+]Cc2cc(F)ccc2[O-])CC(F)(F)C1 ZINC000720912288 712877873 /nfs/dbraw/zinc/87/78/73/712877873.db2.gz ODTAUECGRBVLQW-UHFFFAOYSA-N 0 3 245.244 2.809 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001203549896 966680812 /nfs/dbraw/zinc/68/08/12/966680812.db2.gz BRFLJZWSKGOQCR-LBPRGKRZSA-N 0 3 223.291 2.716 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001203549896 966680818 /nfs/dbraw/zinc/68/08/18/966680818.db2.gz BRFLJZWSKGOQCR-LBPRGKRZSA-N 0 3 223.291 2.716 20 10 BFCDHN CCc1ccc(C[N@H+](C)C2CC2)c([O-])c1 ZINC001236783984 979729249 /nfs/dbraw/zinc/72/92/49/979729249.db2.gz QPTSOLYQWQDANW-UHFFFAOYSA-N 0 3 205.301 2.549 20 10 BFCDHN CCc1ccc(C[N@@H+](C)C2CC2)c([O-])c1 ZINC001236783984 979729259 /nfs/dbraw/zinc/72/92/59/979729259.db2.gz QPTSOLYQWQDANW-UHFFFAOYSA-N 0 3 205.301 2.549 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001346029254 980732645 /nfs/dbraw/zinc/73/26/45/980732645.db2.gz MHBHESWWCVECCJ-RYUDHWBXSA-N 0 3 223.291 2.763 20 10 BFCDHN CC(C)CC[N@@H+]1Cc2cccc([O-])c2C1 ZINC001331743169 974813255 /nfs/dbraw/zinc/81/32/55/974813255.db2.gz KXACXBVTDHFXCM-UHFFFAOYSA-N 0 3 205.301 2.754 20 10 BFCDHN CC(C)CC[N@H+]1Cc2cccc([O-])c2C1 ZINC001331743169 974813259 /nfs/dbraw/zinc/81/32/59/974813259.db2.gz KXACXBVTDHFXCM-UHFFFAOYSA-N 0 3 205.301 2.754 20 10 BFCDHN CC[C@H]1CN(Cc2cccc(C)c2O)[C@@H](C)CO1 ZINC000403847875 971074890 /nfs/dbraw/zinc/07/48/90/971074890.db2.gz FPUXDTVOTSECEF-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccccc3[O-])C[C@@H]21 ZINC001170716812 971638272 /nfs/dbraw/zinc/63/82/72/971638272.db2.gz XSBIWFZIDJYPRM-CLLJXQQHSA-N 0 3 231.339 2.916 20 10 BFCDHN CCOC(C)(C)C[N@H+](C)Cc1ccccc1[O-] ZINC001209077745 957315687 /nfs/dbraw/zinc/31/56/87/957315687.db2.gz PZPNDNMSUCDUHX-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN CCOC(C)(C)C[N@@H+](C)Cc1ccccc1[O-] ZINC001209077745 957315693 /nfs/dbraw/zinc/31/56/93/957315693.db2.gz PZPNDNMSUCDUHX-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN Oc1ccc(O)c(CN2CC3(C2)CCCCC3)c1 ZINC001141161544 960415732 /nfs/dbraw/zinc/41/57/32/960415732.db2.gz UTPDIOHWCMKURD-UHFFFAOYSA-N 0 3 247.338 2.864 20 10 BFCDHN Cc1ccc(O)c(CN2CCCC(=O)[C@H](C)C2)c1 ZINC001140617262 960462603 /nfs/dbraw/zinc/46/26/03/960462603.db2.gz JFSOVXWXTMHHNA-GFCCVEGCSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1ccc(O)c(CN2CCC(=O)[C@H](C)CC2)c1 ZINC001140619623 960462963 /nfs/dbraw/zinc/46/29/63/960462963.db2.gz IXNPGMIOCIYUMK-GFCCVEGCSA-N 0 3 247.338 2.502 20 10 BFCDHN CC[N@H+](Cc1cc[nH]c1)Cc1ccccc1[O-] ZINC001140709237 960528856 /nfs/dbraw/zinc/52/88/56/960528856.db2.gz UJAQUYJGHOUTRV-UHFFFAOYSA-N 0 3 230.311 2.742 20 10 BFCDHN CC[N@@H+](Cc1cc[nH]c1)Cc1ccccc1[O-] ZINC001140709237 960528873 /nfs/dbraw/zinc/52/88/73/960528873.db2.gz UJAQUYJGHOUTRV-UHFFFAOYSA-N 0 3 230.311 2.742 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001140950959 960758296 /nfs/dbraw/zinc/75/82/96/960758296.db2.gz QOCNGVYXLHJSMF-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001140950959 960758303 /nfs/dbraw/zinc/75/83/03/960758303.db2.gz QOCNGVYXLHJSMF-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H](OC(C)C)C2)c([O-])c1 ZINC001140957514 960761273 /nfs/dbraw/zinc/76/12/73/960761273.db2.gz CCZNKKJERFFDEW-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c([O-])c1 ZINC001140957514 960761295 /nfs/dbraw/zinc/76/12/95/960761295.db2.gz CCZNKKJERFFDEW-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000697418845 963913818 /nfs/dbraw/zinc/91/38/18/963913818.db2.gz WDEROZONGKSQLN-UHFFFAOYSA-N 0 3 235.302 2.954 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(F)ccc1[O-] ZINC000698279318 965166195 /nfs/dbraw/zinc/16/61/95/965166195.db2.gz VDJRHPCBKRTVKG-GXSJLCMTSA-N 0 3 221.275 2.901 20 10 BFCDHN Oc1ccccc1CN1CC2(C1)CC(F)(F)C2 ZINC001203546864 966677959 /nfs/dbraw/zinc/67/79/59/966677959.db2.gz ATIMZUATGIXPSF-UHFFFAOYSA-N 0 3 239.265 2.623 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001203549895 966678988 /nfs/dbraw/zinc/67/89/88/966678988.db2.gz BRFLJZWSKGOQCR-GFCCVEGCSA-N 0 3 223.291 2.716 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001203549895 966678997 /nfs/dbraw/zinc/67/89/97/966678997.db2.gz BRFLJZWSKGOQCR-GFCCVEGCSA-N 0 3 223.291 2.716 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001203550536 966684508 /nfs/dbraw/zinc/68/45/08/966684508.db2.gz YEZRPVWLUQLBLJ-OAHLLOKOSA-N 0 3 247.338 2.537 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001203550536 966684525 /nfs/dbraw/zinc/68/45/25/966684525.db2.gz YEZRPVWLUQLBLJ-OAHLLOKOSA-N 0 3 247.338 2.537 20 10 BFCDHN Oc1ccc(CN2CCC23CCCC3)cc1O ZINC001203874775 966806801 /nfs/dbraw/zinc/80/68/01/966806801.db2.gz CUTVQICHCBOXAJ-UHFFFAOYSA-N 0 3 233.311 2.616 20 10 BFCDHN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(O)cc2[O-])C1 ZINC001204278267 966958617 /nfs/dbraw/zinc/95/86/17/966958617.db2.gz CLGBEENNXPTUJT-QWRGUYRKSA-N 0 3 235.327 2.576 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000822076431 968506072 /nfs/dbraw/zinc/50/60/72/968506072.db2.gz VUUUKMYUVSJIKU-TZMCWYRMSA-N 0 3 217.312 2.815 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC=CO1 ZINC001208881716 969272400 /nfs/dbraw/zinc/27/24/00/969272400.db2.gz DVQQIRDMBWRUPJ-CQSZACIVSA-N 0 3 247.338 2.907 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC=CO1 ZINC001208881716 969272402 /nfs/dbraw/zinc/27/24/02/969272402.db2.gz DVQQIRDMBWRUPJ-CQSZACIVSA-N 0 3 247.338 2.907 20 10 BFCDHN CC[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235445 970607626 /nfs/dbraw/zinc/60/76/26/970607626.db2.gz MIENZFXUFYRZBM-KBPBESRZSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235445 970607639 /nfs/dbraw/zinc/60/76/39/970607639.db2.gz MIENZFXUFYRZBM-KBPBESRZSA-N 0 3 249.354 2.782 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1CC2(C1)CCCC2 ZINC001328221519 972909753 /nfs/dbraw/zinc/90/97/53/972909753.db2.gz TXFUVHXHWCMEEC-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001328697931 973278201 /nfs/dbraw/zinc/27/82/01/973278201.db2.gz ZKPLUCNCFSDZDQ-UHFFFAOYSA-N 0 3 239.265 2.670 20 10 BFCDHN CO[C@@H]1CCC[C@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001172947557 975001701 /nfs/dbraw/zinc/00/17/01/975001701.db2.gz ZTAOOGCJEUWGPJ-UONOGXRCSA-N 0 3 249.354 2.782 20 10 BFCDHN CO[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001172947557 975001706 /nfs/dbraw/zinc/00/17/06/975001706.db2.gz ZTAOOGCJEUWGPJ-UONOGXRCSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173269303 975138546 /nfs/dbraw/zinc/13/85/46/975138546.db2.gz VEZXRHSUUXEZIN-JQWIXIFHSA-N 0 3 235.327 2.766 20 10 BFCDHN Cc1cc(C)c(CN2CCOCC2(C)C)c(O)c1 ZINC001231845569 977761628 /nfs/dbraw/zinc/76/16/28/977761628.db2.gz AVHWPVROKMWHRP-UHFFFAOYSA-N 0 3 249.354 2.620 20 10 BFCDHN C[N@@H+](Cc1ccc(O)cc1[O-])C[C@H]1CC1(C)C ZINC001204280466 978944833 /nfs/dbraw/zinc/94/48/33/978944833.db2.gz KFWABSBFCZFVES-LLVKDONJSA-N 0 3 235.327 2.576 20 10 BFCDHN C[N@H+](Cc1ccc(O)cc1[O-])C[C@H]1CC1(C)C ZINC001204280466 978944837 /nfs/dbraw/zinc/94/48/37/978944837.db2.gz KFWABSBFCZFVES-LLVKDONJSA-N 0 3 235.327 2.576 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2COC)c([O-])c1 ZINC001236783993 979728201 /nfs/dbraw/zinc/72/82/01/979728201.db2.gz QVGMLDRYSYRBJJ-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2COC)c([O-])c1 ZINC001236783993 979728215 /nfs/dbraw/zinc/72/82/15/979728215.db2.gz QVGMLDRYSYRBJJ-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN CCC[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236812630 979736222 /nfs/dbraw/zinc/73/62/22/979736222.db2.gz AFMWCRBMPUZAIO-UHFFFAOYSA-N 0 3 223.316 2.551 20 10 BFCDHN CCC[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236812630 979736229 /nfs/dbraw/zinc/73/62/29/979736229.db2.gz AFMWCRBMPUZAIO-UHFFFAOYSA-N 0 3 223.316 2.551 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)C2CC(C)C2)c([O-])c1 ZINC001236808715 979741570 /nfs/dbraw/zinc/74/15/70/979741570.db2.gz RMOMIPVECJTEJI-UHFFFAOYSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)C2CC(C)C2)c([O-])c1 ZINC001236808715 979741577 /nfs/dbraw/zinc/74/15/77/979741577.db2.gz RMOMIPVECJTEJI-UHFFFAOYSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C)c([O-])c1 ZINC001236818664 979746207 /nfs/dbraw/zinc/74/62/07/979746207.db2.gz QFNBBNDIBFEWQM-NSHDSACASA-N 0 3 235.327 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2C)c([O-])c1 ZINC001236818664 979746218 /nfs/dbraw/zinc/74/62/18/979746218.db2.gz QFNBBNDIBFEWQM-NSHDSACASA-N 0 3 235.327 2.694 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCCC23CC3)c([O-])c1 ZINC001237046174 979808362 /nfs/dbraw/zinc/80/83/62/979808362.db2.gz YQQQBKXGIRDDET-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCCC23CC3)c([O-])c1 ZINC001237046174 979808365 /nfs/dbraw/zinc/80/83/65/979808365.db2.gz YQQQBKXGIRDDET-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001237046644 979809252 /nfs/dbraw/zinc/80/92/52/979809252.db2.gz PEKOCBZLRIVXGR-SMDDNHRTSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001237046644 979809256 /nfs/dbraw/zinc/80/92/56/979809256.db2.gz PEKOCBZLRIVXGR-SMDDNHRTSA-N 0 3 247.338 2.775 20 10 BFCDHN Cc1cccc(O)c1CN1CCC(=O)[C@@H](C)CC1 ZINC001237486252 979908342 /nfs/dbraw/zinc/90/83/42/979908342.db2.gz ZRBJYSJRWQCSGF-LBPRGKRZSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001237483650 979910385 /nfs/dbraw/zinc/91/03/85/979910385.db2.gz QINRROOGAKZRRE-STQMWFEESA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc(O)c1CN1CCCC(=O)[C@@H](C)C1 ZINC001237481201 979911234 /nfs/dbraw/zinc/91/12/34/979911234.db2.gz DJOMLDWCDACKME-LBPRGKRZSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCCC12CC2 ZINC001237481793 979913801 /nfs/dbraw/zinc/91/38/01/979913801.db2.gz IBVAIOYSEDMYJH-UHFFFAOYSA-N 0 3 217.312 2.829 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCCC12CC2 ZINC001237481793 979913811 /nfs/dbraw/zinc/91/38/11/979913811.db2.gz IBVAIOYSEDMYJH-UHFFFAOYSA-N 0 3 217.312 2.829 20 10 BFCDHN Cc1cc(F)cc(C[NH+]2CC3CC(C3)C2)c1[O-] ZINC001238067520 980137654 /nfs/dbraw/zinc/13/76/54/980137654.db2.gz PQAGTXLTYBYRTF-UHFFFAOYSA-N 0 3 235.302 2.682 20 10 BFCDHN [O-]c1cccc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001203314976 982670653 /nfs/dbraw/zinc/67/06/53/982670653.db2.gz YENOQPKHWBEPHR-UHFFFAOYSA-N 0 3 239.318 2.951 20 10 BFCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001203314976 982670657 /nfs/dbraw/zinc/67/06/57/982670657.db2.gz YENOQPKHWBEPHR-UHFFFAOYSA-N 0 3 239.318 2.951 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCS[C@@H]2C)c([O-])c1 ZINC000877607278 983955265 /nfs/dbraw/zinc/95/52/65/983955265.db2.gz CLLQGWBGCSYIIZ-ZYHUDNBSSA-N 0 3 237.368 2.684 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000133167064 984080105 /nfs/dbraw/zinc/08/01/05/984080105.db2.gz DFUULTUZTXZYNT-CYBMUJFWSA-N 0 3 247.338 2.584 20 10 BFCDHN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CO1 ZINC000688440590 985638990 /nfs/dbraw/zinc/63/89/90/985638990.db2.gz UPKAOULDGYYTFF-SDDRHHMPSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000379919127 986684335 /nfs/dbraw/zinc/68/43/35/986684335.db2.gz GBESBTWEGLGKSM-CBAPKCEASA-N 0 3 209.264 2.689 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCSC1 ZINC001255289854 986891698 /nfs/dbraw/zinc/89/16/98/986891698.db2.gz BZWARTWRKYGYFA-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCSC1 ZINC001255289854 986891702 /nfs/dbraw/zinc/89/17/02/986891702.db2.gz BZWARTWRKYGYFA-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN COc1ccc(C[NH2+][C@@H](C)[C@H]2CC2(C)C)c([O-])c1 ZINC000397659494 986997543 /nfs/dbraw/zinc/99/75/43/986997543.db2.gz DZUFBYHVWIULTR-GXFFZTMASA-N 0 3 249.354 2.925 20 10 BFCDHN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])CC1CC1 ZINC001474387123 987710074 /nfs/dbraw/zinc/71/00/74/987710074.db2.gz VVHDDVVQRVVQOL-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])CC1CC1 ZINC001474387123 987710076 /nfs/dbraw/zinc/71/00/76/987710076.db2.gz VVHDDVVQRVVQOL-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN C[C@]1(F)CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137833110 990857378 /nfs/dbraw/zinc/85/73/78/990857378.db2.gz SZJSUMZGEPCNAB-ZDUSSCGKSA-N 0 3 241.281 2.855 20 10 BFCDHN C[C@]1(F)CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137833110 990857383 /nfs/dbraw/zinc/85/73/83/990857383.db2.gz SZJSUMZGEPCNAB-ZDUSSCGKSA-N 0 3 241.281 2.855 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001140057697 991508702 /nfs/dbraw/zinc/50/87/02/991508702.db2.gz KPAJJMAGFRZJAO-NSHDSACASA-N 0 3 241.281 2.855 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001140057697 991508710 /nfs/dbraw/zinc/50/87/10/991508710.db2.gz KPAJJMAGFRZJAO-NSHDSACASA-N 0 3 241.281 2.855 20 10 BFCDHN Cc1ccc(C)c(CN2CC[C@H](F)C2)c1O ZINC001140178385 991551067 /nfs/dbraw/zinc/55/10/67/991551067.db2.gz KAXCZTFTFLUAOO-NSHDSACASA-N 0 3 223.291 2.553 20 10 BFCDHN Cc1ccc(C)c(CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC001140180703 991551998 /nfs/dbraw/zinc/55/19/98/991551998.db2.gz OGNZSRQUKUAVMM-CHWSQXEVSA-N 0 3 249.354 2.618 20 10 BFCDHN CCC(CC)(C[NH2+]Cc1ccccc1[O-])OC ZINC000291684953 168325979 /nfs/dbraw/zinc/32/59/79/168325979.db2.gz IEGKELDIBWWYAW-UHFFFAOYSA-N 0 3 237.343 2.687 20 10 BFCDHN Cc1cc(Cl)cc(C[NH+]2CCCC2)c1[O-] ZINC000183454351 178064168 /nfs/dbraw/zinc/06/41/68/178064168.db2.gz UDAUHNCQVJFUSB-UHFFFAOYSA-N 0 3 225.719 2.950 20 10 BFCDHN C[C@@H](CCCCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296252026 398209456 /nfs/dbraw/zinc/20/94/56/398209456.db2.gz CXZCRDJTFWEMKQ-AAEUAGOBSA-N 0 3 249.354 2.520 20 10 BFCDHN Cc1cc(O)c(CN2CCO[C@@H](C)[C@@H]2C)cc1C ZINC000164338908 178195638 /nfs/dbraw/zinc/19/56/38/178195638.db2.gz VDCDGIJIUBZLSR-STQMWFEESA-N 0 3 249.354 2.618 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C2CCC2)cc1C ZINC000266240194 178197599 /nfs/dbraw/zinc/19/75/99/178197599.db2.gz XAKYDXGCKYPHAV-UHFFFAOYSA-N 0 3 205.301 2.651 20 10 BFCDHN CCC(CC)[NH2+]Cc1cccc(C)c1[O-] ZINC000162822172 168390407 /nfs/dbraw/zinc/39/04/07/168390407.db2.gz GUPXSIGVNHIVQD-UHFFFAOYSA-N 0 3 207.317 2.979 20 10 BFCDHN COC1(C[NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000187448003 187249298 /nfs/dbraw/zinc/24/92/98/187249298.db2.gz OFEQFVZEUIEUBV-UHFFFAOYSA-N 0 3 249.354 2.831 20 10 BFCDHN CCN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000038097910 343370994 /nfs/dbraw/zinc/37/09/94/343370994.db2.gz ZDLAIEDJZLRYIB-LBPRGKRZSA-N 0 3 248.370 2.527 20 10 BFCDHN CC[C@H]([NH2+]CCCCOC)c1ccccc1[O-] ZINC000044655948 343511268 /nfs/dbraw/zinc/51/12/68/343511268.db2.gz DRVBOQXTPJMRLO-ZDUSSCGKSA-N 0 3 237.343 2.860 20 10 BFCDHN CCC1(C)CN(Cc2cc(OC)ccc2O)C1 ZINC000297472246 168452284 /nfs/dbraw/zinc/45/22/84/168452284.db2.gz SQDWYAYWBMDDKK-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@@H]([NH2+]C[C@](C)(O)CC)c1ccccc1[O-] ZINC000087013410 344227331 /nfs/dbraw/zinc/22/73/31/344227331.db2.gz SNIPETYAPCLPKF-TZMCWYRMSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1[O-] ZINC000109543251 344529617 /nfs/dbraw/zinc/52/96/17/344529617.db2.gz KICVYHKRPJTBJJ-DGCLKSJQSA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000168799014 178804797 /nfs/dbraw/zinc/80/47/97/178804797.db2.gz JHKYFRKAUOYUQW-RWMBFGLXSA-N 0 3 249.354 2.776 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C[C@H](C)OC ZINC000291025218 346247345 /nfs/dbraw/zinc/24/73/45/346247345.db2.gz DDMCNVOTWWRPJN-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C[C@H](C)OC ZINC000291025218 346247346 /nfs/dbraw/zinc/24/73/46/346247346.db2.gz DDMCNVOTWWRPJN-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1cccc(C[N@H+](C)CCOCC2CC2)c1[O-] ZINC000180581496 179067400 /nfs/dbraw/zinc/06/74/00/179067400.db2.gz SVBLTYYNBLVOHQ-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(C[N@@H+](C)CCOCC2CC2)c1[O-] ZINC000180581496 179067404 /nfs/dbraw/zinc/06/74/04/179067404.db2.gz SVBLTYYNBLVOHQ-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000180685943 179078985 /nfs/dbraw/zinc/07/89/85/179078985.db2.gz HMDOBMZIMKNMGO-PWSUYJOCSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000180685943 179078987 /nfs/dbraw/zinc/07/89/87/179078987.db2.gz HMDOBMZIMKNMGO-PWSUYJOCSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000162820363 179084980 /nfs/dbraw/zinc/08/49/80/179084980.db2.gz YHSLIBMTTBWANZ-RYUDHWBXSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1cccc(C[NH2+]CC2CCC2)c1[O-] ZINC000162832338 179089536 /nfs/dbraw/zinc/08/95/36/179089536.db2.gz GLQXESQQJWLXPR-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN Cc1cccc(C[NH2+]CC2CCCC2)c1[O-] ZINC000162827332 179091100 /nfs/dbraw/zinc/09/11/00/179091100.db2.gz MOQWKXYYQPVHEU-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1cccc(C[NH2+]C[C@@H]2CCSC2)c1[O-] ZINC000228553725 179094516 /nfs/dbraw/zinc/09/45/16/179094516.db2.gz LKDFXHKIGPBRBV-NSHDSACASA-N 0 3 237.368 2.543 20 10 BFCDHN Cc1cccc(CN[C@@H](C)c2cccnc2)c1O ZINC000161122108 179098108 /nfs/dbraw/zinc/09/81/08/179098108.db2.gz ZOFFWXIIJXLBFN-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H](C)c2cccnc2)c1[O-] ZINC000161122108 179098111 /nfs/dbraw/zinc/09/81/11/179098111.db2.gz ZOFFWXIIJXLBFN-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2CSC2(C)C)c1[O-] ZINC000282836438 179099961 /nfs/dbraw/zinc/09/99/61/179099961.db2.gz CEVIBWHTRIFYIS-LLVKDONJSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1cccc(C[NH2+][C@H](C)C2CCOCC2)c1[O-] ZINC000224908564 179100493 /nfs/dbraw/zinc/10/04/93/179100493.db2.gz HBAJJDBDWNNEJZ-GFCCVEGCSA-N 0 3 249.354 2.605 20 10 BFCDHN COCCCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000224572777 350327744 /nfs/dbraw/zinc/32/77/44/350327744.db2.gz JDMSXOXNFROWQA-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccccc1[O-] ZINC000290265512 352217854 /nfs/dbraw/zinc/21/78/54/352217854.db2.gz VRPYIVCUWVQGTP-NQBHXWOUSA-N 0 3 237.343 2.856 20 10 BFCDHN CO[C@@]1(C)CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000230299856 353491016 /nfs/dbraw/zinc/49/10/16/353491016.db2.gz DLXKPUJHCMTEQK-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@]1(C)CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000230299856 353491017 /nfs/dbraw/zinc/49/10/17/353491017.db2.gz DLXKPUJHCMTEQK-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168827182 357261520 /nfs/dbraw/zinc/26/15/20/357261520.db2.gz DIXDLNKNISXQDR-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc(O)c(CN(C)Cc2ccccn2)c1 ZINC000034083030 368262527 /nfs/dbraw/zinc/26/25/27/368262527.db2.gz OMWZQSUEWQWTHR-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CCC[N@H+](CC)Cc1cc(OC)ccc1[O-] ZINC000132553866 169129969 /nfs/dbraw/zinc/12/99/69/169129969.db2.gz KZFROBDQQVEPSP-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCC[N@@H+](CC)Cc1cc(OC)ccc1[O-] ZINC000132553866 169129973 /nfs/dbraw/zinc/12/99/73/169129973.db2.gz KZFROBDQQVEPSP-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000361056314 183275801 /nfs/dbraw/zinc/27/58/01/183275801.db2.gz YNKQMZYFZFTVHU-NSHDSACASA-N 0 3 235.302 2.763 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000361056314 183275802 /nfs/dbraw/zinc/27/58/02/183275802.db2.gz YNKQMZYFZFTVHU-NSHDSACASA-N 0 3 235.302 2.763 20 10 BFCDHN CCC[N@H+](CCC(=O)CC)Cc1ccccc1[O-] ZINC000190257751 169137549 /nfs/dbraw/zinc/13/75/49/169137549.db2.gz NJKRGUIHFFXRAJ-UHFFFAOYSA-N 0 3 249.354 2.973 20 10 BFCDHN CCC[N@@H+](CCC(=O)CC)Cc1ccccc1[O-] ZINC000190257751 169137551 /nfs/dbraw/zinc/13/75/51/169137551.db2.gz NJKRGUIHFFXRAJ-UHFFFAOYSA-N 0 3 249.354 2.973 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCCC1)CC2 ZINC000258189272 183296671 /nfs/dbraw/zinc/29/66/71/183296671.db2.gz CTYUEAODUAOVPM-GFCCVEGCSA-N 0 3 217.312 2.912 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1CC(F)(F)C1 ZINC000291657631 183302064 /nfs/dbraw/zinc/30/20/64/183302064.db2.gz DNUHEZPAUVWZJE-UHFFFAOYSA-N 0 3 227.254 2.527 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCOCC12CCCC2 ZINC000271257891 183302598 /nfs/dbraw/zinc/30/25/98/183302598.db2.gz HNVHRBCMIJSBQM-UHFFFAOYSA-N 0 3 247.338 2.537 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCOCC12CCCC2 ZINC000271257891 183302600 /nfs/dbraw/zinc/30/26/00/183302600.db2.gz HNVHRBCMIJSBQM-UHFFFAOYSA-N 0 3 247.338 2.537 20 10 BFCDHN c1cc(CNCc2ccc3c(c2)CCO3)cs1 ZINC000058062577 183352792 /nfs/dbraw/zinc/35/27/92/183352792.db2.gz GKINLYOHVBVBGN-UHFFFAOYSA-N 0 3 245.347 2.973 20 10 BFCDHN CCC[C@]1([NH2+]Cc2cc(C)ccc2[O-])CCOC1 ZINC000285402495 169559059 /nfs/dbraw/zinc/55/90/59/169559059.db2.gz FFZSPBHVIYBMAF-HNNXBMFYSA-N 0 3 249.354 2.749 20 10 BFCDHN CC[C@H]([NH2+]CC1CCOCC1)c1ccccc1[O-] ZINC000111155040 383838452 /nfs/dbraw/zinc/83/84/52/383838452.db2.gz CMGXASRDHHREBQ-AWEZNQCLSA-N 0 3 249.354 2.860 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCOCC2)c1 ZINC000036319525 383895623 /nfs/dbraw/zinc/89/56/23/383895623.db2.gz YJYMUDTYDDHKDF-LLVKDONJSA-N 0 3 235.327 2.530 20 10 BFCDHN C[C@H](CCCCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000296266977 384010671 /nfs/dbraw/zinc/01/06/71/384010671.db2.gz DMIOAKUXFAVNIE-VXGBXAGGSA-N 0 3 237.343 2.594 20 10 BFCDHN COc1cc(Cl)cc(C[NH2+]C(C)C)c1[O-] ZINC000076274306 384058904 /nfs/dbraw/zinc/05/89/04/384058904.db2.gz RYHQXICNNKMHHH-UHFFFAOYSA-N 0 3 229.707 2.552 20 10 BFCDHN CC[C@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000091929976 384154252 /nfs/dbraw/zinc/15/42/52/384154252.db2.gz JKQKTNMIIBAACG-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000091929976 384154256 /nfs/dbraw/zinc/15/42/56/384154256.db2.gz JKQKTNMIIBAACG-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000070955746 384144168 /nfs/dbraw/zinc/14/41/68/384144168.db2.gz XBERAGVIKDVRBH-AAEUAGOBSA-N 0 3 219.328 2.979 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])CC(C)(C)C ZINC000132698585 384199849 /nfs/dbraw/zinc/19/98/49/384199849.db2.gz ZUPVTQGEYQUKFX-UHFFFAOYSA-N 0 3 207.317 2.870 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)C ZINC000132698585 384199856 /nfs/dbraw/zinc/19/98/56/384199856.db2.gz ZUPVTQGEYQUKFX-UHFFFAOYSA-N 0 3 207.317 2.870 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000132466523 384231842 /nfs/dbraw/zinc/23/18/42/384231842.db2.gz URLBJDZOHMWJQU-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000132466523 384231846 /nfs/dbraw/zinc/23/18/46/384231846.db2.gz URLBJDZOHMWJQU-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@@H](O)CC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000119248928 384249455 /nfs/dbraw/zinc/24/94/55/384249455.db2.gz JHIJAADORWYRJV-YPMHNXCESA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCO)c([O-])c1 ZINC000094942339 384319311 /nfs/dbraw/zinc/31/93/11/384319311.db2.gz NNJWYSRPVANAFM-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN CCC1(C[NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000133359748 384288766 /nfs/dbraw/zinc/28/87/66/384288766.db2.gz MTHNOBXZWQDCRB-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN C[C@@H]([NH2+]CCC1CC1)c1ccccc1[O-] ZINC000083893878 384340946 /nfs/dbraw/zinc/34/09/46/384340946.db2.gz RHLPIUZLURQTRZ-SNVBAGLBSA-N 0 3 205.301 2.843 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1[O-] ZINC000134245409 384343181 /nfs/dbraw/zinc/34/31/81/384343181.db2.gz RDOLLKRDDIYWOE-WXHSDQCUSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@@H]([NH2+]CCCCOC)c1ccccc1[O-] ZINC000044655951 384352738 /nfs/dbraw/zinc/35/27/38/384352738.db2.gz DRVBOQXTPJMRLO-CYBMUJFWSA-N 0 3 237.343 2.860 20 10 BFCDHN COC[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000045657301 384402937 /nfs/dbraw/zinc/40/29/37/384402937.db2.gz XEINJWIJBWXEKB-NWDGAFQWSA-N 0 3 237.343 2.634 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000076771292 384384476 /nfs/dbraw/zinc/38/44/76/384384476.db2.gz LOMISWPCKFAIPB-CYBMUJFWSA-N 0 3 217.312 2.899 20 10 BFCDHN COC[C@@]1(C)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294206703 384590424 /nfs/dbraw/zinc/59/04/24/384590424.db2.gz MFNKBCVKYRTVBD-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@]1(C)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294206703 384590431 /nfs/dbraw/zinc/59/04/31/384590431.db2.gz MFNKBCVKYRTVBD-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000051994299 384706694 /nfs/dbraw/zinc/70/66/94/384706694.db2.gz UYZJSJVUXLEGLI-UBHSHLNASA-N 0 3 249.354 2.655 20 10 BFCDHN CO[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000102766520 384730356 /nfs/dbraw/zinc/73/03/56/384730356.db2.gz GPXVOCRAWSFZIV-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN CO[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000102766520 384730361 /nfs/dbraw/zinc/73/03/61/384730361.db2.gz GPXVOCRAWSFZIV-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000186793528 384883211 /nfs/dbraw/zinc/88/32/11/384883211.db2.gz FSAIBAAZVDIQDU-UXIGCNINSA-N 0 3 249.354 2.655 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000128446093 385037824 /nfs/dbraw/zinc/03/78/24/385037824.db2.gz RSIOSWZDHMAXNL-BZPMIXESSA-N 0 3 249.354 2.858 20 10 BFCDHN CCOC[C@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000188863878 385097448 /nfs/dbraw/zinc/09/74/48/385097448.db2.gz MTZYLRUOQMXAJS-ZDUSSCGKSA-N 0 3 237.343 2.543 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000109544677 385172979 /nfs/dbraw/zinc/17/29/79/385172979.db2.gz JIBPEPCWQRQIQV-RYUDHWBXSA-N 0 3 235.327 2.530 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000109544668 385173516 /nfs/dbraw/zinc/17/35/16/385173516.db2.gz JIBPEPCWQRQIQV-VXGBXAGGSA-N 0 3 235.327 2.530 20 10 BFCDHN CC[C@H]([NH2+]C1CC1)c1ccc(C)cc1[O-] ZINC000280094016 385254296 /nfs/dbraw/zinc/25/42/96/385254296.db2.gz MRKYSBGEBDZYJC-LBPRGKRZSA-N 0 3 205.301 2.904 20 10 BFCDHN COc1cc(Cl)cc(C[NH+]2CCCC2)c1[O-] ZINC000129940286 385204045 /nfs/dbraw/zinc/20/40/45/385204045.db2.gz SWLOAZKLPNTGBG-UHFFFAOYSA-N 0 3 241.718 2.650 20 10 BFCDHN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000191644309 385313275 /nfs/dbraw/zinc/31/32/75/385313275.db2.gz KSQINGXFYMMBHF-AEJSXWLSSA-N 0 3 241.306 2.605 20 10 BFCDHN CC[C@H](O)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000168824818 385389069 /nfs/dbraw/zinc/38/90/69/385389069.db2.gz DLJVOMDDUDZAEA-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H](O)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000168824636 385389552 /nfs/dbraw/zinc/38/95/52/385389552.db2.gz DLJVOMDDUDZAEA-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCCCO)c1 ZINC000192934090 385376086 /nfs/dbraw/zinc/37/60/86/385376086.db2.gz NODATBNPXZDPSD-GFCCVEGCSA-N 0 3 237.343 2.514 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000168801479 385386889 /nfs/dbraw/zinc/38/68/89/385386889.db2.gz IZIBXPXEWSGANZ-FRRDWIJNSA-N 0 3 249.354 2.776 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC=CO1 ZINC000193757383 385411364 /nfs/dbraw/zinc/41/13/64/385411364.db2.gz XOGJZQNNXSOETQ-CYBMUJFWSA-N 0 3 233.311 2.517 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC=CO1 ZINC000193757383 385411367 /nfs/dbraw/zinc/41/13/67/385411367.db2.gz XOGJZQNNXSOETQ-CYBMUJFWSA-N 0 3 233.311 2.517 20 10 BFCDHN CC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000179666370 385482407 /nfs/dbraw/zinc/48/24/07/385482407.db2.gz KYWVPFPYIOWTOV-UHFFFAOYSA-N 0 3 213.708 2.806 20 10 BFCDHN CC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000179666370 385482412 /nfs/dbraw/zinc/48/24/12/385482412.db2.gz KYWVPFPYIOWTOV-UHFFFAOYSA-N 0 3 213.708 2.806 20 10 BFCDHN CCOC[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180621878 385534497 /nfs/dbraw/zinc/53/44/97/385534497.db2.gz YPWQBNGDNJHDAX-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180621878 385534501 /nfs/dbraw/zinc/53/45/01/385534501.db2.gz YPWQBNGDNJHDAX-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC ZINC000290158904 385626733 /nfs/dbraw/zinc/62/67/33/385626733.db2.gz LUUBQYJXEAVVFC-ONGXEEELSA-N 0 3 241.306 2.607 20 10 BFCDHN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccccc1[O-] ZINC000290165225 385649578 /nfs/dbraw/zinc/64/95/78/385649578.db2.gz MFPDVVQOQGBNMC-SMDDNHRTSA-N 0 3 249.354 2.594 20 10 BFCDHN CCSCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000282407326 385759535 /nfs/dbraw/zinc/75/95/35/385759535.db2.gz HVSBHYROEIGOJR-UHFFFAOYSA-N 0 3 243.347 2.764 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1[O-] ZINC000183564825 385771244 /nfs/dbraw/zinc/77/12/44/385771244.db2.gz IJKAPYZBFPVDCX-VXGBXAGGSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc(O)c(CN2CCC[C@H]2CF)c1 ZINC000294102771 385806290 /nfs/dbraw/zinc/80/62/90/385806290.db2.gz SEDIEDUVCGXSCR-LBPRGKRZSA-N 0 3 223.291 2.635 20 10 BFCDHN CO[C@@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285112486 385899642 /nfs/dbraw/zinc/89/96/42/385899642.db2.gz KUDAAINVCUBQTH-NWDGAFQWSA-N 0 3 237.343 2.695 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)c([O-])c1C ZINC000273374693 385994663 /nfs/dbraw/zinc/99/46/63/385994663.db2.gz GXQCUJYVUAFQAN-STQMWFEESA-N 0 3 249.354 2.696 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])CC1(C)C ZINC000294988196 385935521 /nfs/dbraw/zinc/93/55/21/385935521.db2.gz KKEYWTSAHIWHNY-CQSZACIVSA-N 0 3 249.354 2.639 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CC1(C)C ZINC000294988196 385935529 /nfs/dbraw/zinc/93/55/29/385935529.db2.gz KKEYWTSAHIWHNY-CQSZACIVSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@H]([NH2+]Cc1cccn1C)c1ccccc1[O-] ZINC000272821362 385940187 /nfs/dbraw/zinc/94/01/87/385940187.db2.gz FUSWYSXWLJVQIG-NSHDSACASA-N 0 3 230.311 2.582 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000096477969 385965781 /nfs/dbraw/zinc/96/57/81/385965781.db2.gz UNKTXYBPXMUQFS-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000096477969 385965786 /nfs/dbraw/zinc/96/57/86/385965786.db2.gz UNKTXYBPXMUQFS-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c([O-])c1C ZINC000273386997 385994510 /nfs/dbraw/zinc/99/45/10/385994510.db2.gz JSWBUNYVUFVEPZ-CHWSQXEVSA-N 0 3 249.354 2.839 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)c([O-])c1C ZINC000273374691 385994522 /nfs/dbraw/zinc/99/45/22/385994522.db2.gz GXQCUJYVUAFQAN-QWHCGFSZSA-N 0 3 249.354 2.696 20 10 BFCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000290142347 386398928 /nfs/dbraw/zinc/39/89/28/386398928.db2.gz KSQINGXFYMMBHF-BBBLOLIVSA-N 0 3 241.306 2.605 20 10 BFCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000290138887 386399541 /nfs/dbraw/zinc/39/95/41/386399541.db2.gz KLIRFMQZHATSLT-WOPDTQHZSA-N 0 3 237.343 2.775 20 10 BFCDHN CC[C@H]([NH2+]C1CCOCC1)c1ccc(C)cc1[O-] ZINC000279928044 386756934 /nfs/dbraw/zinc/75/69/34/386756934.db2.gz AMAQZWVYOPMACV-AWEZNQCLSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000279983244 386766146 /nfs/dbraw/zinc/76/61/46/386766146.db2.gz DTYHAXVQUNJOAC-GXTWGEPZSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000279983245 386767538 /nfs/dbraw/zinc/76/75/38/386767538.db2.gz DTYHAXVQUNJOAC-JSGCOSHPSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@H]([NH2+]CCCCO)c1ccc(C)cc1[O-] ZINC000280020318 386768395 /nfs/dbraw/zinc/76/83/95/386768395.db2.gz HKAOBFSYIWUTQJ-ZDUSSCGKSA-N 0 3 237.343 2.514 20 10 BFCDHN CO[C@@H](C[NH2+]Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000293062702 386773815 /nfs/dbraw/zinc/77/38/15/386773815.db2.gz SHUJSLJUMSSIMB-HNNXBMFYSA-N 0 3 249.354 2.524 20 10 BFCDHN CCN(CC)c1ccc(CNCCF)cc1 ZINC000280654289 386831148 /nfs/dbraw/zinc/83/11/48/386831148.db2.gz KGVXQWUEOJKWSR-UHFFFAOYSA-N 0 3 224.323 2.592 20 10 BFCDHN CO[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000370709944 387137168 /nfs/dbraw/zinc/13/71/68/387137168.db2.gz SGKLXOOGMWJKOK-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000370709944 387137172 /nfs/dbraw/zinc/13/71/72/387137172.db2.gz SGKLXOOGMWJKOK-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC(F)(F)CC[NH2+]Cc1ccccc1[O-] ZINC000294238154 387591465 /nfs/dbraw/zinc/59/14/65/387591465.db2.gz OYKULFGVGWCQDG-UHFFFAOYSA-N 0 3 215.243 2.527 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCOC(C)C)c1 ZINC000168875600 387797169 /nfs/dbraw/zinc/79/71/69/387797169.db2.gz DOYLEYAKCASONW-LBPRGKRZSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168826911 387798086 /nfs/dbraw/zinc/79/80/86/387798086.db2.gz DIXDLNKNISXQDR-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@@H]([NH2+]CC12CC(C1)CO2)c1ccccc1[O-] ZINC000527983868 387801338 /nfs/dbraw/zinc/80/13/38/387801338.db2.gz VMNVPCFOPNIBSI-GLWUULTISA-N 0 3 247.338 2.612 20 10 BFCDHN CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168772496 387801341 /nfs/dbraw/zinc/80/13/41/387801341.db2.gz YQPXXLLCUBGGLL-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000134492812 387806925 /nfs/dbraw/zinc/80/69/25/387806925.db2.gz VKRUYZRWFSYHEM-LBPRGKRZSA-N 0 3 249.354 2.605 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000527974144 387813981 /nfs/dbraw/zinc/81/39/81/387813981.db2.gz LLESEHROZVXBIN-GDLCADMTSA-N 0 3 235.327 2.610 20 10 BFCDHN CCOc1cccc(C[NH2+][C@@H]2CC=CCC2)c1[O-] ZINC000080123679 387978400 /nfs/dbraw/zinc/97/84/00/387978400.db2.gz SKFBJXORXICQRV-CYBMUJFWSA-N 0 3 247.338 2.989 20 10 BFCDHN COCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000081705472 388010676 /nfs/dbraw/zinc/01/06/76/388010676.db2.gz GPJGULKGCCCYHF-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN CS[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000163995472 388122572 /nfs/dbraw/zinc/12/25/72/388122572.db2.gz JKZQAHIKOOXADD-VHSXEESVSA-N 0 3 225.357 2.794 20 10 BFCDHN CCC1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000294876989 388405931 /nfs/dbraw/zinc/40/59/31/388405931.db2.gz VEYLODLDMBCJJV-UHFFFAOYSA-N 0 3 209.264 2.564 20 10 BFCDHN CC(C)C1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000293757246 388391501 /nfs/dbraw/zinc/39/15/01/388391501.db2.gz XJRRMDAJWWNXPP-UHFFFAOYSA-N 0 3 223.291 2.810 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000295797268 388414842 /nfs/dbraw/zinc/41/48/42/388414842.db2.gz BWSHUUMOFNEQLP-BXKDBHETSA-N 0 3 217.312 2.768 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296746638 388426591 /nfs/dbraw/zinc/42/65/91/388426591.db2.gz JPXLOUCSVGQYRA-RAIGVLPGSA-N 0 3 247.338 2.537 20 10 BFCDHN CCC(O)(CC)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297919024 388433198 /nfs/dbraw/zinc/43/31/98/388433198.db2.gz XCAOPQRGIGERBY-LBPRGKRZSA-N 0 3 249.354 2.520 20 10 BFCDHN CCOc1cccc(CN2CC=C(C)CC2)c1O ZINC000271162126 397964452 /nfs/dbraw/zinc/96/44/52/397964452.db2.gz DREDPJJHOQHGKZ-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC=C(C)CC2)c1[O-] ZINC000271162126 397964455 /nfs/dbraw/zinc/96/44/55/397964455.db2.gz DREDPJJHOQHGKZ-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC=C(C)CC2)c1[O-] ZINC000271162126 397964459 /nfs/dbraw/zinc/96/44/59/397964459.db2.gz DREDPJJHOQHGKZ-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN Cc1cccc(C[N@H+]2CCC=C(C)C2)c1[O-] ZINC000281719432 168099473 /nfs/dbraw/zinc/09/94/73/168099473.db2.gz FBRTUIONYZXWFU-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCC=C(C)C2)c1[O-] ZINC000281719432 168099475 /nfs/dbraw/zinc/09/94/75/168099475.db2.gz FBRTUIONYZXWFU-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN CC1=CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000281910941 168100940 /nfs/dbraw/zinc/10/09/40/168100940.db2.gz YDWPBEWTGXVGBA-UHFFFAOYSA-N 0 3 203.285 2.544 20 10 BFCDHN CC1=CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000281910941 168100941 /nfs/dbraw/zinc/10/09/41/168100941.db2.gz YDWPBEWTGXVGBA-UHFFFAOYSA-N 0 3 203.285 2.544 20 10 BFCDHN CC1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000019917837 168164380 /nfs/dbraw/zinc/16/43/80/168164380.db2.gz SXFDMAYARJPDAX-UHFFFAOYSA-N 0 3 235.327 2.766 20 10 BFCDHN CO[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000276998661 411443651 /nfs/dbraw/zinc/44/36/51/411443651.db2.gz YWHLMMKOONNMTJ-ZYHUDNBSSA-N 0 3 237.343 2.695 20 10 BFCDHN CCOC(C)(C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000159239757 170312773 /nfs/dbraw/zinc/31/27/73/170312773.db2.gz LGSWBKQZFWFTAW-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CCOC(C)(C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000159214797 170312838 /nfs/dbraw/zinc/31/28/38/170312838.db2.gz HJBSGUOUWBKBDT-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CCOCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628711 170381426 /nfs/dbraw/zinc/38/14/26/170381426.db2.gz DNFMTDKMSVJDMN-LBPRGKRZSA-N 0 3 237.343 2.778 20 10 BFCDHN CCOCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020092265 170381721 /nfs/dbraw/zinc/38/17/21/170381721.db2.gz JPTQMJOYVLRQBT-LBPRGKRZSA-N 0 3 237.343 2.778 20 10 BFCDHN CC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295853768 171347367 /nfs/dbraw/zinc/34/73/67/171347367.db2.gz GGHYAUGODOSSSN-GXSJLCMTSA-N 0 3 205.301 2.768 20 10 BFCDHN CC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019882439 171347857 /nfs/dbraw/zinc/34/78/57/171347857.db2.gz GKLQYRWDHCHDHX-VHSXEESVSA-N 0 3 223.316 2.850 20 10 BFCDHN CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000042552013 171389434 /nfs/dbraw/zinc/38/94/34/171389434.db2.gz HDCBCXLJAVLQAF-QWRGUYRKSA-N 0 3 237.343 2.925 20 10 BFCDHN COCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCC1 ZINC000282812155 174105062 /nfs/dbraw/zinc/10/50/62/174105062.db2.gz RIQSJVIOHNANRW-GFCCVEGCSA-N 0 3 249.354 2.860 20 10 BFCDHN COCC1(NCc2ccc(OC)c(C)c2)CCC1 ZINC000284156231 174109454 /nfs/dbraw/zinc/10/94/54/174109454.db2.gz WAJQEUAKMGCHMD-UHFFFAOYSA-N 0 3 249.354 2.662 20 10 BFCDHN COCCC1(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183621957 174155721 /nfs/dbraw/zinc/15/57/21/174155721.db2.gz YDAAQALIYLGVJQ-GFCCVEGCSA-N 0 3 249.354 2.860 20 10 BFCDHN COCCCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000113330984 174182749 /nfs/dbraw/zinc/18/27/49/174182749.db2.gz XLEMIOPHPXCJHH-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN COCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000020142676 174251131 /nfs/dbraw/zinc/25/11/31/174251131.db2.gz BQIZWMIQJNOXAC-RYUDHWBXSA-N 0 3 249.354 2.875 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)CC(C)(C)C)c1 ZINC000133371856 175157457 /nfs/dbraw/zinc/15/74/57/175157457.db2.gz CRIWCVZECQURAT-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000133371856 175157459 /nfs/dbraw/zinc/15/74/59/175157459.db2.gz CRIWCVZECQURAT-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000284319193 175159458 /nfs/dbraw/zinc/15/94/58/175159458.db2.gz LRSGTPARSQHPSK-ZDUSSCGKSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC2CC2)c1 ZINC000088454492 175159795 /nfs/dbraw/zinc/15/97/95/175159795.db2.gz ZHBHRRWOTYOHNN-SNVBAGLBSA-N 0 3 235.327 2.852 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000093480916 175260202 /nfs/dbraw/zinc/26/02/02/175260202.db2.gz GTMJNDPMFJMEMH-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000093480916 175260203 /nfs/dbraw/zinc/26/02/03/175260203.db2.gz GTMJNDPMFJMEMH-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(CNCc2ccsc2)c1O ZINC000060942059 175265398 /nfs/dbraw/zinc/26/53/98/175265398.db2.gz NFUQBBPECIKIRZ-UHFFFAOYSA-N 0 3 249.335 2.752 20 10 BFCDHN COc1cccc(C[NH2+]Cc2cccs2)c1[O-] ZINC000020139067 175265715 /nfs/dbraw/zinc/26/57/15/175265715.db2.gz XIANJOZKJCFYKU-UHFFFAOYSA-N 0 3 249.335 2.752 20 10 BFCDHN COc1cccc(CNCc2cccs2)c1O ZINC000020139067 175265716 /nfs/dbraw/zinc/26/57/16/175265716.db2.gz XIANJOZKJCFYKU-UHFFFAOYSA-N 0 3 249.335 2.752 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1[O-] ZINC000293888507 175267241 /nfs/dbraw/zinc/26/72/41/175267241.db2.gz KEAOBNVIYMMFHO-CYBMUJFWSA-N 0 3 247.338 2.989 20 10 BFCDHN C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000028221928 176073832 /nfs/dbraw/zinc/07/38/32/176073832.db2.gz HPRSNHFUBIKBQG-LLVKDONJSA-N 0 3 205.301 2.767 20 10 BFCDHN C[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000028221928 176073834 /nfs/dbraw/zinc/07/38/34/176073834.db2.gz HPRSNHFUBIKBQG-LLVKDONJSA-N 0 3 205.301 2.767 20 10 BFCDHN C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000070826304 176131671 /nfs/dbraw/zinc/13/16/71/176131671.db2.gz BKOJQZZHIKPAEQ-PWSUYJOCSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000528001246 323735847 /nfs/dbraw/zinc/73/58/47/323735847.db2.gz INYMFRQMEUAFSK-HJHSNUOESA-N 0 3 249.354 2.855 20 10 BFCDHN COc1cc(Cl)cc(C[NH2+]CC(C)C)c1[O-] ZINC000076274250 490318978 /nfs/dbraw/zinc/31/89/78/490318978.db2.gz AHTUWFXGGGKIFQ-UHFFFAOYSA-N 0 3 243.734 2.800 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000846169039 582651667 /nfs/dbraw/zinc/65/16/67/582651667.db2.gz FJOPMQAXHZJCLG-UWVGGRQHSA-N 0 3 241.306 2.800 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CCC(C)C)c1[O-] ZINC000894146804 583317923 /nfs/dbraw/zinc/31/79/23/583317923.db2.gz XHZOWJVFIPOFJN-UHFFFAOYSA-N 0 3 237.343 2.845 20 10 BFCDHN C/C=C\C[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000858537556 582462867 /nfs/dbraw/zinc/46/28/67/582462867.db2.gz OLOXRZOUDKIUTR-UMCURTJPSA-N 0 3 221.300 2.628 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000846169044 582651913 /nfs/dbraw/zinc/65/19/13/582651913.db2.gz FJOPMQAXHZJCLG-ZJUUUORDSA-N 0 3 241.306 2.800 20 10 BFCDHN COCC[C@@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840835096 582668694 /nfs/dbraw/zinc/66/86/94/582668694.db2.gz GQQCHLDFPPPNHA-YPMHNXCESA-N 0 3 249.354 2.642 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1=CCCC1 ZINC000877635851 583340792 /nfs/dbraw/zinc/34/07/92/583340792.db2.gz GOTAWZRIEOIUFY-UHFFFAOYSA-N 0 3 217.312 2.901 20 10 BFCDHN CCOC1CC(C[NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000877652237 583341451 /nfs/dbraw/zinc/34/14/51/583341451.db2.gz FDCWNHTWXOCHHZ-UHFFFAOYSA-N 0 3 249.354 2.605 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877700087 583344120 /nfs/dbraw/zinc/34/41/20/583344120.db2.gz CRKAZEVUWSNZHN-HAQNSBGRSA-N 0 3 237.368 2.684 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@H](C)C2CCC2)c1[O-] ZINC000894368169 583439405 /nfs/dbraw/zinc/43/94/05/583439405.db2.gz KNGZDGHQTCAGOT-NSHDSACASA-N 0 3 249.354 2.987 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CCC2(C)CC2)c1[O-] ZINC000894597585 583493303 /nfs/dbraw/zinc/49/33/03/583493303.db2.gz NQJDCLSUCMEUHP-UHFFFAOYSA-N 0 3 249.354 2.989 20 10 BFCDHN COc1cc(C)cc(CN2C[C@H](C)[C@@H]2C)c1O ZINC000894862467 583537403 /nfs/dbraw/zinc/53/74/03/583537403.db2.gz YXYGPIVCGGEFCZ-QWRGUYRKSA-N 0 3 235.327 2.549 20 10 BFCDHN CCOc1ccc([O-])c(C[NH+]2CC(C(C)C)C2)c1 ZINC000793188022 583575150 /nfs/dbraw/zinc/57/51/50/583575150.db2.gz BHPCTDPMUVOOKF-UHFFFAOYSA-N 0 3 249.354 2.879 20 10 BFCDHN C=C/C=C/CC[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000895541469 583688504 /nfs/dbraw/zinc/68/85/04/583688504.db2.gz OJQPSFYBZUBFOJ-AATRIKPKSA-N 0 3 247.338 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CF)C1 ZINC000895546250 583690039 /nfs/dbraw/zinc/69/00/39/583690039.db2.gz YUTHTPVWNBSBOQ-GFCCVEGCSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CF)C1 ZINC000895546250 583690041 /nfs/dbraw/zinc/69/00/41/583690041.db2.gz YUTHTPVWNBSBOQ-GFCCVEGCSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1[O-] ZINC000896403978 583799829 /nfs/dbraw/zinc/79/98/29/583799829.db2.gz PHLPRJDRQFBNFW-RUZUBIRVSA-N 0 3 231.339 2.835 20 10 BFCDHN C/C=C\CNC/C=C/c1ccc(N(C)C)cc1 ZINC000858290184 588942498 /nfs/dbraw/zinc/94/24/98/588942498.db2.gz CRTVIFBHAHHVBD-SCFJQAPRSA-N 0 3 230.355 2.932 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)C2CC2)c1 ZINC000897438758 583984032 /nfs/dbraw/zinc/98/40/32/583984032.db2.gz HRPTUGLYZDELQQ-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN COc1cccc(C[NH2+]CC(C)(C)C2CC2)c1[O-] ZINC000897442979 583984766 /nfs/dbraw/zinc/98/47/66/583984766.db2.gz NSZGKOCCZDDPSE-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1[O-] ZINC000897952703 584063605 /nfs/dbraw/zinc/06/36/05/584063605.db2.gz JGECSEJYSAMJEO-CYZMBNFOSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1[O-] ZINC000897955339 584065171 /nfs/dbraw/zinc/06/51/71/584065171.db2.gz SLAYDKJVISNEQZ-KWCYVHTRSA-N 0 3 231.339 2.979 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897955512 584065195 /nfs/dbraw/zinc/06/51/95/584065195.db2.gz VOVRAELLZUQPHM-ZLKJLUDKSA-N 0 3 247.338 2.679 20 10 BFCDHN CSCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000898305692 584109110 /nfs/dbraw/zinc/10/91/10/584109110.db2.gz OMEYUWGMVZITIJ-UHFFFAOYSA-N 0 3 225.357 2.623 20 10 BFCDHN Cl/C=C/CNCc1ccc2c(c1)CCCO2 ZINC000898427642 584132781 /nfs/dbraw/zinc/13/27/81/584132781.db2.gz KFWBXCJHKRQLSU-QHHAFSJGSA-N 0 3 237.730 2.854 20 10 BFCDHN Cc1ccc(C[NH2+]C/C=C/Cl)c([O-])c1 ZINC000898429088 584133823 /nfs/dbraw/zinc/13/38/23/584133823.db2.gz RCIMJFDKRSLWJR-GORDUTHDSA-N 0 3 211.692 2.543 20 10 BFCDHN CCOc1ccc(O)c(CNC/C=C\Cl)c1 ZINC000898435650 584135619 /nfs/dbraw/zinc/13/56/19/584135619.db2.gz KZWOJHKKBPMEMY-UTCJRWHESA-N 0 3 241.718 2.633 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccc(C)cc1[O-] ZINC000858584062 588969201 /nfs/dbraw/zinc/96/92/01/588969201.db2.gz KROMHGZQYJBKGH-OBJOEFQTSA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccc(C)cc1[O-] ZINC000858584063 588969280 /nfs/dbraw/zinc/96/92/80/588969280.db2.gz KROMHGZQYJBKGH-YRGRVCCFSA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(C)cc1[O-] ZINC000903393305 584756580 /nfs/dbraw/zinc/75/65/80/584756580.db2.gz KHZYUHHJJJJZQQ-XBFCOCLRSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)c([O-])c1 ZINC000877025422 584888897 /nfs/dbraw/zinc/88/88/97/584888897.db2.gz KFVDYQMNFWTQOS-DGCLKSJQSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)C2CCC2)c([O-])c1 ZINC000877124349 584890826 /nfs/dbraw/zinc/89/08/26/584890826.db2.gz VQRCESAXYRGXRG-NSHDSACASA-N 0 3 219.328 2.979 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000839191319 585097502 /nfs/dbraw/zinc/09/75/02/585097502.db2.gz HJQLPZXOKNTDSQ-HIFRSBDPSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1ccc(O)c(CNCc2cccc(F)n2)c1 ZINC000747938126 585186224 /nfs/dbraw/zinc/18/62/24/585186224.db2.gz LKMORQOVAFMKKE-UHFFFAOYSA-N 0 3 246.285 2.525 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2(O)CCC2)c([O-])c1C ZINC000756564281 585321164 /nfs/dbraw/zinc/32/11/64/585321164.db2.gz RWHIKHQCCQLZQP-LBPRGKRZSA-N 0 3 249.354 2.575 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC2)c([O-])c1C ZINC000756564277 585321304 /nfs/dbraw/zinc/32/13/04/585321304.db2.gz RWHIKHQCCQLZQP-GFCCVEGCSA-N 0 3 249.354 2.575 20 10 BFCDHN CCOc1ccc(C[NH2+]C2(C3CC3)CC2)c([O-])c1 ZINC000760710381 585395867 /nfs/dbraw/zinc/39/58/67/585395867.db2.gz GWYODUTZNITHJZ-UHFFFAOYSA-N 0 3 247.338 2.823 20 10 BFCDHN CCOc1ccc(C[N@H+](CC)C2CC2)c([O-])c1 ZINC000768300446 585535595 /nfs/dbraw/zinc/53/55/95/585535595.db2.gz CCDRSIBTCVJSOP-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@@H+](CC)C2CC2)c([O-])c1 ZINC000768300446 585535596 /nfs/dbraw/zinc/53/55/96/585535596.db2.gz CCDRSIBTCVJSOP-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c([O-])cc1C ZINC000768445800 585538721 /nfs/dbraw/zinc/53/87/21/585538721.db2.gz JNVGSEYUNPQQOI-CMPLNLGQSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c([O-])cc1C ZINC000768445800 585538722 /nfs/dbraw/zinc/53/87/22/585538722.db2.gz JNVGSEYUNPQQOI-CMPLNLGQSA-N 0 3 249.354 2.940 20 10 BFCDHN CCOc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000769448457 585556595 /nfs/dbraw/zinc/55/65/95/585556595.db2.gz RKXWUMRLTNIIFT-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC=C(C)CC1 ZINC000769446951 585556905 /nfs/dbraw/zinc/55/69/05/585556905.db2.gz QSBBNISGSSAKAI-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC=C(C)CC1 ZINC000769446951 585556906 /nfs/dbraw/zinc/55/69/06/585556906.db2.gz QSBBNISGSSAKAI-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000770283852 585572635 /nfs/dbraw/zinc/57/26/35/585572635.db2.gz NRSNMEMVDPSDIK-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000770283852 585572636 /nfs/dbraw/zinc/57/26/36/585572636.db2.gz NRSNMEMVDPSDIK-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN C[C@H]1C[NH+](Cc2ccccc2[O-])C[C@H](C)S1 ZINC000770510883 585574979 /nfs/dbraw/zinc/57/49/79/585574979.db2.gz UHFBMOLGXXEBLF-QWRGUYRKSA-N 0 3 237.368 2.718 20 10 BFCDHN Cc1cccc(CN(C)Cc2cccn2C)c1O ZINC000775714146 585683362 /nfs/dbraw/zinc/68/33/62/585683362.db2.gz RIBZHPDPWKYGDP-UHFFFAOYSA-N 0 3 244.338 2.671 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CC1CC(C)(C)C1 ZINC000780590517 585782023 /nfs/dbraw/zinc/78/20/23/585782023.db2.gz LUJHUDIKPJJITH-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783525373 585836072 /nfs/dbraw/zinc/83/60/72/585836072.db2.gz ILROXVHZJSGEET-TYNCELHUSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000783736826 585841633 /nfs/dbraw/zinc/84/16/33/585841633.db2.gz FSOUPNWRFFTMJU-YNEHKIRRSA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000783736823 585841696 /nfs/dbraw/zinc/84/16/96/585841696.db2.gz FSOUPNWRFFTMJU-XQQFMLRXSA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCOC2)cc1C ZINC000784665047 585865195 /nfs/dbraw/zinc/86/51/95/585865195.db2.gz SAQZZXGLVCVRKE-CYBMUJFWSA-N 0 3 249.354 2.525 20 10 BFCDHN CN(C)c1ccc(CN(C)CC2(F)CC2)cc1 ZINC000792761338 586004631 /nfs/dbraw/zinc/00/46/31/586004631.db2.gz LHAMZQMPVRZRTF-UHFFFAOYSA-N 0 3 236.334 2.687 20 10 BFCDHN CN1CCCc2cc(CNCC3(F)CC3)ccc21 ZINC000792943601 586007287 /nfs/dbraw/zinc/00/72/87/586007287.db2.gz VDFJYEUXQOVITM-UHFFFAOYSA-N 0 3 248.345 2.661 20 10 BFCDHN CC[C@H]([NH2+]CC[C@H](C)O)c1ccc(C)cc1[O-] ZINC000794811271 586049381 /nfs/dbraw/zinc/04/93/81/586049381.db2.gz WLOFUUWCXAUCSE-AAEUAGOBSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000797905176 586133737 /nfs/dbraw/zinc/13/37/37/586133737.db2.gz IKRBSZIPLMNFDC-UONOGXRCSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000797905175 586133809 /nfs/dbraw/zinc/13/38/09/586133809.db2.gz IKRBSZIPLMNFDC-KGLIPLIRSA-N 0 3 231.339 2.979 20 10 BFCDHN CC(C)OC[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000800230693 586205801 /nfs/dbraw/zinc/20/58/01/586205801.db2.gz DXNJYNJSCJHONY-GFCCVEGCSA-N 0 3 249.354 2.525 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000800481510 586222180 /nfs/dbraw/zinc/22/21/80/586222180.db2.gz UQEIDLDOLNMMCR-CQSZACIVSA-N 0 3 247.338 2.823 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2CC(C3CC3)C2)c1 ZINC000812775068 586584103 /nfs/dbraw/zinc/58/41/03/586584103.db2.gz DXMRRJJLUJQUOU-UHFFFAOYSA-N 0 3 217.312 2.542 20 10 BFCDHN COC1(CC[N@H+](C)Cc2ccccc2[O-])CCC1 ZINC000815069850 586665174 /nfs/dbraw/zinc/66/51/74/586665174.db2.gz HKVAZKLKAQCBLS-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN COC1(CC[N@@H+](C)Cc2ccccc2[O-])CCC1 ZINC000815069850 586665175 /nfs/dbraw/zinc/66/51/75/586665175.db2.gz HKVAZKLKAQCBLS-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1cc(CN2C[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815162795 586671221 /nfs/dbraw/zinc/67/12/21/586671221.db2.gz JHZRLCJZOFWLFH-QWHCGFSZSA-N 0 3 232.371 2.901 20 10 BFCDHN Cc1cc(CN2C[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815162796 586671626 /nfs/dbraw/zinc/67/16/26/586671626.db2.gz JHZRLCJZOFWLFH-STQMWFEESA-N 0 3 232.371 2.901 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H]2C)cc1C ZINC000816647584 586750701 /nfs/dbraw/zinc/75/07/01/586750701.db2.gz VGXBTDRJADXIDR-NWDGAFQWSA-N 0 3 219.328 2.849 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H]2C)cc1C ZINC000816647584 586750704 /nfs/dbraw/zinc/75/07/04/586750704.db2.gz VGXBTDRJADXIDR-NWDGAFQWSA-N 0 3 219.328 2.849 20 10 BFCDHN CC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2[O-])CCO1 ZINC000817415753 586802656 /nfs/dbraw/zinc/80/26/56/586802656.db2.gz YANFGQRULZIJKV-KBPBESRZSA-N 0 3 249.354 2.748 20 10 BFCDHN C[C@H](NCCc1ccc(N)cc1)c1ccccn1 ZINC000817956095 586849922 /nfs/dbraw/zinc/84/99/22/586849922.db2.gz QOQDTACRYQFRGZ-LBPRGKRZSA-N 0 3 241.338 2.557 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000818223317 586880158 /nfs/dbraw/zinc/88/01/58/586880158.db2.gz VQZIWIXVKPQFIV-KBPBESRZSA-N 0 3 231.339 2.918 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000822498414 587171629 /nfs/dbraw/zinc/17/16/29/587171629.db2.gz YXOXJVJWEQUNOO-UONOGXRCSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1[O-] ZINC000822497370 587172039 /nfs/dbraw/zinc/17/20/39/587172039.db2.gz ALNSPGHIPKWEIT-UONOGXRCSA-N 0 3 231.339 2.979 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CC1=CCCCC1 ZINC000824538383 587275012 /nfs/dbraw/zinc/27/50/12/587275012.db2.gz PBCRWSHGMPARRH-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN CCOc1ccc(C[NH2+]C2(CC)CC2)c([O-])c1 ZINC000824620136 587279693 /nfs/dbraw/zinc/27/96/93/587279693.db2.gz CYISKPMROJBNKX-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000824650132 587280591 /nfs/dbraw/zinc/28/05/91/587280591.db2.gz JJNHURXPBZXOKH-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000824650132 587280592 /nfs/dbraw/zinc/28/05/92/587280592.db2.gz JJNHURXPBZXOKH-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000824650137 587281128 /nfs/dbraw/zinc/28/11/28/587281128.db2.gz JLKYYVSJCCWVPH-AWEZNQCLSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000824650137 587281129 /nfs/dbraw/zinc/28/11/29/587281129.db2.gz JLKYYVSJCCWVPH-AWEZNQCLSA-N 0 3 247.338 2.775 20 10 BFCDHN CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000824977004 587296330 /nfs/dbraw/zinc/29/63/30/587296330.db2.gz HKXDEFAHCYZRDR-GWCFXTLKSA-N 0 3 237.318 2.913 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000825245083 587311033 /nfs/dbraw/zinc/31/10/33/587311033.db2.gz DULNCOWDOBBBEF-RYUDHWBXSA-N 0 3 247.338 2.537 20 10 BFCDHN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000825284658 587312699 /nfs/dbraw/zinc/31/26/99/587312699.db2.gz WUHWXOATPPBHOM-ZIAGYGMSSA-N 0 3 249.354 2.748 20 10 BFCDHN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000825299184 587313118 /nfs/dbraw/zinc/31/31/18/587313118.db2.gz FDGLVOMHJJLDJV-UKRRQHHQSA-N 0 3 249.354 2.830 20 10 BFCDHN COC[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000825321326 587314626 /nfs/dbraw/zinc/31/46/26/587314626.db2.gz CDGUUJZUQSJTGB-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN COC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000825321326 587314627 /nfs/dbraw/zinc/31/46/27/587314627.db2.gz CDGUUJZUQSJTGB-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539435 587354450 /nfs/dbraw/zinc/35/44/50/587354450.db2.gz TXFMBLHUAGGQBQ-AAEUAGOBSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539435 587354451 /nfs/dbraw/zinc/35/44/51/587354451.db2.gz TXFMBLHUAGGQBQ-AAEUAGOBSA-N 0 3 217.312 2.767 20 10 BFCDHN COCC1([NH2+]Cc2cccc(C)c2[O-])CCCC1 ZINC000826834147 587363805 /nfs/dbraw/zinc/36/38/05/587363805.db2.gz MOFTYVWSGRLABN-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000827506724 587384492 /nfs/dbraw/zinc/38/44/92/587384492.db2.gz KVNBCSLYQPAUGW-AAEUAGOBSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000827506724 587384494 /nfs/dbraw/zinc/38/44/94/587384494.db2.gz KVNBCSLYQPAUGW-AAEUAGOBSA-N 0 3 247.338 2.633 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)CC2=CCSC2)c1 ZINC000827805899 587403533 /nfs/dbraw/zinc/40/35/33/587403533.db2.gz NIUINMFKVBCPBO-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)CC2=CCSC2)c1 ZINC000827805899 587403534 /nfs/dbraw/zinc/40/35/34/587403534.db2.gz NIUINMFKVBCPBO-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)C[C@H]2CC2(C)C)c1 ZINC000827942847 587411991 /nfs/dbraw/zinc/41/19/91/587411991.db2.gz SRSCQNXFAPCAME-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H]2CC2(C)C)c1 ZINC000827942847 587411993 /nfs/dbraw/zinc/41/19/93/587411993.db2.gz SRSCQNXFAPCAME-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H]2CC2(C)C)c1 ZINC000827942849 587412049 /nfs/dbraw/zinc/41/20/49/587412049.db2.gz SRSCQNXFAPCAME-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC000827942849 587412051 /nfs/dbraw/zinc/41/20/51/587412051.db2.gz SRSCQNXFAPCAME-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN C[C@@H](CF)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835056343 587779655 /nfs/dbraw/zinc/77/96/55/587779655.db2.gz TZUQKHHWHMNSML-RXNFCKPNSA-N 0 3 236.334 2.713 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1C ZINC000841760875 587974459 /nfs/dbraw/zinc/97/44/59/587974459.db2.gz ZATZOYUVSVFBRH-SLEUVZQESA-N 0 3 249.354 2.573 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C)cc1[O-] ZINC000841757901 587974571 /nfs/dbraw/zinc/97/45/71/587974571.db2.gz CCQYJSFXRAVVIC-CORIIIEPSA-N 0 3 249.354 2.655 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000841891291 587982021 /nfs/dbraw/zinc/98/20/21/587982021.db2.gz XRYJCKRLWZMUTK-SDDRHHMPSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000841891291 587982022 /nfs/dbraw/zinc/98/20/22/587982022.db2.gz XRYJCKRLWZMUTK-SDDRHHMPSA-N 0 3 249.354 2.877 20 10 BFCDHN Cc1cc(O)c(CN2CCC[C@H](F)C2)cc1C ZINC000846119937 588258219 /nfs/dbraw/zinc/25/82/19/588258219.db2.gz KNTHHGODQUOSGJ-ZDUSSCGKSA-N 0 3 237.318 2.943 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]CCCCF)c1[O-] ZINC000846171719 588259324 /nfs/dbraw/zinc/25/93/24/588259324.db2.gz VVVMPOJWFKIVCL-SNVBAGLBSA-N 0 3 241.306 2.801 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCCO1 ZINC000848574370 588399120 /nfs/dbraw/zinc/39/91/20/588399120.db2.gz DEMRPCZCULEWPI-HIFRSBDPSA-N 0 3 249.354 2.830 20 10 BFCDHN C[C@@]1(CC[NH2+]Cc2ccccc2[O-])CC1(F)F ZINC000850380124 588542586 /nfs/dbraw/zinc/54/25/86/588542586.db2.gz BYBSDFKXDZHMDF-GFCCVEGCSA-N 0 3 241.281 2.917 20 10 BFCDHN C[C@@H](CSCCF)[NH2+]Cc1ccccc1[O-] ZINC000850430036 588546208 /nfs/dbraw/zinc/54/62/08/588546208.db2.gz LMVUFJQHFDWCNZ-JTQLQIEISA-N 0 3 243.347 2.573 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000850513367 588555863 /nfs/dbraw/zinc/55/58/63/588555863.db2.gz GTMSGGOYZGULPL-IJLUTSLNSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862443529 589213824 /nfs/dbraw/zinc/21/38/24/589213824.db2.gz QNQLKIOUBJRHOI-AOOOYVTPSA-N 0 3 237.730 2.806 20 10 BFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862443529 589213825 /nfs/dbraw/zinc/21/38/25/589213825.db2.gz QNQLKIOUBJRHOI-AOOOYVTPSA-N 0 3 237.730 2.806 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(CC)c1[O-] ZINC000862486536 589217340 /nfs/dbraw/zinc/21/73/40/589217340.db2.gz GJNBYLFKMMBUEZ-HIFRSBDPSA-N 0 3 249.354 2.612 20 10 BFCDHN CCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019907048 590042600 /nfs/dbraw/zinc/04/26/00/590042600.db2.gz BCGJLGGKTAMRPC-JTQLQIEISA-N 0 3 223.316 2.852 20 10 BFCDHN COc1cccc(C[NH2+][C@H](C)C(C)C)c1[O-] ZINC000020523212 590118763 /nfs/dbraw/zinc/11/87/63/590118763.db2.gz QTFDHLWJWFFXJN-SNVBAGLBSA-N 0 3 223.316 2.535 20 10 BFCDHN CCO[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512819 590206200 /nfs/dbraw/zinc/20/62/00/590206200.db2.gz ZAWXKMAVNCDLKI-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CCO[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512819 590206201 /nfs/dbraw/zinc/20/62/01/590206201.db2.gz ZAWXKMAVNCDLKI-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C1CC1 ZINC000876575388 590217727 /nfs/dbraw/zinc/21/77/27/590217727.db2.gz COYKOAIZUWFTDP-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C1CC1 ZINC000876575388 590217729 /nfs/dbraw/zinc/21/77/29/590217729.db2.gz COYKOAIZUWFTDP-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c([O-])c1 ZINC000876634429 590224205 /nfs/dbraw/zinc/22/42/05/590224205.db2.gz REVBAGAIIMNJTD-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)c([O-])c1 ZINC000876634429 590224206 /nfs/dbraw/zinc/22/42/06/590224206.db2.gz REVBAGAIIMNJTD-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000876637292 590225311 /nfs/dbraw/zinc/22/53/11/590225311.db2.gz URCUUNCYZPBNNR-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000876637292 590225312 /nfs/dbraw/zinc/22/53/12/590225312.db2.gz URCUUNCYZPBNNR-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C ZINC000876723903 590233167 /nfs/dbraw/zinc/23/31/67/590233167.db2.gz ZQTFNPNOKQOKHR-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C ZINC000876723903 590233169 /nfs/dbraw/zinc/23/31/69/590233169.db2.gz ZQTFNPNOKQOKHR-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCC1 ZINC000876744336 590236556 /nfs/dbraw/zinc/23/65/56/590236556.db2.gz BVMIDOOXVWYJBK-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCC1 ZINC000876744336 590236557 /nfs/dbraw/zinc/23/65/57/590236557.db2.gz BVMIDOOXVWYJBK-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000876760755 590239003 /nfs/dbraw/zinc/23/90/03/590239003.db2.gz XFUDUWNYXYTOFS-CMPLNLGQSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000876760755 590239005 /nfs/dbraw/zinc/23/90/05/590239005.db2.gz XFUDUWNYXYTOFS-CMPLNLGQSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000876760758 590239211 /nfs/dbraw/zinc/23/92/11/590239211.db2.gz XFUDUWNYXYTOFS-ZYHUDNBSSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000876760758 590239212 /nfs/dbraw/zinc/23/92/12/590239212.db2.gz XFUDUWNYXYTOFS-ZYHUDNBSSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000876799184 590242490 /nfs/dbraw/zinc/24/24/90/590242490.db2.gz AOSHBVUUBWXDFZ-VXGBXAGGSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000876799184 590242493 /nfs/dbraw/zinc/24/24/93/590242493.db2.gz AOSHBVUUBWXDFZ-VXGBXAGGSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)c([O-])c1 ZINC000876799182 590242877 /nfs/dbraw/zinc/24/28/77/590242877.db2.gz AOSHBVUUBWXDFZ-NWDGAFQWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)c([O-])c1 ZINC000876799182 590242879 /nfs/dbraw/zinc/24/28/79/590242879.db2.gz AOSHBVUUBWXDFZ-NWDGAFQWSA-N 0 3 219.328 2.931 20 10 BFCDHN COC(C)(C)C[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876808978 590244866 /nfs/dbraw/zinc/24/48/66/590244866.db2.gz OEKYBZHWRBPSJT-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COC(C)(C)C[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876808978 590244867 /nfs/dbraw/zinc/24/48/67/590244867.db2.gz OEKYBZHWRBPSJT-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)CCC1CC1 ZINC000876812223 590245300 /nfs/dbraw/zinc/24/53/00/590245300.db2.gz SGCNQOZQLKCOGZ-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)CCC1CC1 ZINC000876812223 590245301 /nfs/dbraw/zinc/24/53/01/590245301.db2.gz SGCNQOZQLKCOGZ-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@H+](C)CCC2CC2)c([O-])c1 ZINC000876810503 590245563 /nfs/dbraw/zinc/24/55/63/590245563.db2.gz AHJDSGSUFXZGBY-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@@H+](C)CCC2CC2)c([O-])c1 ZINC000876810503 590245565 /nfs/dbraw/zinc/24/55/65/590245565.db2.gz AHJDSGSUFXZGBY-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])o1 ZINC000876929431 590258368 /nfs/dbraw/zinc/25/83/68/590258368.db2.gz WUGDUWIQJKRMRU-UHFFFAOYSA-N 0 3 245.322 2.934 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H](C)C2CC2)c([O-])c1 ZINC000876967041 590262485 /nfs/dbraw/zinc/26/24/85/590262485.db2.gz AYDAPYMMJJVAGF-LLVKDONJSA-N 0 3 219.328 2.836 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)C2(C)CC2)c([O-])c1 ZINC000876976514 590263329 /nfs/dbraw/zinc/26/33/29/590263329.db2.gz MGPDKXXKDZWPLF-NSHDSACASA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+]CCOC2CCCC2)c([O-])c1 ZINC000876984744 590264602 /nfs/dbraw/zinc/26/46/02/590264602.db2.gz NGEZTHPGMLSRIC-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876996267 590266625 /nfs/dbraw/zinc/26/66/25/590266625.db2.gz QFRPMFPONMRWPP-SECBINFHSA-N 0 3 246.137 2.676 20 10 BFCDHN CS[C@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877112676 590287417 /nfs/dbraw/zinc/28/74/17/590287417.db2.gz SRIFWKDOTPVAAL-SNVBAGLBSA-N 0 3 225.357 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000877119583 590289063 /nfs/dbraw/zinc/28/90/63/590289063.db2.gz IDUSEJBKDRDBGU-GFCCVEGCSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000877135141 590291149 /nfs/dbraw/zinc/29/11/49/590291149.db2.gz QROPEEMCQRMUFG-QWHCGFSZSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCCSCC2)c([O-])c1 ZINC000877170496 590295879 /nfs/dbraw/zinc/29/58/79/590295879.db2.gz PHFZKVLXSFVGTJ-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN Cc1ccc(C[N@H+]2CCCSCC2)c([O-])c1 ZINC000877170496 590295881 /nfs/dbraw/zinc/29/58/81/590295881.db2.gz PHFZKVLXSFVGTJ-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c([O-])c1 ZINC000877439809 590328148 /nfs/dbraw/zinc/32/81/48/590328148.db2.gz UYMOPVUPVYALFA-CYBMUJFWSA-N 0 3 249.354 2.748 20 10 BFCDHN CO[C@H]1C[N@H+](Cc2c(C)cccc2[O-])CC[C@@H]1C ZINC000877463153 590332157 /nfs/dbraw/zinc/33/21/57/590332157.db2.gz BZOLXPPOYNBVCG-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC[C@@H]1C ZINC000877463153 590332158 /nfs/dbraw/zinc/33/21/58/590332158.db2.gz BZOLXPPOYNBVCG-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(C[NH2+]CCC2(C)CC2)c([O-])c1 ZINC000877486062 590338516 /nfs/dbraw/zinc/33/85/16/590338516.db2.gz CXIYDEQHBINLNJ-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CCC23CCC3)c([O-])c1 ZINC000877494198 590340817 /nfs/dbraw/zinc/34/08/17/590340817.db2.gz VEQSCUDOPFSYLV-CQSZACIVSA-N 0 3 247.338 2.823 20 10 BFCDHN COCC1(C[NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877498856 590341778 /nfs/dbraw/zinc/34/17/78/590341778.db2.gz VUELKDDOSIQXDG-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC1(C)C ZINC000877521664 590346002 /nfs/dbraw/zinc/34/60/02/590346002.db2.gz GRFUVLYKSBOWMY-CYBMUJFWSA-N 0 3 219.328 2.979 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1[O-] ZINC000877526119 590348341 /nfs/dbraw/zinc/34/83/41/590348341.db2.gz PUSHAAKQMVELEE-CYBMUJFWSA-N 0 3 247.338 2.823 20 10 BFCDHN CO[C@@](C)(C[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877541971 590352273 /nfs/dbraw/zinc/35/22/73/590352273.db2.gz NIABIWGZQHBFKN-HNNXBMFYSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccoc1CNCc1ccc(C)cc1O ZINC000877547510 590354314 /nfs/dbraw/zinc/35/43/14/590354314.db2.gz ZDGPCPYKUXWYKY-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN COC1(CC[NH2+]Cc2c(C)cccc2[O-])CCC1 ZINC000877551378 590355913 /nfs/dbraw/zinc/35/59/13/590355913.db2.gz XKIXPQMHMLFODT-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN COC1(C[NH2+]Cc2ccc(C)cc2[O-])CCCC1 ZINC000877554485 590356699 /nfs/dbraw/zinc/35/66/99/590356699.db2.gz KNYSYIGUZSJEHB-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN COC[C@]1(C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877559322 590358476 /nfs/dbraw/zinc/35/84/76/590358476.db2.gz VASPHJHJRZPWSK-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@]1(C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877559322 590358479 /nfs/dbraw/zinc/35/84/79/590358479.db2.gz VASPHJHJRZPWSK-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877559321 590358708 /nfs/dbraw/zinc/35/87/08/590358708.db2.gz VASPHJHJRZPWSK-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@]1(C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877559321 590358711 /nfs/dbraw/zinc/35/87/11/590358711.db2.gz VASPHJHJRZPWSK-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000877561275 590359577 /nfs/dbraw/zinc/35/95/77/590359577.db2.gz DMCIOOKNQJTDSY-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]1C1CC1 ZINC000877561275 590359579 /nfs/dbraw/zinc/35/95/79/590359579.db2.gz DMCIOOKNQJTDSY-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000877566003 590360548 /nfs/dbraw/zinc/36/05/48/590360548.db2.gz UHBTYVDAABXZFD-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000877566003 590360550 /nfs/dbraw/zinc/36/05/50/590360550.db2.gz UHBTYVDAABXZFD-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CC[C@](C)(C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877564475 590360843 /nfs/dbraw/zinc/36/08/43/590360843.db2.gz BUAAAINZIUFKTL-CQSZACIVSA-N 0 3 237.343 2.605 20 10 BFCDHN CC/C=C/C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877563149 590361174 /nfs/dbraw/zinc/36/11/74/590361174.db2.gz GVWRQHPMEFRCQI-SNAWJCMRSA-N 0 3 205.301 2.756 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CC2(CC(F)C2)C1 ZINC000877580985 590365376 /nfs/dbraw/zinc/36/53/76/590365376.db2.gz KPVWWHLFRGJRAK-UHFFFAOYSA-N 0 3 235.302 2.635 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000877585531 590367669 /nfs/dbraw/zinc/36/76/69/590367669.db2.gz IZPGLGVHXBZIAM-KWCYVHTRSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000877590301 590368758 /nfs/dbraw/zinc/36/87/58/590368758.db2.gz YNKOISKRKDONTQ-OBJOEFQTSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)c([O-])c1 ZINC000877587663 590368938 /nfs/dbraw/zinc/36/89/38/590368938.db2.gz FUYIICINCDSTNN-ZYHUDNBSSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000877597463 590371143 /nfs/dbraw/zinc/37/11/43/590371143.db2.gz MUCUKCMDCKBTKD-GXTWGEPZSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000877634808 590379855 /nfs/dbraw/zinc/37/98/55/590379855.db2.gz WLAOIZRBZVHUNZ-IMRBUKKESA-N 0 3 217.312 2.589 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCOC1(C)C ZINC000877640556 590381629 /nfs/dbraw/zinc/38/16/29/590381629.db2.gz OWVIDUQMKCFQOO-GFCCVEGCSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@H]2CCCOC2)c([O-])c1 ZINC000877648937 590383843 /nfs/dbraw/zinc/38/38/43/590383843.db2.gz WVISGTHJSGWQNA-CYBMUJFWSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([O-])c1 ZINC000877656838 590385980 /nfs/dbraw/zinc/38/59/80/590385980.db2.gz SBOCBBMMJYQHSP-ASHKBJFXSA-N 0 3 249.354 2.602 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CCC(CCF)CC1 ZINC000877673594 590390043 /nfs/dbraw/zinc/39/00/43/590390043.db2.gz GRSTZDIHIGHLNV-UHFFFAOYSA-N 0 3 237.318 2.964 20 10 BFCDHN Cc1ccc(CNCc2ccc(C)cc2O)o1 ZINC000877697524 590393998 /nfs/dbraw/zinc/39/39/98/590393998.db2.gz JOPRGVBGXMKBRN-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN CC[C@](C)(C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702735 590396346 /nfs/dbraw/zinc/39/63/46/590396346.db2.gz FSTVJEVTRVNMGG-CQSZACIVSA-N 0 3 235.327 2.523 20 10 BFCDHN CC[C@](C)(C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702735 590396349 /nfs/dbraw/zinc/39/63/49/590396349.db2.gz FSTVJEVTRVNMGG-CQSZACIVSA-N 0 3 235.327 2.523 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CC(C)(C)CO2)c([O-])c1 ZINC000877805143 590425649 /nfs/dbraw/zinc/42/56/49/590425649.db2.gz KFIPCBZEKPOQDH-CYBMUJFWSA-N 0 3 249.354 2.605 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC(C)(C)CO1 ZINC000878241070 590528212 /nfs/dbraw/zinc/52/82/12/590528212.db2.gz ALEOFFMZXPBWHB-ZDUSSCGKSA-N 0 3 249.354 2.639 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC(C)(C)CO1 ZINC000878241070 590528214 /nfs/dbraw/zinc/52/82/14/590528214.db2.gz ALEOFFMZXPBWHB-ZDUSSCGKSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@@H](N[C@@H](C)c1ccccc1O)c1cnccn1 ZINC000879650875 590843359 /nfs/dbraw/zinc/84/33/59/590843359.db2.gz VDARQJCAKQRWMD-WDEREUQCSA-N 0 3 243.310 2.594 20 10 BFCDHN C[C@H](N[C@@H](C)c1ccccc1O)c1cnccn1 ZINC000879650874 590843542 /nfs/dbraw/zinc/84/35/42/590843542.db2.gz VDARQJCAKQRWMD-QWRGUYRKSA-N 0 3 243.310 2.594 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000131148329 591559108 /nfs/dbraw/zinc/55/91/08/591559108.db2.gz ARBFLMKKEGKVHX-CMPLNLGQSA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2C=CCC2)c1 ZINC000883238781 591583606 /nfs/dbraw/zinc/58/36/06/591583606.db2.gz LYSSRBHORLPOCY-LBPRGKRZSA-N 0 3 247.338 2.847 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000883238780 591583617 /nfs/dbraw/zinc/58/36/17/591583617.db2.gz LYSSRBHORLPOCY-GFCCVEGCSA-N 0 3 247.338 2.847 20 10 BFCDHN C=C/C=C\CC[NH2+]Cc1c([O-])cccc1OC ZINC000883260941 591599062 /nfs/dbraw/zinc/59/90/62/591599062.db2.gz LKBNCRDAGKHPPC-PLNGDYQASA-N 0 3 233.311 2.623 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000132751264 591735226 /nfs/dbraw/zinc/73/52/26/591735226.db2.gz RKAWZRQJVURBGJ-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000132751264 591735228 /nfs/dbraw/zinc/73/52/28/591735228.db2.gz RKAWZRQJVURBGJ-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN C[C@@H]([NH2+]CCCF)c1cc(F)ccc1[O-] ZINC000134936216 591961822 /nfs/dbraw/zinc/96/18/22/591961822.db2.gz VRWZQHMLJCGZFU-MRVPVSSYSA-N 0 3 215.243 2.542 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000135749742 592044738 /nfs/dbraw/zinc/04/47/38/592044738.db2.gz BIAKNUNLXJEFIF-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C(C)C)C2)c1 ZINC000135749742 592044741 /nfs/dbraw/zinc/04/47/41/592044741.db2.gz BIAKNUNLXJEFIF-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000220928203 592379847 /nfs/dbraw/zinc/37/98/47/592379847.db2.gz YFUPFAIZUVKRBF-BXKDBHETSA-N 0 3 223.291 2.810 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1CCCCC1 ZINC000139747203 592431606 /nfs/dbraw/zinc/43/16/06/592431606.db2.gz IVYTVFCTERAZHM-UHFFFAOYSA-N 0 3 209.264 2.517 20 10 BFCDHN CC(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610616 635437013 /nfs/dbraw/zinc/43/70/13/635437013.db2.gz AOLJXJUFNCUNMP-JTQLQIEISA-N 0 3 225.307 2.913 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1ccccc1[O-] ZINC000228068981 635456297 /nfs/dbraw/zinc/45/62/97/635456297.db2.gz QHXVTPPJUSWDKV-WZRBSPASSA-N 0 3 237.343 2.592 20 10 BFCDHN CCC(C)(C)OCC[NH2+]Cc1ccccc1[O-] ZINC000308551126 631421218 /nfs/dbraw/zinc/42/12/18/631421218.db2.gz WZQFGNDAIVLFPE-UHFFFAOYSA-N 0 3 237.343 2.687 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1C ZINC000308929166 631746407 /nfs/dbraw/zinc/74/64/07/631746407.db2.gz QTMCHMCVFVMCDH-CKYFFXLPSA-N 0 3 205.301 2.526 20 10 BFCDHN CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000309311528 632924329 /nfs/dbraw/zinc/92/43/29/632924329.db2.gz CBEJTXKULZVUKU-QWHCGFSZSA-N 0 3 219.328 2.916 20 10 BFCDHN CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000229574562 632978942 /nfs/dbraw/zinc/97/89/42/632978942.db2.gz SIUGVDLFHRZYID-OCCSQVGLSA-N 0 3 249.354 2.860 20 10 BFCDHN COC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000311051457 633060807 /nfs/dbraw/zinc/06/08/07/633060807.db2.gz IKLGWTHZJWRRCP-GFCCVEGCSA-N 0 3 247.338 2.538 20 10 BFCDHN C[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCO1 ZINC000311092418 633066632 /nfs/dbraw/zinc/06/66/32/633066632.db2.gz RCSCXKPOQWEDQH-DOMZBBRYSA-N 0 3 247.338 2.538 20 10 BFCDHN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186492719 634077165 /nfs/dbraw/zinc/07/71/65/634077165.db2.gz HMWMWTZIUMYRQG-IJWDBEHRSA-N 0 3 249.354 2.678 20 10 BFCDHN C[C@@H]([NH2+]CCCOC(F)F)c1ccccc1[O-] ZINC000194026771 636536425 /nfs/dbraw/zinc/53/64/25/636536425.db2.gz CWMWASXEMJQTBJ-SECBINFHSA-N 0 3 245.269 2.672 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040672177 636936336 /nfs/dbraw/zinc/93/63/36/636936336.db2.gz SSLXAEKQZHTVJG-JSGCOSHPSA-N 0 3 248.370 2.527 20 10 BFCDHN CCOc1ccc(C[NH2+]C/C=C\Cl)c([O-])c1 ZINC000898436908 637042595 /nfs/dbraw/zinc/04/25/95/637042595.db2.gz WUBBEWFCSRFDKV-UTCJRWHESA-N 0 3 241.718 2.633 20 10 BFCDHN COC/C(C)=C/C[NH2+][C@H](C)c1ccccc1[O-] ZINC000931554035 640272034 /nfs/dbraw/zinc/27/20/34/640272034.db2.gz KHRWXMUILVBKDO-JATZPVMKSA-N 0 3 235.327 2.636 20 10 BFCDHN C[C@H]([NH2+]Cc1ccoc1)c1ccccc1[O-] ZINC000163971465 640432666 /nfs/dbraw/zinc/43/26/66/640432666.db2.gz UNNHFKKGIQYMMJ-JTQLQIEISA-N 0 3 217.268 2.836 20 10 BFCDHN C[C@H]([NH2+]Cc1cncs1)c1ccccc1[O-] ZINC000164651862 640495571 /nfs/dbraw/zinc/49/55/71/640495571.db2.gz SWMXKLIXLZRSTR-VIFPVBQESA-N 0 3 234.324 2.700 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1[O-] ZINC000157611164 640696313 /nfs/dbraw/zinc/69/63/13/640696313.db2.gz FOZBGNCVAOUENY-AVGNSLFASA-N 0 3 248.370 2.526 20 10 BFCDHN CC1(C)C[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000226257621 640744434 /nfs/dbraw/zinc/74/44/34/640744434.db2.gz JZCCKKBNYTYPCC-LLVKDONJSA-N 0 3 205.301 2.528 20 10 BFCDHN CSCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610630 640778240 /nfs/dbraw/zinc/77/82/40/640778240.db2.gz PTZGUMXCIMRIRW-UHFFFAOYSA-N 0 3 243.347 2.764 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000226585167 640778560 /nfs/dbraw/zinc/77/85/60/640778560.db2.gz HKZHFSSIYLVCJL-UHFFFAOYSA-N 0 3 246.285 2.525 20 10 BFCDHN COC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168824350 640828589 /nfs/dbraw/zinc/82/85/89/640828589.db2.gz AEHRRNLPGDMBLP-NSHDSACASA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1cnccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000229661312 640971546 /nfs/dbraw/zinc/97/15/46/640971546.db2.gz BPZWOYOYUCTTON-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CCCCC1 ZINC000075606526 641764344 /nfs/dbraw/zinc/76/43/44/641764344.db2.gz NXBDKZVUDUHCIC-UHFFFAOYSA-N 0 3 205.301 2.687 20 10 BFCDHN CO[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000188817158 641770085 /nfs/dbraw/zinc/77/00/85/641770085.db2.gz VVAXZCYMZFPTGR-WOPDTQHZSA-N 0 3 235.327 2.610 20 10 BFCDHN CC1CCN(CCSc2nccs2)CC1 ZINC000154242906 641989369 /nfs/dbraw/zinc/98/93/69/641989369.db2.gz YDKNHQVCUNEGIH-UHFFFAOYSA-N 0 3 242.413 2.967 20 10 BFCDHN C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccccc1[O-] ZINC000179586047 642727853 /nfs/dbraw/zinc/72/78/53/642727853.db2.gz WNTPEQAHUBQCGC-GHMZBOCLSA-N 0 3 205.301 2.765 20 10 BFCDHN CC[C@H]([NH2+]CCSC)c1ccccc1[O-] ZINC000068994789 642818183 /nfs/dbraw/zinc/81/81/83/642818183.db2.gz JWJFPJVLQIDUFM-NSHDSACASA-N 0 3 225.357 2.796 20 10 BFCDHN C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1[O-] ZINC000183480585 643132993 /nfs/dbraw/zinc/13/29/93/643132993.db2.gz SIPDKLWTCPJXFA-LLVKDONJSA-N 0 3 243.306 2.949 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000085962900 643866245 /nfs/dbraw/zinc/86/62/45/643866245.db2.gz NCMICUXDAWCOCH-BZPMIXESSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCC2)c([O-])c1 ZINC000186547466 644036778 /nfs/dbraw/zinc/03/67/78/644036778.db2.gz NMGUXPMWTNHLSW-GFCCVEGCSA-N 0 3 249.354 2.514 20 10 BFCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCS1 ZINC000922843668 644117961 /nfs/dbraw/zinc/11/79/61/644117961.db2.gz SNNIPEVHNLYRIU-CMPLNLGQSA-N 0 3 237.368 2.766 20 10 BFCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCS1 ZINC000922843670 644118289 /nfs/dbraw/zinc/11/82/89/644118289.db2.gz SNNIPEVHNLYRIU-JQWIXIFHSA-N 0 3 237.368 2.766 20 10 BFCDHN CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000087012711 644455727 /nfs/dbraw/zinc/45/57/27/644455727.db2.gz XQXQRFWYWVUNFG-RISCZKNCSA-N 0 3 237.343 2.512 20 10 BFCDHN CCOC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617982 644721060 /nfs/dbraw/zinc/72/10/60/644721060.db2.gz GKXUHFBLGNTCKE-UWVGGRQHSA-N 0 3 241.306 2.607 20 10 BFCDHN Cc1cc(O)c(CN2C[C@@H](C)OC[C@H]2C)cc1C ZINC000251072041 644790817 /nfs/dbraw/zinc/79/08/17/644790817.db2.gz MLISERKPYUDFGN-CHWSQXEVSA-N 0 3 249.354 2.618 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccccc1[O-] ZINC000252766397 644903217 /nfs/dbraw/zinc/90/32/17/644903217.db2.gz QHXVTPPJUSWDKV-GVXVVHGQSA-N 0 3 237.343 2.592 20 10 BFCDHN CCC[C@@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000927021199 645520139 /nfs/dbraw/zinc/52/01/39/645520139.db2.gz MIEVZDFVTVUKHJ-CHWSQXEVSA-N 0 3 249.354 2.520 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C)cc1[O-] ZINC000927149287 645573221 /nfs/dbraw/zinc/57/32/21/645573221.db2.gz XZJMEWCVSNXQGE-YRGRVCCFSA-N 0 3 249.354 2.512 20 10 BFCDHN CCCCOCC[N@H+](C)Cc1ccccc1[O-] ZINC000120767014 645724707 /nfs/dbraw/zinc/72/47/07/645724707.db2.gz HXHDPSOJCOKCDL-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN CCCCOCC[N@@H+](C)Cc1ccccc1[O-] ZINC000120767014 645724716 /nfs/dbraw/zinc/72/47/16/645724716.db2.gz HXHDPSOJCOKCDL-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCS[C@@H]1C ZINC000877608687 645803015 /nfs/dbraw/zinc/80/30/15/645803015.db2.gz UVHZHPQLRBIZOC-PWSUYJOCSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[NH2+]CC2CC=CC2)c([O-])c1 ZINC000877650267 645805979 /nfs/dbraw/zinc/80/59/79/645805979.db2.gz HVWVDCWBVBHXNQ-UHFFFAOYSA-N 0 3 217.312 2.756 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccccc1[O-] ZINC000393810133 711679015 /nfs/dbraw/zinc/67/90/15/711679015.db2.gz SCRQHDPOMOMOML-NHCYSSNCSA-N 0 3 237.368 2.937 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@H](C)O ZINC000386879457 711821104 /nfs/dbraw/zinc/82/11/04/711821104.db2.gz LXPZKLAARLNRIS-GVXVVHGQSA-N 0 3 237.343 2.511 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@@H](C)O ZINC000386879458 711821106 /nfs/dbraw/zinc/82/11/06/711821106.db2.gz LXPZKLAARLNRIS-LOWVWBTDSA-N 0 3 237.343 2.511 20 10 BFCDHN Cc1cccc(CN2CCC[C@H](F)C2)c1O ZINC000701674095 712027230 /nfs/dbraw/zinc/02/72/30/712027230.db2.gz OOVXANFXZISIJE-LBPRGKRZSA-N 0 3 223.291 2.635 20 10 BFCDHN CC1(C)SC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000390633821 712422854 /nfs/dbraw/zinc/42/28/54/712422854.db2.gz LLWFUMLBZBNHFL-LLVKDONJSA-N 0 3 241.331 2.515 20 10 BFCDHN CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000716815092 712576405 /nfs/dbraw/zinc/57/64/05/712576405.db2.gz PKNGPEHZQQHKQW-SDDRHHMPSA-N 0 3 237.343 2.592 20 10 BFCDHN CC(C)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000159196444 712722885 /nfs/dbraw/zinc/72/28/85/712722885.db2.gz AOEMGMIRPRVDKX-GFCCVEGCSA-N 0 3 219.328 2.870 20 10 BFCDHN CC(C)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000159196444 712722888 /nfs/dbraw/zinc/72/28/88/712722888.db2.gz AOEMGMIRPRVDKX-GFCCVEGCSA-N 0 3 219.328 2.870 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000381635270 710664404 /nfs/dbraw/zinc/66/44/04/710664404.db2.gz OCDGDSRSVASLQN-JTQLQIEISA-N 0 3 227.254 2.670 20 10 BFCDHN C[C@H]1C[C@@H]([NH2+]CCF)c2c1c(F)ccc2[O-] ZINC000393785057 710692554 /nfs/dbraw/zinc/69/25/54/710692554.db2.gz WZFTUVWTGRLVCS-IONNQARKSA-N 0 3 227.254 2.639 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000384585774 710920508 /nfs/dbraw/zinc/92/05/08/710920508.db2.gz LLXOGXDFCWNGNM-UVLXDEKHSA-N 0 3 249.354 2.999 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000384585775 710921680 /nfs/dbraw/zinc/92/16/80/710921680.db2.gz LLXOGXDFCWNGNM-UZGDPCLZSA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@@H](C)O1 ZINC000384672640 710994316 /nfs/dbraw/zinc/99/43/16/710994316.db2.gz YHAQSMQLAXCEAF-AAXDQBDMSA-N 0 3 247.338 2.535 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@@H](C)O ZINC000386891603 711038005 /nfs/dbraw/zinc/03/80/05/711038005.db2.gz NNCOKCVQKWCDKB-RTXFEEFZSA-N 0 3 237.343 2.592 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccccc1[O-] ZINC000393967101 711180355 /nfs/dbraw/zinc/18/03/55/711180355.db2.gz RRTSAAURDYZFHN-ZYHUDNBSSA-N 0 3 237.343 2.592 20 10 BFCDHN C[C@H]([NH2+]CCOC(F)(F)F)c1ccccc1[O-] ZINC000398253855 711405644 /nfs/dbraw/zinc/40/56/44/711405644.db2.gz PAOUXGCPMIGSDP-QMMMGPOBSA-N 0 3 249.232 2.579 20 10 BFCDHN [O-]c1ccccc1C[NH+]1C2CCC1CC2 ZINC000398815415 711415613 /nfs/dbraw/zinc/41/56/13/711415613.db2.gz AMZJZASGIUYPNP-UHFFFAOYSA-N 0 3 203.285 2.519 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccco1)CC2 ZINC000380955423 710595433 /nfs/dbraw/zinc/59/54/33/710595433.db2.gz REROFSUBDKQCDW-ZDUSSCGKSA-N 0 3 243.306 2.805 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccco1)CC2 ZINC000380955422 710596175 /nfs/dbraw/zinc/59/61/75/710596175.db2.gz REROFSUBDKQCDW-CYBMUJFWSA-N 0 3 243.306 2.805 20 10 BFCDHN C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccccc1[O-] ZINC000381292371 710617551 /nfs/dbraw/zinc/61/75/51/710617551.db2.gz DTGGIBWYULNIIY-SNVBAGLBSA-N 0 3 217.312 2.985 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)ccc1[O-] ZINC000397742310 711390495 /nfs/dbraw/zinc/39/04/95/711390495.db2.gz IWAAPKZYYCNESY-GUDRVLHUSA-N 0 3 235.302 2.980 20 10 BFCDHN Cc1nocc1CN[C@@H](C)c1ccccc1O ZINC000397916657 711396142 /nfs/dbraw/zinc/39/61/42/711396142.db2.gz HKNTTXJKHIKSAO-JTQLQIEISA-N 0 3 232.283 2.539 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1[O-] ZINC000715369222 711544020 /nfs/dbraw/zinc/54/40/20/711544020.db2.gz IASINILKQVEVEL-SKDRFNHKSA-N 0 3 203.285 2.595 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCC12CC2 ZINC000706523629 712149168 /nfs/dbraw/zinc/14/91/68/712149168.db2.gz MBXGMUBLUJSYCF-ZDUSSCGKSA-N 0 3 217.312 2.815 20 10 BFCDHN C[C@@H]([NH2+]CCc1ccns1)c1ccccc1[O-] ZINC000709870778 712230480 /nfs/dbraw/zinc/23/04/80/712230480.db2.gz OUODWDQXGYGBHJ-SNVBAGLBSA-N 0 3 248.351 2.742 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1C=CCC1 ZINC000711728826 712319974 /nfs/dbraw/zinc/31/99/74/712319974.db2.gz LVXDHLSCTGKVCE-JTQLQIEISA-N 0 3 221.275 2.587 20 10 BFCDHN COC(C)(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000711877620 712337505 /nfs/dbraw/zinc/33/75/05/712337505.db2.gz SYXYVKZXAVISGO-LBPRGKRZSA-N 0 3 249.354 2.784 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1CCN1CC)c1ccccc1[O-] ZINC000712527827 712440953 /nfs/dbraw/zinc/44/09/53/712440953.db2.gz HDCXHHFELXZESR-OCCSQVGLSA-N 0 3 248.370 2.527 20 10 BFCDHN CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000716896676 712581083 /nfs/dbraw/zinc/58/10/83/712581083.db2.gz XALMMHKSJHWGTL-UHTWSYAYSA-N 0 3 249.354 2.519 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000825232383 712592115 /nfs/dbraw/zinc/59/21/15/712592115.db2.gz UDRAXLIBXWLUOX-IACUBPJLSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1[O-] ZINC000717390680 712653667 /nfs/dbraw/zinc/65/36/67/712653667.db2.gz BZGMPPZDPRLAJQ-NEPJUHHUSA-N 0 3 249.354 2.858 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCS1)CC2 ZINC000380170116 712705142 /nfs/dbraw/zinc/70/51/42/712705142.db2.gz WSJFXQQGFUGQIG-NWDGAFQWSA-N 0 3 249.379 2.865 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCS1)CC2 ZINC000380170118 712705185 /nfs/dbraw/zinc/70/51/85/712705185.db2.gz WSJFXQQGFUGQIG-RYUDHWBXSA-N 0 3 249.379 2.865 20 10 BFCDHN C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1[O-] ZINC000038095426 712808041 /nfs/dbraw/zinc/80/80/41/712808041.db2.gz LFBSYBLZZPKNKY-NWDGAFQWSA-N 0 3 235.327 2.612 20 10 BFCDHN COC(C)(C)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000720201370 712829217 /nfs/dbraw/zinc/82/92/17/712829217.db2.gz KIAPSARXNLADEA-ZYHUDNBSSA-N 0 3 249.354 2.783 20 10 BFCDHN CC1(C[NH2+]Cc2ccccc2[O-])CC(F)(F)C1 ZINC000720923422 712878991 /nfs/dbraw/zinc/87/89/91/712878991.db2.gz PPPUULUANWVHFJ-UHFFFAOYSA-N 0 3 241.281 2.917 20 10 BFCDHN CCCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001252111367 968594986 /nfs/dbraw/zinc/59/49/86/968594986.db2.gz STAYKAXDRHKMIQ-RYUDHWBXSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237118720 979820948 /nfs/dbraw/zinc/82/09/48/979820948.db2.gz ATFLXOVXCDGNCR-UHFFFAOYSA-N 0 3 249.232 2.743 20 10 BFCDHN CC[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237118720 979820949 /nfs/dbraw/zinc/82/09/49/979820949.db2.gz ATFLXOVXCDGNCR-UHFFFAOYSA-N 0 3 249.232 2.743 20 10 BFCDHN Cc1ccc(C[NH2+]CCC2CSC2)c([O-])c1 ZINC001184389759 980061779 /nfs/dbraw/zinc/06/17/79/980061779.db2.gz ZJOVQBSFDOBFQO-UHFFFAOYSA-N 0 3 237.368 2.543 20 10 BFCDHN Cn1ccc2ccc(C3=CNCCC3)cc21 ZINC001243950495 971045668 /nfs/dbraw/zinc/04/56/68/971045668.db2.gz WIPPJGSUZBZAJF-UHFFFAOYSA-N 0 3 212.296 2.903 20 10 BFCDHN C[C@@H](Cc1ccccn1)[NH2+]Cc1ccccc1[O-] ZINC000694022010 959677476 /nfs/dbraw/zinc/67/74/76/959677476.db2.gz LQKLFKSAGIVABH-LBPRGKRZSA-N 0 3 242.322 2.508 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000694254163 959813554 /nfs/dbraw/zinc/81/35/54/959813554.db2.gz HZSYWKBHCMUASH-SGMGOOAPSA-N 0 3 231.339 2.918 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694254160 959814353 /nfs/dbraw/zinc/81/43/53/959814353.db2.gz HZSYWKBHCMUASH-DYEKYZERSA-N 0 3 231.339 2.918 20 10 BFCDHN CCOc1ccc(C[NH+]2CC3(CCC3)C2)c([O-])c1 ZINC001237050949 966627940 /nfs/dbraw/zinc/62/79/40/966627940.db2.gz YUEJUHIGQXBFMS-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001203549936 966685181 /nfs/dbraw/zinc/68/51/81/966685181.db2.gz DEPQHUSIYBEPSJ-LBPRGKRZSA-N 0 3 223.291 2.716 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001203549936 966685191 /nfs/dbraw/zinc/68/51/91/966685191.db2.gz DEPQHUSIYBEPSJ-LBPRGKRZSA-N 0 3 223.291 2.716 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CCC2(CCCO2)CC1 ZINC001203556455 966691289 /nfs/dbraw/zinc/69/12/89/966691289.db2.gz PSZSPZRRJXWGLR-UHFFFAOYSA-N 0 3 247.338 2.537 20 10 BFCDHN Oc1ccc(CN2CCCCC23CC3)cc1O ZINC001203878592 966806012 /nfs/dbraw/zinc/80/60/12/966806012.db2.gz DIGSLMRNTOTHAN-UHFFFAOYSA-N 0 3 233.311 2.616 20 10 BFCDHN Oc1ccc(CN2CCCC3(CCC3)C2)cc1O ZINC001203881513 966808715 /nfs/dbraw/zinc/80/87/15/966808715.db2.gz QCIJHPBABRTMSN-UHFFFAOYSA-N 0 3 247.338 2.864 20 10 BFCDHN C[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204271674 966954057 /nfs/dbraw/zinc/95/40/57/966954057.db2.gz BJVIDXGUJFSUFS-UHFFFAOYSA-N 0 3 243.306 2.730 20 10 BFCDHN C[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204271674 966954062 /nfs/dbraw/zinc/95/40/62/966954062.db2.gz BJVIDXGUJFSUFS-UHFFFAOYSA-N 0 3 243.306 2.730 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001204276991 966958981 /nfs/dbraw/zinc/95/89/81/966958981.db2.gz VDUBMMRYMXDINA-NEPJUHHUSA-N 0 3 247.338 2.720 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001204276991 966958988 /nfs/dbraw/zinc/95/89/88/966958988.db2.gz VDUBMMRYMXDINA-NEPJUHHUSA-N 0 3 247.338 2.720 20 10 BFCDHN CC[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204277377 966960270 /nfs/dbraw/zinc/96/02/70/966960270.db2.gz BVZADDBBLQWOFP-LBPRGKRZSA-N 0 3 235.327 2.862 20 10 BFCDHN CC[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204277377 966960278 /nfs/dbraw/zinc/96/02/78/966960278.db2.gz BVZADDBBLQWOFP-LBPRGKRZSA-N 0 3 235.327 2.862 20 10 BFCDHN CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204281113 966961412 /nfs/dbraw/zinc/96/14/12/966961412.db2.gz QZSIRMZEIMQMSE-ZDUSSCGKSA-N 0 3 235.327 2.718 20 10 BFCDHN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204281113 966961419 /nfs/dbraw/zinc/96/14/19/966961419.db2.gz QZSIRMZEIMQMSE-ZDUSSCGKSA-N 0 3 235.327 2.718 20 10 BFCDHN CCOCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203558252 967001516 /nfs/dbraw/zinc/00/15/16/967001516.db2.gz AHAUFFOJVAEFOO-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCCO1 ZINC001207960749 968960132 /nfs/dbraw/zinc/96/01/32/968960132.db2.gz UZDQGHGBRVVGTL-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCCO1 ZINC001207960749 968960141 /nfs/dbraw/zinc/96/01/41/968960141.db2.gz UZDQGHGBRVVGTL-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]1C ZINC001209430008 969495761 /nfs/dbraw/zinc/49/57/61/969495761.db2.gz IUCRTDOZBVFWFQ-AAEUAGOBSA-N 0 3 219.328 2.870 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]1C ZINC001209430008 969495765 /nfs/dbraw/zinc/49/57/65/969495765.db2.gz IUCRTDOZBVFWFQ-AAEUAGOBSA-N 0 3 219.328 2.870 20 10 BFCDHN CC[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173264078 975119630 /nfs/dbraw/zinc/11/96/30/975119630.db2.gz QTURRXJXPOCJDQ-JQWIXIFHSA-N 0 3 235.327 2.766 20 10 BFCDHN CC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1O ZINC001231594211 977640704 /nfs/dbraw/zinc/64/07/04/977640704.db2.gz YAFOLJYGMQRABZ-AWEZNQCLSA-N 0 3 247.338 2.644 20 10 BFCDHN Cc1cccc(CN2CCOC[C@@H]2C(C)C)c1O ZINC001231594172 977641640 /nfs/dbraw/zinc/64/16/40/977641640.db2.gz UZKHWURDFNNILK-CQSZACIVSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1cccc(CN2CCOC[C@H]2C(C)C)c1O ZINC001231594170 977643029 /nfs/dbraw/zinc/64/30/29/977643029.db2.gz UZKHWURDFNNILK-AWEZNQCLSA-N 0 3 249.354 2.557 20 10 BFCDHN CC[C@H]1COCCN1Cc1c(C)cc(C)cc1O ZINC001231846239 977761313 /nfs/dbraw/zinc/76/13/13/977761313.db2.gz IZMZCKCGOWYDIB-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN CCN1CCN(c2ccc(OC(C)C)cc2)CC1 ZINC001234658164 978891937 /nfs/dbraw/zinc/89/19/37/978891937.db2.gz WBLVEOGKVALLGB-UHFFFAOYSA-N 0 3 248.370 2.616 20 10 BFCDHN C[N@@H+](Cc1ccc(O)cc1[O-])C[C@@H]1CC1(C)C ZINC001204280472 978944511 /nfs/dbraw/zinc/94/45/11/978944511.db2.gz KFWABSBFCZFVES-NSHDSACASA-N 0 3 235.327 2.576 20 10 BFCDHN C[N@H+](Cc1ccc(O)cc1[O-])C[C@@H]1CC1(C)C ZINC001204280472 978944515 /nfs/dbraw/zinc/94/45/15/978944515.db2.gz KFWABSBFCZFVES-NSHDSACASA-N 0 3 235.327 2.576 20 10 BFCDHN CCc1cccc(CN2CCC[C@@H](F)C2)c1O ZINC000689907144 979061202 /nfs/dbraw/zinc/06/12/02/979061202.db2.gz CNGCYXBSQOQXSC-CYBMUJFWSA-N 0 3 237.318 2.889 20 10 BFCDHN CCc1ccc(C[NH+]2CCCC2)c([O-])c1 ZINC001236782213 979727441 /nfs/dbraw/zinc/72/74/41/979727441.db2.gz KREKSMCEQGKUOJ-UHFFFAOYSA-N 0 3 205.301 2.550 20 10 BFCDHN CCc1ccc(CN2CCC[C@H](F)C2)c(O)c1 ZINC001236788687 979727718 /nfs/dbraw/zinc/72/77/18/979727718.db2.gz NDAOTSHZCZROPP-ZDUSSCGKSA-N 0 3 237.318 2.889 20 10 BFCDHN CCc1ccc(C[N@@H+]2CC[C@H]2C)c([O-])c1 ZINC001236783585 979730404 /nfs/dbraw/zinc/73/04/04/979730404.db2.gz MMOBCUQZIFHCBI-SNVBAGLBSA-N 0 3 205.301 2.549 20 10 BFCDHN CCc1ccc(C[N@H+]2CC[C@H]2C)c([O-])c1 ZINC001236783585 979730413 /nfs/dbraw/zinc/73/04/13/979730413.db2.gz MMOBCUQZIFHCBI-SNVBAGLBSA-N 0 3 205.301 2.549 20 10 BFCDHN CCc1ccc(C[N@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC001236789309 979732663 /nfs/dbraw/zinc/73/26/63/979732663.db2.gz VGGFQSKIEWUAHQ-AWEZNQCLSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC001236789309 979732674 /nfs/dbraw/zinc/73/26/74/979732674.db2.gz VGGFQSKIEWUAHQ-AWEZNQCLSA-N 0 3 249.354 2.565 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C)C2)c([O-])c1 ZINC001236808122 979739427 /nfs/dbraw/zinc/73/94/27/979739427.db2.gz NCENQQWDTJQPGP-JTQLQIEISA-N 0 3 235.327 2.551 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@H](C)C2)c([O-])c1 ZINC001236808122 979739437 /nfs/dbraw/zinc/73/94/37/979739437.db2.gz NCENQQWDTJQPGP-JTQLQIEISA-N 0 3 235.327 2.551 20 10 BFCDHN COCC[N@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236839668 979750650 /nfs/dbraw/zinc/75/06/50/979750650.db2.gz LIWBEEIVVPXKFG-UHFFFAOYSA-N 0 3 245.322 2.624 20 10 BFCDHN COCC[N@@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236839668 979750655 /nfs/dbraw/zinc/75/06/55/979750655.db2.gz LIWBEEIVVPXKFG-UHFFFAOYSA-N 0 3 245.322 2.624 20 10 BFCDHN COc1cc(C)c(C[NH2+]C[C@@H]2C=CCC2)c([O-])c1 ZINC001183527080 979834927 /nfs/dbraw/zinc/83/49/27/979834927.db2.gz TTWOVEQGEOKIKY-GFCCVEGCSA-N 0 3 247.338 2.765 20 10 BFCDHN COc1cc(C)c(C[NH2+]C[C@H]2C=CCC2)c([O-])c1 ZINC001183527265 979835402 /nfs/dbraw/zinc/83/54/02/979835402.db2.gz TTWOVEQGEOKIKY-LBPRGKRZSA-N 0 3 247.338 2.765 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237489448 979910271 /nfs/dbraw/zinc/91/02/71/979910271.db2.gz AWRZBCMUABNPRD-YPMHNXCESA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237489448 979910274 /nfs/dbraw/zinc/91/02/74/979910274.db2.gz AWRZBCMUABNPRD-YPMHNXCESA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001237483609 979912037 /nfs/dbraw/zinc/91/20/37/979912037.db2.gz QINRROOGAKZRRE-CHWSQXEVSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC2(CC2)C1 ZINC001237485140 979912557 /nfs/dbraw/zinc/91/25/57/979912557.db2.gz MHLFSQJZBKFLAA-UHFFFAOYSA-N 0 3 217.312 2.687 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC2(CC2)C1 ZINC001237485140 979912562 /nfs/dbraw/zinc/91/25/62/979912562.db2.gz MHLFSQJZBKFLAA-UHFFFAOYSA-N 0 3 217.312 2.687 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001237489446 979914567 /nfs/dbraw/zinc/91/45/67/979914567.db2.gz AWRZBCMUABNPRD-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237489446 979914574 /nfs/dbraw/zinc/91/45/74/979914574.db2.gz AWRZBCMUABNPRD-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)C(C)(C)C ZINC001237489641 979915799 /nfs/dbraw/zinc/91/57/99/979915799.db2.gz JMAIBDYXSPAZLE-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)C(C)(C)C ZINC001237489641 979915809 /nfs/dbraw/zinc/91/58/09/979915809.db2.gz JMAIBDYXSPAZLE-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](OC(C)C)C1 ZINC001237491060 979917146 /nfs/dbraw/zinc/91/71/46/979917146.db2.gz FXQHCIISTGZXCY-ZDUSSCGKSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001237491060 979917157 /nfs/dbraw/zinc/91/71/57/979917157.db2.gz FXQHCIISTGZXCY-ZDUSSCGKSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+](C)C(C)C)c1[O-] ZINC001238056215 980132502 /nfs/dbraw/zinc/13/25/02/980132502.db2.gz FSAGABCCESXXBV-UHFFFAOYSA-N 0 3 211.280 2.680 20 10 BFCDHN Cc1cc(F)cc(C[N@H+](C)C(C)C)c1[O-] ZINC001238056215 980132505 /nfs/dbraw/zinc/13/25/05/980132505.db2.gz FSAGABCCESXXBV-UHFFFAOYSA-N 0 3 211.280 2.680 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC001238060337 980133499 /nfs/dbraw/zinc/13/34/99/980133499.db2.gz HUAHDUKJPTWARJ-VIFPVBQESA-N 0 3 223.291 2.682 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC001238060337 980133509 /nfs/dbraw/zinc/13/35/09/980133509.db2.gz HUAHDUKJPTWARJ-VIFPVBQESA-N 0 3 223.291 2.682 20 10 BFCDHN C[C@H](c1cccnc1)N(C)Cc1ccc(N)cc1 ZINC001352790479 982581349 /nfs/dbraw/zinc/58/13/49/982581349.db2.gz RLJNDTKMGYOLKX-GFCCVEGCSA-N 0 3 241.338 2.857 20 10 BFCDHN C[C@@H](c1cccnc1)N(C)Cc1ccc(N)cc1 ZINC001352790524 982582732 /nfs/dbraw/zinc/58/27/32/982582732.db2.gz RLJNDTKMGYOLKX-LBPRGKRZSA-N 0 3 241.338 2.857 20 10 BFCDHN CC(C)(C)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201441645 983242856 /nfs/dbraw/zinc/24/28/56/983242856.db2.gz JARYVCNFAGYBDE-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CC(C)(C)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001201441645 983242869 /nfs/dbraw/zinc/24/28/69/983242869.db2.gz JARYVCNFAGYBDE-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc[nH]1 ZINC001201832956 983493423 /nfs/dbraw/zinc/49/34/23/983493423.db2.gz IQDZNFZYOHIOSV-NSHDSACASA-N 0 3 242.322 2.800 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2ccc(N)cc2)c([O-])c1 ZINC001579697096 986194026 /nfs/dbraw/zinc/19/40/26/986194026.db2.gz WNLLSQZANQSQSO-UHFFFAOYSA-N 0 3 242.322 2.573 20 10 BFCDHN [O-]c1cccc2c1C[N@@H+](C1CCSCC1)CC2 ZINC001255093702 986813655 /nfs/dbraw/zinc/81/36/55/986813655.db2.gz BJCIAZAPZJMWOL-UHFFFAOYSA-N 0 3 249.379 2.646 20 10 BFCDHN [O-]c1cccc2c1C[N@H+](C1CCSCC1)CC2 ZINC001255093702 986813656 /nfs/dbraw/zinc/81/36/56/986813656.db2.gz BJCIAZAPZJMWOL-UHFFFAOYSA-N 0 3 249.379 2.646 20 10 BFCDHN Nc1ccc(CN2CCCc3occc3C2)cc1 ZINC001580443602 986853243 /nfs/dbraw/zinc/85/32/43/986853243.db2.gz SFAWLNXQCRJJKR-UHFFFAOYSA-N 0 3 242.322 2.810 20 10 BFCDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2CC2(C)C)c([O-])c1 ZINC000397659495 986997938 /nfs/dbraw/zinc/99/79/38/986997938.db2.gz DZUFBYHVWIULTR-MFKMUULPSA-N 0 3 249.354 2.925 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001308619418 991065724 /nfs/dbraw/zinc/06/57/24/991065724.db2.gz MVYWROSZMPGXMR-TXEJJXNPSA-N 0 3 249.354 2.797 20 10 BFCDHN COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001308619418 991065732 /nfs/dbraw/zinc/06/57/32/991065732.db2.gz MVYWROSZMPGXMR-TXEJJXNPSA-N 0 3 249.354 2.797 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC001308874604 991194343 /nfs/dbraw/zinc/19/43/43/991194343.db2.gz WOIWISJHRVDDEN-RYUDHWBXSA-N 0 3 247.338 2.551 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC001308874604 991194352 /nfs/dbraw/zinc/19/43/52/991194352.db2.gz WOIWISJHRVDDEN-RYUDHWBXSA-N 0 3 247.338 2.551 20 10 BFCDHN Cc1ccc(C)c(CN2CCCC(=O)CC2)c1O ZINC001140181259 991553476 /nfs/dbraw/zinc/55/34/76/991553476.db2.gz RXUHLVUBSFDGJO-UHFFFAOYSA-N 0 3 247.338 2.564 20 10 BFCDHN Cc1ccc(C)c(CN2C[C@@H](C)OC[C@H]2C)c1O ZINC001140183600 991558812 /nfs/dbraw/zinc/55/88/12/991558812.db2.gz FBYXTYIJRRPHNB-CHWSQXEVSA-N 0 3 249.354 2.618 20 10 BFCDHN CC[C@@H]1COCCN1Cc1c(C)ccc(C)c1O ZINC001140182181 991558837 /nfs/dbraw/zinc/55/88/37/991558837.db2.gz JSNRDFBHDNULJT-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1C ZINC000266144674 178197053 /nfs/dbraw/zinc/19/70/53/178197053.db2.gz IIXCNJUYFWYLBY-CHWSQXEVSA-N 0 3 249.354 2.524 20 10 BFCDHN CC[N@H+](Cc1ccncc1)Cc1ccccc1[O-] ZINC000009849731 342828579 /nfs/dbraw/zinc/82/85/79/342828579.db2.gz GPZGZLIENBQZSA-UHFFFAOYSA-N 0 3 242.322 2.809 20 10 BFCDHN CC[N@@H+](Cc1ccncc1)Cc1ccccc1[O-] ZINC000009849731 342828580 /nfs/dbraw/zinc/82/85/80/342828580.db2.gz GPZGZLIENBQZSA-UHFFFAOYSA-N 0 3 242.322 2.809 20 10 BFCDHN CC1(C)CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000284450862 187241165 /nfs/dbraw/zinc/24/11/65/187241165.db2.gz SLQXVAYYRQLKOB-GFCCVEGCSA-N 0 3 205.301 2.670 20 10 BFCDHN CC[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1[O-] ZINC000037267101 343342327 /nfs/dbraw/zinc/34/23/27/343342327.db2.gz XRBVOGBLORCCBH-AWEZNQCLSA-N 0 3 248.370 2.527 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403589941 343656790 /nfs/dbraw/zinc/65/67/90/343656790.db2.gz CVQXUBGMLVZRHD-MBNYWOFBSA-N 0 3 231.339 2.918 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCOC(C)C)c1 ZINC000168875502 178801829 /nfs/dbraw/zinc/80/18/29/178801829.db2.gz DOYLEYAKCASONW-GFCCVEGCSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])CC(C)C ZINC000132038117 345314142 /nfs/dbraw/zinc/31/41/42/345314142.db2.gz YWZWUVPTVUZAFF-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[N@H+](Cc1cc(OC)ccc1[O-])CC(C)C ZINC000132038117 345314146 /nfs/dbraw/zinc/31/41/46/345314146.db2.gz YWZWUVPTVUZAFF-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[N@H+](Cc1cc(OC)ccc1[O-])C(C)C ZINC000132568771 345335253 /nfs/dbraw/zinc/33/52/53/345335253.db2.gz KNMVKQPPJRHWJN-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])C(C)C ZINC000132568771 345335256 /nfs/dbraw/zinc/33/52/56/345335256.db2.gz KNMVKQPPJRHWJN-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN Cc1cccc(C[NH+]2CCC(C)CC2)c1[O-] ZINC000162806104 179074868 /nfs/dbraw/zinc/07/48/68/179074868.db2.gz ZSCGHPDNUABZGL-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc(CN2CCC[C@H]2CF)c1O ZINC000293933850 179077515 /nfs/dbraw/zinc/07/75/15/179077515.db2.gz HPKCLJMRGATRSU-LBPRGKRZSA-N 0 3 223.291 2.635 20 10 BFCDHN Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1[O-] ZINC000162815057 179084249 /nfs/dbraw/zinc/08/42/49/179084249.db2.gz JXQFVDNPJAEBCM-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1[O-] ZINC000162815057 179084250 /nfs/dbraw/zinc/08/42/50/179084250.db2.gz JXQFVDNPJAEBCM-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc(C[NH2+]CC2(C)CCC2)c1[O-] ZINC000133369415 179089867 /nfs/dbraw/zinc/08/98/67/179089867.db2.gz WJTJWHSZFQOGNY-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1cccc(C[NH2+]CCC(C)C)c1[O-] ZINC000083345242 179090728 /nfs/dbraw/zinc/09/07/28/179090728.db2.gz VLZWVFGAPGWSRV-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN Cc1cccc(C[NH2+]CCC2(C)CC2)c1[O-] ZINC000280639288 179091204 /nfs/dbraw/zinc/09/12/04/179091204.db2.gz RCPMOOAFJTVGEX-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ncc(CNCc2cccc(C)c2O)s1 ZINC000124804586 180153287 /nfs/dbraw/zinc/15/32/87/180153287.db2.gz WFOFHTNXZHEDFU-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000279999692 351831861 /nfs/dbraw/zinc/83/18/61/351831861.db2.gz FVPRTGVIFLBGCV-TZMCWYRMSA-N 0 3 249.354 2.920 20 10 BFCDHN CO[C@]1(C)CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000230299755 188363324 /nfs/dbraw/zinc/36/33/24/188363324.db2.gz NJSJNKLYNUSRHU-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@]1(C)CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000230299755 188363326 /nfs/dbraw/zinc/36/33/26/188363326.db2.gz NJSJNKLYNUSRHU-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCOCC2CC2)c1 ZINC000230661269 353521783 /nfs/dbraw/zinc/52/17/83/353521783.db2.gz QSKHCDAENCUGAK-LBPRGKRZSA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCOCC2CC2)c([O-])c1 ZINC000230661326 353522025 /nfs/dbraw/zinc/52/20/25/353522025.db2.gz XNNIAWFRARQAQE-LBPRGKRZSA-N 0 3 249.354 2.778 20 10 BFCDHN CCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000130050495 169080938 /nfs/dbraw/zinc/08/09/38/169080938.db2.gz YQRDMLVDYWXVKS-UHFFFAOYSA-N 0 3 243.734 2.896 20 10 BFCDHN CCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000130050495 169080940 /nfs/dbraw/zinc/08/09/40/169080940.db2.gz YQRDMLVDYWXVKS-UHFFFAOYSA-N 0 3 243.734 2.896 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CF)CC1 ZINC000294943604 183275241 /nfs/dbraw/zinc/27/52/41/183275241.db2.gz CKUHUYWJTZBWRL-UHFFFAOYSA-N 0 3 241.281 2.713 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCCO1)CC2 ZINC000296004266 183296870 /nfs/dbraw/zinc/29/68/70/183296870.db2.gz OOIPENPBHZRXGL-OLZOCXBDSA-N 0 3 247.338 2.538 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000361054112 183301513 /nfs/dbraw/zinc/30/15/13/183301513.db2.gz UASOCIXATLPZFG-LBPRGKRZSA-N 0 3 217.312 2.624 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000361054112 183301515 /nfs/dbraw/zinc/30/15/15/183301515.db2.gz UASOCIXATLPZFG-LBPRGKRZSA-N 0 3 217.312 2.624 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000179576128 183302504 /nfs/dbraw/zinc/30/25/04/183302504.db2.gz ZLFWKQQNJDUSHC-UHFFFAOYSA-N 0 3 217.312 2.768 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC2(CCC2)C1 ZINC000179576128 183302505 /nfs/dbraw/zinc/30/25/05/183302505.db2.gz ZLFWKQQNJDUSHC-UHFFFAOYSA-N 0 3 217.312 2.768 20 10 BFCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000034957233 183303575 /nfs/dbraw/zinc/30/35/75/183303575.db2.gz FXDYKZYMRRLTRS-UHFFFAOYSA-N 0 3 231.270 2.821 20 10 BFCDHN [O-]c1ccccc1C[NH2+]Cc1cccs1 ZINC000020138955 183303817 /nfs/dbraw/zinc/30/38/17/183303817.db2.gz PUZOSXONINVQDN-UHFFFAOYSA-N 0 3 219.309 2.744 20 10 BFCDHN CCCOc1ccc(C[NH2+]C2CCC2)c([O-])c1 ZINC000264499103 169318109 /nfs/dbraw/zinc/31/81/09/169318109.db2.gz HYOXOBIALGMNBZ-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN Cc1ccc(O)c([C@H](C)NCc2cccnc2)c1 ZINC000035628868 383866505 /nfs/dbraw/zinc/86/65/05/383866505.db2.gz CCRAHBOUZUMSQR-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2)c1 ZINC000035628868 383866512 /nfs/dbraw/zinc/86/65/12/383866512.db2.gz CCRAHBOUZUMSQR-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])OC ZINC000290271040 383961922 /nfs/dbraw/zinc/96/19/22/383961922.db2.gz WDYHHENFLHYYTR-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccccc1[O-] ZINC000296266970 384010687 /nfs/dbraw/zinc/01/06/87/384010687.db2.gz DMIOAKUXFAVNIE-NWDGAFQWSA-N 0 3 237.343 2.594 20 10 BFCDHN CSC[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000076769426 384061501 /nfs/dbraw/zinc/06/15/01/384061501.db2.gz BERDMGBRFHXDEV-SNVBAGLBSA-N 0 3 225.357 2.542 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCC(C)C)c1 ZINC000070954814 384144242 /nfs/dbraw/zinc/14/42/42/384144242.db2.gz GFBKIEKQFZTBDH-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN Cc1ccc(O)c(CNCc2ccc(C)nc2)c1 ZINC000071409357 384166339 /nfs/dbraw/zinc/16/63/39/384166339.db2.gz WUFDFINVWHASQI-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C)nc2)c1 ZINC000071409357 384166342 /nfs/dbraw/zinc/16/63/42/384166342.db2.gz WUFDFINVWHASQI-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000132597285 384238286 /nfs/dbraw/zinc/23/82/86/384238286.db2.gz HIIMPNNNTSOWFG-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000132597285 384238294 /nfs/dbraw/zinc/23/82/94/384238294.db2.gz HIIMPNNNTSOWFG-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CCOc1cccc(C[N@H+](C)C2CCC2)c1[O-] ZINC000093475779 384241995 /nfs/dbraw/zinc/24/19/95/384241995.db2.gz NVYCJWIXSFDABI-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[N@@H+](C)C2CCC2)c1[O-] ZINC000093475779 384241999 /nfs/dbraw/zinc/24/19/99/384241999.db2.gz NVYCJWIXSFDABI-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H](C)COC)c1ccccc1[O-] ZINC000045656080 384400825 /nfs/dbraw/zinc/40/08/25/384400825.db2.gz GSNPDPXKTPKAGT-WCQYABFASA-N 0 3 237.343 2.715 20 10 BFCDHN C[C@@H]([NH2+]CCCOCC1CC1)c1ccccc1[O-] ZINC000020190586 384592877 /nfs/dbraw/zinc/59/28/77/384592877.db2.gz MIHSSYKJUVPONF-GFCCVEGCSA-N 0 3 249.354 2.860 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000173358731 384675571 /nfs/dbraw/zinc/67/55/71/384675571.db2.gz FVWMBHQGHJPQSA-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000173358731 384675577 /nfs/dbraw/zinc/67/55/77/384675577.db2.gz FVWMBHQGHJPQSA-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccccc1[O-] ZINC000187985812 385001549 /nfs/dbraw/zinc/00/15/49/385001549.db2.gz ZHBOVXSDBYYKAO-YRGRVCCFSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@H]([NH2+]C[C@@](C)(O)CC)c1ccccc1[O-] ZINC000087013412 385063660 /nfs/dbraw/zinc/06/36/60/385063660.db2.gz SNIPETYAPCLPKF-JSGCOSHPSA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@@H]([NH2+]CC1CC1)c1cc(F)ccc1[O-] ZINC000087111318 385073027 /nfs/dbraw/zinc/07/30/27/385073027.db2.gz VPLBYEZQLVVDIV-MRVPVSSYSA-N 0 3 209.264 2.592 20 10 BFCDHN CS[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000164637596 385023823 /nfs/dbraw/zinc/02/38/23/385023823.db2.gz NOEMCLDRZGLXAE-DTWKUNHWSA-N 0 3 243.347 2.933 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189282088 385141364 /nfs/dbraw/zinc/14/13/64/385141364.db2.gz ITGTUIUJSMJLQS-OBJOEFQTSA-N 0 3 249.354 2.594 20 10 BFCDHN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000189116244 385126487 /nfs/dbraw/zinc/12/64/87/385126487.db2.gz WXCPZIQKDMMSDD-NWDGAFQWSA-N 0 3 237.343 2.522 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC2(C)CCC2)c1 ZINC000165486753 385133877 /nfs/dbraw/zinc/13/38/77/385133877.db2.gz AJLIMWYQKLVXFA-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c([O-])c1 ZINC000189288497 385140098 /nfs/dbraw/zinc/14/00/98/385140098.db2.gz ADMCKNPSSWVNNO-AGIUHOORSA-N 0 3 249.354 2.512 20 10 BFCDHN CCOc1cccc(C[NH2+]CC=C(C)C)c1[O-] ZINC000191630517 385311408 /nfs/dbraw/zinc/31/14/08/385311408.db2.gz JTAHRSAKYLIARR-UHFFFAOYSA-N 0 3 235.327 2.847 20 10 BFCDHN CC[C@]1(C)CN(Cc2cccc(C)c2O)CCO1 ZINC000191149965 385287539 /nfs/dbraw/zinc/28/75/39/385287539.db2.gz IBOWYYVSZRDZFX-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([C@@H](C)NCCF)c(O)c1C ZINC000280930129 385383671 /nfs/dbraw/zinc/38/36/71/385383671.db2.gz FLKMQJLBLFYIFX-SNVBAGLBSA-N 0 3 211.280 2.629 20 10 BFCDHN CCC[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000168770204 385384919 /nfs/dbraw/zinc/38/49/19/385384919.db2.gz UBBVBJWRRSSREL-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN CCOc1ccc(O)c(CNCc2ccoc2)c1 ZINC000171128413 385469411 /nfs/dbraw/zinc/46/94/11/385469411.db2.gz YJBYKKMZRFKXFP-UHFFFAOYSA-N 0 3 247.294 2.674 20 10 BFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000179893631 385498458 /nfs/dbraw/zinc/49/84/58/385498458.db2.gz HJJLHBRKLWDBKQ-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000179893631 385498461 /nfs/dbraw/zinc/49/84/61/385498461.db2.gz HJJLHBRKLWDBKQ-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN CCOC[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180621859 385534785 /nfs/dbraw/zinc/53/47/85/385534785.db2.gz YPWQBNGDNJHDAX-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180621859 385534789 /nfs/dbraw/zinc/53/47/89/385534789.db2.gz YPWQBNGDNJHDAX-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@H](NCCF)c1ccc(N(C)C)cc1 ZINC000281033233 385627680 /nfs/dbraw/zinc/62/76/80/385627680.db2.gz NEMAQEJDRYQSJQ-ZDUSSCGKSA-N 0 3 224.323 2.763 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1[O-] ZINC000229564804 385634238 /nfs/dbraw/zinc/63/42/38/385634238.db2.gz JEMGKUIWUBZERY-GWCFXTLKSA-N 0 3 245.326 2.917 20 10 BFCDHN C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccccc1[O-] ZINC000290165222 385647479 /nfs/dbraw/zinc/64/74/79/385647479.db2.gz MFPDVVQOQGBNMC-FZMZJTMJSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1[O-] ZINC000283420582 385657325 /nfs/dbraw/zinc/65/73/25/385657325.db2.gz RONQXHWFCVVJQQ-SKDRFNHKSA-N 0 3 237.368 2.937 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])[C@H](C)C1 ZINC000282125095 385734260 /nfs/dbraw/zinc/73/42/60/385734260.db2.gz AZXNYRMLADQKNA-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])[C@H](C)C1 ZINC000282125095 385734265 /nfs/dbraw/zinc/73/42/65/385734265.db2.gz AZXNYRMLADQKNA-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccccc1[O-] ZINC000183496914 385765751 /nfs/dbraw/zinc/76/57/51/385765751.db2.gz VCMWXLZHJFZEKR-NWDGAFQWSA-N 0 3 248.370 2.526 20 10 BFCDHN C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(F)ccc1[O-] ZINC000273361137 385991928 /nfs/dbraw/zinc/99/19/28/385991928.db2.gz ALUQQMRDZYYYEL-JTQLQIEISA-N 0 3 248.301 2.721 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272812109 385938680 /nfs/dbraw/zinc/93/86/80/385938680.db2.gz DHGPQDPIVSYWDP-IJLUTSLNSA-N 0 3 235.327 2.610 20 10 BFCDHN CCC1([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296319276 386162552 /nfs/dbraw/zinc/16/25/52/386162552.db2.gz GSMNUTIJWWTMBG-LLVKDONJSA-N 0 3 217.312 2.912 20 10 BFCDHN CC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000130049860 386136206 /nfs/dbraw/zinc/13/62/06/386136206.db2.gz SYKAAOQINFFAPT-UHFFFAOYSA-N 0 3 229.707 2.506 20 10 BFCDHN CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000130049860 386136209 /nfs/dbraw/zinc/13/62/09/386136209.db2.gz SYKAAOQINFFAPT-UHFFFAOYSA-N 0 3 229.707 2.506 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000278375680 386518300 /nfs/dbraw/zinc/51/83/00/386518300.db2.gz CCYIBHOMERBGBI-DYEKYZERSA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1[O-] ZINC000228553921 386583280 /nfs/dbraw/zinc/58/32/80/386583280.db2.gz FTCUYHXHDGPTNN-MNOVXSKESA-N 0 3 237.368 2.796 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000228850908 386626859 /nfs/dbraw/zinc/62/68/59/386626859.db2.gz TWEULQCQIHMUIK-ZLKJLUDKSA-N 0 3 249.354 2.511 20 10 BFCDHN CC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280229361 386791976 /nfs/dbraw/zinc/79/19/76/386791976.db2.gz VGPCGRYUFRJOAL-AAEUAGOBSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280154003 386783938 /nfs/dbraw/zinc/78/39/38/386783938.db2.gz QHPISULSNDLYBQ-JSGCOSHPSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000278343475 387553480 /nfs/dbraw/zinc/55/34/80/387553480.db2.gz AKIJOEQDJAAAEQ-KWCYVHTRSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000527651207 387659643 /nfs/dbraw/zinc/65/96/43/387659643.db2.gz GXOYPNMYPXTNTF-BPNCWPANSA-N 0 3 231.339 2.916 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000527737623 387668356 /nfs/dbraw/zinc/66/83/56/387668356.db2.gz HYWOPDYASKHDRZ-CYBMUJFWSA-N 0 3 249.354 2.607 20 10 BFCDHN CS[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000163995587 388122306 /nfs/dbraw/zinc/12/23/06/388122306.db2.gz JKZQAHIKOOXADD-NXEZZACHSA-N 0 3 225.357 2.794 20 10 BFCDHN CC/C=C/CNCc1ccc2c(c1)CCO2 ZINC000294909919 388405416 /nfs/dbraw/zinc/40/54/16/388405416.db2.gz AAMBZGVEPOJFSD-ONEGZZNKSA-N 0 3 217.312 2.677 20 10 BFCDHN CC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])OC ZINC000290222016 388377225 /nfs/dbraw/zinc/37/72/25/388377225.db2.gz QXNDBDKABULUPO-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000296295578 388420595 /nfs/dbraw/zinc/42/05/95/388420595.db2.gz FQEWYFNZXVXPLE-RISCZKNCSA-N 0 3 249.354 2.919 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296746641 388426456 /nfs/dbraw/zinc/42/64/56/388426456.db2.gz JPXLOUCSVGQYRA-RTXFEEFZSA-N 0 3 247.338 2.537 20 10 BFCDHN CCOc1cccc(C[NH2+]CC2CC=CC2)c1[O-] ZINC000527750543 388699599 /nfs/dbraw/zinc/69/95/99/388699599.db2.gz MPFLVCWXXOKMBU-UHFFFAOYSA-N 0 3 247.338 2.847 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCCCCO)CC2 ZINC000296655664 410028969 /nfs/dbraw/zinc/02/89/69/410028969.db2.gz DRTQIHOEUMSFCL-CYBMUJFWSA-N 0 3 249.354 2.522 20 10 BFCDHN CC(C)OCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296075572 167222512 /nfs/dbraw/zinc/22/25/12/167222512.db2.gz SJNRXONXOMDPHQ-CYBMUJFWSA-N 0 3 249.354 2.784 20 10 BFCDHN CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000163213339 167503028 /nfs/dbraw/zinc/50/30/28/167503028.db2.gz VWMLSMAZELJVAJ-UKRRQHHQSA-N 0 3 249.354 2.685 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000296632178 411197308 /nfs/dbraw/zinc/19/73/08/411197308.db2.gz XMWFPPOPEZJKMW-XQQFMLRXSA-N 0 3 249.354 2.512 20 10 BFCDHN CCC(C)(C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070954550 168299676 /nfs/dbraw/zinc/29/96/76/168299676.db2.gz ALTBVYJVCBGWGI-UHFFFAOYSA-N 0 3 207.317 2.979 20 10 BFCDHN CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000276998650 411442883 /nfs/dbraw/zinc/44/28/83/411442883.db2.gz YWHLMMKOONNMTJ-CMPLNLGQSA-N 0 3 237.343 2.695 20 10 BFCDHN CCOCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296120516 170369079 /nfs/dbraw/zinc/36/90/79/170369079.db2.gz VGRNXZSQIKFFGU-CYBMUJFWSA-N 0 3 249.354 2.786 20 10 BFCDHN CCOCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296120520 170370168 /nfs/dbraw/zinc/37/01/68/170370168.db2.gz VGRNXZSQIKFFGU-ZDUSSCGKSA-N 0 3 249.354 2.786 20 10 BFCDHN CCOCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020092267 170383267 /nfs/dbraw/zinc/38/32/67/170383267.db2.gz JPTQMJOYVLRQBT-GFCCVEGCSA-N 0 3 237.343 2.778 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CC)CO)c1ccc(C)cc1[O-] ZINC000280231098 170842866 /nfs/dbraw/zinc/84/28/66/170842866.db2.gz VGPCGRYUFRJOAL-WCQYABFASA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)ccc1O ZINC000131483350 171109481 /nfs/dbraw/zinc/10/94/81/171109481.db2.gz LKEGQVOAGLYMPS-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000042554467 171365703 /nfs/dbraw/zinc/36/57/03/171365703.db2.gz SNTNIZBAWHNGMS-WDEREUQCSA-N 0 3 237.343 2.925 20 10 BFCDHN CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000294188196 171368888 /nfs/dbraw/zinc/36/88/88/171368888.db2.gz KUBQUMUYLBUOIN-SMDDNHRTSA-N 0 3 237.343 2.543 20 10 BFCDHN COCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCC1 ZINC000282812172 174105340 /nfs/dbraw/zinc/10/53/40/174105340.db2.gz RIQSJVIOHNANRW-LBPRGKRZSA-N 0 3 249.354 2.860 20 10 BFCDHN COCCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297603772 174184956 /nfs/dbraw/zinc/18/49/56/174184956.db2.gz IDAGLGYNZHXVEM-ZDUSSCGKSA-N 0 3 249.354 2.786 20 10 BFCDHN COc1ccc(CNC[C@@H]2CCCCO2)cc1C ZINC000042816873 175107472 /nfs/dbraw/zinc/10/74/72/175107472.db2.gz PDYBKVDQTMOGQI-AWEZNQCLSA-N 0 3 249.354 2.662 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000156104042 175157612 /nfs/dbraw/zinc/15/76/12/175157612.db2.gz CVKFEHLNUXBQCU-VXGBXAGGSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000280912758 175157661 /nfs/dbraw/zinc/15/76/61/175157661.db2.gz QOPAZUDHNVXRAZ-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCC(C)=C(C)C2)c1 ZINC000280912758 175157663 /nfs/dbraw/zinc/15/76/63/175157663.db2.gz QOPAZUDHNVXRAZ-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CCC2(C)CC2)c1 ZINC000280623143 175158598 /nfs/dbraw/zinc/15/85/98/175158598.db2.gz PRQNUKXUOSEOTI-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC=CCC2)c1 ZINC000088747660 175159526 /nfs/dbraw/zinc/15/95/26/175159526.db2.gz JDJAENGENPMFPF-LBPRGKRZSA-N 0 3 233.311 2.599 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000168739975 175160376 /nfs/dbraw/zinc/16/03/76/175160376.db2.gz JESXEQCFGXKQCX-OUAUKWLOSA-N 0 3 235.327 2.707 20 10 BFCDHN COc1cccc(C[NH2+]CC2(C(C)C)CC2)c1[O-] ZINC000227832700 175262945 /nfs/dbraw/zinc/26/29/45/175262945.db2.gz NRJFDRIAYUDOGU-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN COc1cccc(C[NH2+][C@H](C)CC2CC2)c1[O-] ZINC000070100644 175267322 /nfs/dbraw/zinc/26/73/22/175267322.db2.gz QHERIBRCEKMQFU-SNVBAGLBSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1[O-] ZINC000071205658 175267591 /nfs/dbraw/zinc/26/75/91/175267591.db2.gz HIRQSWJXWYGZPS-PWSUYJOCSA-N 0 3 235.327 2.679 20 10 BFCDHN CS[C@@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162709898 175545045 /nfs/dbraw/zinc/54/50/45/175545045.db2.gz UDJXNXRDBXALCD-JTQLQIEISA-N 0 3 225.357 2.542 20 10 BFCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])CCS1 ZINC000190685390 176176032 /nfs/dbraw/zinc/17/60/32/176176032.db2.gz WTUMTWITECRPNS-LLVKDONJSA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CCS1 ZINC000190685390 176176034 /nfs/dbraw/zinc/17/60/34/176176034.db2.gz WTUMTWITECRPNS-LLVKDONJSA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2[O-])CCO1 ZINC000273087567 176366766 /nfs/dbraw/zinc/36/67/66/176366766.db2.gz RZKYRNRKPWPVKX-OLZOCXBDSA-N 0 3 249.354 2.687 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C ZINC000161349746 177165961 /nfs/dbraw/zinc/16/59/61/177165961.db2.gz NUFCLMJECQZJCV-RYUDHWBXSA-N 0 3 219.328 2.870 20 10 BFCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C ZINC000161349746 177165962 /nfs/dbraw/zinc/16/59/62/177165962.db2.gz NUFCLMJECQZJCV-RYUDHWBXSA-N 0 3 219.328 2.870 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000527977384 323740039 /nfs/dbraw/zinc/74/00/39/323740039.db2.gz ICBVBQBZSJWWOJ-GLQYFDAESA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1cccc(C[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000529636819 324367845 /nfs/dbraw/zinc/36/78/45/324367845.db2.gz IBNKENNHEGKPOH-ZDUSSCGKSA-N 0 3 249.354 2.607 20 10 BFCDHN COCC1([NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000853091506 588719343 /nfs/dbraw/zinc/71/93/43/588719343.db2.gz SUAYOMUMHLPDRG-UHFFFAOYSA-N 0 3 249.354 2.831 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@H](C)C2(C)CC2)c1[O-] ZINC000894204989 583341864 /nfs/dbraw/zinc/34/18/64/583341864.db2.gz VXXJAJMEHQUYBS-LLVKDONJSA-N 0 3 249.354 2.987 20 10 BFCDHN COc1ccc(CNCc2cc(C)co2)c(O)c1 ZINC000894636995 583498049 /nfs/dbraw/zinc/49/80/49/583498049.db2.gz MYTLGTXJQQAHKJ-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000895060318 583576489 /nfs/dbraw/zinc/57/64/89/583576489.db2.gz OHUUHEFSFQFCFP-PTEHBNRSSA-N 0 3 247.338 2.597 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CCC(F)CC1 ZINC000895547152 583686705 /nfs/dbraw/zinc/68/67/05/583686705.db2.gz NTYCWIJUDHLSLW-UHFFFAOYSA-N 0 3 223.291 2.635 20 10 BFCDHN CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929127 583748692 /nfs/dbraw/zinc/74/86/92/583748692.db2.gz XPPGBKGJVCVWAF-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929127 583748694 /nfs/dbraw/zinc/74/86/94/583748694.db2.gz XPPGBKGJVCVWAF-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c([O-])c1 ZINC000896397338 583799618 /nfs/dbraw/zinc/79/96/18/583799618.db2.gz FJGGIFQXBYEPGA-RUZUBIRVSA-N 0 3 231.339 2.835 20 10 BFCDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000896403678 583799836 /nfs/dbraw/zinc/79/98/36/583799836.db2.gz LSODQHJWCVSNFS-WRSRJMLGSA-N 0 3 235.302 2.665 20 10 BFCDHN Cc1cccc(C[NH2+]C[C@@]2(C)CCCCO2)c1[O-] ZINC000896925510 583858227 /nfs/dbraw/zinc/85/82/27/583858227.db2.gz XRLDMUVBVRXOCL-OAHLLOKOSA-N 0 3 249.354 2.749 20 10 BFCDHN C/C=C/C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000858290795 588942341 /nfs/dbraw/zinc/94/23/41/588942341.db2.gz HPHRFNXLPVKJGK-SNAWJCMRSA-N 0 3 205.301 2.675 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897953833 584064060 /nfs/dbraw/zinc/06/40/60/584064060.db2.gz UBWFGWBBGZSPBR-CYZMBNFOSA-N 0 3 217.312 2.670 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000898070919 584082711 /nfs/dbraw/zinc/08/27/11/584082711.db2.gz FVCCWBOVQHITCU-TXEJJXNPSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000898070919 584082712 /nfs/dbraw/zinc/08/27/12/584082712.db2.gz FVCCWBOVQHITCU-TXEJJXNPSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C)c1[O-] ZINC000898226910 584102864 /nfs/dbraw/zinc/10/28/64/584102864.db2.gz PQJSPAZGORZOAW-DGCLKSJQSA-N 0 3 247.338 2.845 20 10 BFCDHN CN(C)c1ccc(CNC/C=C/Cl)cc1F ZINC000898436013 584136250 /nfs/dbraw/zinc/13/62/50/584136250.db2.gz PEYVABHVEBYBLK-ZZXKWVIFSA-N 0 3 242.725 2.734 20 10 BFCDHN C/C=C/C[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000858537555 588963760 /nfs/dbraw/zinc/96/37/60/588963760.db2.gz OLOXRZOUDKIUTR-ORAHPGNNSA-N 0 3 221.300 2.628 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)C2CC2)c([O-])c1 ZINC000903405927 584758446 /nfs/dbraw/zinc/75/84/46/584758446.db2.gz GEGDCWBYYIWHIT-RISCZKNCSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000903407303 584758725 /nfs/dbraw/zinc/75/87/25/584758725.db2.gz NOXYIVBXXDDQKA-SMDDNHRTSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC=CCC1 ZINC000877054653 584889102 /nfs/dbraw/zinc/88/91/02/584889102.db2.gz GZCZIBNYQUUSGO-LBPRGKRZSA-N 0 3 217.312 2.899 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CC=CCC2)c([O-])c1 ZINC000877056796 584889219 /nfs/dbraw/zinc/88/92/19/584889219.db2.gz XATLEMACIKHIEK-ZDUSSCGKSA-N 0 3 217.312 2.899 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC=C(C)CC2)c([O-])c1 ZINC000769447046 584965633 /nfs/dbraw/zinc/96/56/33/584965633.db2.gz SIQIMKVIODAZCO-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC=C(C)CC2)c([O-])c1 ZINC000769447046 584965634 /nfs/dbraw/zinc/96/56/34/584965634.db2.gz SIQIMKVIODAZCO-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000839162586 585098267 /nfs/dbraw/zinc/09/82/67/585098267.db2.gz FJCRJIGXOJDQQK-DGCLKSJQSA-N 0 3 249.354 2.925 20 10 BFCDHN CCOc1ccc(C[NH2+]CC2(C)CC2)c([O-])c1 ZINC000748099341 585187084 /nfs/dbraw/zinc/18/70/84/585187084.db2.gz SKWIGPOCLQIBDQ-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN COC[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000751949982 585239634 /nfs/dbraw/zinc/23/96/34/585239634.db2.gz NMEXMXWIIREZEX-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN COC[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000751949982 585239635 /nfs/dbraw/zinc/23/96/35/585239635.db2.gz NMEXMXWIIREZEX-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CC2)c([O-])c1 ZINC000756768753 585322913 /nfs/dbraw/zinc/32/29/13/585322913.db2.gz GRDQAMRRTOOTHN-YPMHNXCESA-N 0 3 249.354 2.512 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000756840587 585324094 /nfs/dbraw/zinc/32/40/94/585324094.db2.gz YCPLGJCLVUNQBP-JTQLQIEISA-N 0 3 247.338 2.994 20 10 BFCDHN COCC1([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000756849753 585324271 /nfs/dbraw/zinc/32/42/71/585324271.db2.gz DWEOIYPHTYYWTN-NSHDSACASA-N 0 3 235.327 2.530 20 10 BFCDHN COCC1([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000756850775 585324376 /nfs/dbraw/zinc/32/43/76/585324376.db2.gz NKTMZWWUJHZDNU-LLVKDONJSA-N 0 3 235.327 2.530 20 10 BFCDHN CCC[N@H+](Cc1cn[nH]c1)Cc1ccccc1[O-] ZINC000769201488 585550842 /nfs/dbraw/zinc/55/08/42/585550842.db2.gz VEEVGILRCAXPLQ-UHFFFAOYSA-N 0 3 245.326 2.528 20 10 BFCDHN CCC[N@@H+](Cc1cn[nH]c1)Cc1ccccc1[O-] ZINC000769201488 585550843 /nfs/dbraw/zinc/55/08/43/585550843.db2.gz VEEVGILRCAXPLQ-UHFFFAOYSA-N 0 3 245.326 2.528 20 10 BFCDHN Cc1cccc(CN(C)Cc2ccoc2)c1O ZINC000775664610 585682649 /nfs/dbraw/zinc/68/26/49/585682649.db2.gz ZRJSWYYCKDLYBB-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000776255796 585693826 /nfs/dbraw/zinc/69/38/26/585693826.db2.gz IFJLRZVSZPBIKN-TZMCWYRMSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000776255792 585693918 /nfs/dbraw/zinc/69/39/18/585693918.db2.gz IFJLRZVSZPBIKN-JSGCOSHPSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc(CNCc2cccc(F)n2)c1O ZINC000776251786 585694059 /nfs/dbraw/zinc/69/40/59/585694059.db2.gz ALZWRENOQILAIE-UHFFFAOYSA-N 0 3 246.285 2.525 20 10 BFCDHN CCOC[C@H](C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000778199408 585727557 /nfs/dbraw/zinc/72/75/57/585727557.db2.gz XOEIOLXZXBMDGS-LBPRGKRZSA-N 0 3 237.343 2.524 20 10 BFCDHN Cc1cccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783737057 585841455 /nfs/dbraw/zinc/84/14/55/585841455.db2.gz JAUGBVAEWFRYOR-AVGNSLFASA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1cccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783737058 585841605 /nfs/dbraw/zinc/84/16/05/585841605.db2.gz JAUGBVAEWFRYOR-RWMBFGLXSA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@H]2C)cc1C ZINC000784641621 585864933 /nfs/dbraw/zinc/86/49/33/585864933.db2.gz YWGNKWRMIOSCQD-SWLSCSKDSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCC2)c([O-])c1 ZINC000788590795 585927411 /nfs/dbraw/zinc/92/74/11/585927411.db2.gz GVGBEBZYHPYVML-GFCCVEGCSA-N 0 3 249.354 2.575 20 10 BFCDHN C[C@@H]1C[C@@H](C)N1Cc1ccc(N(C)C)c(F)c1 ZINC000793228860 586014769 /nfs/dbraw/zinc/01/47/69/586014769.db2.gz SZLSQYHHJZILIG-GHMZBOCLSA-N 0 3 236.334 2.874 20 10 BFCDHN Cc1cccc(CNCc2cccnc2F)c1O ZINC000793288114 586016217 /nfs/dbraw/zinc/01/62/17/586016217.db2.gz DLRQYASHLJPYNT-UHFFFAOYSA-N 0 3 246.285 2.525 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000793346727 586017153 /nfs/dbraw/zinc/01/71/53/586017153.db2.gz JNLAGKOWBJOAHH-NWDGAFQWSA-N 0 3 249.354 2.927 20 10 BFCDHN CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000793821738 586027524 /nfs/dbraw/zinc/02/75/24/586027524.db2.gz RURXWAXDSFFQMU-AWEZNQCLSA-N 0 3 231.339 2.865 20 10 BFCDHN CC[C@H]1CC[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000793821738 586027525 /nfs/dbraw/zinc/02/75/25/586027525.db2.gz RURXWAXDSFFQMU-AWEZNQCLSA-N 0 3 231.339 2.865 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@H](C)O)c1ccc(C)cc1[O-] ZINC000794811275 586049350 /nfs/dbraw/zinc/04/93/50/586049350.db2.gz WLOFUUWCXAUCSE-WCQYABFASA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794819885 586049414 /nfs/dbraw/zinc/04/94/14/586049414.db2.gz YEVYGFFBSVYFBE-WCQYABFASA-N 0 3 235.327 2.530 20 10 BFCDHN C[C@@H](NCc1cccnc1F)c1ccccc1O ZINC000794833633 586049844 /nfs/dbraw/zinc/04/98/44/586049844.db2.gz HFPWRLNJHWROFG-SNVBAGLBSA-N 0 3 246.285 2.777 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000797905174 586133838 /nfs/dbraw/zinc/13/38/38/586133838.db2.gz IKRBSZIPLMNFDC-KBPBESRZSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)cc1C ZINC000809693548 586513226 /nfs/dbraw/zinc/51/32/26/586513226.db2.gz XPEMBZBQUPXLPX-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCCOC2)cc1C ZINC000809693548 586513227 /nfs/dbraw/zinc/51/32/27/586513227.db2.gz XPEMBZBQUPXLPX-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C1C(C)(C)C1(C)C ZINC000809756897 586518027 /nfs/dbraw/zinc/51/80/27/586518027.db2.gz YTUDGSCDDVYPCZ-UHFFFAOYSA-N 0 3 249.354 2.925 20 10 BFCDHN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2[O-])CCO1 ZINC000817415755 586802757 /nfs/dbraw/zinc/80/27/57/586802757.db2.gz YANFGQRULZIJKV-UONOGXRCSA-N 0 3 249.354 2.748 20 10 BFCDHN C[C@@H](NCCc1ccc(N)cc1)c1ccco1 ZINC000817956159 586850043 /nfs/dbraw/zinc/85/00/43/586850043.db2.gz SGZYODXWSQOODY-LLVKDONJSA-N 0 3 230.311 2.755 20 10 BFCDHN C[C@@H](N)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817973764 586860364 /nfs/dbraw/zinc/86/03/64/586860364.db2.gz WCGXKHIUQKTGJE-MNOVXSKESA-N 0 3 244.338 2.543 20 10 BFCDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000818238487 586881388 /nfs/dbraw/zinc/88/13/88/586881388.db2.gz JNMSMTBQBXPLRS-CLLJXQQHSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1C ZINC000818239108 586881791 /nfs/dbraw/zinc/88/17/91/586881791.db2.gz VLZIJFQONXOIGI-DABQJJPHSA-N 0 3 231.339 2.897 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C[C@@H]1C ZINC000824814429 587288828 /nfs/dbraw/zinc/28/88/28/587288828.db2.gz ABJVBDOPMLMWCB-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C[C@@H]1C ZINC000824814429 587288829 /nfs/dbraw/zinc/28/88/29/587288829.db2.gz ABJVBDOPMLMWCB-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000824914356 587293764 /nfs/dbraw/zinc/29/37/64/587293764.db2.gz QMTVQDZEXMJYCQ-CYBMUJFWSA-N 0 3 249.379 2.720 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824914356 587293765 /nfs/dbraw/zinc/29/37/65/587293765.db2.gz QMTVQDZEXMJYCQ-CYBMUJFWSA-N 0 3 249.379 2.720 20 10 BFCDHN COc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000826538413 587354516 /nfs/dbraw/zinc/35/45/16/587354516.db2.gz DBLATRRRAXGURM-AAEUAGOBSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000826538413 587354517 /nfs/dbraw/zinc/35/45/17/587354517.db2.gz DBLATRRRAXGURM-AAEUAGOBSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc(C[N@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC000827943649 587411744 /nfs/dbraw/zinc/41/17/44/587411744.db2.gz YYASJFFVHIEERX-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC000827943649 587411745 /nfs/dbraw/zinc/41/17/45/587411745.db2.gz YYASJFFVHIEERX-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN CN(C)c1ccc(/C=C/CN(C)C2CC2)cc1 ZINC000835026311 587779105 /nfs/dbraw/zinc/77/91/05/587779105.db2.gz UQKDIXJQWHWBKX-SNAWJCMRSA-N 0 3 230.355 2.860 20 10 BFCDHN CC1CN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054968 587779564 /nfs/dbraw/zinc/77/95/64/587779564.db2.gz TWLOWOLBNQFZTA-PLNGDYQASA-N 0 3 230.355 2.718 20 10 BFCDHN CC1(C)C[C@@H](C[NH2+]Cc2ccccc2[O-])CCO1 ZINC000835061236 587779922 /nfs/dbraw/zinc/77/99/22/587779922.db2.gz XZNPWQKHHVOUMF-LBPRGKRZSA-N 0 3 249.354 2.687 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000840764416 587920570 /nfs/dbraw/zinc/92/05/70/587920570.db2.gz PGIOQCUDGJTTMR-FRRDWIJNSA-N 0 3 247.338 2.537 20 10 BFCDHN COC1([C@@H](C)[NH2+]Cc2cccc(C)c2[O-])CCC1 ZINC000840970899 587933437 /nfs/dbraw/zinc/93/34/37/587933437.db2.gz ZXCCHSLCTCRHHU-GFCCVEGCSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c([O-])c1 ZINC000842928958 588071998 /nfs/dbraw/zinc/07/19/98/588071998.db2.gz LCUROSAFESZGJK-FRRDWIJNSA-N 0 3 249.354 2.837 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]CC2CCC2)c1[O-] ZINC000846144050 588258360 /nfs/dbraw/zinc/25/83/60/588258360.db2.gz KTQBMJAAKFWYAN-SNVBAGLBSA-N 0 3 235.327 2.852 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1[O-] ZINC000846144129 588258576 /nfs/dbraw/zinc/25/85/76/588258576.db2.gz KZQYXOZQEIJTSN-OUAUKWLOSA-N 0 3 235.327 2.707 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]CC2(C)CC2)c1[O-] ZINC000846156233 588258869 /nfs/dbraw/zinc/25/88/69/588258869.db2.gz ZUDPQYDQZASREL-SNVBAGLBSA-N 0 3 235.327 2.852 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1[O-] ZINC000846174793 588259185 /nfs/dbraw/zinc/25/91/85/588259185.db2.gz YYVRFJRCDQMDSO-SCVCMEIPSA-N 0 3 235.327 2.850 20 10 BFCDHN C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000846203503 588259866 /nfs/dbraw/zinc/25/98/66/588259866.db2.gz HDLXWRIXYGPWCT-VXGBXAGGSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccccc1[O-] ZINC000846203497 588259871 /nfs/dbraw/zinc/25/98/71/588259871.db2.gz HDLXWRIXYGPWCT-NWDGAFQWSA-N 0 3 249.354 2.858 20 10 BFCDHN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000848566977 588397991 /nfs/dbraw/zinc/39/79/91/588397991.db2.gz NHANHRWDBRMTGX-JOCQHMNTSA-N 0 3 249.354 2.828 20 10 BFCDHN Cc1ccc(O)c(CN2CC3(CC3(F)F)C2)c1 ZINC000848921883 588420957 /nfs/dbraw/zinc/42/09/57/588420957.db2.gz JXYJBFIYHTYPEK-UHFFFAOYSA-N 0 3 239.265 2.542 20 10 BFCDHN CC[C@@H](COCC1CC1)[NH2+]Cc1ccccc1[O-] ZINC000850348934 588537822 /nfs/dbraw/zinc/53/78/22/588537822.db2.gz ATOKYCMQXFVAJZ-AWEZNQCLSA-N 0 3 249.354 2.687 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC000850391857 588543142 /nfs/dbraw/zinc/54/31/42/588543142.db2.gz CAKNIAGCKOYMDV-NHAGDIPZSA-N 0 3 231.339 2.897 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850393275 588543821 /nfs/dbraw/zinc/54/38/21/588543821.db2.gz RJFFPWALZURIEF-NHAGDIPZSA-N 0 3 247.338 2.679 20 10 BFCDHN C[C@H](CSCCF)[NH2+]Cc1ccccc1[O-] ZINC000850430037 588546150 /nfs/dbraw/zinc/54/61/50/588546150.db2.gz LMVUFJQHFDWCNZ-SNVBAGLBSA-N 0 3 243.347 2.573 20 10 BFCDHN CC(C)(F)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000866408986 589491268 /nfs/dbraw/zinc/49/12/68/589491268.db2.gz GXQDYRLSUSARBS-SNVBAGLBSA-N 0 3 223.291 2.717 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000866501042 589497612 /nfs/dbraw/zinc/49/76/12/589497612.db2.gz XWKCQUBONAYZMU-SZEHBUNVSA-N 0 3 245.244 2.994 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1CCSCC1 ZINC000123555815 589752928 /nfs/dbraw/zinc/75/29/28/589752928.db2.gz ICAIVIRGSKIHII-UHFFFAOYSA-N 0 3 237.368 2.625 20 10 BFCDHN C[C@@H](NCc1ccccc1O)c1ccccn1 ZINC000020123302 590076413 /nfs/dbraw/zinc/07/64/13/590076413.db2.gz AZQUSCMCEZUPJZ-LLVKDONJSA-N 0 3 228.295 2.638 20 10 BFCDHN CC[C@H]([NH2+]CCN1CCCC1)c1ccccc1[O-] ZINC000020126918 590076707 /nfs/dbraw/zinc/07/67/07/590076707.db2.gz HJPKAAPOXTWHLE-AWEZNQCLSA-N 0 3 248.370 2.529 20 10 BFCDHN CCC[N@H+](CC)Cc1c(C)cccc1[O-] ZINC000876512014 590206126 /nfs/dbraw/zinc/20/61/26/590206126.db2.gz YGTUEHQDGAAHQQ-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCC[N@@H+](CC)Cc1c(C)cccc1[O-] ZINC000876512014 590206127 /nfs/dbraw/zinc/20/61/27/590206127.db2.gz YGTUEHQDGAAHQQ-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876525731 590208283 /nfs/dbraw/zinc/20/82/83/590208283.db2.gz JOPRELXAAFJZRO-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876525731 590208285 /nfs/dbraw/zinc/20/82/85/590208285.db2.gz JOPRELXAAFJZRO-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C)cc1O ZINC000876535822 590211404 /nfs/dbraw/zinc/21/14/04/590211404.db2.gz QPRWKGNVHLDAHT-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc(O)c1CN(C)Cc1ccoc1 ZINC000876633440 590224053 /nfs/dbraw/zinc/22/40/53/590224053.db2.gz UWCPEDOIZRTZEI-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCS[C@H](C)C2)c([O-])c1 ZINC000876688698 590230803 /nfs/dbraw/zinc/23/08/03/590230803.db2.gz VRIRHOVKZYHVKX-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@H+]2CCS[C@H](C)C2)c([O-])c1 ZINC000876688698 590230804 /nfs/dbraw/zinc/23/08/04/590230804.db2.gz VRIRHOVKZYHVKX-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN COCC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876693304 590230849 /nfs/dbraw/zinc/23/08/49/590230849.db2.gz SXTNRSKMEZPVKS-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCOC1 ZINC000876696834 590231831 /nfs/dbraw/zinc/23/18/31/590231831.db2.gz ZCUNPQNIPGIXPW-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000876696834 590231833 /nfs/dbraw/zinc/23/18/33/590231833.db2.gz ZCUNPQNIPGIXPW-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@H+](C)CC2CCOCC2)c([O-])c1 ZINC000876722100 590233429 /nfs/dbraw/zinc/23/34/29/590233429.db2.gz WPMSEVNEEZEMQO-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@@H+](C)CC2CCOCC2)c([O-])c1 ZINC000876722100 590233430 /nfs/dbraw/zinc/23/34/30/590233430.db2.gz WPMSEVNEEZEMQO-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCCOC(C)(C)C1 ZINC000876752786 590238208 /nfs/dbraw/zinc/23/82/08/590238208.db2.gz YUPRRFROIQLHSR-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCCOC(C)(C)C1 ZINC000876752786 590238209 /nfs/dbraw/zinc/23/82/09/590238209.db2.gz YUPRRFROIQLHSR-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(O)c1CN(C)Cc1ccc[nH]1 ZINC000876790631 590241534 /nfs/dbraw/zinc/24/15/34/590241534.db2.gz STHZUHCZADBDSI-UHFFFAOYSA-N 0 3 230.311 2.661 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000876799518 590242615 /nfs/dbraw/zinc/24/26/15/590242615.db2.gz GRNUFHNWISGXID-JQWIXIFHSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000876799518 590242616 /nfs/dbraw/zinc/24/26/16/590242616.db2.gz GRNUFHNWISGXID-JQWIXIFHSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000876799517 590242753 /nfs/dbraw/zinc/24/27/53/590242753.db2.gz GRNUFHNWISGXID-CMPLNLGQSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000876799517 590242754 /nfs/dbraw/zinc/24/27/54/590242754.db2.gz GRNUFHNWISGXID-CMPLNLGQSA-N 0 3 219.328 2.931 20 10 BFCDHN CCC(CC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000876886729 590253528 /nfs/dbraw/zinc/25/35/28/590253528.db2.gz ZAZJECJHIWIFSI-UHFFFAOYSA-N 0 3 207.317 2.979 20 10 BFCDHN CCC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000876892697 590255122 /nfs/dbraw/zinc/25/51/22/590255122.db2.gz FHNYYTSLGLQYNV-NSHDSACASA-N 0 3 207.317 2.979 20 10 BFCDHN CCC(C)(C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000876994859 590266635 /nfs/dbraw/zinc/26/66/35/590266635.db2.gz RFYJLZWVKVOTJW-UHFFFAOYSA-N 0 3 207.317 2.979 20 10 BFCDHN Cc1ncc(C[NH2+]Cc2c(C)cccc2[O-])s1 ZINC000877019530 590270037 /nfs/dbraw/zinc/27/00/37/590270037.db2.gz NNZRDZAPIRATKD-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN CSCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877053490 590275346 /nfs/dbraw/zinc/27/53/46/590275346.db2.gz PBFWVXVWGSVZHL-UHFFFAOYSA-N 0 3 225.357 2.543 20 10 BFCDHN CCC1(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877077243 590278610 /nfs/dbraw/zinc/27/86/10/590278610.db2.gz ADMYUOXGCNDHIE-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCSC1 ZINC000877084105 590280539 /nfs/dbraw/zinc/28/05/39/590280539.db2.gz PNQQRBWDJVYSJK-LLVKDONJSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC1CCC1 ZINC000877102579 590283682 /nfs/dbraw/zinc/28/36/82/590283682.db2.gz BFMZOCLBHHZQEB-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877131885 590290404 /nfs/dbraw/zinc/29/04/04/590290404.db2.gz NKMXTLJNQVODQP-IUODEOHRSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c(O)c1 ZINC000877462189 590332440 /nfs/dbraw/zinc/33/24/40/590332440.db2.gz LSXDDGWYKNXQPJ-XQQFMLRXSA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000877486249 590338425 /nfs/dbraw/zinc/33/84/25/590338425.db2.gz GOJGSTNBDXAJKO-QWRGUYRKSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CC(C(C)C)C1 ZINC000877486989 590338869 /nfs/dbraw/zinc/33/88/69/590338869.db2.gz PURKCVMKUOVCIL-UHFFFAOYSA-N 0 3 219.328 2.788 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CCC23CCC3)c([O-])c1 ZINC000877494197 590340786 /nfs/dbraw/zinc/34/07/86/590340786.db2.gz VEQSCUDOPFSYLV-AWEZNQCLSA-N 0 3 247.338 2.823 20 10 BFCDHN CSCCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000877501914 590341425 /nfs/dbraw/zinc/34/14/25/590341425.db2.gz VYHXGTPHSVSCFG-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CSCCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000877501914 590341428 /nfs/dbraw/zinc/34/14/28/590341428.db2.gz VYHXGTPHSVSCFG-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])CCCO1 ZINC000877501865 590341572 /nfs/dbraw/zinc/34/15/72/590341572.db2.gz UMBMTLIPCOUROX-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])CCCO1 ZINC000877501865 590341574 /nfs/dbraw/zinc/34/15/74/590341574.db2.gz UMBMTLIPCOUROX-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H]1C ZINC000877524321 590346380 /nfs/dbraw/zinc/34/63/80/590346380.db2.gz UXMBGAGPYSPKSL-CMPLNLGQSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)c([O-])c1 ZINC000877542942 590351468 /nfs/dbraw/zinc/35/14/68/590351468.db2.gz ZLJPNRGVNJYKDG-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)c([O-])c1 ZINC000877542942 590351470 /nfs/dbraw/zinc/35/14/70/590351470.db2.gz ZLJPNRGVNJYKDG-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCCCF ZINC000877541167 590351641 /nfs/dbraw/zinc/35/16/41/590351641.db2.gz GSGROCNKQQZVHH-UHFFFAOYSA-N 0 3 211.280 2.540 20 10 BFCDHN Cc1ccc(C[NH+]2CC(C3CC3)C2)c([O-])c1 ZINC000877542882 590351995 /nfs/dbraw/zinc/35/19/95/590351995.db2.gz XQWFDTBSXGHXQW-UHFFFAOYSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1ccc(C[NH2+]CCCCF)c([O-])c1 ZINC000877541933 590352208 /nfs/dbraw/zinc/35/22/08/590352208.db2.gz MQPJTLOQVDXZQR-UHFFFAOYSA-N 0 3 211.280 2.540 20 10 BFCDHN CCOCC(C)(C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877550611 590352912 /nfs/dbraw/zinc/35/29/12/590352912.db2.gz JPCCWJFWURXLPK-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CC[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877548248 590354478 /nfs/dbraw/zinc/35/44/78/590354478.db2.gz UCYCZDXXWLIGME-GFCCVEGCSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877548248 590354481 /nfs/dbraw/zinc/35/44/81/590354481.db2.gz UCYCZDXXWLIGME-GFCCVEGCSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877564667 590360915 /nfs/dbraw/zinc/36/09/15/590360915.db2.gz IISZOTWYTXVSII-YPMHNXCESA-N 0 3 219.328 2.836 20 10 BFCDHN Cc1ccncc1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877567550 590361619 /nfs/dbraw/zinc/36/16/19/590361619.db2.gz OJESRSIPIBVWPD-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877574853 590362718 /nfs/dbraw/zinc/36/27/18/590362718.db2.gz XHCOQFLIDKJKBW-UKRRQHHQSA-N 0 3 249.354 2.748 20 10 BFCDHN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877575733 590363617 /nfs/dbraw/zinc/36/36/17/590363617.db2.gz CGLDMCFNWYWSIS-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN COC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877575733 590363619 /nfs/dbraw/zinc/36/36/19/590363619.db2.gz CGLDMCFNWYWSIS-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c([O-])c1 ZINC000877597420 590371359 /nfs/dbraw/zinc/37/13/59/590371359.db2.gz LACMSIBHPXRPJE-UONOGXRCSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1ccc(C[NH2+]C2(C)CC=CC2)c([O-])c1 ZINC000877617507 590375270 /nfs/dbraw/zinc/37/52/70/590375270.db2.gz PVFDWMWQTFSYGQ-UHFFFAOYSA-N 0 3 217.312 2.899 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)c([O-])c1 ZINC000877629910 590377883 /nfs/dbraw/zinc/37/78/83/590377883.db2.gz CHIFTEBIPYQOBF-GFCCVEGCSA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000877632092 590377939 /nfs/dbraw/zinc/37/79/39/590377939.db2.gz ZTOSKLNMUZYMDD-OLZOCXBDSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000877632096 590378350 /nfs/dbraw/zinc/37/83/50/590378350.db2.gz ZTOSKLNMUZYMDD-STQMWFEESA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000877636271 590381070 /nfs/dbraw/zinc/38/10/70/590381070.db2.gz RMDNNIXFLVNERY-RYUDHWBXSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000877636271 590381073 /nfs/dbraw/zinc/38/10/73/590381073.db2.gz RMDNNIXFLVNERY-RYUDHWBXSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1CC(C)C1 ZINC000877646287 590383166 /nfs/dbraw/zinc/38/31/66/590383166.db2.gz FYHKTYQSEIBALA-UHFFFAOYSA-N 0 3 219.328 2.836 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@@H]2CCCOC2)c([O-])c1 ZINC000877648938 590384231 /nfs/dbraw/zinc/38/42/31/590384231.db2.gz WVISGTHJSGWQNA-ZDUSSCGKSA-N 0 3 249.354 2.607 20 10 BFCDHN CCc1cccc(C[NH2+]CC(C)(C)F)c1[O-] ZINC000877663263 590387619 /nfs/dbraw/zinc/38/76/19/590387619.db2.gz MWQINOSZCZSZMX-UHFFFAOYSA-N 0 3 225.307 2.792 20 10 BFCDHN CCc1cccc(CNCC(C)(C)F)c1O ZINC000877663263 590387621 /nfs/dbraw/zinc/38/76/21/590387621.db2.gz MWQINOSZCZSZMX-UHFFFAOYSA-N 0 3 225.307 2.792 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000877700972 590394600 /nfs/dbraw/zinc/39/46/00/590394600.db2.gz XKMSFDYZRAHZFK-XYPYZODXSA-N 0 3 241.331 2.515 20 10 BFCDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000877703219 590395531 /nfs/dbraw/zinc/39/55/31/590395531.db2.gz WMOQZFMHWJBUJE-LMKPVCQUSA-N 0 3 229.323 2.754 20 10 BFCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000877703219 590395532 /nfs/dbraw/zinc/39/55/32/590395532.db2.gz WMOQZFMHWJBUJE-LMKPVCQUSA-N 0 3 229.323 2.754 20 10 BFCDHN CCC[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702898 590396499 /nfs/dbraw/zinc/39/64/99/590396499.db2.gz JHDPVRZFTJWJNN-GFCCVEGCSA-N 0 3 235.327 2.523 20 10 BFCDHN CCC[C@H](C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702898 590396503 /nfs/dbraw/zinc/39/65/03/590396503.db2.gz JHDPVRZFTJWJNN-GFCCVEGCSA-N 0 3 235.327 2.523 20 10 BFCDHN CC[C@@H](C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877702573 590396585 /nfs/dbraw/zinc/39/65/85/590396585.db2.gz BWTSVIXSXAFQQP-SNVBAGLBSA-N 0 3 205.301 2.754 20 10 BFCDHN CC[C@@H](C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877702573 590396587 /nfs/dbraw/zinc/39/65/87/590396587.db2.gz BWTSVIXSXAFQQP-SNVBAGLBSA-N 0 3 205.301 2.754 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1[O-] ZINC000877755560 590417302 /nfs/dbraw/zinc/41/73/02/590417302.db2.gz FOZBGNCVAOUENY-UPJWGTAASA-N 0 3 248.370 2.526 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000877755947 590417443 /nfs/dbraw/zinc/41/74/43/590417443.db2.gz URCGQMDFIFNNHE-PRULPYPASA-N 0 3 235.327 2.609 20 10 BFCDHN C[C@@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757179 590417756 /nfs/dbraw/zinc/41/77/56/590417756.db2.gz LRWKRPJDOHIFBZ-RWMBFGLXSA-N 0 3 249.354 2.858 20 10 BFCDHN CCc1nocc1CN[C@@H](C)c1ccccc1O ZINC000877757990 590418004 /nfs/dbraw/zinc/41/80/04/590418004.db2.gz CAJDPBTVKABSAT-JTQLQIEISA-N 0 3 246.310 2.793 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1[O-] ZINC000877755846 590418212 /nfs/dbraw/zinc/41/82/12/590418212.db2.gz ONNWCARMJGEYKP-AXFHLTTASA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000877757115 590418247 /nfs/dbraw/zinc/41/82/47/590418247.db2.gz HBQISUXOPIGBMH-RWMBFGLXSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000877755946 590418278 /nfs/dbraw/zinc/41/82/78/590418278.db2.gz URCGQMDFIFNNHE-HNCHTBHHSA-N 0 3 235.327 2.609 20 10 BFCDHN CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CO1 ZINC000877758342 590418369 /nfs/dbraw/zinc/41/83/69/590418369.db2.gz UPKAOULDGYYTFF-SRVKXCTJSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1ccc(C[NH2+]C2(C)CC(F)(F)C2)c([O-])c1 ZINC000877833352 590429852 /nfs/dbraw/zinc/42/98/52/590429852.db2.gz GSKOXTOWFONLIE-UHFFFAOYSA-N 0 3 241.281 2.978 20 10 BFCDHN C=C/C=C\CC[N@@H+](C)Cc1ccccc1[O-] ZINC000878242454 590528719 /nfs/dbraw/zinc/52/87/19/590528719.db2.gz RPTRUOFIGICRGO-PLNGDYQASA-N 0 3 217.312 2.956 20 10 BFCDHN C=C/C=C\CC[N@H+](C)Cc1ccccc1[O-] ZINC000878242454 590528720 /nfs/dbraw/zinc/52/87/20/590528720.db2.gz RPTRUOFIGICRGO-PLNGDYQASA-N 0 3 217.312 2.956 20 10 BFCDHN C[C@@H](N[C@@H](C)c1cnccn1)c1ccccc1O ZINC000879649500 590841328 /nfs/dbraw/zinc/84/13/28/590841328.db2.gz VDARQJCAKQRWMD-MNOVXSKESA-N 0 3 243.310 2.594 20 10 BFCDHN C[C@H]([NH2+]CCc1cncs1)c1ccccc1[O-] ZINC000879650190 590841799 /nfs/dbraw/zinc/84/17/99/590841799.db2.gz NPGQIWALZORIAE-JTQLQIEISA-N 0 3 248.351 2.742 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000128445750 591057315 /nfs/dbraw/zinc/05/73/15/591057315.db2.gz GICRDPIIMIRCEP-DGCLKSJQSA-N 0 3 219.328 2.979 20 10 BFCDHN CC[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132516255 591714281 /nfs/dbraw/zinc/71/42/81/591714281.db2.gz LULGDNPGNDTXAX-SNVBAGLBSA-N 0 3 223.316 2.631 20 10 BFCDHN CC[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132516255 591714282 /nfs/dbraw/zinc/71/42/82/591714282.db2.gz LULGDNPGNDTXAX-SNVBAGLBSA-N 0 3 223.316 2.631 20 10 BFCDHN CCOc1cccc(C[NH2+]C[C@@H](C)C2CC2)c1[O-] ZINC000134229720 591903855 /nfs/dbraw/zinc/90/38/55/591903855.db2.gz AOYBKVSHIDXASA-LLVKDONJSA-N 0 3 249.354 2.927 20 10 BFCDHN C[C@H]([NH2+]CC1(CO)CCCC1)c1ccccc1[O-] ZINC000135063963 591981395 /nfs/dbraw/zinc/98/13/95/591981395.db2.gz ULEADZOQUOHMBO-LBPRGKRZSA-N 0 3 249.354 2.596 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000135749709 592044492 /nfs/dbraw/zinc/04/44/92/592044492.db2.gz BIAKNUNLXJEFIF-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000135749709 592044495 /nfs/dbraw/zinc/04/44/95/592044495.db2.gz BIAKNUNLXJEFIF-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)O)c([O-])c1 ZINC000228034784 635456057 /nfs/dbraw/zinc/45/60/57/635456057.db2.gz VTCDVRPPSUXWHN-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN C[C@H]([NH2+]C/C=C\Cl)c1ccccc1[O-] ZINC000308645367 631464104 /nfs/dbraw/zinc/46/41/04/631464104.db2.gz HGBAYNKZCJDCQL-WYDVEAGSSA-N 0 3 211.692 2.795 20 10 BFCDHN C[C@H]([NH2+]C/C=C/Cl)c1ccccc1[O-] ZINC000308645365 631464414 /nfs/dbraw/zinc/46/44/14/631464414.db2.gz HGBAYNKZCJDCQL-IYNCYZAOSA-N 0 3 211.692 2.795 20 10 BFCDHN C[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1[O-] ZINC000308689789 631524148 /nfs/dbraw/zinc/52/41/48/631524148.db2.gz GFZBKHCZYQONMV-NSHDSACASA-N 0 3 237.343 2.858 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000309427455 632047209 /nfs/dbraw/zinc/04/72/09/632047209.db2.gz LDOLFFOAHQXFAB-AUTRQRHGSA-N 0 3 223.291 2.980 20 10 BFCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000251011216 635702368 /nfs/dbraw/zinc/70/23/68/635702368.db2.gz HFGABSHTNCPZAY-UXIGCNINSA-N 0 3 249.354 2.919 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CC1(C)C ZINC000309810310 632670824 /nfs/dbraw/zinc/67/08/24/632670824.db2.gz TZVLBZXHXKOFMY-ZYHUDNBSSA-N 0 3 219.328 2.916 20 10 BFCDHN C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1[O-] ZINC000179558608 632743335 /nfs/dbraw/zinc/74/33/35/632743335.db2.gz SBXPFHNUEOZIOC-JTQLQIEISA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1[O-] ZINC000179558608 632743342 /nfs/dbraw/zinc/74/33/42/632743342.db2.gz SBXPFHNUEOZIOC-JTQLQIEISA-N 0 3 205.301 2.623 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccccc1[O-] ZINC000310583072 632761106 /nfs/dbraw/zinc/76/11/06/632761106.db2.gz SEIDQIWNNKXKNB-WCQYABFASA-N 0 3 237.343 2.858 20 10 BFCDHN COc1cccc(CNCc2ccoc2C)c1O ZINC000725848799 632863472 /nfs/dbraw/zinc/86/34/72/632863472.db2.gz IYZBLXGELPAGRF-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000309427459 633058393 /nfs/dbraw/zinc/05/83/93/633058393.db2.gz LDOLFFOAHQXFAB-HOTUBEGUSA-N 0 3 223.291 2.980 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1[O-] ZINC000163986939 633067943 /nfs/dbraw/zinc/06/79/43/633067943.db2.gz AMOGWOBMOBGJQZ-MNOVXSKESA-N 0 3 237.368 2.938 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1[O-] ZINC000163986709 633067997 /nfs/dbraw/zinc/06/79/97/633067997.db2.gz AMOGWOBMOBGJQZ-GHMZBOCLSA-N 0 3 237.368 2.938 20 10 BFCDHN CC(C)[C@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000167193632 633124858 /nfs/dbraw/zinc/12/48/58/633124858.db2.gz OMQRSLAPTVFDJI-AWEZNQCLSA-N 0 3 219.328 2.916 20 10 BFCDHN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1[O-] ZINC000309579156 633960069 /nfs/dbraw/zinc/96/00/69/633960069.db2.gz PVXXIYGJWZOBRI-NHCYSSNCSA-N 0 3 237.368 2.794 20 10 BFCDHN COC/C(C)=C/C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000931554040 640270723 /nfs/dbraw/zinc/27/07/23/640270723.db2.gz KHRWXMUILVBKDO-OBIHZWKSSA-N 0 3 235.327 2.636 20 10 BFCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000224425753 640618897 /nfs/dbraw/zinc/61/88/97/640618897.db2.gz DFHZNCNFDMHHOU-ZKYQVNSYSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@H]([NH2+]CC1(CCO)CC1)c1ccccc1[O-] ZINC000157444692 640686135 /nfs/dbraw/zinc/68/61/35/640686135.db2.gz KIVQHPCJVQCYII-ZDUSSCGKSA-N 0 3 249.354 2.596 20 10 BFCDHN CC[C@@H]([NH2+]CC1(CCO)CC1)c1ccccc1[O-] ZINC000157444851 640686363 /nfs/dbraw/zinc/68/63/63/640686363.db2.gz KIVQHPCJVQCYII-CYBMUJFWSA-N 0 3 249.354 2.596 20 10 BFCDHN Cc1cccc(CNCc2cc(F)ccc2O)n1 ZINC000226584991 640778269 /nfs/dbraw/zinc/77/82/69/640778269.db2.gz CZGOGQLUZHYIRR-UHFFFAOYSA-N 0 3 246.285 2.525 20 10 BFCDHN CCC[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582728 640778330 /nfs/dbraw/zinc/77/83/30/640778330.db2.gz QJWNDZXKNZVOLS-VIFPVBQESA-N 0 3 211.280 2.810 20 10 BFCDHN CC(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610622 640779353 /nfs/dbraw/zinc/77/93/53/640779353.db2.gz AOLJXJUFNCUNMP-SNVBAGLBSA-N 0 3 225.307 2.913 20 10 BFCDHN C[C@@H]([NH2+]CCC1CC1)c1cc(F)ccc1[O-] ZINC000087111432 640845934 /nfs/dbraw/zinc/84/59/34/640845934.db2.gz VIPRKFFLXUUESW-SECBINFHSA-N 0 3 223.291 2.982 20 10 BFCDHN CSCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111412 640846155 /nfs/dbraw/zinc/84/61/55/640846155.db2.gz AICOGPNYLQEUSX-MRVPVSSYSA-N 0 3 229.320 2.545 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000228803155 640896813 /nfs/dbraw/zinc/89/68/13/640896813.db2.gz DHGPQDPIVSYWDP-TUAOUCFPSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccccc1[O-] ZINC000087667551 640963598 /nfs/dbraw/zinc/96/35/98/640963598.db2.gz YMHFCQUMVGRTHP-GHMZBOCLSA-N 0 3 237.368 2.938 20 10 BFCDHN C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000230657461 641081705 /nfs/dbraw/zinc/08/17/05/641081705.db2.gz YKBXOZBFZYFLFP-NEPJUHHUSA-N 0 3 219.328 2.918 20 10 BFCDHN C[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1[O-] ZINC000063098690 641130926 /nfs/dbraw/zinc/13/09/26/641130926.db2.gz HJVZQERJGMWAKS-MRVPVSSYSA-N 0 3 233.233 2.995 20 10 BFCDHN Cc1cc(O)c(CNCc2ccco2)cc1C ZINC000174238963 641257781 /nfs/dbraw/zinc/25/77/81/641257781.db2.gz DCTWEDHGXMFJQU-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN Cc1cc(O)c(CNCc2ccoc2)cc1C ZINC000174298909 641268111 /nfs/dbraw/zinc/26/81/11/641268111.db2.gz BLDIGPRGWZFUHT-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN C[C@H]([NH2+]CCC(F)(F)F)c1ccccc1[O-] ZINC000063098689 642310825 /nfs/dbraw/zinc/31/08/25/642310825.db2.gz HJVZQERJGMWAKS-QMMMGPOBSA-N 0 3 233.233 2.995 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccccc1[O-] ZINC000306097520 642722412 /nfs/dbraw/zinc/72/24/12/642722412.db2.gz NJOTUXYCQOQITI-RWMBFGLXSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccccc1[O-] ZINC000306097524 642722609 /nfs/dbraw/zinc/72/26/09/642722609.db2.gz NJOTUXYCQOQITI-YNEHKIRRSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179933814 642754411 /nfs/dbraw/zinc/75/44/11/642754411.db2.gz XVFOTHIWNGFTIA-VIFPVBQESA-N 0 3 211.280 2.762 20 10 BFCDHN CC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179933814 642754418 /nfs/dbraw/zinc/75/44/18/642754418.db2.gz XVFOTHIWNGFTIA-VIFPVBQESA-N 0 3 211.280 2.762 20 10 BFCDHN CC[C@@H]([NH2+]CC1(O)CCCC1)c1ccccc1[O-] ZINC000087016692 644473676 /nfs/dbraw/zinc/47/36/76/644473676.db2.gz KEAYNPSDZHDIBB-CYBMUJFWSA-N 0 3 249.354 2.738 20 10 BFCDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@H](C)O1 ZINC000092487501 644660766 /nfs/dbraw/zinc/66/07/66/644660766.db2.gz DLPMWKPUQPLWOE-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CCC[C@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000927019835 645517081 /nfs/dbraw/zinc/51/70/81/645517081.db2.gz UUTMFFXNZXZPGQ-RYUDHWBXSA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000877650455 645806773 /nfs/dbraw/zinc/80/67/73/645806773.db2.gz RGIVRVPNWDCPSL-RWMBFGLXSA-N 0 3 231.339 2.979 20 10 BFCDHN C[C@@H](NCc1ccccc1O)c1ccns1 ZINC000716032993 712547223 /nfs/dbraw/zinc/54/72/23/712547223.db2.gz HIMSNSIABQPCNL-SECBINFHSA-N 0 3 234.324 2.700 20 10 BFCDHN C[C@@H]([NH2+]CCCCF)c1ccccc1[O-] ZINC000380074950 712684828 /nfs/dbraw/zinc/68/48/28/712684828.db2.gz FBUAPOYOOJCIIA-SNVBAGLBSA-N 0 3 211.280 2.793 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC(F)(F)F)CC2 ZINC000383862162 712718745 /nfs/dbraw/zinc/71/87/45/712718745.db2.gz OCIRXJBASISBRA-VIFPVBQESA-N 0 3 245.244 2.922 20 10 BFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCF)c1[O-] ZINC000380319111 712883435 /nfs/dbraw/zinc/88/34/35/712883435.db2.gz JWXHCARHGCPEHP-MRVPVSSYSA-N 0 3 231.698 2.974 20 10 BFCDHN C[C@H]1SCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000381632704 710664474 /nfs/dbraw/zinc/66/44/74/710664474.db2.gz RYCZXKJKUXULRP-LDYMZIIASA-N 0 3 241.331 2.515 20 10 BFCDHN C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1[O-] ZINC000396553459 711354078 /nfs/dbraw/zinc/35/40/78/711354078.db2.gz UIMARZXNBPRQFT-QWRGUYRKSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)O1 ZINC000398237518 711405340 /nfs/dbraw/zinc/40/53/40/711405340.db2.gz XDUCBQMLBHQMGE-WXHSDQCUSA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@@H](O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000398551872 711411869 /nfs/dbraw/zinc/41/18/69/711411869.db2.gz GVSJCVDMXDFFFN-VXGBXAGGSA-N 0 3 237.343 2.594 20 10 BFCDHN COC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)C ZINC000386521987 711031995 /nfs/dbraw/zinc/03/19/95/711031995.db2.gz NSMZBICEOBNADM-QWHCGFSZSA-N 0 3 249.354 2.640 20 10 BFCDHN COc1ccc(C[NH2+]C2CC(C)(C)C2)c([O-])c1 ZINC000395192959 711204207 /nfs/dbraw/zinc/20/42/07/711204207.db2.gz ZBUXULUMXZWXSZ-UHFFFAOYSA-N 0 3 235.327 2.679 20 10 BFCDHN CC[C@H]([NH2+]CC1=CCOCC1)c1ccccc1[O-] ZINC000397712732 711389012 /nfs/dbraw/zinc/38/90/12/711389012.db2.gz QEWQRZAVXWCLKY-AWEZNQCLSA-N 0 3 247.338 2.780 20 10 BFCDHN C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000397793561 711391399 /nfs/dbraw/zinc/39/13/99/711391399.db2.gz ATEJFFINCRDFAE-ADEWGFFLSA-N 0 3 249.379 2.721 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CS1 ZINC000397870284 711394532 /nfs/dbraw/zinc/39/45/32/711394532.db2.gz SJYGOXMAKVZVCU-USWWRNFRSA-N 0 3 249.379 2.863 20 10 BFCDHN Cc1nocc1CN[C@H](C)c1ccccc1O ZINC000397916658 711396176 /nfs/dbraw/zinc/39/61/76/711396176.db2.gz HKNTTXJKHIKSAO-SNVBAGLBSA-N 0 3 232.283 2.539 20 10 BFCDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1[O-] ZINC000399569600 711432302 /nfs/dbraw/zinc/43/23/02/711432302.db2.gz OGIAAHYUDFSEFB-GRYCIOLGSA-N 0 3 219.328 2.869 20 10 BFCDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1[O-] ZINC000399569600 711432304 /nfs/dbraw/zinc/43/23/04/711432304.db2.gz OGIAAHYUDFSEFB-GRYCIOLGSA-N 0 3 219.328 2.869 20 10 BFCDHN C[C@@H]([NH2+]CCN1CCCCC1)c1ccccc1[O-] ZINC000049574588 711449709 /nfs/dbraw/zinc/44/97/09/711449709.db2.gz TXLHATKYSAYDTO-CYBMUJFWSA-N 0 3 248.370 2.529 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CCC1CC=CC1 ZINC000724203264 711568981 /nfs/dbraw/zinc/56/89/81/711568981.db2.gz QSXWFUWVCJPAIR-UHFFFAOYSA-N 0 3 235.302 2.977 20 10 BFCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000724654109 711605900 /nfs/dbraw/zinc/60/59/00/711605900.db2.gz OBEMWBGRSHAQBM-XQHKEYJVSA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@H](NCCc1ccc(N)cc1)c1nccs1 ZINC000080310348 711775713 /nfs/dbraw/zinc/77/57/13/711775713.db2.gz UCVQOMSROSJZQG-JTQLQIEISA-N 0 3 247.367 2.619 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000185460364 711906384 /nfs/dbraw/zinc/90/63/84/711906384.db2.gz YHEPYJKPLQDWST-MDHDOXDCSA-N 0 3 247.338 2.671 20 10 BFCDHN CC1CC(C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000700820288 712007541 /nfs/dbraw/zinc/00/75/41/712007541.db2.gz NOAQRRGEPXMVDT-UHFFFAOYSA-N 0 3 223.291 2.667 20 10 BFCDHN CC1(C)C[C@]1(C)[NH2+]Cc1ccccc1[O-] ZINC000702030431 712036412 /nfs/dbraw/zinc/03/64/12/712036412.db2.gz NDZRFKPPHLUJBZ-ZDUSSCGKSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@@H](F)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000702619539 712056597 /nfs/dbraw/zinc/05/65/97/712056597.db2.gz OWVNMZSLMYZIJQ-MWLCHTKSSA-N 0 3 223.291 2.717 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CCCC23CC3)c([O-])c1 ZINC000706955701 712163690 /nfs/dbraw/zinc/16/36/90/712163690.db2.gz ONKSIZMQJPNALS-CQSZACIVSA-N 0 3 247.338 2.823 20 10 BFCDHN Cc1ccc(O)c(CN2CCO[C@@H](C(C)C)C2)c1 ZINC000709021715 712206238 /nfs/dbraw/zinc/20/62/38/712206238.db2.gz RYXLOULJYZMKKO-OAHLLOKOSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c([O-])c1 ZINC000710163085 712247020 /nfs/dbraw/zinc/24/70/20/712247020.db2.gz WGNJTXAVQLOGOE-RYUDHWBXSA-N 0 3 249.354 2.512 20 10 BFCDHN CCOc1ccc(C[NH2+][C@H](C)CC)c([O-])c1 ZINC000390485111 712419014 /nfs/dbraw/zinc/41/90/14/712419014.db2.gz OJRPKRURQVLBPU-SNVBAGLBSA-N 0 3 223.316 2.679 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CC13CC3)CC2 ZINC000715302752 712515844 /nfs/dbraw/zinc/51/58/44/712515844.db2.gz KGUMYIFVNCQLNM-PWSUYJOCSA-N 0 3 215.296 2.522 20 10 BFCDHN CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccccc1[O-] ZINC000716461795 712563109 /nfs/dbraw/zinc/56/31/09/712563109.db2.gz QIHQARNXBWSSPO-CYBMUJFWSA-N 0 3 245.326 2.665 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1[O-] ZINC000379960846 712636941 /nfs/dbraw/zinc/63/69/41/712636941.db2.gz BRJNZRAQNKXLEW-NEPJUHHUSA-N 0 3 233.311 2.736 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCS1)CC2 ZINC000380170121 712705218 /nfs/dbraw/zinc/70/52/18/712705218.db2.gz WSJFXQQGFUGQIG-VXGBXAGGSA-N 0 3 249.379 2.865 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1CCC=CCC1 ZINC000718079056 712741372 /nfs/dbraw/zinc/74/13/72/712741372.db2.gz RCTXIBKJGSLIRJ-UHFFFAOYSA-N 0 3 217.312 2.981 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(F)ccc1[O-] ZINC000698279321 965169480 /nfs/dbraw/zinc/16/94/80/965169480.db2.gz VDJRHPCBKRTVKG-MWLCHTKSSA-N 0 3 221.275 2.901 20 10 BFCDHN CC[N@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135617 966642379 /nfs/dbraw/zinc/64/23/79/966642379.db2.gz KCHQTGJIJRZGDD-UHFFFAOYSA-N 0 3 233.233 2.863 20 10 BFCDHN CC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135617 966642400 /nfs/dbraw/zinc/64/24/00/966642400.db2.gz KCHQTGJIJRZGDD-UHFFFAOYSA-N 0 3 233.233 2.863 20 10 BFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C2(CC2)C1 ZINC001203558447 967007931 /nfs/dbraw/zinc/00/79/31/967007931.db2.gz HRLFOZRADSIFBV-NSHDSACASA-N 0 3 217.312 2.767 20 10 BFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C2(CC2)C1 ZINC001203558447 967007938 /nfs/dbraw/zinc/00/79/38/967007938.db2.gz HRLFOZRADSIFBV-NSHDSACASA-N 0 3 217.312 2.767 20 10 BFCDHN CCC[N@H+](C)Cc1ccc(CC)cc1[O-] ZINC001236782478 979729971 /nfs/dbraw/zinc/72/99/71/979729971.db2.gz BPAMGICANHVWMF-UHFFFAOYSA-N 0 3 207.317 2.796 20 10 BFCDHN CCC[N@@H+](C)Cc1ccc(CC)cc1[O-] ZINC001236782478 979729984 /nfs/dbraw/zinc/72/99/84/979729984.db2.gz BPAMGICANHVWMF-UHFFFAOYSA-N 0 3 207.317 2.796 20 10 BFCDHN CCOCC[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001172429539 974701590 /nfs/dbraw/zinc/70/15/90/974701590.db2.gz AKWZANMXPZWGIE-LBPRGKRZSA-N 0 3 237.343 2.639 20 10 BFCDHN CCOCC[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001172429539 974701595 /nfs/dbraw/zinc/70/15/95/974701595.db2.gz AKWZANMXPZWGIE-LBPRGKRZSA-N 0 3 237.343 2.639 20 10 BFCDHN CC[C@@H]1CN(Cc2cccc(C)c2O)[C@@H](C)CO1 ZINC000403847874 971076156 /nfs/dbraw/zinc/07/61/56/971076156.db2.gz FPUXDTVOTSECEF-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(CN2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001140947798 960750851 /nfs/dbraw/zinc/75/08/51/960750851.db2.gz GASMXOZNQKXSRZ-LBPRGKRZSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])c1 ZINC001140957798 960756301 /nfs/dbraw/zinc/75/63/01/960756301.db2.gz OBJDODROYKJUPQ-AVGNSLFASA-N 0 3 235.302 2.633 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])c1 ZINC001140957798 960756316 /nfs/dbraw/zinc/75/63/16/960756316.db2.gz OBJDODROYKJUPQ-AVGNSLFASA-N 0 3 235.302 2.633 20 10 BFCDHN Cc1ccc(CN2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001140950968 960762099 /nfs/dbraw/zinc/76/20/99/960762099.db2.gz RDRIDUIOMQZVJM-CQSZACIVSA-N 0 3 249.354 2.557 20 10 BFCDHN CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950760 960762754 /nfs/dbraw/zinc/76/27/54/960762754.db2.gz HACKFQGNMZHAJQ-ZDUSSCGKSA-N 0 3 247.338 2.502 20 10 BFCDHN CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950760 960762770 /nfs/dbraw/zinc/76/27/70/960762770.db2.gz HACKFQGNMZHAJQ-ZDUSSCGKSA-N 0 3 247.338 2.502 20 10 BFCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CCC1 ZINC000692872490 961013802 /nfs/dbraw/zinc/01/38/02/961013802.db2.gz PYKPCUIOJCLULT-NHYWBVRUSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@H]1C[C@H]2C[C@H]2C1)c1ccccc1[O-] ZINC001167901887 961634622 /nfs/dbraw/zinc/63/46/22/961634622.db2.gz IBNKCDPJUQCARX-WYUUTHIRSA-N 0 3 217.312 2.841 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCO[C@H](C)C1 ZINC001168136490 963834144 /nfs/dbraw/zinc/83/41/44/963834144.db2.gz KHEZCUXAVQOMJE-OCCSQVGLSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCO[C@H](C)C1 ZINC001168136490 963834149 /nfs/dbraw/zinc/83/41/49/963834149.db2.gz KHEZCUXAVQOMJE-OCCSQVGLSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1cc(C)nc(NCc2ccc(O)c(O)c2)c1 ZINC001158994008 963969810 /nfs/dbraw/zinc/96/98/10/963969810.db2.gz BPMUJUVVMPMXFP-UHFFFAOYSA-N 0 3 244.294 2.722 20 10 BFCDHN CCOc1cccc(CN2CC3(CCC3)C2)c1O ZINC001203602823 966702159 /nfs/dbraw/zinc/70/21/59/966702159.db2.gz AMEIOFZFVWOBPB-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN CCC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875294 966806697 /nfs/dbraw/zinc/80/66/97/966806697.db2.gz KJCYDYFQRRDTQX-UHFFFAOYSA-N 0 3 235.327 2.720 20 10 BFCDHN C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(O)cc1[O-] ZINC001204272255 966952413 /nfs/dbraw/zinc/95/24/13/966952413.db2.gz KTAQOQNOFZCCOB-QWRGUYRKSA-N 0 3 235.327 2.861 20 10 BFCDHN C[C@@H]([NH2+]CC1(C)CC1)c1ccccc1[O-] ZINC000228797798 967748447 /nfs/dbraw/zinc/74/84/47/967748447.db2.gz AWQFOXPOPLDZLS-SNVBAGLBSA-N 0 3 205.301 2.843 20 10 BFCDHN CCCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001252111366 968597037 /nfs/dbraw/zinc/59/70/37/968597037.db2.gz STAYKAXDRHKMIQ-NWDGAFQWSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]1C ZINC001209430010 969497451 /nfs/dbraw/zinc/49/74/51/969497451.db2.gz IUCRTDOZBVFWFQ-WCQYABFASA-N 0 3 219.328 2.870 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]1C ZINC001209430010 969497456 /nfs/dbraw/zinc/49/74/56/969497456.db2.gz IUCRTDOZBVFWFQ-WCQYABFASA-N 0 3 219.328 2.870 20 10 BFCDHN CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235447 970614010 /nfs/dbraw/zinc/61/40/10/970614010.db2.gz MIENZFXUFYRZBM-UONOGXRCSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235447 970614015 /nfs/dbraw/zinc/61/40/15/970614015.db2.gz MIENZFXUFYRZBM-UONOGXRCSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)c1ccccc1[O-] ZINC001172232608 974474192 /nfs/dbraw/zinc/47/41/92/974474192.db2.gz ILVMEMKMCWTAQF-WODVXLOZSA-N 0 3 245.322 2.529 20 10 BFCDHN CCOCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172412945 974680715 /nfs/dbraw/zinc/68/07/15/974680715.db2.gz XTYMIKQILPCLGY-NWDGAFQWSA-N 0 3 237.343 2.858 20 10 BFCDHN CO[C@H]1CCC[C@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001172947555 975003870 /nfs/dbraw/zinc/00/38/70/975003870.db2.gz ZTAOOGCJEUWGPJ-KBPBESRZSA-N 0 3 249.354 2.782 20 10 BFCDHN CO[C@H]1CCC[C@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001172947555 975003875 /nfs/dbraw/zinc/00/38/75/975003875.db2.gz ZTAOOGCJEUWGPJ-KBPBESRZSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1cccc(CN2CCCC(=O)[C@H](C)C2)c1O ZINC001231590974 977643859 /nfs/dbraw/zinc/64/38/59/977643859.db2.gz MQDMPOZCOBUODT-GFCCVEGCSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1cc(C)c(CN2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC001231851086 977767330 /nfs/dbraw/zinc/76/73/30/977767330.db2.gz ZOMIEHCAELOTQM-QWHCGFSZSA-N 0 3 249.354 2.618 20 10 BFCDHN COc1ccc2ccc([O-])c(C[NH+](C)C)c2c1 ZINC001234518009 978852486 /nfs/dbraw/zinc/85/24/86/978852486.db2.gz AFBKLVYGFYSANF-UHFFFAOYSA-N 0 3 231.295 2.616 20 10 BFCDHN C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])[C@@H](C)C1 ZINC001204279168 978944671 /nfs/dbraw/zinc/94/46/71/978944671.db2.gz RZXWBVZXTYYDSS-MNOVXSKESA-N 0 3 235.327 2.718 20 10 BFCDHN C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])[C@@H](C)C1 ZINC001204279168 978944677 /nfs/dbraw/zinc/94/46/77/978944677.db2.gz RZXWBVZXTYYDSS-MNOVXSKESA-N 0 3 235.327 2.718 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2COC)c([O-])c1 ZINC001236783992 979732160 /nfs/dbraw/zinc/73/21/60/979732160.db2.gz QVGMLDRYSYRBJJ-AWEZNQCLSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@H]2COC)c([O-])c1 ZINC001236783992 979732167 /nfs/dbraw/zinc/73/21/67/979732167.db2.gz QVGMLDRYSYRBJJ-AWEZNQCLSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(CN2CCC[C@H]2C(C)=O)c(O)c1 ZINC001236789586 979734716 /nfs/dbraw/zinc/73/47/16/979734716.db2.gz ZHLTXYGPZFGRBU-AWEZNQCLSA-N 0 3 247.338 2.508 20 10 BFCDHN CC[C@H](C)[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236807000 979737720 /nfs/dbraw/zinc/73/77/20/979737720.db2.gz BJXSEXRWVHMASN-NSHDSACASA-N 0 3 237.343 2.940 20 10 BFCDHN CC[C@H](C)[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236807000 979737729 /nfs/dbraw/zinc/73/77/29/979737729.db2.gz BJXSEXRWVHMASN-NSHDSACASA-N 0 3 237.343 2.940 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001236793540 979740951 /nfs/dbraw/zinc/74/09/51/979740951.db2.gz YIXCPYRYYBMBJT-OCCSQVGLSA-N 0 3 231.339 2.939 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001236793540 979740959 /nfs/dbraw/zinc/74/09/59/979740959.db2.gz YIXCPYRYYBMBJT-OCCSQVGLSA-N 0 3 231.339 2.939 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001236811615 979744424 /nfs/dbraw/zinc/74/44/24/979744424.db2.gz SXWSVYOJOGFPGV-NWDGAFQWSA-N 0 3 247.338 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001236811615 979744433 /nfs/dbraw/zinc/74/44/33/979744433.db2.gz SXWSVYOJOGFPGV-NWDGAFQWSA-N 0 3 247.338 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)C(C)(C)C)c([O-])c1 ZINC001236813374 979745106 /nfs/dbraw/zinc/74/51/06/979745106.db2.gz JGTWRSPPLIWSMR-UHFFFAOYSA-N 0 3 237.343 2.940 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)C(C)(C)C)c([O-])c1 ZINC001236813374 979745112 /nfs/dbraw/zinc/74/51/12/979745112.db2.gz JGTWRSPPLIWSMR-UHFFFAOYSA-N 0 3 237.343 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)CC2CC2)c([O-])c1 ZINC001236817032 979745191 /nfs/dbraw/zinc/74/51/91/979745191.db2.gz BSBKPMWCZJSIEG-UHFFFAOYSA-N 0 3 235.327 2.551 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)CC2CC2)c([O-])c1 ZINC001236817032 979745198 /nfs/dbraw/zinc/74/51/98/979745198.db2.gz BSBKPMWCZJSIEG-UHFFFAOYSA-N 0 3 235.327 2.551 20 10 BFCDHN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C1CC1 ZINC001236817805 979749120 /nfs/dbraw/zinc/74/91/20/979749120.db2.gz IGSGSGLGELFFOR-UHFFFAOYSA-N 0 3 235.327 2.694 20 10 BFCDHN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C1CC1 ZINC001236817805 979749126 /nfs/dbraw/zinc/74/91/26/979749126.db2.gz IGSGSGLGELFFOR-UHFFFAOYSA-N 0 3 235.327 2.694 20 10 BFCDHN COCC1C[NH+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237044280 979807784 /nfs/dbraw/zinc/80/77/84/979807784.db2.gz BODNRBUFSFVWOH-UHFFFAOYSA-N 0 3 249.354 2.594 20 10 BFCDHN COCC[N@H+](C)Cc1ccc(C(C)C)cc1[O-] ZINC001237045969 979807894 /nfs/dbraw/zinc/80/78/94/979807894.db2.gz NVSCUMBRWNTDPP-UHFFFAOYSA-N 0 3 237.343 2.594 20 10 BFCDHN COCC[N@@H+](C)Cc1ccc(C(C)C)cc1[O-] ZINC001237045969 979807897 /nfs/dbraw/zinc/80/78/97/979807897.db2.gz NVSCUMBRWNTDPP-UHFFFAOYSA-N 0 3 237.343 2.594 20 10 BFCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001237048245 979811938 /nfs/dbraw/zinc/81/19/38/979811938.db2.gz CIIUDSGOMQBCFA-OKILXGFUSA-N 0 3 231.339 2.967 20 10 BFCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001237048245 979811942 /nfs/dbraw/zinc/81/19/42/979811942.db2.gz CIIUDSGOMQBCFA-OKILXGFUSA-N 0 3 231.339 2.967 20 10 BFCDHN CC[N@H+](Cc1cccn1C)Cc1ccccc1[O-] ZINC001203267739 979852255 /nfs/dbraw/zinc/85/22/55/979852255.db2.gz YXQHROSMOZDSAA-UHFFFAOYSA-N 0 3 244.338 2.753 20 10 BFCDHN CC[N@@H+](Cc1cccn1C)Cc1ccccc1[O-] ZINC001203267739 979852256 /nfs/dbraw/zinc/85/22/56/979852256.db2.gz YXQHROSMOZDSAA-UHFFFAOYSA-N 0 3 244.338 2.753 20 10 BFCDHN Cc1cccc(O)c1CN1CCC(=O)[C@H](C)CC1 ZINC001237486251 979909688 /nfs/dbraw/zinc/90/96/88/979909688.db2.gz ZRBJYSJRWQCSGF-GFCCVEGCSA-N 0 3 247.338 2.502 20 10 BFCDHN CCCO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489069 979917398 /nfs/dbraw/zinc/91/73/98/979917398.db2.gz DPQFNUUNTYIGBH-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CCCO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489069 979917407 /nfs/dbraw/zinc/91/74/07/979917407.db2.gz DPQFNUUNTYIGBH-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[NH+](CC)Cc1cc(F)cc(C)c1[O-] ZINC001238056144 980132241 /nfs/dbraw/zinc/13/22/41/980132241.db2.gz DWNLACQPTOBEBL-UHFFFAOYSA-N 0 3 211.280 2.682 20 10 BFCDHN Cc1cc(F)cc(C[NH+]2C3CCC2CC3)c1[O-] ZINC001238062494 980134827 /nfs/dbraw/zinc/13/48/27/980134827.db2.gz QVIRZOMGJBBBDT-UHFFFAOYSA-N 0 3 235.302 2.967 20 10 BFCDHN Cc1cc(F)cc(C[NH+]2CCCCC2)c1[O-] ZINC001238057152 980135142 /nfs/dbraw/zinc/13/51/42/980135142.db2.gz IYKHWRCPPXGCNH-UHFFFAOYSA-N 0 3 223.291 2.826 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000686518941 985126531 /nfs/dbraw/zinc/12/65/31/985126531.db2.gz VTBAKYLYQAEAHA-FDYHWXHSSA-N 0 3 249.354 2.856 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1(CCO)CCCCC1 ZINC000687281529 985282565 /nfs/dbraw/zinc/28/25/65/985282565.db2.gz CLFPKSLNXPRLOA-UHFFFAOYSA-N 0 3 249.354 2.567 20 10 BFCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])CC(F)F ZINC000697715568 987366438 /nfs/dbraw/zinc/36/64/38/987366438.db2.gz GCGXKOVYNNTZSV-MRVPVSSYSA-N 0 3 247.260 2.912 20 10 BFCDHN C[NH+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249223409 989264044 /nfs/dbraw/zinc/26/40/44/989264044.db2.gz FHGAEPYJGSCAAF-UHFFFAOYSA-N 0 3 233.311 2.638 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001326338681 989501236 /nfs/dbraw/zinc/50/12/36/989501236.db2.gz JGXRTCKTNXQLMQ-CMPLNLGQSA-N 0 3 241.281 2.902 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC001308569419 991039676 /nfs/dbraw/zinc/03/96/76/991039676.db2.gz IBYURCJAXNEDPG-JQWIXIFHSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+]2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC001308569419 991039685 /nfs/dbraw/zinc/03/96/85/991039685.db2.gz IBYURCJAXNEDPG-JQWIXIFHSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]2C(C)C)c([O-])c1 ZINC001308639128 991074527 /nfs/dbraw/zinc/07/45/27/991074527.db2.gz NIPBVYAEGMOKJQ-CQSZACIVSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]2C(C)C)c([O-])c1 ZINC001308639128 991074535 /nfs/dbraw/zinc/07/45/35/991074535.db2.gz NIPBVYAEGMOKJQ-CQSZACIVSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)[C@@H](C)C2CC2)c([O-])c1 ZINC001308769111 991123749 /nfs/dbraw/zinc/12/37/49/991123749.db2.gz FMAWTJPMTUUMQW-NSHDSACASA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)[C@@H](C)C2CC2)c([O-])c1 ZINC001308769111 991123753 /nfs/dbraw/zinc/12/37/53/991123753.db2.gz FMAWTJPMTUUMQW-NSHDSACASA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC001308941158 991228017 /nfs/dbraw/zinc/22/80/17/991228017.db2.gz ZVEMBLSETCMSBM-PWSUYJOCSA-N 0 3 249.354 2.987 20 10 BFCDHN Cc1ccc(C)c(CN2CCC[C@H](F)C2)c1O ZINC001140179725 991549197 /nfs/dbraw/zinc/54/91/97/991549197.db2.gz NNJTVYMUAGARBW-LBPRGKRZSA-N 0 3 237.318 2.943 20 10 BFCDHN Cc1ccc(C)c(CN2CCOC(C)(C)C2)c1O ZINC001140178155 991551240 /nfs/dbraw/zinc/55/12/40/991551240.db2.gz AVTZWLVKUCVBNA-UHFFFAOYSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C2(C)CC2)c([O-])c1 ZINC001320131840 992110385 /nfs/dbraw/zinc/11/03/85/992110385.db2.gz TZFQVCATEZDVLF-JTQLQIEISA-N 0 3 205.301 2.904 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000384154501 993549896 /nfs/dbraw/zinc/54/98/96/993549896.db2.gz QYSDAUGDDXEMIV-SNVBAGLBSA-N 0 3 245.244 2.776 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000384154501 993549904 /nfs/dbraw/zinc/54/99/04/993549904.db2.gz QYSDAUGDDXEMIV-SNVBAGLBSA-N 0 3 245.244 2.776 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000172493585 178195161 /nfs/dbraw/zinc/19/51/61/178195161.db2.gz UBBPVUOEYCGYAB-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000172493585 178195162 /nfs/dbraw/zinc/19/51/62/178195162.db2.gz UBBPVUOEYCGYAB-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCOC[C@@H]2C)cc1C ZINC000277878414 178196894 /nfs/dbraw/zinc/19/68/94/178196894.db2.gz NVHIKIMHSZLLDG-JSGCOSHPSA-N 0 3 249.354 2.524 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1C ZINC000277878411 178197390 /nfs/dbraw/zinc/19/73/90/178197390.db2.gz NVHIKIMHSZLLDG-GXTWGEPZSA-N 0 3 249.354 2.524 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)cc1C ZINC000266144675 178197803 /nfs/dbraw/zinc/19/78/03/178197803.db2.gz IIXCNJUYFWYLBY-OLZOCXBDSA-N 0 3 249.354 2.524 20 10 BFCDHN CCC(CC)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000083365155 168361128 /nfs/dbraw/zinc/36/11/28/168361128.db2.gz ZBUMQTGRBYXBNO-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccccc1[O-] ZINC000038011121 343365627 /nfs/dbraw/zinc/36/56/27/343365627.db2.gz KHFNZNHEVVBYDZ-ZDUSSCGKSA-N 0 3 245.326 2.665 20 10 BFCDHN CCCCOCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000040506202 343405779 /nfs/dbraw/zinc/40/57/79/343405779.db2.gz XDWRECRNTLSRCM-GFCCVEGCSA-N 0 3 237.343 2.860 20 10 BFCDHN CCOc1cccc(C[NH2+][C@H]2CC2(C)C)c1[O-] ZINC000045115834 343523893 /nfs/dbraw/zinc/52/38/93/343523893.db2.gz HQUYMLSCUXVIPR-LBPRGKRZSA-N 0 3 235.327 2.679 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)c([O-])c1 ZINC000230669601 178849793 /nfs/dbraw/zinc/84/97/93/178849793.db2.gz XFJUCWSECZTYJL-GHMZBOCLSA-N 0 3 245.326 2.836 20 10 BFCDHN Cc1cccc(C[N@@H+](C)CC(C)C)c1[O-] ZINC000162809158 179064413 /nfs/dbraw/zinc/06/44/13/179064413.db2.gz GNABEKNPMJLCIH-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN Cc1cccc(C[N@H+](C)CC(C)C)c1[O-] ZINC000162809158 179064416 /nfs/dbraw/zinc/06/44/16/179064416.db2.gz GNABEKNPMJLCIH-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN Cc1cccc(CN(C)Cc2ccco2)c1O ZINC000179582115 179068834 /nfs/dbraw/zinc/06/88/34/179068834.db2.gz ZHXSGQCRWVYZHA-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN Cc1cccc(C[NH2+]CC[C@@H]2CCCCO2)c1[O-] ZINC000227521953 179092789 /nfs/dbraw/zinc/09/27/89/179092789.db2.gz WICMAKVKMVGVLW-AWEZNQCLSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1cccc(CNCc2ccco2)c1O ZINC000083348974 179095410 /nfs/dbraw/zinc/09/54/10/179095410.db2.gz UZPTWOGAKFBJLU-UHFFFAOYSA-N 0 3 217.268 2.583 20 10 BFCDHN Cc1cccc(CN[C@H](C)c2cccnc2)c1O ZINC000161122225 179099849 /nfs/dbraw/zinc/09/98/49/179099849.db2.gz ZOFFWXIIJXLBFN-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc(C[NH2+][C@H](C)c2cccnc2)c1[O-] ZINC000161122225 179099851 /nfs/dbraw/zinc/09/98/51/179099851.db2.gz ZOFFWXIIJXLBFN-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CC1(C)SC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296619790 188097338 /nfs/dbraw/zinc/09/73/38/188097338.db2.gz ZBJINAGPKRWJPR-PWSUYJOCSA-N 0 3 249.379 2.863 20 10 BFCDHN CC(C)=CCNCc1ccc2c(c1)CCO2 ZINC000191631236 188173260 /nfs/dbraw/zinc/17/32/60/188173260.db2.gz RILWHFZGRYHMTI-UHFFFAOYSA-N 0 3 217.312 2.677 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000228552071 188184446 /nfs/dbraw/zinc/18/44/46/188184446.db2.gz QBYAKCIOGPWTIX-NSHDSACASA-N 0 3 237.368 2.543 20 10 BFCDHN CO[C@]1(C)CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000230299857 353490945 /nfs/dbraw/zinc/49/09/45/353490945.db2.gz DLXKPUJHCMTEQK-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@]1(C)CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000230299857 353490947 /nfs/dbraw/zinc/49/09/47/353490947.db2.gz DLXKPUJHCMTEQK-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN CC1(C)OCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296596497 188450393 /nfs/dbraw/zinc/45/03/93/188450393.db2.gz VIFZUHFBEOUUOE-WCQYABFASA-N 0 3 247.338 2.537 20 10 BFCDHN CCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000063730664 169080775 /nfs/dbraw/zinc/08/07/75/169080775.db2.gz GCHJZIPEGHUYHF-UHFFFAOYSA-N 0 3 207.317 2.851 20 10 BFCDHN CCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000063730664 169080776 /nfs/dbraw/zinc/08/07/76/169080776.db2.gz GCHJZIPEGHUYHF-UHFFFAOYSA-N 0 3 207.317 2.851 20 10 BFCDHN CCC[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000179931167 169173018 /nfs/dbraw/zinc/17/30/18/169173018.db2.gz KTWSWOFXHPKPIE-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN CCC[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000179931167 169173020 /nfs/dbraw/zinc/17/30/20/169173020.db2.gz KTWSWOFXHPKPIE-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN CCCN(Cc1c[nH]cn1)Cc1ccccc1O ZINC000092704999 169174082 /nfs/dbraw/zinc/17/40/82/169174082.db2.gz VMXAEVMHDNXTCX-UHFFFAOYSA-N 0 3 245.326 2.528 20 10 BFCDHN CCC[N@H+](CCCF)Cc1ccccc1[O-] ZINC000151158084 169154702 /nfs/dbraw/zinc/15/47/02/169154702.db2.gz AXWYMWCUTCTWMQ-UHFFFAOYSA-N 0 3 225.307 2.964 20 10 BFCDHN CCC[N@@H+](CCCF)Cc1ccccc1[O-] ZINC000151158084 169154704 /nfs/dbraw/zinc/15/47/04/169154704.db2.gz AXWYMWCUTCTWMQ-UHFFFAOYSA-N 0 3 225.307 2.964 20 10 BFCDHN [O-]c1c(O)cccc1C[NH2+]C1CCCCCC1 ZINC000041116519 183289003 /nfs/dbraw/zinc/28/90/03/183289003.db2.gz WNBQEIOYUKVZOJ-UHFFFAOYSA-N 0 3 235.327 2.910 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCSC1)CC2 ZINC000296604483 183298090 /nfs/dbraw/zinc/29/80/90/183298090.db2.gz XZVHXZUJVVARAZ-ZYHUDNBSSA-N 0 3 249.379 2.722 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C12CCC(CC1)C2 ZINC000378652493 183302389 /nfs/dbraw/zinc/30/23/89/183302389.db2.gz TWCJNCDWCPSNTH-UHFFFAOYSA-N 0 3 217.312 2.815 20 10 BFCDHN CCC[N@H+](CCSC)Cc1ccccc1[O-] ZINC000174375309 169170219 /nfs/dbraw/zinc/17/02/19/169170219.db2.gz GZOHEBYTVURHTK-UHFFFAOYSA-N 0 3 239.384 2.967 20 10 BFCDHN CCC[N@@H+](CCSC)Cc1ccccc1[O-] ZINC000174375309 169170222 /nfs/dbraw/zinc/17/02/22/169170222.db2.gz GZOHEBYTVURHTK-UHFFFAOYSA-N 0 3 239.384 2.967 20 10 BFCDHN CCCOc1ccc(C[NH+]2CCCC2)c([O-])c1 ZINC000101590274 169318321 /nfs/dbraw/zinc/31/83/21/169318321.db2.gz ILJSLWOGAAOCDD-UHFFFAOYSA-N 0 3 235.327 2.777 20 10 BFCDHN CCCOc1ccc(C[N@H+](C)CC)c([O-])c1 ZINC000132550491 169318576 /nfs/dbraw/zinc/31/85/76/169318576.db2.gz ZFTUPNINRWFIFA-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCCOc1ccc(C[N@@H+](C)CC)c([O-])c1 ZINC000132550491 169318579 /nfs/dbraw/zinc/31/85/79/169318579.db2.gz ZFTUPNINRWFIFA-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000035628719 383867240 /nfs/dbraw/zinc/86/72/40/383867240.db2.gz DUPHKTDQASOFHY-VXGBXAGGSA-N 0 3 235.327 2.530 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC2(C)C)c1 ZINC000070955608 383971022 /nfs/dbraw/zinc/97/10/22/383971022.db2.gz VYMAXZMEODMVNC-LBPRGKRZSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccccc2O)o1 ZINC000091956641 384157327 /nfs/dbraw/zinc/15/73/27/384157327.db2.gz MOGCPEABDJMZEJ-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN CCOc1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000092107368 384162899 /nfs/dbraw/zinc/16/28/99/384162899.db2.gz UQLOQELHIVHGLB-UHFFFAOYSA-N 0 3 235.327 2.777 20 10 BFCDHN CCCCOCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000071408249 384166861 /nfs/dbraw/zinc/16/68/61/384166861.db2.gz CURBDZXKPICJEZ-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN CCCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132424219 384189490 /nfs/dbraw/zinc/18/94/90/384189490.db2.gz HBUPYWAGCSTGSG-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132424219 384189492 /nfs/dbraw/zinc/18/94/92/384189492.db2.gz HBUPYWAGCSTGSG-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000094941731 384320142 /nfs/dbraw/zinc/32/01/42/384320142.db2.gz CLHKUXZWXXGZPO-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000079756295 384514408 /nfs/dbraw/zinc/51/44/08/384514408.db2.gz UNWORSGGZWJVFC-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)c([O-])c1 ZINC000020092499 384574731 /nfs/dbraw/zinc/57/47/31/384574731.db2.gz SZNFZEFHJCYCSR-NWDGAFQWSA-N 0 3 235.327 2.530 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c([O-])c1 ZINC000020092495 384575263 /nfs/dbraw/zinc/57/52/63/384575263.db2.gz SZNFZEFHJCYCSR-RYUDHWBXSA-N 0 3 235.327 2.530 20 10 BFCDHN Cc1ccc(O)c(CN(C)Cc2ccco2)c1 ZINC000162175186 384583044 /nfs/dbraw/zinc/58/30/44/384583044.db2.gz RTIIAGPNBRXIGZ-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN CCOc1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000100693122 384651191 /nfs/dbraw/zinc/65/11/91/384651191.db2.gz QPTUYKCPLGACJL-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CO[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C(C)C ZINC000294102647 384661641 /nfs/dbraw/zinc/66/16/41/384661641.db2.gz CCCSBGNGBGVRIL-OCCSQVGLSA-N 0 3 249.354 2.640 20 10 BFCDHN CCC1(C)CN(Cc2cccc(OC)c2O)C1 ZINC000297475867 384816886 /nfs/dbraw/zinc/81/68/86/384816886.db2.gz SYAACCOSQNVYCX-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN C[C@@H]([NH2+]C1CCSCC1)c1ccccc1[O-] ZINC000163989146 384894089 /nfs/dbraw/zinc/89/40/89/384894089.db2.gz WDMPMNNCMZLGKZ-SNVBAGLBSA-N 0 3 237.368 2.938 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(F)ccc1[O-] ZINC000087111396 385075294 /nfs/dbraw/zinc/07/52/94/385075294.db2.gz PITARUQLJWKDIA-PELKAZGASA-N 0 3 223.291 2.980 20 10 BFCDHN CCC1(C[NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000165468484 385133727 /nfs/dbraw/zinc/13/37/27/385133727.db2.gz RWPBTSLABXSJPY-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN CCOC[C@@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000188863895 385097118 /nfs/dbraw/zinc/09/71/18/385097118.db2.gz MTZYLRUOQMXAJS-CYBMUJFWSA-N 0 3 237.343 2.543 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000109544671 385174412 /nfs/dbraw/zinc/17/44/12/385174412.db2.gz JIBPEPCWQRQIQV-NWDGAFQWSA-N 0 3 235.327 2.530 20 10 BFCDHN CO[C@@](C)(C[NH2+]Cc1cccc(C)c1[O-])C1CC1 ZINC000291099316 385204609 /nfs/dbraw/zinc/20/46/09/385204609.db2.gz ZKNAOCJOSHSRGZ-HNNXBMFYSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000191644262 385312868 /nfs/dbraw/zinc/31/28/68/385312868.db2.gz KSQINGXFYMMBHF-LPEHRKFASA-N 0 3 241.306 2.605 20 10 BFCDHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)ccc1O ZINC000131483552 385336813 /nfs/dbraw/zinc/33/68/13/385336813.db2.gz LKEGQVOAGLYMPS-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CCCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179868122 385381711 /nfs/dbraw/zinc/38/17/11/385381711.db2.gz JAZXDGUCCBWCHV-UHFFFAOYSA-N 0 3 211.280 2.763 20 10 BFCDHN CCCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179868122 385381715 /nfs/dbraw/zinc/38/17/15/385381715.db2.gz JAZXDGUCCBWCHV-UHFFFAOYSA-N 0 3 211.280 2.763 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1[O-] ZINC000155313134 385385864 /nfs/dbraw/zinc/38/58/64/385385864.db2.gz JTCYPLXLRKSVIZ-OCCSQVGLSA-N 0 3 248.370 2.527 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000168799191 385387081 /nfs/dbraw/zinc/38/70/81/385387081.db2.gz JHKYFRKAUOYUQW-FRRDWIJNSA-N 0 3 249.354 2.776 20 10 BFCDHN CC[C@@H](NCCF)c1ccc(N(C)C)cc1 ZINC000281033228 385388259 /nfs/dbraw/zinc/38/82/59/385388259.db2.gz NEMAQEJDRYQSJQ-CYBMUJFWSA-N 0 3 224.323 2.763 20 10 BFCDHN CCOC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179575484 385474017 /nfs/dbraw/zinc/47/40/17/385474017.db2.gz SBPBRMJFJBQKQY-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN CCOC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179575484 385474019 /nfs/dbraw/zinc/47/40/19/385474019.db2.gz SBPBRMJFJBQKQY-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN CSCC[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000179577948 385475331 /nfs/dbraw/zinc/47/53/31/385475331.db2.gz DHVXIBVBMGUCKQ-LLVKDONJSA-N 0 3 239.384 2.966 20 10 BFCDHN CSCC[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000179577948 385475335 /nfs/dbraw/zinc/47/53/35/385475335.db2.gz DHVXIBVBMGUCKQ-LLVKDONJSA-N 0 3 239.384 2.966 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])CCS1 ZINC000179577125 385475784 /nfs/dbraw/zinc/47/57/84/385475784.db2.gz HUJCMGZIKIUBBY-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCS1 ZINC000179577125 385475788 /nfs/dbraw/zinc/47/57/88/385475788.db2.gz HUJCMGZIKIUBBY-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccccc1[O-] ZINC000290165224 385648098 /nfs/dbraw/zinc/64/80/98/385648098.db2.gz MFPDVVQOQGBNMC-RISCZKNCSA-N 0 3 249.354 2.594 20 10 BFCDHN CO[C@@]1(C)CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000230299752 385728768 /nfs/dbraw/zinc/72/87/68/385728768.db2.gz NJSJNKLYNUSRHU-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@]1(C)CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000230299752 385728769 /nfs/dbraw/zinc/72/87/69/385728769.db2.gz NJSJNKLYNUSRHU-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cn[nH]c1 ZINC000230669627 385747279 /nfs/dbraw/zinc/74/72/79/385747279.db2.gz DAQDWMNRSMJYBW-BDAKNGLRSA-N 0 3 249.289 2.666 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000230670367 385748020 /nfs/dbraw/zinc/74/80/20/385748020.db2.gz PFVOWQOLHOLORU-AVGNSLFASA-N 0 3 249.354 2.919 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCSC1)c1cc(F)ccc1[O-] ZINC000230667731 385748101 /nfs/dbraw/zinc/74/81/01/385748101.db2.gz NPQNOCDZCNDPEJ-SCZZXKLOSA-N 0 3 241.331 2.687 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCO2)c([O-])c1 ZINC000284045937 385847611 /nfs/dbraw/zinc/84/76/11/385847611.db2.gz KBCCLFQDTGDSOQ-OLZOCXBDSA-N 0 3 249.354 2.839 20 10 BFCDHN CCC1([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000294823926 385899769 /nfs/dbraw/zinc/89/97/69/385899769.db2.gz PETSQCGSWVPDDJ-JTQLQIEISA-N 0 3 235.327 2.994 20 10 BFCDHN CS[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000295100747 385967200 /nfs/dbraw/zinc/96/72/00/385967200.db2.gz SSRQJHGTAZORMH-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000295100747 385967205 /nfs/dbraw/zinc/96/72/05/385967205.db2.gz SSRQJHGTAZORMH-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000286169102 386004024 /nfs/dbraw/zinc/00/40/24/386004024.db2.gz ONAKRCIYMFHPGN-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000286169102 386004029 /nfs/dbraw/zinc/00/40/29/386004029.db2.gz ONAKRCIYMFHPGN-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)c([O-])c1 ZINC000273576816 386015084 /nfs/dbraw/zinc/01/50/84/386015084.db2.gz LXQUMYITUVIOJK-GFCCVEGCSA-N 0 3 244.338 2.890 20 10 BFCDHN CCC1(C)C[NH+](Cc2cccc(C)c2[O-])C1 ZINC000297387768 386251200 /nfs/dbraw/zinc/25/12/00/386251200.db2.gz KEGIPQMSPGXSKX-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000290142350 386398119 /nfs/dbraw/zinc/39/81/19/386398119.db2.gz KSQINGXFYMMBHF-OPRDCNLKSA-N 0 3 241.306 2.605 20 10 BFCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000290142352 386399216 /nfs/dbraw/zinc/39/92/16/386399216.db2.gz KSQINGXFYMMBHF-UTLUCORTSA-N 0 3 241.306 2.605 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCSC1 ZINC000278368860 386518312 /nfs/dbraw/zinc/51/83/12/386518312.db2.gz BPNYWJJCNVAIQH-LLVKDONJSA-N 0 3 237.368 2.577 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCSC1 ZINC000278368860 386518316 /nfs/dbraw/zinc/51/83/16/386518316.db2.gz BPNYWJJCNVAIQH-LLVKDONJSA-N 0 3 237.368 2.577 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000291241738 386525609 /nfs/dbraw/zinc/52/56/09/386525609.db2.gz LGOUSQYWDBQCDG-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000291241738 386525612 /nfs/dbraw/zinc/52/56/12/386525612.db2.gz LGOUSQYWDBQCDG-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H]2CC)c1 ZINC000292754569 386719393 /nfs/dbraw/zinc/71/93/93/386719393.db2.gz ISEWJSIIAVFRGV-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H]2CC)c1 ZINC000292754569 386719410 /nfs/dbraw/zinc/71/94/10/386719410.db2.gz ISEWJSIIAVFRGV-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280229364 386790814 /nfs/dbraw/zinc/79/08/14/386790814.db2.gz VGPCGRYUFRJOAL-DGCLKSJQSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280231103 386791009 /nfs/dbraw/zinc/79/10/09/386791009.db2.gz VGPCGRYUFRJOAL-YPMHNXCESA-N 0 3 237.343 2.512 20 10 BFCDHN CO[C@H](C[NH2+]Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000293062706 386773481 /nfs/dbraw/zinc/77/34/81/386773481.db2.gz SHUJSLJUMSSIMB-OAHLLOKOSA-N 0 3 249.354 2.524 20 10 BFCDHN CC[C@H]([NH2+]C[C@H](C)OC)c1ccc(C)cc1[O-] ZINC000280082721 386774996 /nfs/dbraw/zinc/77/49/96/386774996.db2.gz LUXJHDUPMATSEA-AAEUAGOBSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@@H]([NH2+]CC1(C)COC1)c1ccc(C)cc1[O-] ZINC000280082837 386775305 /nfs/dbraw/zinc/77/53/05/386775305.db2.gz LVISFSWFRKDAEP-CYBMUJFWSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@@H]([NH2+]CC(C)(C)O)c1ccc(C)cc1[O-] ZINC000280128236 386782188 /nfs/dbraw/zinc/78/21/88/386782188.db2.gz OSCPYNJPKZLUSC-GFCCVEGCSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H]([NH2+]CC(C)(C)O)c1ccc(C)cc1[O-] ZINC000280128237 386782198 /nfs/dbraw/zinc/78/21/98/386782198.db2.gz OSCPYNJPKZLUSC-LBPRGKRZSA-N 0 3 237.343 2.512 20 10 BFCDHN CCOCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293769128 386877381 /nfs/dbraw/zinc/87/73/81/386877381.db2.gz PLLZZBKITLHNMY-LBPRGKRZSA-N 0 3 237.343 2.696 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000278343483 387553050 /nfs/dbraw/zinc/55/30/50/387553050.db2.gz AKIJOEQDJAAAEQ-XBFCOCLRSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527737624 387668376 /nfs/dbraw/zinc/66/83/76/387668376.db2.gz HYWOPDYASKHDRZ-ZDUSSCGKSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(O)c(CNCc2cccnc2C)c1 ZINC000527773226 387704732 /nfs/dbraw/zinc/70/47/32/387704732.db2.gz OIEZYOCSSPOPQN-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]Cc2cccnc2C)c1 ZINC000527773226 387704742 /nfs/dbraw/zinc/70/47/42/387704742.db2.gz OIEZYOCSSPOPQN-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000527802566 387725022 /nfs/dbraw/zinc/72/50/22/387725022.db2.gz ANMYGRFOMQQJMS-OXIQGZBJSA-N 0 3 249.354 2.602 20 10 BFCDHN CS[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163995240 388122289 /nfs/dbraw/zinc/12/22/89/388122289.db2.gz JKZQAHIKOOXADD-UWVGGRQHSA-N 0 3 225.357 2.794 20 10 BFCDHN CCC[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000293699541 388359375 /nfs/dbraw/zinc/35/93/75/388359375.db2.gz OWWTVCWGGFNKIG-OLZOCXBDSA-N 0 3 249.354 2.784 20 10 BFCDHN CO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000293636877 388390242 /nfs/dbraw/zinc/39/02/42/388390242.db2.gz GWLPZEXIORXGEP-NHYWBVRUSA-N 0 3 249.354 2.776 20 10 BFCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000293636881 388391044 /nfs/dbraw/zinc/39/10/44/388391044.db2.gz GWLPZEXIORXGEP-XHDPSFHLSA-N 0 3 249.354 2.776 20 10 BFCDHN CCOc1cccc(C[NH2+]C2(CC)CC2)c1[O-] ZINC000294768253 388403130 /nfs/dbraw/zinc/40/31/30/388403130.db2.gz JYJKXHPOWKOLDR-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C2CC2)c([O-])c1C ZINC000134901703 388480231 /nfs/dbraw/zinc/48/02/31/388480231.db2.gz WEPGGFOZNSOXNH-JTQLQIEISA-N 0 3 205.301 2.822 20 10 BFCDHN C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295847625 388414743 /nfs/dbraw/zinc/41/47/43/388414743.db2.gz FXESSNUJYCZWLC-USWWRNFRSA-N 0 3 217.312 2.625 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000296371794 388423060 /nfs/dbraw/zinc/42/30/60/388423060.db2.gz JFTNRJGTWRUPLK-GWCFXTLKSA-N 0 3 235.327 2.610 20 10 BFCDHN FCCNCc1ccc(N2CCCCC2)cc1 ZINC000280618616 132210918 /nfs/dbraw/zinc/21/09/18/132210918.db2.gz FKHJBDATFCWNKU-UHFFFAOYSA-N 0 3 236.334 2.736 20 10 BFCDHN CN(C)c1ccc(CN2CCC[C@H]2CF)cc1 ZINC000293190862 398114362 /nfs/dbraw/zinc/11/43/62/398114362.db2.gz WLKQXQVOOGZNHG-AWEZNQCLSA-N 0 3 236.334 2.687 20 10 BFCDHN C[C@@H](C1CC1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179936028 410910166 /nfs/dbraw/zinc/91/01/66/410910166.db2.gz XNYVELGPDFULHZ-VIFPVBQESA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179936028 410910170 /nfs/dbraw/zinc/91/01/70/410910170.db2.gz XNYVELGPDFULHZ-VIFPVBQESA-N 0 3 223.291 2.762 20 10 BFCDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000179937574 410910755 /nfs/dbraw/zinc/91/07/55/410910755.db2.gz KSJPSVMIGDDMFT-UHFFFAOYSA-N 0 3 223.291 2.904 20 10 BFCDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000179937574 410910758 /nfs/dbraw/zinc/91/07/58/410910758.db2.gz KSJPSVMIGDDMFT-UHFFFAOYSA-N 0 3 223.291 2.904 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000527797267 411243536 /nfs/dbraw/zinc/24/35/36/411243536.db2.gz CNUGURVROMLWQH-CABCVRRESA-N 0 3 249.354 2.746 20 10 BFCDHN CC1=CC[N@H+](Cc2ccccc2[O-])CC1 ZINC000272305310 168114113 /nfs/dbraw/zinc/11/41/13/168114113.db2.gz QLBPOFUTGBKRTK-UHFFFAOYSA-N 0 3 203.285 2.544 20 10 BFCDHN CC1=CC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000272305310 168114115 /nfs/dbraw/zinc/11/41/15/168114115.db2.gz QLBPOFUTGBKRTK-UHFFFAOYSA-N 0 3 203.285 2.544 20 10 BFCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000211545137 170576521 /nfs/dbraw/zinc/57/65/21/170576521.db2.gz VRVKHEIZSQZVMS-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000211545137 170576523 /nfs/dbraw/zinc/57/65/23/170576523.db2.gz VRVKHEIZSQZVMS-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)ccc1O ZINC000131482958 171114589 /nfs/dbraw/zinc/11/45/89/171114589.db2.gz LKEGQVOAGLYMPS-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H](C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000054467265 171285998 /nfs/dbraw/zinc/28/59/98/171285998.db2.gz KUHLRRCOSFPCRP-JTQLQIEISA-N 0 3 223.316 2.537 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000278343480 171548447 /nfs/dbraw/zinc/54/84/47/171548447.db2.gz AKIJOEQDJAAAEQ-UBHSHLNASA-N 0 3 249.354 2.858 20 10 BFCDHN COC1(C[C@@H](C)[NH2+]Cc2ccccc2[O-])CCC1 ZINC000277193483 174007452 /nfs/dbraw/zinc/00/74/52/174007452.db2.gz VBZQYYJXGKOESL-GFCCVEGCSA-N 0 3 249.354 2.830 20 10 BFCDHN COCC(C)(C)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000292734584 174078159 /nfs/dbraw/zinc/07/81/59/174078159.db2.gz GSLRWIKLYLEKIZ-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COCC(C)(C)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000292734584 174078162 /nfs/dbraw/zinc/07/81/62/174078162.db2.gz GSLRWIKLYLEKIZ-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COCCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297603769 174185076 /nfs/dbraw/zinc/18/50/76/174185076.db2.gz IDAGLGYNZHXVEM-CYBMUJFWSA-N 0 3 249.354 2.786 20 10 BFCDHN COCCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000044657150 174203632 /nfs/dbraw/zinc/20/36/32/174203632.db2.gz CJVPBRFOGJBIAW-GFCCVEGCSA-N 0 3 237.343 2.778 20 10 BFCDHN COc1ccc(CNCc2cccn2C)cc1C ZINC000118980068 175108647 /nfs/dbraw/zinc/10/86/47/175108647.db2.gz QYUPNFOLOACZAO-UHFFFAOYSA-N 0 3 244.338 2.632 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000179714842 175157791 /nfs/dbraw/zinc/15/77/91/175157791.db2.gz FHAPUIYSZTYGTC-SNVBAGLBSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000179714842 175157794 /nfs/dbraw/zinc/15/77/94/175157794.db2.gz FHAPUIYSZTYGTC-SNVBAGLBSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C(C)C)C2CC2)c1 ZINC000179725677 175158008 /nfs/dbraw/zinc/15/80/08/175158008.db2.gz FGEVVFRKRVWYJK-UHFFFAOYSA-N 0 3 235.327 2.774 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C(C)C)C2CC2)c1 ZINC000179725677 175158010 /nfs/dbraw/zinc/15/80/10/175158010.db2.gz FGEVVFRKRVWYJK-UHFFFAOYSA-N 0 3 235.327 2.774 20 10 BFCDHN COc1ccc(O)c(CNCc2ccsc2)c1 ZINC000063152302 175159226 /nfs/dbraw/zinc/15/92/26/175159226.db2.gz ZRFBXPXEJBNUJW-UHFFFAOYSA-N 0 3 249.335 2.752 20 10 BFCDHN COc1ccc(O)c([C@@H](C)NCc2ccoc2)c1 ZINC000168737095 175160006 /nfs/dbraw/zinc/16/00/06/175160006.db2.gz LOHZLVWTCBMZDA-SNVBAGLBSA-N 0 3 247.294 2.845 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)C)c1 ZINC000019883133 175161004 /nfs/dbraw/zinc/16/10/04/175161004.db2.gz GAKSZIMDQVFMDT-SNVBAGLBSA-N 0 3 223.316 2.707 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000091860111 175259788 /nfs/dbraw/zinc/25/97/88/175259788.db2.gz FQEPOSIAIRNFPZ-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000091860111 175259790 /nfs/dbraw/zinc/25/97/90/175259790.db2.gz FQEPOSIAIRNFPZ-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[NH2+]CC2(C3CC3)CC2)c1[O-] ZINC000130734527 175263226 /nfs/dbraw/zinc/26/32/26/175263226.db2.gz DZHCHLPEHOZXTM-UHFFFAOYSA-N 0 3 247.338 2.681 20 10 BFCDHN COc1cccc(C[NH2+]CCC(C)C)c1[O-] ZINC000019911974 175263289 /nfs/dbraw/zinc/26/32/89/175263289.db2.gz ZLNXMCQLJFFYES-UHFFFAOYSA-N 0 3 223.316 2.537 20 10 BFCDHN COc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1[O-] ZINC000045628765 175264853 /nfs/dbraw/zinc/26/48/53/175264853.db2.gz WIZRDYQCQPTBDV-GFCCVEGCSA-N 0 3 247.338 2.847 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC=CCC2)c1[O-] ZINC000076770675 175266467 /nfs/dbraw/zinc/26/64/67/175266467.db2.gz ALQVCGHMXPHXFD-GFCCVEGCSA-N 0 3 233.311 2.599 20 10 BFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CCC1(F)F ZINC000291438542 176307281 /nfs/dbraw/zinc/30/72/81/176307281.db2.gz BQQWIGUBXUJXMG-SNVBAGLBSA-N 0 3 241.281 2.869 20 10 BFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCC1(F)F ZINC000291438542 176307284 /nfs/dbraw/zinc/30/72/84/176307284.db2.gz BQQWIGUBXUJXMG-SNVBAGLBSA-N 0 3 241.281 2.869 20 10 BFCDHN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000528001254 323737300 /nfs/dbraw/zinc/73/73/00/323737300.db2.gz INYMFRQMEUAFSK-VSBZFQJLSA-N 0 3 249.354 2.855 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC23CC(C2)CO3)c1 ZINC000527977787 323741581 /nfs/dbraw/zinc/74/15/81/323741581.db2.gz HBVBYXWBERBDPW-BZUNDVKYSA-N 0 3 247.338 2.530 20 10 BFCDHN Cc1cccc(C[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000529636818 324367891 /nfs/dbraw/zinc/36/78/91/324367891.db2.gz IBNKENNHEGKPOH-CYBMUJFWSA-N 0 3 249.354 2.607 20 10 BFCDHN CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccccc1[O-] ZINC000854224821 588780634 /nfs/dbraw/zinc/78/06/34/588780634.db2.gz ZOIMKNFKCDCOAD-CYBMUJFWSA-N 0 3 248.370 2.704 20 10 BFCDHN COc1ccc(CN[C@@H]2C=CCC2)cc1C ZINC000829348530 582856424 /nfs/dbraw/zinc/85/64/24/582856424.db2.gz UIZCGLCSSMUGJB-CYBMUJFWSA-N 0 3 217.312 2.812 20 10 BFCDHN COC1([C@H](C)[NH2+]Cc2cc(C)ccc2[O-])CCC1 ZINC000840969254 583205346 /nfs/dbraw/zinc/20/53/46/583205346.db2.gz CVGAASRORQMPST-LBPRGKRZSA-N 0 3 249.354 2.748 20 10 BFCDHN CO[C@@H](CC(C)C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877702806 583343303 /nfs/dbraw/zinc/34/33/03/583343303.db2.gz IGYKDPBFMPAALC-ZDUSSCGKSA-N 0 3 249.354 2.769 20 10 BFCDHN CO[C@@H](CC(C)C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877702806 583343304 /nfs/dbraw/zinc/34/33/04/583343304.db2.gz IGYKDPBFMPAALC-ZDUSSCGKSA-N 0 3 249.354 2.769 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C2CC=CC2)c1[O-] ZINC000894341839 583428980 /nfs/dbraw/zinc/42/89/80/583428980.db2.gz FJZUENPUFHEGMI-UHFFFAOYSA-N 0 3 233.311 2.517 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000894860088 583533748 /nfs/dbraw/zinc/53/37/48/583533748.db2.gz AMIPFWJMYIWZOI-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000894860088 583533750 /nfs/dbraw/zinc/53/37/50/583533750.db2.gz AMIPFWJMYIWZOI-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN COc1cc(C)cc(CN2C[C@@H](C)[C@H]2C)c1O ZINC000894862465 583537414 /nfs/dbraw/zinc/53/74/14/583537414.db2.gz YXYGPIVCGGEFCZ-GHMZBOCLSA-N 0 3 235.327 2.549 20 10 BFCDHN Cc1ncoc1CN[C@H](C)c1ccccc1O ZINC000895460165 583677947 /nfs/dbraw/zinc/67/79/47/583677947.db2.gz LUQLLFCJJRRUHC-SECBINFHSA-N 0 3 232.283 2.539 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C[C@@H]2C=CCC2)c1[O-] ZINC000895526071 583684640 /nfs/dbraw/zinc/68/46/40/583684640.db2.gz GWINPLLUQLAQJT-GFCCVEGCSA-N 0 3 247.338 2.765 20 10 BFCDHN CN(C)c1ccc(CN(C)CCCF)cc1F ZINC000895898402 583740851 /nfs/dbraw/zinc/74/08/51/583740851.db2.gz QTSORCHKNDWKGA-UHFFFAOYSA-N 0 3 242.313 2.683 20 10 BFCDHN CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929118 583748989 /nfs/dbraw/zinc/74/89/89/583748989.db2.gz XPPGBKGJVCVWAF-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929118 583748990 /nfs/dbraw/zinc/74/89/90/583748990.db2.gz XPPGBKGJVCVWAF-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN C/C=C\CNCc1ccc(OC)c(COCC)c1 ZINC000858289793 588942382 /nfs/dbraw/zinc/94/23/82/588942382.db2.gz AVRIMAHYUSYHED-XQRVVYSFSA-N 0 3 249.354 2.897 20 10 BFCDHN Cc1ccc(C[NH2+][C@]23C[C@H]2CCC3)c([O-])c1 ZINC000897375507 583945291 /nfs/dbraw/zinc/94/52/91/583945291.db2.gz WFJHCVGPQGLJSF-TZMCWYRMSA-N 0 3 217.312 2.733 20 10 BFCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000897442929 583984705 /nfs/dbraw/zinc/98/47/05/583984705.db2.gz LXMKKHHATJKGHJ-UHFFFAOYSA-N 0 3 219.328 2.918 20 10 BFCDHN CN(C)c1ccc(CNCC(C)(C)F)cc1 ZINC000865653325 584026362 /nfs/dbraw/zinc/02/63/62/584026362.db2.gz DHCMHJDLIWBAFW-UHFFFAOYSA-N 0 3 224.323 2.590 20 10 BFCDHN Cc1cc(N(C)C)ccc1CNC/C=C\Cl ZINC000898430023 584134417 /nfs/dbraw/zinc/13/44/17/584134417.db2.gz SPBBGZHDZCTXHN-DAXSKMNVSA-N 0 3 238.762 2.903 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C)cc1[O-] ZINC000858542791 588964393 /nfs/dbraw/zinc/96/43/93/588964393.db2.gz BUBMCDVQGUPIOZ-SCRDCRAPSA-N 0 3 249.354 2.512 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000858584277 588969062 /nfs/dbraw/zinc/96/90/62/588969062.db2.gz OVJXEGMEIXSEFP-JHJVBQTASA-N 0 3 249.354 2.837 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CC(CCO)C2)c1 ZINC000903331453 584754434 /nfs/dbraw/zinc/75/44/34/584754434.db2.gz WXXHJZAQMFAYQE-HIFPTAJRSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)c([O-])c1 ZINC000903405925 584758315 /nfs/dbraw/zinc/75/83/15/584758315.db2.gz GEGDCWBYYIWHIT-BXUZGUMPSA-N 0 3 249.354 2.512 20 10 BFCDHN C[C@H](NCc1ccco1)c1ccccc1O ZINC000021957115 584888332 /nfs/dbraw/zinc/88/83/32/584888332.db2.gz CVJDYPGFMZLMLT-JTQLQIEISA-N 0 3 217.268 2.836 20 10 BFCDHN CSCC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877056203 584889162 /nfs/dbraw/zinc/88/91/62/584889162.db2.gz PVAKIRXSAUGZFA-NSHDSACASA-N 0 3 239.384 2.932 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCCC1CC1 ZINC000736361065 584999047 /nfs/dbraw/zinc/99/90/47/584999047.db2.gz MPFZABZVQIAPII-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000839147008 585092440 /nfs/dbraw/zinc/09/24/40/585092440.db2.gz AUCJVPZVPYMSGN-OKILXGFUSA-N 0 3 249.354 2.666 20 10 BFCDHN CN(C)c1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000839139405 585094491 /nfs/dbraw/zinc/09/44/91/585094491.db2.gz GBMAPJGIGWRLJQ-UHFFFAOYSA-N 0 3 248.345 2.687 20 10 BFCDHN Cc1cc(O)c(CN2CC(C(F)F)C2)cc1C ZINC000839141257 585094494 /nfs/dbraw/zinc/09/44/94/585094494.db2.gz NNUARYZKOCGDBP-UHFFFAOYSA-N 0 3 241.281 2.706 20 10 BFCDHN CC[C@@H]1OCC[C@H]1NCc1ccc(OC)c(C)c1 ZINC000839193487 585097899 /nfs/dbraw/zinc/09/78/99/585097899.db2.gz ZSBOQLSBOKSXGN-KGLIPLIRSA-N 0 3 249.354 2.661 20 10 BFCDHN CO[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000746755681 585172525 /nfs/dbraw/zinc/17/25/25/585172525.db2.gz RHPUTIZTJQGOHF-KBPBESRZSA-N 0 3 249.354 2.748 20 10 BFCDHN C[C@@H]1C[NH+](Cc2cc3c(cc2[O-])CCC3)C[C@H]1C ZINC000751929852 585239549 /nfs/dbraw/zinc/23/95/49/585239549.db2.gz SCEVFHHEVMZIAV-VXGBXAGGSA-N 0 3 245.366 2.969 20 10 BFCDHN C[N@H+](CC[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000754063159 585277217 /nfs/dbraw/zinc/27/72/17/585277217.db2.gz BCOQJENNMLUEKH-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN C[N@@H+](CC[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000754063159 585277218 /nfs/dbraw/zinc/27/72/18/585277218.db2.gz BCOQJENNMLUEKH-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1ccc(O)c(CN2CC(C)(C)OC[C@@H]2C)c1 ZINC000754155991 585279338 /nfs/dbraw/zinc/27/93/38/585279338.db2.gz OHRLTJKZDCHXBQ-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155495 585279413 /nfs/dbraw/zinc/27/94/13/585279413.db2.gz IBJCRWYFIAJDLO-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756340825 585318060 /nfs/dbraw/zinc/31/80/60/585318060.db2.gz JUKWCAKCOAGUTC-PWSUYJOCSA-N 0 3 237.343 2.695 20 10 BFCDHN CCOc1ccc(C[NH2+]C2CC=CC2)c([O-])c1 ZINC000759851034 585381406 /nfs/dbraw/zinc/38/14/06/585381406.db2.gz RTICYNMLHBFHET-UHFFFAOYSA-N 0 3 233.311 2.599 20 10 BFCDHN Cc1cccc(C[NH2+]CCOCC2CCC2)c1[O-] ZINC000765673752 585492115 /nfs/dbraw/zinc/49/21/15/585492115.db2.gz ZPDWWJDUKANFOL-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN [O-]c1cc2c(cc1C[NH+]1CCCC1)CCCC2 ZINC000768437782 585538388 /nfs/dbraw/zinc/53/83/88/585538388.db2.gz HLGJJXBUSBCOPG-UHFFFAOYSA-N 0 3 231.339 2.867 20 10 BFCDHN CC[N@@H+](Cc1c([O-])cccc1OC)CC1CC1 ZINC000769405760 585555698 /nfs/dbraw/zinc/55/56/98/585555698.db2.gz XSHLXKYCNMLRSW-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[N@H+](Cc1c([O-])cccc1OC)CC1CC1 ZINC000769405760 585555699 /nfs/dbraw/zinc/55/56/99/585555699.db2.gz XSHLXKYCNMLRSW-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[N@H+](Cc1c([O-])cccc1OC)C1CCC1 ZINC000769467305 585558023 /nfs/dbraw/zinc/55/80/23/585558023.db2.gz SQIHJUPOGXPMOL-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[N@@H+](Cc1c([O-])cccc1OC)C1CCC1 ZINC000769467305 585558024 /nfs/dbraw/zinc/55/80/24/585558024.db2.gz SQIHJUPOGXPMOL-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CN(C)c1ccc(CN2CCCCC2)cc1F ZINC000770395975 585573918 /nfs/dbraw/zinc/57/39/18/585573918.db2.gz XAGYQSOPGIMYJS-UHFFFAOYSA-N 0 3 236.334 2.878 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCCC2(CC2)C1 ZINC000770672984 585579248 /nfs/dbraw/zinc/57/92/48/585579248.db2.gz DKNWNRGPDWVFHI-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCCC2(CC2)C1 ZINC000770672984 585579249 /nfs/dbraw/zinc/57/92/49/585579249.db2.gz DKNWNRGPDWVFHI-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCCOC[C@H]2C)cc1C ZINC000772826371 585625007 /nfs/dbraw/zinc/62/50/07/585625007.db2.gz YHZKWRJLRGALJU-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCCOC[C@H]2C)cc1C ZINC000772826371 585625008 /nfs/dbraw/zinc/62/50/08/585625008.db2.gz YHZKWRJLRGALJU-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCCOC[C@@H]2C)cc1C ZINC000772826468 585625017 /nfs/dbraw/zinc/62/50/17/585625017.db2.gz YHZKWRJLRGALJU-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCCOC[C@@H]2C)cc1C ZINC000772826468 585625018 /nfs/dbraw/zinc/62/50/18/585625018.db2.gz YHZKWRJLRGALJU-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN CC[C@H]([NH2+][C@H](CO)CC1CC1)c1ccccc1[O-] ZINC000775523824 585678852 /nfs/dbraw/zinc/67/88/52/585678852.db2.gz NYBSXFSOFCBRDT-JSGCOSHPSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1[O-] ZINC000775527605 585679088 /nfs/dbraw/zinc/67/90/88/585679088.db2.gz RSXLAHDXXMMYTC-UONOGXRCSA-N 0 3 249.354 2.594 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]1C(C)C ZINC000775765095 585684087 /nfs/dbraw/zinc/68/40/87/585684087.db2.gz NFMXYQWVGQWJFX-LBPRGKRZSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]1C(C)C ZINC000775765095 585684088 /nfs/dbraw/zinc/68/40/88/585684088.db2.gz NFMXYQWVGQWJFX-LBPRGKRZSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]2C(C)C)c1 ZINC000775764981 585684236 /nfs/dbraw/zinc/68/42/36/585684236.db2.gz MLZLEOIBLPUAQR-CYBMUJFWSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]2C(C)C)c1 ZINC000775764981 585684237 /nfs/dbraw/zinc/68/42/37/585684237.db2.gz MLZLEOIBLPUAQR-CYBMUJFWSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775762609 585684259 /nfs/dbraw/zinc/68/42/59/585684259.db2.gz BMLHKUCVGOXCPV-LBPRGKRZSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775762609 585684260 /nfs/dbraw/zinc/68/42/60/585684260.db2.gz BMLHKUCVGOXCPV-LBPRGKRZSA-N 0 3 235.327 2.631 20 10 BFCDHN CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000776157064 585691402 /nfs/dbraw/zinc/69/14/02/585691402.db2.gz PCRGHRILBGEXRQ-LEWSCRJBSA-N 0 3 249.354 2.541 20 10 BFCDHN CCOc1ccc(O)c(CN2CC=CCC2)c1 ZINC000779159186 585746411 /nfs/dbraw/zinc/74/64/11/585746411.db2.gz BFRXIZWHTDHGEO-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000780575146 585781849 /nfs/dbraw/zinc/78/18/49/585781849.db2.gz AQCLCBGGRMJGGQ-WDEREUQCSA-N 0 3 235.327 2.679 20 10 BFCDHN CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783525369 585836068 /nfs/dbraw/zinc/83/60/68/585836068.db2.gz ILROXVHZJSGEET-SLEUVZQESA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783525377 585836187 /nfs/dbraw/zinc/83/61/87/585836187.db2.gz ILROXVHZJSGEET-YWPYICTPSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(F)ccc1[O-] ZINC000793220278 586014577 /nfs/dbraw/zinc/01/45/77/586014577.db2.gz MTGBVHGGGISOEA-DTORHVGOSA-N 0 3 209.264 2.514 20 10 BFCDHN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000793220278 586014578 /nfs/dbraw/zinc/01/45/78/586014578.db2.gz MTGBVHGGGISOEA-DTORHVGOSA-N 0 3 209.264 2.514 20 10 BFCDHN CC[C@H]([NH2+]CC[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000794811278 586049295 /nfs/dbraw/zinc/04/92/95/586049295.db2.gz WLOFUUWCXAUCSE-YPMHNXCESA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794819888 586049427 /nfs/dbraw/zinc/04/94/27/586049427.db2.gz YEVYGFFBSVYFBE-YPMHNXCESA-N 0 3 235.327 2.530 20 10 BFCDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H]2C)c([O-])c1 ZINC000796525239 586105851 /nfs/dbraw/zinc/10/58/51/586105851.db2.gz CJWLLDZXSHDSSG-MFKMUULPSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC=C(C)C1 ZINC000798090659 586136633 /nfs/dbraw/zinc/13/66/33/586136633.db2.gz WGPGKWKRKBOMFT-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC=C(C)C1 ZINC000798090659 586136634 /nfs/dbraw/zinc/13/66/34/586136634.db2.gz WGPGKWKRKBOMFT-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCC=C(C)C2)c([O-])c1 ZINC000798090711 586136670 /nfs/dbraw/zinc/13/66/70/586136670.db2.gz YOUVQHMAORIDSE-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCC=C(C)C2)c([O-])c1 ZINC000798090711 586136671 /nfs/dbraw/zinc/13/66/71/586136671.db2.gz YOUVQHMAORIDSE-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCN(CC)c1ccc(CN2CC(C)C2)cc1 ZINC000802651709 586307519 /nfs/dbraw/zinc/30/75/19/586307519.db2.gz YJVFZVJGOMNAJA-UHFFFAOYSA-N 0 3 232.371 2.985 20 10 BFCDHN CC[C@H]1CC[C@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000806145357 586405392 /nfs/dbraw/zinc/40/53/92/586405392.db2.gz AQBZYILHTXLPHU-GXFFZTMASA-N 0 3 235.327 2.679 20 10 BFCDHN CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000806145359 586405467 /nfs/dbraw/zinc/40/54/67/586405467.db2.gz AQBZYILHTXLPHU-ZWNOBZJWSA-N 0 3 235.327 2.679 20 10 BFCDHN Cc1cc(C)c(O)c(CN2CC[C@H](F)C2)c1 ZINC000840106276 586447632 /nfs/dbraw/zinc/44/76/32/586447632.db2.gz RHYPDJDWVPRFEG-LBPRGKRZSA-N 0 3 223.291 2.553 20 10 BFCDHN CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OC)cc1[O-] ZINC000809658721 586511089 /nfs/dbraw/zinc/51/10/89/586511089.db2.gz UWDWEGSMNBJYCC-GWCFXTLKSA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1cccc(C[NH+]2CC(C3CC3)C2)c1[O-] ZINC000812775185 586584110 /nfs/dbraw/zinc/58/41/10/586584110.db2.gz IJEHGXLGEXTNJM-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648399 586749997 /nfs/dbraw/zinc/74/99/97/586749997.db2.gz JYXMZYMWKMFFSD-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648399 586749999 /nfs/dbraw/zinc/74/99/99/586749999.db2.gz JYXMZYMWKMFFSD-GHMZBOCLSA-N 0 3 205.301 2.541 20 10 BFCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000816649055 586751459 /nfs/dbraw/zinc/75/14/59/586751459.db2.gz SOQLNWKCIMNWKX-MNOVXSKESA-N 0 3 236.334 2.732 20 10 BFCDHN C[C@@H]1[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000816649057 586752127 /nfs/dbraw/zinc/75/21/27/586752127.db2.gz SOQLNWKCIMNWKX-WDEREUQCSA-N 0 3 236.334 2.732 20 10 BFCDHN CC[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2[O-])CCO1 ZINC000817415754 586802604 /nfs/dbraw/zinc/80/26/04/586802604.db2.gz YANFGQRULZIJKV-KGLIPLIRSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])CCO1 ZINC000817414684 586802643 /nfs/dbraw/zinc/80/26/43/586802643.db2.gz IFAFZWRYFAFGGP-KGLIPLIRSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c([O-])c1 ZINC000818614765 586906887 /nfs/dbraw/zinc/90/68/87/586906887.db2.gz GBZBHDMQCVKITG-MRVWCRGKSA-N 0 3 248.370 2.621 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000822497453 587171890 /nfs/dbraw/zinc/17/18/90/587171890.db2.gz DTWQDKUMHBGRQW-QWHCGFSZSA-N 0 3 235.302 2.810 20 10 BFCDHN CN(C)c1ccc(CN2CC[C@@H]2C2CC2)cc1F ZINC000824649756 587280629 /nfs/dbraw/zinc/28/06/29/587280629.db2.gz FLZOVPVCSFHZKH-CQSZACIVSA-N 0 3 248.345 2.876 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539279 587354394 /nfs/dbraw/zinc/35/43/94/587354394.db2.gz QMUSCSOCUKXBDA-GWCFXTLKSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539279 587354395 /nfs/dbraw/zinc/35/43/95/587354395.db2.gz QMUSCSOCUKXBDA-GWCFXTLKSA-N 0 3 235.302 2.906 20 10 BFCDHN CCC1C[NH+](Cc2cccc(C)c2[O-])C1 ZINC000835073403 587780114 /nfs/dbraw/zinc/78/01/14/587780114.db2.gz ADPFGUFRPQAOJW-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1C ZINC000835088298 587781751 /nfs/dbraw/zinc/78/17/51/587781751.db2.gz RHLHQTYJLMRECL-GXTWGEPZSA-N 0 3 249.354 2.666 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000840764417 587920426 /nfs/dbraw/zinc/92/04/26/587920426.db2.gz PGIOQCUDGJTTMR-XQQFMLRXSA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000840819536 587923055 /nfs/dbraw/zinc/92/30/55/587923055.db2.gz AVOKRSYXMPOCFQ-KYOSRNDESA-N 0 3 249.354 2.919 20 10 BFCDHN COCC[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000840836947 587924624 /nfs/dbraw/zinc/92/46/24/587924624.db2.gz LTJMSRRHRHAUQT-VXGBXAGGSA-N 0 3 237.343 2.715 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840963331 587932366 /nfs/dbraw/zinc/93/23/66/587932366.db2.gz QPVBEZLBPSZHSU-VXGBXAGGSA-N 0 3 241.281 2.902 20 10 BFCDHN C[C@@H]([NH2+]CCc1cscn1)c1ccccc1[O-] ZINC000104449829 587972470 /nfs/dbraw/zinc/97/24/70/587972470.db2.gz QWXGWTILPDHJOY-SNVBAGLBSA-N 0 3 248.351 2.742 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1 ZINC000841759419 587974339 /nfs/dbraw/zinc/97/43/39/587974339.db2.gz NTSQAWHRKGMDJB-JMSVASOKSA-N 0 3 249.354 2.573 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c([O-])c1C ZINC000842929717 588072157 /nfs/dbraw/zinc/07/21/57/588072157.db2.gz RWBGUGWBCKABAD-WXHSDQCUSA-N 0 3 249.354 2.837 20 10 BFCDHN CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846137284 588258396 /nfs/dbraw/zinc/25/83/96/588258396.db2.gz MZCCJRIFGNVGCR-NXEZZACHSA-N 0 3 223.316 2.850 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1[O-] ZINC000846144133 588258416 /nfs/dbraw/zinc/25/84/16/588258416.db2.gz KZQYXOZQEIJTSN-VWYCJHECSA-N 0 3 235.327 2.707 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C2CCCC2)c1[O-] ZINC000846137346 588258513 /nfs/dbraw/zinc/25/85/13/588258513.db2.gz OASWAIQQTZIBLW-JTQLQIEISA-N 0 3 235.327 2.994 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]CC(C)C)c1[O-] ZINC000846138884 588258594 /nfs/dbraw/zinc/25/85/94/588258594.db2.gz WDIQAXASEGFAEI-SNVBAGLBSA-N 0 3 223.316 2.707 20 10 BFCDHN COc1cccc([C@@H](C)NCc2ccoc2)c1O ZINC000846148063 588258685 /nfs/dbraw/zinc/25/86/85/588258685.db2.gz ZFTBIVMAIGTIHJ-SNVBAGLBSA-N 0 3 247.294 2.845 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000846158982 588259045 /nfs/dbraw/zinc/25/90/45/588259045.db2.gz CGZFCFGUFUQYBQ-JTQLQIEISA-N 0 3 247.338 2.994 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCCO1 ZINC000848574369 588399042 /nfs/dbraw/zinc/39/90/42/588399042.db2.gz DEMRPCZCULEWPI-DZGCQCFKSA-N 0 3 249.354 2.830 20 10 BFCDHN CCc1cccc(C[N@H+](C)CC2CC2)c1[O-] ZINC000848881897 588415936 /nfs/dbraw/zinc/41/59/36/588415936.db2.gz JVSBPOAMOANPLP-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1cccc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000848881897 588415937 /nfs/dbraw/zinc/41/59/37/588415937.db2.gz JVSBPOAMOANPLP-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1cccc(CN2CC3(CC3)C2)c1O ZINC000848914757 588420424 /nfs/dbraw/zinc/42/04/24/588420424.db2.gz SHGFOUNZNGXILT-UHFFFAOYSA-N 0 3 217.312 2.550 20 10 BFCDHN CN1CC[C@H](CSc2ncc(Cl)s2)C1 ZINC000850000263 588513509 /nfs/dbraw/zinc/51/35/09/588513509.db2.gz ODPHSGYQKQINGJ-ZETCQYMHSA-N 0 3 248.804 2.840 20 10 BFCDHN CC1(C)[C@H](C[NH2+]Cc2ccccc2[O-])C1(F)F ZINC000850394194 588543879 /nfs/dbraw/zinc/54/38/79/588543879.db2.gz MSAJUYNDHHEQHD-NSHDSACASA-N 0 3 241.281 2.773 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850508859 588553844 /nfs/dbraw/zinc/55/38/44/588553844.db2.gz PDISZHYBCIZRAR-MNOVXSKESA-N 0 3 233.311 2.770 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000850515562 588556109 /nfs/dbraw/zinc/55/61/09/588556109.db2.gz YQWNIVSMLSSJIF-AVGNSLFASA-N 0 3 249.354 2.919 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000850512955 588556147 /nfs/dbraw/zinc/55/61/47/588556147.db2.gz CDRAUWLGGXWTNN-AVGNSLFASA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@@H](O)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000850530110 588557700 /nfs/dbraw/zinc/55/77/00/588557700.db2.gz VTDJLJCTLGNRRG-DGCLKSJQSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1ccc(C)cc1[O-] ZINC000850569903 588560973 /nfs/dbraw/zinc/56/09/73/588560973.db2.gz CUKPNUGYQZRPFM-YUELXQCFSA-N 0 3 249.354 2.919 20 10 BFCDHN C/C=C/CNCc1ccc(N(C)C)cc1C ZINC000862529971 589218157 /nfs/dbraw/zinc/21/81/57/589218157.db2.gz IHHTWPLXJWPQFQ-AATRIKPKSA-N 0 3 218.344 2.727 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)F)c1 ZINC000865654593 589454676 /nfs/dbraw/zinc/45/46/76/589454676.db2.gz RTQMOSCXAIGJJZ-UHFFFAOYSA-N 0 3 211.280 2.538 20 10 BFCDHN Cc1ccc(O)c(CNCC(C)(C)F)c1 ZINC000865654593 589454677 /nfs/dbraw/zinc/45/46/77/589454677.db2.gz RTQMOSCXAIGJJZ-UHFFFAOYSA-N 0 3 211.280 2.538 20 10 BFCDHN F[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000865699251 589457082 /nfs/dbraw/zinc/45/70/82/589457082.db2.gz MRLRRVCIGXIJLH-KGLIPLIRSA-N 0 3 249.329 2.992 20 10 BFCDHN COc1cccc([C@@H](C)NCC(C)(C)F)c1O ZINC000866410127 589491262 /nfs/dbraw/zinc/49/12/62/589491262.db2.gz WRIFCKNWLDKYIR-SECBINFHSA-N 0 3 241.306 2.800 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000866487503 589496757 /nfs/dbraw/zinc/49/67/57/589496757.db2.gz ZJIBDOJUXLABRU-GMTAPVOTSA-N 0 3 237.368 2.937 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000866487502 589496882 /nfs/dbraw/zinc/49/68/82/589496882.db2.gz ZJIBDOJUXLABRU-DCAQKATOSA-N 0 3 237.368 2.937 20 10 BFCDHN CCO[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000124496586 590033388 /nfs/dbraw/zinc/03/33/88/590033388.db2.gz GNYDKHDZTLVVKI-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CCO[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000124496586 590033390 /nfs/dbraw/zinc/03/33/90/590033390.db2.gz GNYDKHDZTLVVKI-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CCCCOCC[NH2+]Cc1cccc(C)c1[O-] ZINC000124747782 590080379 /nfs/dbraw/zinc/08/03/79/590080379.db2.gz WOFHXJSOTUXDMD-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN CO[C@](C)(C[N@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000876616040 590222654 /nfs/dbraw/zinc/22/26/54/590222654.db2.gz PPCOKGWUAFZXKI-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN CO[C@](C)(C[N@@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000876616040 590222655 /nfs/dbraw/zinc/22/26/55/590222655.db2.gz PPCOKGWUAFZXKI-OAHLLOKOSA-N 0 3 249.354 2.639 20 10 BFCDHN CC[C@H]1CN(Cc2ccc(C)cc2O)C[C@H](C)O1 ZINC000876638634 590224996 /nfs/dbraw/zinc/22/49/96/590224996.db2.gz DHJPULZRIBUQIT-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(CN2C[C@H](C)OC(C)(C)C2)c(O)c1 ZINC000876637652 590225294 /nfs/dbraw/zinc/22/52/94/590225294.db2.gz YCNAKYQXSZCLMR-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@H]2C)c([O-])c1 ZINC000876722783 590233556 /nfs/dbraw/zinc/23/35/56/590233556.db2.gz FFEBZPQXHXUACU-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C)c([O-])c1 ZINC000876722783 590233558 /nfs/dbraw/zinc/23/35/58/590233558.db2.gz FFEBZPQXHXUACU-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC=C(C)CC1 ZINC000876749902 590236819 /nfs/dbraw/zinc/23/68/19/590236819.db2.gz NJHHUCKQRQMFHV-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC=C(C)CC1 ZINC000876749902 590236820 /nfs/dbraw/zinc/23/68/20/590236820.db2.gz NJHHUCKQRQMFHV-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1ccc(CN(C)Cc2cccn2C)c(O)c1 ZINC000876758059 590238795 /nfs/dbraw/zinc/23/87/95/590238795.db2.gz FDAUGEMDDMCCIP-UHFFFAOYSA-N 0 3 244.338 2.671 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000876769349 590239883 /nfs/dbraw/zinc/23/98/83/590239883.db2.gz SGTOFEVJRMSTTP-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000876769349 590239885 /nfs/dbraw/zinc/23/98/85/590239885.db2.gz SGTOFEVJRMSTTP-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000876799520 590242456 /nfs/dbraw/zinc/24/24/56/590242456.db2.gz GRNUFHNWISGXID-ZYHUDNBSSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000876799520 590242459 /nfs/dbraw/zinc/24/24/59/590242459.db2.gz GRNUFHNWISGXID-ZYHUDNBSSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[NH2+]CC(C)(C)C)c([O-])c1 ZINC000876970642 590263109 /nfs/dbraw/zinc/26/31/09/590263109.db2.gz WGJHSKCGYZNHAB-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCOC(C)(C)C ZINC000876988017 590265772 /nfs/dbraw/zinc/26/57/72/590265772.db2.gz QDWSDDNTEIWBCL-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC(F)(F)F ZINC000877068291 590277163 /nfs/dbraw/zinc/27/71/63/590277163.db2.gz UPMABEAAVWNHNE-UHFFFAOYSA-N 0 3 233.233 2.743 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H]1CCCO1 ZINC000877123383 590289396 /nfs/dbraw/zinc/28/93/96/590289396.db2.gz JUHLJWZKSKESMM-UKRRQHHQSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc[nH]2)c([O-])c1 ZINC000877123473 590289603 /nfs/dbraw/zinc/28/96/03/590289603.db2.gz LAONVIZXSHZYQA-LLVKDONJSA-N 0 3 230.311 2.880 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000877135250 590291191 /nfs/dbraw/zinc/29/11/91/590291191.db2.gz VSHFSZCWCHZHRR-OLZOCXBDSA-N 0 3 249.354 2.605 20 10 BFCDHN COC1(C)CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000877170279 590296057 /nfs/dbraw/zinc/29/60/57/590296057.db2.gz LTSVRFMHOYXCOA-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])CC1 ZINC000877197961 590300022 /nfs/dbraw/zinc/30/00/22/590300022.db2.gz ZPDGQBXMYPSEHW-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])CC1 ZINC000877197961 590300023 /nfs/dbraw/zinc/30/00/23/590300023.db2.gz ZPDGQBXMYPSEHW-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(O)c1CN(C)Cc1ccncc1 ZINC000877317987 590313049 /nfs/dbraw/zinc/31/30/49/590313049.db2.gz ILAUSNWVUZOBMD-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000877459984 590331299 /nfs/dbraw/zinc/33/12/99/590331299.db2.gz QFBCUFKMBVDIRI-JQWIXIFHSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000877486372 590339200 /nfs/dbraw/zinc/33/92/00/590339200.db2.gz INCWXXIDERRQDB-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000877486372 590339202 /nfs/dbraw/zinc/33/92/02/590339202.db2.gz INCWXXIDERRQDB-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCSC2)c([O-])c1 ZINC000877490156 590340252 /nfs/dbraw/zinc/34/02/52/590340252.db2.gz TYKIETACDWSUBS-NSHDSACASA-N 0 3 237.368 2.543 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H](C)C1 ZINC000877498351 590341809 /nfs/dbraw/zinc/34/18/09/590341809.db2.gz BVNKNQNRSBPPQL-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H](C)C1 ZINC000877498351 590341811 /nfs/dbraw/zinc/34/18/11/590341811.db2.gz BVNKNQNRSBPPQL-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CSC1(C)C ZINC000877504095 590342711 /nfs/dbraw/zinc/34/27/11/590342711.db2.gz GJLAIRKDQSRVEA-GFCCVEGCSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)c([O-])c1 ZINC000877519377 590345678 /nfs/dbraw/zinc/34/56/78/590345678.db2.gz YBAWTWAAQWUSIE-JQWIXIFHSA-N 0 3 237.368 2.542 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CSC[C@H]2C)c([O-])c1 ZINC000877519378 590346000 /nfs/dbraw/zinc/34/60/00/590346000.db2.gz YBAWTWAAQWUSIE-PWSUYJOCSA-N 0 3 237.368 2.542 20 10 BFCDHN Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c([O-])c1 ZINC000877542943 590351754 /nfs/dbraw/zinc/35/17/54/590351754.db2.gz ZLJPNRGVNJYKDG-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)c([O-])c1 ZINC000877542943 590351757 /nfs/dbraw/zinc/35/17/57/590351757.db2.gz ZLJPNRGVNJYKDG-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877548249 590354102 /nfs/dbraw/zinc/35/41/02/590354102.db2.gz UCYCZDXXWLIGME-LBPRGKRZSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@H]1CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877548249 590354105 /nfs/dbraw/zinc/35/41/05/590354105.db2.gz UCYCZDXXWLIGME-LBPRGKRZSA-N 0 3 205.301 2.685 20 10 BFCDHN COC1(CC[NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877549810 590354539 /nfs/dbraw/zinc/35/45/39/590354539.db2.gz BBOVTRUDUKPBHD-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000877574465 590362658 /nfs/dbraw/zinc/36/26/58/590362658.db2.gz KSCCGAIKBOAJAI-KBPBESRZSA-N 0 3 231.339 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000877588116 590368571 /nfs/dbraw/zinc/36/85/71/590368571.db2.gz LVWVZCZWDWWARE-MNOVXSKESA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000877600694 590371621 /nfs/dbraw/zinc/37/16/21/590371621.db2.gz QVLAFINNUBKHJX-ZSBIGDGJSA-N 0 3 217.312 2.589 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000877612138 590373055 /nfs/dbraw/zinc/37/30/55/590373055.db2.gz DERQSKSQBBUMJF-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000877612138 590373057 /nfs/dbraw/zinc/37/30/57/590373057.db2.gz DERQSKSQBBUMJF-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)COCC2CC2)c([O-])c1 ZINC000877613251 590373954 /nfs/dbraw/zinc/37/39/54/590373954.db2.gz BXYZGQSYRZBPDZ-GFCCVEGCSA-N 0 3 249.354 2.605 20 10 BFCDHN COCC1([NH2+]Cc2ccc(C)cc2[O-])CCCC1 ZINC000877620704 590376135 /nfs/dbraw/zinc/37/61/35/590376135.db2.gz LUXGIVRXWMTEQL-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C=CCC1 ZINC000877624290 590377350 /nfs/dbraw/zinc/37/73/50/590377350.db2.gz MHJBFISKGWQLNJ-LLVKDONJSA-N 0 3 203.285 2.509 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCc1ccoc1 ZINC000877631867 590377625 /nfs/dbraw/zinc/37/76/25/590377625.db2.gz XBWUIXRUNIVAEL-UHFFFAOYSA-N 0 3 231.295 2.626 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000877632094 590377930 /nfs/dbraw/zinc/37/79/30/590377930.db2.gz ZTOSKLNMUZYMDD-QWHCGFSZSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000877631940 590378035 /nfs/dbraw/zinc/37/80/35/590378035.db2.gz YAPRNNNNWVACKE-GFCCVEGCSA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000877632089 590378178 /nfs/dbraw/zinc/37/81/78/590378178.db2.gz ZTOSKLNMUZYMDD-CHWSQXEVSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC(C)(C)F ZINC000877630071 590378408 /nfs/dbraw/zinc/37/84/08/590378408.db2.gz YLWCTZKHSGRMKY-UHFFFAOYSA-N 0 3 225.307 2.928 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CC1(F)F ZINC000877646492 590383689 /nfs/dbraw/zinc/38/36/89/590383689.db2.gz JAHVZXOGXWRPGO-JTQLQIEISA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([O-])c1 ZINC000877656896 590386399 /nfs/dbraw/zinc/38/63/99/590386399.db2.gz SBOCBBMMJYQHSP-FJJYHAOUSA-N 0 3 249.354 2.602 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000877656897 590386441 /nfs/dbraw/zinc/38/64/41/590386441.db2.gz SBOCBBMMJYQHSP-OXIQGZBJSA-N 0 3 249.354 2.602 20 10 BFCDHN CO[C@@](C)(C[N@@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877703274 590395494 /nfs/dbraw/zinc/39/54/94/590395494.db2.gz ZJAOIGFSEULVPU-HNNXBMFYSA-N 0 3 247.338 2.523 20 10 BFCDHN CO[C@@](C)(C[N@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877703274 590395496 /nfs/dbraw/zinc/39/54/96/590395496.db2.gz ZJAOIGFSEULVPU-HNNXBMFYSA-N 0 3 247.338 2.523 20 10 BFCDHN CC1(C[N@@H+]2Cc3cccc([O-])c3C2)CC1 ZINC000877703155 590395781 /nfs/dbraw/zinc/39/57/81/590395781.db2.gz TYTPBLUDHOOJHV-UHFFFAOYSA-N 0 3 203.285 2.508 20 10 BFCDHN CC1(C[N@H+]2Cc3cccc([O-])c3C2)CC1 ZINC000877703155 590395784 /nfs/dbraw/zinc/39/57/84/590395784.db2.gz TYTPBLUDHOOJHV-UHFFFAOYSA-N 0 3 203.285 2.508 20 10 BFCDHN CCOc1ccc(O)c(CN2CC(C)(C)C2)c1 ZINC000877718074 590399067 /nfs/dbraw/zinc/39/90/67/590399067.db2.gz WQJKCBMBXUPGMQ-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000877758344 590418337 /nfs/dbraw/zinc/41/83/37/590418337.db2.gz URCGQMDFIFNNHE-LSCVPOLPSA-N 0 3 235.327 2.609 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1[O-] ZINC000877758236 590418605 /nfs/dbraw/zinc/41/86/05/590418605.db2.gz ONNWCARMJGEYKP-DCAQKATOSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@@H](N[C@H](C)c1ccccc1O)c1cnccn1 ZINC000879649498 590841188 /nfs/dbraw/zinc/84/11/88/590841188.db2.gz VDARQJCAKQRWMD-GHMZBOCLSA-N 0 3 243.310 2.594 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCC1CCC1 ZINC000130357247 591458306 /nfs/dbraw/zinc/45/83/06/591458306.db2.gz AYLUIGJNPMFZFC-UHFFFAOYSA-N 0 3 205.301 2.672 20 10 BFCDHN CC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000132518943 591714332 /nfs/dbraw/zinc/71/43/32/591714332.db2.gz KNKIAOPUGSUHNS-SNVBAGLBSA-N 0 3 223.316 2.631 20 10 BFCDHN CC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000132518943 591714333 /nfs/dbraw/zinc/71/43/33/591714333.db2.gz KNKIAOPUGSUHNS-SNVBAGLBSA-N 0 3 223.316 2.631 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000135649171 592030793 /nfs/dbraw/zinc/03/07/93/592030793.db2.gz YLRCKQYFDMOZPK-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000135649171 592030796 /nfs/dbraw/zinc/03/07/96/592030796.db2.gz YLRCKQYFDMOZPK-LBPRGKRZSA-N 0 3 249.354 2.879 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COCC2(C)C)c([O-])c1 ZINC000313022079 634438963 /nfs/dbraw/zinc/43/89/63/634438963.db2.gz FYMMYCIHTLTLGP-SMDDNHRTSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2COCC2(C)C)c([O-])c1 ZINC000313022076 634439382 /nfs/dbraw/zinc/43/93/82/634439382.db2.gz FYMMYCIHTLTLGP-RISCZKNCSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COCC2(C)C)c([O-])c1 ZINC000313022072 634439706 /nfs/dbraw/zinc/43/97/06/634439706.db2.gz FYMMYCIHTLTLGP-FZMZJTMJSA-N 0 3 249.354 2.776 20 10 BFCDHN CC(C)(C)OCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000308717143 631359339 /nfs/dbraw/zinc/35/93/39/631359339.db2.gz BTCOJAVHQKMEHI-GFCCVEGCSA-N 0 3 249.354 2.784 20 10 BFCDHN COCC1(C[N@H+](C)Cc2ccccc2[O-])CCC1 ZINC000291243910 631657189 /nfs/dbraw/zinc/65/71/89/631657189.db2.gz VGZHYPDAVYNVFX-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN COCC1(C[N@@H+](C)Cc2ccccc2[O-])CCC1 ZINC000291243910 631657197 /nfs/dbraw/zinc/65/71/97/631657197.db2.gz VGZHYPDAVYNVFX-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN Cc1ccc(CNCc2cccc(C)c2O)o1 ZINC000158755158 632485115 /nfs/dbraw/zinc/48/51/15/632485115.db2.gz MRILUFPPZSUTJW-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCSC1)CC2 ZINC000310344659 632725726 /nfs/dbraw/zinc/72/57/26/632725726.db2.gz OWPDZLOTLDSINK-NWDGAFQWSA-N 0 3 249.379 2.865 20 10 BFCDHN CSC[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179581870 632745939 /nfs/dbraw/zinc/74/59/39/632745939.db2.gz WTQMHGCANWTQKQ-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN CSC[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179581870 632745941 /nfs/dbraw/zinc/74/59/41/632745941.db2.gz WTQMHGCANWTQKQ-GFCCVEGCSA-N 0 3 237.368 2.720 20 10 BFCDHN CC[C@H]([NH2+]CC(C)(C)OC)c1ccccc1[O-] ZINC000158001905 632926000 /nfs/dbraw/zinc/92/60/00/632926000.db2.gz QMYLMMSSGOWSBR-LBPRGKRZSA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1oncc1CN[C@H](C)c1ccccc1O ZINC000879648871 635871809 /nfs/dbraw/zinc/87/18/09/635871809.db2.gz DJYXODXIXASBHY-SECBINFHSA-N 0 3 232.283 2.539 20 10 BFCDHN Cc1cccc(CNCc2ccoc2)c1O ZINC000162526781 633032140 /nfs/dbraw/zinc/03/21/40/633032140.db2.gz PJIQXUWEDLEVAK-UHFFFAOYSA-N 0 3 217.268 2.583 20 10 BFCDHN COC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000311051973 633060942 /nfs/dbraw/zinc/06/09/42/633060942.db2.gz IKLGWTHZJWRRCP-LBPRGKRZSA-N 0 3 247.338 2.538 20 10 BFCDHN C[N@H+](CCC1CC1)Cc1cc(F)ccc1[O-] ZINC000180284239 633886906 /nfs/dbraw/zinc/88/69/06/633886906.db2.gz SQXXOEFCYJVZAB-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN C[N@@H+](CCC1CC1)Cc1cc(F)ccc1[O-] ZINC000180284239 633886909 /nfs/dbraw/zinc/88/69/09/633886909.db2.gz SQXXOEFCYJVZAB-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309865779 634032723 /nfs/dbraw/zinc/03/27/23/634032723.db2.gz ONOGOZSJBCOHLR-XHVZSJERSA-N 0 3 237.368 2.937 20 10 BFCDHN CC[C@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000322987085 636884918 /nfs/dbraw/zinc/88/49/18/636884918.db2.gz CBVHXLCTKOTERI-SMDDNHRTSA-N 0 3 237.343 2.858 20 10 BFCDHN CC(C)COCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000167439906 640721622 /nfs/dbraw/zinc/72/16/22/640721622.db2.gz GCKVYHJYALBQAT-LBPRGKRZSA-N 0 3 237.343 2.715 20 10 BFCDHN C[C@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565685 640775499 /nfs/dbraw/zinc/77/54/99/640775499.db2.gz IVZMTYOUYJYNAJ-UWVGGRQHSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565685 640775502 /nfs/dbraw/zinc/77/55/02/640775502.db2.gz IVZMTYOUYJYNAJ-UWVGGRQHSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCC1 ZINC000226618218 640779965 /nfs/dbraw/zinc/77/99/65/640779965.db2.gz XGZSWRWPOXPKJH-VIFPVBQESA-N 0 3 223.291 2.810 20 10 BFCDHN C[C@H]([NH2+]Cc1ccoc1)c1cc(F)ccc1[O-] ZINC000168737978 640823036 /nfs/dbraw/zinc/82/30/36/640823036.db2.gz XYBGZQSACPIDTK-VIFPVBQESA-N 0 3 235.258 2.975 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)c([O-])c1 ZINC000228069889 640858764 /nfs/dbraw/zinc/85/87/64/640858764.db2.gz ASOOBPJROJBMMG-UTUOFQBUSA-N 0 3 237.343 2.511 20 10 BFCDHN C[C@@]1(C[NH2+]Cc2ccccc2[O-])CCCS1 ZINC000087620344 640948187 /nfs/dbraw/zinc/94/81/87/640948187.db2.gz NYVJVNOWEBOQMX-ZDUSSCGKSA-N 0 3 237.368 2.768 20 10 BFCDHN C[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000230406099 641050990 /nfs/dbraw/zinc/05/09/90/641050990.db2.gz CTKHLNMSDBWQQG-VXGBXAGGSA-N 0 3 219.328 2.918 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2)c([O-])c1 ZINC000230672541 641077272 /nfs/dbraw/zinc/07/72/72/641077272.db2.gz VUONKPAGCVNYDA-OLZOCXBDSA-N 0 3 249.354 2.778 20 10 BFCDHN CCCN(CCF)Cc1ccccc1O ZINC000759336805 641420163 /nfs/dbraw/zinc/42/01/63/641420163.db2.gz DKOPDEJKWDIGQP-UHFFFAOYSA-N 0 3 211.280 2.574 20 10 BFCDHN CCC[N@H+](CCF)Cc1ccccc1[O-] ZINC000759336805 641420166 /nfs/dbraw/zinc/42/01/66/641420166.db2.gz DKOPDEJKWDIGQP-UHFFFAOYSA-N 0 3 211.280 2.574 20 10 BFCDHN CCC[N@@H+](CCF)Cc1ccccc1[O-] ZINC000759336805 641420172 /nfs/dbraw/zinc/42/01/72/641420172.db2.gz DKOPDEJKWDIGQP-UHFFFAOYSA-N 0 3 211.280 2.574 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1[O-] ZINC000157610891 641619972 /nfs/dbraw/zinc/61/99/72/641619972.db2.gz FOZBGNCVAOUENY-RWMBFGLXSA-N 0 3 248.370 2.526 20 10 BFCDHN CCOc1ccc(C[NH2+]C[C@@H]2CC2(C)C)c([O-])c1 ZINC000732821223 641872646 /nfs/dbraw/zinc/87/26/46/641872646.db2.gz YLCNRZRBZBRIMB-LBPRGKRZSA-N 0 3 249.354 2.927 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])CC1(O)CCCCC1 ZINC000305249580 642650462 /nfs/dbraw/zinc/65/04/62/642650462.db2.gz UQYRLKBUZLCRLB-UHFFFAOYSA-N 0 3 249.354 2.519 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])CC1(O)CCCCC1 ZINC000305249580 642650469 /nfs/dbraw/zinc/65/04/69/642650469.db2.gz UQYRLKBUZLCRLB-UHFFFAOYSA-N 0 3 249.354 2.519 20 10 BFCDHN C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000179873192 642750377 /nfs/dbraw/zinc/75/03/77/642750377.db2.gz IJEMGKIPMDIQCF-JTQLQIEISA-N 0 3 223.291 2.906 20 10 BFCDHN C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000179873192 642750390 /nfs/dbraw/zinc/75/03/90/642750390.db2.gz IJEMGKIPMDIQCF-JTQLQIEISA-N 0 3 223.291 2.906 20 10 BFCDHN C[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1[O-] ZINC000183480571 643134047 /nfs/dbraw/zinc/13/40/47/643134047.db2.gz SIPDKLWTCPJXFA-NSHDSACASA-N 0 3 243.306 2.949 20 10 BFCDHN CC[C@@H]([NH2+]CCSC)c1ccccc1[O-] ZINC000068994796 643436628 /nfs/dbraw/zinc/43/66/28/643436628.db2.gz JWJFPJVLQIDUFM-LLVKDONJSA-N 0 3 225.357 2.796 20 10 BFCDHN CSCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000068997296 643437382 /nfs/dbraw/zinc/43/73/82/643437382.db2.gz UOGZZSFKSOCDLW-JTQLQIEISA-N 0 3 225.357 2.796 20 10 BFCDHN CCC[C@@H](C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000083365152 643442277 /nfs/dbraw/zinc/44/22/77/643442277.db2.gz WBKXVLOKWMVKPW-LLVKDONJSA-N 0 3 237.343 2.927 20 10 BFCDHN COC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000086682464 644163191 /nfs/dbraw/zinc/16/31/91/644163191.db2.gz AZUSQQPJWSJVSE-WCQYABFASA-N 0 3 237.343 2.714 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC(C1CC1)C1CC1 ZINC000088455462 644522483 /nfs/dbraw/zinc/52/24/83/644522483.db2.gz HIBRVFCYOWUSCW-UHFFFAOYSA-N 0 3 231.339 2.918 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CC2)c([O-])c1 ZINC000756740010 644629617 /nfs/dbraw/zinc/62/96/17/644629617.db2.gz PKUXNNOGUZSWRT-FZMZJTMJSA-N 0 3 249.354 2.512 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000769327583 644682112 /nfs/dbraw/zinc/68/21/12/644682112.db2.gz CQACHYXCXCJLJY-CYBMUJFWSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769327583 644682115 /nfs/dbraw/zinc/68/21/15/644682115.db2.gz CQACHYXCXCJLJY-CYBMUJFWSA-N 0 3 247.338 2.775 20 10 BFCDHN C[C@H]([NH2+]Cc1cccnc1)c1cc(F)ccc1[O-] ZINC000094616921 644720716 /nfs/dbraw/zinc/72/07/16/644720716.db2.gz FDVYNBCCKFGGKP-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN C[C@H]1CN(Cc2ccccc2O)C2(CCC2)CO1 ZINC000846067016 645398088 /nfs/dbraw/zinc/39/80/88/645398088.db2.gz LMIMPUWWNDATGV-LBPRGKRZSA-N 0 3 247.338 2.536 20 10 BFCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C2(CCC2)CO1 ZINC000846067016 645398096 /nfs/dbraw/zinc/39/80/96/645398096.db2.gz LMIMPUWWNDATGV-LBPRGKRZSA-N 0 3 247.338 2.536 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C2(CCC2)CO1 ZINC000846067016 645398101 /nfs/dbraw/zinc/39/81/01/645398101.db2.gz LMIMPUWWNDATGV-LBPRGKRZSA-N 0 3 247.338 2.536 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000877628218 645803978 /nfs/dbraw/zinc/80/39/78/645803978.db2.gz FXUUFTOMZYUTRY-GFCCVEGCSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000877650453 645806055 /nfs/dbraw/zinc/80/60/55/645806055.db2.gz RGIVRVPNWDCPSL-JHJVBQTASA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCF)c1[O-] ZINC000380319112 712883249 /nfs/dbraw/zinc/88/32/49/712883249.db2.gz JWXHCARHGCPEHP-QMMMGPOBSA-N 0 3 231.698 2.974 20 10 BFCDHN CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000721207947 712898782 /nfs/dbraw/zinc/89/87/82/712898782.db2.gz PHXPXLHALUDQNA-UONOGXRCSA-N 0 3 249.354 2.830 20 10 BFCDHN CSC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381549296 710654359 /nfs/dbraw/zinc/65/43/59/710654359.db2.gz LXRARZFZBKUOIG-ONGXEEELSA-N 0 3 237.368 2.721 20 10 BFCDHN CC1(C)CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000380657245 712902283 /nfs/dbraw/zinc/90/22/83/712902283.db2.gz UJKSUTHFIYAETK-GFCCVEGCSA-N 0 3 223.291 2.810 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@H](C)O ZINC000386891604 711038327 /nfs/dbraw/zinc/03/83/27/711038327.db2.gz NNCOKCVQKWCDKB-UHTWSYAYSA-N 0 3 237.343 2.592 20 10 BFCDHN C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1[O-] ZINC000396553462 711353382 /nfs/dbraw/zinc/35/33/82/711353382.db2.gz UIMARZXNBPRQFT-WDEREUQCSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@@H](O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000398536207 711411858 /nfs/dbraw/zinc/41/18/58/711411858.db2.gz ZJEAQUGRKUCWTA-OLZOCXBDSA-N 0 3 249.354 2.520 20 10 BFCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccn1 ZINC000391176746 711137185 /nfs/dbraw/zinc/13/71/85/711137185.db2.gz GXHNILSUQAWPIH-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1[O-] ZINC000397314346 711381038 /nfs/dbraw/zinc/38/10/38/711381038.db2.gz SYKPEUDUKRXBNY-ZFWWWQNUSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1[O-] ZINC000397314344 711381396 /nfs/dbraw/zinc/38/13/96/711381396.db2.gz SYKPEUDUKRXBNY-UKRRQHHQSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000397793566 711391288 /nfs/dbraw/zinc/39/12/88/711391288.db2.gz ATEJFFINCRDFAE-USWWRNFRSA-N 0 3 249.379 2.721 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000724015525 711556566 /nfs/dbraw/zinc/55/65/66/711556566.db2.gz VIFGBFUYRPUYKQ-ZIAGYGMSSA-N 0 3 249.354 2.687 20 10 BFCDHN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000388267788 711859840 /nfs/dbraw/zinc/85/98/40/711859840.db2.gz DIDTWKHXNARCIC-ZETOZRRWSA-N 0 3 249.354 2.856 20 10 BFCDHN CN(C)c1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000180173474 711887304 /nfs/dbraw/zinc/88/73/04/711887304.db2.gz WBSGSPUFWGMJQN-UHFFFAOYSA-N 0 3 243.354 2.713 20 10 BFCDHN Oc1ccccc1CNCc1ccc(Cl)cn1 ZINC000703871581 712091981 /nfs/dbraw/zinc/09/19/81/712091981.db2.gz KIPPWMJAIUQPBZ-UHFFFAOYSA-N 0 3 248.713 2.730 20 10 BFCDHN Cc1ncccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000705539467 712133039 /nfs/dbraw/zinc/13/30/39/712133039.db2.gz UKQWQVLTWHANRA-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccccc1[O-] ZINC000708724526 712197423 /nfs/dbraw/zinc/19/74/23/712197423.db2.gz BPGURHFKDZNCQB-SCRDCRAPSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000708729566 712198030 /nfs/dbraw/zinc/19/80/30/712198030.db2.gz ZBVYVMKMCMKZTL-UPJWGTAASA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000709715036 712216581 /nfs/dbraw/zinc/21/65/81/712216581.db2.gz MQKMDAXIHLDCJX-ZYHUDNBSSA-N 0 3 237.368 2.766 20 10 BFCDHN C[C@H]([NH2+]CCc1ccns1)c1ccccc1[O-] ZINC000709870776 712230711 /nfs/dbraw/zinc/23/07/11/712230711.db2.gz OUODWDQXGYGBHJ-JTQLQIEISA-N 0 3 248.351 2.742 20 10 BFCDHN COC(C)(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000711877618 712337471 /nfs/dbraw/zinc/33/74/71/712337471.db2.gz SYXYVKZXAVISGO-GFCCVEGCSA-N 0 3 249.354 2.784 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(F)ccc1[O-] ZINC000715321194 712521442 /nfs/dbraw/zinc/52/14/42/712521442.db2.gz OULOCLSPDRVBEC-QPUJVOFHSA-N 0 3 221.275 2.734 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1[O-] ZINC000715369211 712521719 /nfs/dbraw/zinc/52/17/19/712521719.db2.gz IASINILKQVEVEL-BXKDBHETSA-N 0 3 203.285 2.595 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CCCS1 ZINC000715593736 712527646 /nfs/dbraw/zinc/52/76/46/712527646.db2.gz NVQUXVLEZDMBQC-GFCCVEGCSA-N 0 3 237.368 2.768 20 10 BFCDHN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000716576400 712564204 /nfs/dbraw/zinc/56/42/04/712564204.db2.gz ILTBUASZWYBMBQ-SAXRGWBVSA-N 0 3 231.339 2.774 20 10 BFCDHN CCC[C@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000716798847 712574779 /nfs/dbraw/zinc/57/47/79/712574779.db2.gz KDDSYPZRMIOAEQ-VXGBXAGGSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000716896674 712581200 /nfs/dbraw/zinc/58/12/00/712581200.db2.gz XALMMHKSJHWGTL-RTXFEEFZSA-N 0 3 249.354 2.519 20 10 BFCDHN CC[C@H]([NH2+][C@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717616186 712662588 /nfs/dbraw/zinc/66/25/88/712662588.db2.gz VZAJZOATZNAKMV-UONOGXRCSA-N 0 3 249.354 2.594 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCC=CO1)CC2 ZINC000380008689 712669684 /nfs/dbraw/zinc/66/96/84/712669684.db2.gz FVIDJXMFHRTRRI-QWHCGFSZSA-N 0 3 245.322 2.662 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCC=CO1)CC2 ZINC000380008688 712669710 /nfs/dbraw/zinc/66/97/10/712669710.db2.gz FVIDJXMFHRTRRI-OLZOCXBDSA-N 0 3 245.322 2.662 20 10 BFCDHN COC(C)(C)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000720201367 712829134 /nfs/dbraw/zinc/82/91/34/712829134.db2.gz KIAPSARXNLADEA-CMPLNLGQSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001140948008 960747591 /nfs/dbraw/zinc/74/75/91/960747591.db2.gz PCKZBEONJPGBFZ-UHFFFAOYSA-N 0 3 217.312 2.687 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001140948008 960747606 /nfs/dbraw/zinc/74/76/06/960747606.db2.gz PCKZBEONJPGBFZ-UHFFFAOYSA-N 0 3 217.312 2.687 20 10 BFCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C2(CC2)C1 ZINC001203558439 967007081 /nfs/dbraw/zinc/00/70/81/967007081.db2.gz HRLFOZRADSIFBV-LLVKDONJSA-N 0 3 217.312 2.767 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C2(CC2)C1 ZINC001203558439 967007098 /nfs/dbraw/zinc/00/70/98/967007098.db2.gz HRLFOZRADSIFBV-LLVKDONJSA-N 0 3 217.312 2.767 20 10 BFCDHN CCSC[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001173311030 975219713 /nfs/dbraw/zinc/21/97/13/975219713.db2.gz JJLVHOFPDNZICD-NSHDSACASA-N 0 3 239.384 2.966 20 10 BFCDHN CCSC[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001173311030 975219722 /nfs/dbraw/zinc/21/97/22/975219722.db2.gz JJLVHOFPDNZICD-NSHDSACASA-N 0 3 239.384 2.966 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001346029253 980732062 /nfs/dbraw/zinc/73/20/62/980732062.db2.gz MHBHESWWCVECCJ-NWDGAFQWSA-N 0 3 223.291 2.763 20 10 BFCDHN CCSC1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000691805110 983784824 /nfs/dbraw/zinc/78/48/24/983784824.db2.gz LCHNDCJNQFZWPM-UHFFFAOYSA-N 0 3 237.368 2.768 20 10 BFCDHN CCc1cc(Nc2c(F)ccc(C)c2O)ccn1 ZINC001215738413 970824092 /nfs/dbraw/zinc/82/40/92/970824092.db2.gz CNKVZVFJLKFRGE-UHFFFAOYSA-N 0 3 246.285 2.963 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403630940 970999243 /nfs/dbraw/zinc/99/92/43/970999243.db2.gz FDAQXSHJWUQKGQ-RAIGVLPGSA-N 0 3 217.312 2.670 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403694216 971019819 /nfs/dbraw/zinc/01/98/19/971019819.db2.gz YVLVFIGPWOAIFP-YHWZYXNKSA-N 0 3 249.379 2.908 20 10 BFCDHN CCC[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001257323534 971223960 /nfs/dbraw/zinc/22/39/60/971223960.db2.gz CTAODJSQWSUEKR-LLVKDONJSA-N 0 3 219.328 2.939 20 10 BFCDHN CCC[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001257323534 971223969 /nfs/dbraw/zinc/22/39/69/971223969.db2.gz CTAODJSQWSUEKR-LLVKDONJSA-N 0 3 219.328 2.939 20 10 BFCDHN CC1(C)[C@@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])C[C@@H]21 ZINC001170727476 971664874 /nfs/dbraw/zinc/66/48/74/971664874.db2.gz MTILPDTZDCSNIF-ZSBIGDGJSA-N 0 3 247.338 2.622 20 10 BFCDHN CC(C)O[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000404728106 959328954 /nfs/dbraw/zinc/32/89/54/959328954.db2.gz YGJOAUPXSXUJFX-CQSZACIVSA-N 0 3 249.354 2.782 20 10 BFCDHN CC(C)O[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000404728106 959328971 /nfs/dbraw/zinc/32/89/71/959328971.db2.gz YGJOAUPXSXUJFX-CQSZACIVSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CC2)c([O-])c1 ZINC000157518270 959372927 /nfs/dbraw/zinc/37/29/27/959372927.db2.gz WADDTZMPXHQHPO-GFCCVEGCSA-N 0 3 249.354 2.514 20 10 BFCDHN Cc1ccc(O)c(CN2CCC(=O)[C@@H](C)CC2)c1 ZINC001140619625 960461032 /nfs/dbraw/zinc/46/10/32/960461032.db2.gz IXNPGMIOCIYUMK-LBPRGKRZSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001140948452 960749789 /nfs/dbraw/zinc/74/97/89/960749789.db2.gz IOKIEIKHCKYIED-CHWSQXEVSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc(O)c(CN2CCC[C@H](F)C2)c1 ZINC000689887767 963880291 /nfs/dbraw/zinc/88/02/91/963880291.db2.gz VXZUUUBDBJYTDG-LBPRGKRZSA-N 0 3 223.291 2.635 20 10 BFCDHN CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000379919130 964925550 /nfs/dbraw/zinc/92/55/50/964925550.db2.gz GBESBTWEGLGKSM-VXNVDRBHSA-N 0 3 209.264 2.689 20 10 BFCDHN C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000179877798 966426784 /nfs/dbraw/zinc/42/67/84/966426784.db2.gz OBEMWBGRSHAQBM-UTUOFQBUSA-N 0 3 249.354 2.999 20 10 BFCDHN Oc1cccc2c1CN(Cc1ccco1)CC2 ZINC001203284290 966598150 /nfs/dbraw/zinc/59/81/50/966598150.db2.gz VKOCTFKDJZJNOI-UHFFFAOYSA-N 0 3 229.279 2.544 20 10 BFCDHN COc1ccc(C[N@@H+]2CCCC23CC3)c([O-])c1 ZINC001203621270 966710153 /nfs/dbraw/zinc/71/01/53/966710153.db2.gz QRXYNNHAFVQPKD-UHFFFAOYSA-N 0 3 233.311 2.529 20 10 BFCDHN COc1ccc(C[N@H+]2CCCC23CC3)c([O-])c1 ZINC001203621270 966710164 /nfs/dbraw/zinc/71/01/64/966710164.db2.gz QRXYNNHAFVQPKD-UHFFFAOYSA-N 0 3 233.311 2.529 20 10 BFCDHN COc1ccc(C[N@H+](CC2CC2)C2CC2)c([O-])c1 ZINC001203634355 966717140 /nfs/dbraw/zinc/71/71/40/966717140.db2.gz ASQKIQPCMLTCEZ-UHFFFAOYSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc(C[N@@H+](CC2CC2)C2CC2)c([O-])c1 ZINC001203634355 966717150 /nfs/dbraw/zinc/71/71/50/966717150.db2.gz ASQKIQPCMLTCEZ-UHFFFAOYSA-N 0 3 247.338 2.775 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001204278200 966957470 /nfs/dbraw/zinc/95/74/70/966957470.db2.gz XRIJPCSIPAKFJA-UHFFFAOYSA-N 0 3 247.338 2.864 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC001204278200 966957479 /nfs/dbraw/zinc/95/74/79/966957479.db2.gz XRIJPCSIPAKFJA-UHFFFAOYSA-N 0 3 247.338 2.864 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1ccccc1[O-] ZINC000694335564 967802447 /nfs/dbraw/zinc/80/24/47/967802447.db2.gz UZFSTBIJEZKZCZ-BNOWGMLFSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]([NH2+][C@H]1C=CCC1)c1ccccc1[O-] ZINC000698334309 968337209 /nfs/dbraw/zinc/33/72/09/968337209.db2.gz VMIUVLVXRIBSOA-MNOVXSKESA-N 0 3 203.285 2.761 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC001207471916 968793923 /nfs/dbraw/zinc/79/39/23/968793923.db2.gz WXISMIOUKNPLBI-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC001207471916 968793929 /nfs/dbraw/zinc/79/39/29/968793929.db2.gz WXISMIOUKNPLBI-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC001207471915 968794957 /nfs/dbraw/zinc/79/49/57/968794957.db2.gz WXISMIOUKNPLBI-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC001207471915 968794966 /nfs/dbraw/zinc/79/49/66/968794966.db2.gz WXISMIOUKNPLBI-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN CCOC(C)(C)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209078229 969351120 /nfs/dbraw/zinc/35/11/20/969351120.db2.gz YELLSVJLDIJFQH-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN CCOC(C)(C)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001209078229 969351126 /nfs/dbraw/zinc/35/11/26/969351126.db2.gz YELLSVJLDIJFQH-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1C ZINC001209430011 969495610 /nfs/dbraw/zinc/49/56/10/969495610.db2.gz IUCRTDOZBVFWFQ-YPMHNXCESA-N 0 3 219.328 2.870 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1C ZINC001209430011 969495617 /nfs/dbraw/zinc/49/56/17/969495617.db2.gz IUCRTDOZBVFWFQ-YPMHNXCESA-N 0 3 219.328 2.870 20 10 BFCDHN Cc1ccc(CN2CCc3cccc(O)c3C2)[nH]1 ZINC001209579863 969563044 /nfs/dbraw/zinc/56/30/44/969563044.db2.gz YFCWHOYLLADYDK-UHFFFAOYSA-N 0 3 242.322 2.587 20 10 BFCDHN CC[C@H]([NH2+]C1(C)CC1)c1ccccc1[O-] ZINC001255176268 969992820 /nfs/dbraw/zinc/99/28/20/969992820.db2.gz UGSGRCPQDJMWND-NSHDSACASA-N 0 3 205.301 2.985 20 10 BFCDHN C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150937 970451863 /nfs/dbraw/zinc/45/18/63/970451863.db2.gz PXDYXPPAPAXMON-WCQYABFASA-N 0 3 231.339 2.939 20 10 BFCDHN C[C@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150937 970451865 /nfs/dbraw/zinc/45/18/65/970451865.db2.gz PXDYXPPAPAXMON-WCQYABFASA-N 0 3 231.339 2.939 20 10 BFCDHN CCOc1ccc(C[NH2+]C/C=C/C2CC2)c([O-])c1 ZINC001327867944 972767982 /nfs/dbraw/zinc/76/79/82/972767982.db2.gz HEDJYMAKXDZNSO-ONEGZZNKSA-N 0 3 247.338 2.847 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231316 974473568 /nfs/dbraw/zinc/47/35/68/974473568.db2.gz QNUPXWWXAGIMGJ-AGUYFDCRSA-N 0 3 247.338 2.534 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231316 974473569 /nfs/dbraw/zinc/47/35/69/974473569.db2.gz QNUPXWWXAGIMGJ-AGUYFDCRSA-N 0 3 247.338 2.534 20 10 BFCDHN Cc1ccc(O)c(Nc2ccncc2C)c1 ZINC001174539119 976828931 /nfs/dbraw/zinc/82/89/31/976828931.db2.gz DUPHJBMYEFRHQV-UHFFFAOYSA-N 0 3 214.268 2.570 20 10 BFCDHN Cc1cccc(CN2CCC(=O)[C@H](C)CC2)c1O ZINC001231590823 977641497 /nfs/dbraw/zinc/64/14/97/977641497.db2.gz IKEMKOMZKUELBI-LLVKDONJSA-N 0 3 247.338 2.502 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001204276992 978927513 /nfs/dbraw/zinc/92/75/13/978927513.db2.gz VDUBMMRYMXDINA-NWDGAFQWSA-N 0 3 247.338 2.720 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001204276992 978927529 /nfs/dbraw/zinc/92/75/29/978927529.db2.gz VDUBMMRYMXDINA-NWDGAFQWSA-N 0 3 247.338 2.720 20 10 BFCDHN [O-]c1cc(O)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC001204280714 978947102 /nfs/dbraw/zinc/94/71/02/978947102.db2.gz NNVUAVSDSKTJAM-UHFFFAOYSA-N 0 3 247.338 2.864 20 10 BFCDHN CCc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001236786897 979727355 /nfs/dbraw/zinc/72/73/55/979727355.db2.gz RWNGWZIXKQATSX-IHRRRGAJSA-N 0 3 249.329 2.744 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2C)c([O-])c1 ZINC001236782506 979728492 /nfs/dbraw/zinc/72/84/92/979728492.db2.gz BUFDEXHIVYQFPA-LLVKDONJSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@H]2C)c([O-])c1 ZINC001236782506 979728503 /nfs/dbraw/zinc/72/85/03/979728503.db2.gz BUFDEXHIVYQFPA-LLVKDONJSA-N 0 3 219.328 2.939 20 10 BFCDHN CCCC[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236819565 979746922 /nfs/dbraw/zinc/74/69/22/979746922.db2.gz WQKFHTUXUSCIDU-UHFFFAOYSA-N 0 3 237.343 2.941 20 10 BFCDHN CCCC[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236819565 979746934 /nfs/dbraw/zinc/74/69/34/979746934.db2.gz WQKFHTUXUSCIDU-UHFFFAOYSA-N 0 3 237.343 2.941 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC001236817709 979747678 /nfs/dbraw/zinc/74/76/78/979747678.db2.gz GOYBNIPSIJPCRY-LLVKDONJSA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC001236817709 979747685 /nfs/dbraw/zinc/74/76/85/979747685.db2.gz GOYBNIPSIJPCRY-LLVKDONJSA-N 0 3 249.354 2.941 20 10 BFCDHN CC(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001237049740 979812106 /nfs/dbraw/zinc/81/21/06/979812106.db2.gz SGGNBPXMACDFRL-CQSZACIVSA-N 0 3 249.354 2.736 20 10 BFCDHN CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001237049740 979812107 /nfs/dbraw/zinc/81/21/07/979812107.db2.gz SGGNBPXMACDFRL-CQSZACIVSA-N 0 3 249.354 2.736 20 10 BFCDHN COC[C@@H]1CCCC[N@@H+]1Cc1c(C)cccc1[O-] ZINC001237484871 979912487 /nfs/dbraw/zinc/91/24/87/979912487.db2.gz JFVORKTVPCEEIM-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN COC[C@@H]1CCCC[N@H+]1Cc1c(C)cccc1[O-] ZINC001237484871 979912497 /nfs/dbraw/zinc/91/24/97/979912497.db2.gz JFVORKTVPCEEIM-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237491154 979918637 /nfs/dbraw/zinc/91/86/37/979918637.db2.gz HSADBFQFJATDDD-GVXVVHGQSA-N 0 3 235.302 2.633 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237491154 979918648 /nfs/dbraw/zinc/91/86/48/979918648.db2.gz HSADBFQFJATDDD-GVXVVHGQSA-N 0 3 235.302 2.633 20 10 BFCDHN Cc1cc(F)cc(CN2CC(C)(C)C2)c1O ZINC001238058457 980132334 /nfs/dbraw/zinc/13/23/34/980132334.db2.gz SDVKXRXCAVWXFZ-UHFFFAOYSA-N 0 3 223.291 2.682 20 10 BFCDHN CC[N@H+](CCSC)Cc1c(C)cccc1[O-] ZINC000877608164 983955633 /nfs/dbraw/zinc/95/56/33/983955633.db2.gz NZOOJGYZISKEAK-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CC[N@@H+](CCSC)Cc1c(C)cccc1[O-] ZINC000877608164 983955646 /nfs/dbraw/zinc/95/56/46/983955646.db2.gz NZOOJGYZISKEAK-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC001255546737 987003399 /nfs/dbraw/zinc/00/33/99/987003399.db2.gz QZXYBIPCKBHZGQ-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC001255546737 987003413 /nfs/dbraw/zinc/00/34/13/987003413.db2.gz QZXYBIPCKBHZGQ-CYBMUJFWSA-N 0 3 249.354 2.782 20 10 BFCDHN COC[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001255562628 987015206 /nfs/dbraw/zinc/01/52/06/987015206.db2.gz DXOOJFUUFLSITA-NSHDSACASA-N 0 3 245.322 2.670 20 10 BFCDHN COc1cc(C)c(C[NH+]2CC(C(C)C)C2)c([O-])c1 ZINC001308719762 991106928 /nfs/dbraw/zinc/10/69/28/991106928.db2.gz FPJXOIDHTNYBPV-UHFFFAOYSA-N 0 3 249.354 2.797 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)[C@H](C)C2CC2)c([O-])c1 ZINC001308769110 991125124 /nfs/dbraw/zinc/12/51/24/991125124.db2.gz FMAWTJPMTUUMQW-LLVKDONJSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)[C@H](C)C2CC2)c([O-])c1 ZINC001308769110 991125127 /nfs/dbraw/zinc/12/51/27/991125127.db2.gz FMAWTJPMTUUMQW-LLVKDONJSA-N 0 3 249.354 2.940 20 10 BFCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C2(CC2)C1 ZINC001140060430 991507127 /nfs/dbraw/zinc/50/71/27/991507127.db2.gz VQRDZIXIDALVAT-JTQLQIEISA-N 0 3 235.302 2.906 20 10 BFCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C2(CC2)C1 ZINC001140060430 991507140 /nfs/dbraw/zinc/50/71/40/991507140.db2.gz VQRDZIXIDALVAT-JTQLQIEISA-N 0 3 235.302 2.906 20 10 BFCDHN C[C@@]1(CF)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057594 991508744 /nfs/dbraw/zinc/50/87/44/991508744.db2.gz HIAGCEOHFBDUIJ-ZDUSSCGKSA-N 0 3 241.281 2.713 20 10 BFCDHN C[C@@]1(CF)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057594 991508755 /nfs/dbraw/zinc/50/87/55/991508755.db2.gz HIAGCEOHFBDUIJ-ZDUSSCGKSA-N 0 3 241.281 2.713 20 10 BFCDHN Cc1ccc(C)c(CN2CCC[C@@H](F)C2)c1O ZINC001140179724 991551773 /nfs/dbraw/zinc/55/17/73/991551773.db2.gz NNJTVYMUAGARBW-GFCCVEGCSA-N 0 3 237.318 2.943 20 10 BFCDHN Cc1ccc(C)c(CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC001140180704 991551937 /nfs/dbraw/zinc/55/19/37/991551937.db2.gz OGNZSRQUKUAVMM-STQMWFEESA-N 0 3 249.354 2.618 20 10 BFCDHN CC(C)SCC[N@@H+]1Cc2cccc([O-])c2C1 ZINC001560977876 991677587 /nfs/dbraw/zinc/67/75/87/991677587.db2.gz IMQYDVAWRDWUJS-UHFFFAOYSA-N 0 3 237.368 2.849 20 10 BFCDHN CC(C)SCC[N@H+]1Cc2cccc([O-])c2C1 ZINC001560977876 991677593 /nfs/dbraw/zinc/67/75/93/991677593.db2.gz IMQYDVAWRDWUJS-UHFFFAOYSA-N 0 3 237.368 2.849 20 10 BFCDHN Cc1cc([O-])c(C[N@H+](C)CC2CC2)cc1C ZINC000072027069 178194693 /nfs/dbraw/zinc/19/46/93/178194693.db2.gz PRWAGTKACXGQOX-UHFFFAOYSA-N 0 3 219.328 2.851 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+](C)CC2CC2)cc1C ZINC000072027069 178194695 /nfs/dbraw/zinc/19/46/95/178194695.db2.gz PRWAGTKACXGQOX-UHFFFAOYSA-N 0 3 219.328 2.851 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC[C@H]2C)cc1C ZINC000277878419 178197098 /nfs/dbraw/zinc/19/70/98/178197098.db2.gz NVHIKIMHSZLLDG-TZMCWYRMSA-N 0 3 249.354 2.524 20 10 BFCDHN CSC(C)(C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000128221373 398339763 /nfs/dbraw/zinc/33/97/63/398339763.db2.gz GRLZBSSGPYFPDB-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN CCOc1cccc(C[NH2+][C@@H](C)C2CC2)c1[O-] ZINC000035733304 343303146 /nfs/dbraw/zinc/30/31/46/343303146.db2.gz VRKYXPWJZMDXCB-JTQLQIEISA-N 0 3 235.327 2.679 20 10 BFCDHN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000042553095 343442802 /nfs/dbraw/zinc/44/28/02/343442802.db2.gz CPYZGNZPJUHZOX-GHMZBOCLSA-N 0 3 237.343 2.925 20 10 BFCDHN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000042552004 343443045 /nfs/dbraw/zinc/44/30/45/343443045.db2.gz HDCBCXLJAVLQAF-GHMZBOCLSA-N 0 3 237.343 2.925 20 10 BFCDHN CCOc1cccc(C[NH2+][C@@H]2CC2(C)C)c1[O-] ZINC000045115832 343523926 /nfs/dbraw/zinc/52/39/26/343523926.db2.gz HQUYMLSCUXVIPR-GFCCVEGCSA-N 0 3 235.327 2.679 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C1CC1 ZINC000180102754 347014089 /nfs/dbraw/zinc/01/40/89/347014089.db2.gz KOQKZHZZTRRSTJ-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C1CC1 ZINC000180102754 347014090 /nfs/dbraw/zinc/01/40/90/347014090.db2.gz KOQKZHZZTRRSTJ-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[N@H+](Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000121880923 344941293 /nfs/dbraw/zinc/94/12/93/344941293.db2.gz PXVPPWUWBQEAND-UHFFFAOYSA-N 0 3 219.328 2.993 20 10 BFCDHN CC[N@@H+](Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000121880923 344941294 /nfs/dbraw/zinc/94/12/94/344941294.db2.gz PXVPPWUWBQEAND-UHFFFAOYSA-N 0 3 219.328 2.993 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C2CCSCC2)c1 ZINC000123541007 178795614 /nfs/dbraw/zinc/79/56/14/178795614.db2.gz JFVZEGYOBUTVKL-UHFFFAOYSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCC(C)(F)F)c1 ZINC000294287049 178797057 /nfs/dbraw/zinc/79/70/57/178797057.db2.gz TXDILDOSAQXLIW-UHFFFAOYSA-N 0 3 229.270 2.836 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C[C@@H]1CCCO1 ZINC000124567083 345047109 /nfs/dbraw/zinc/04/71/09/345047109.db2.gz GTQDAQBMOARRHJ-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C[C@@H]1CCCO1 ZINC000124567083 345047114 /nfs/dbraw/zinc/04/71/14/345047114.db2.gz GTQDAQBMOARRHJ-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCC(C)(C)O)c([O-])c1 ZINC000274756266 178888509 /nfs/dbraw/zinc/88/85/09/178888509.db2.gz CEYBCCGXFXMJDD-NSHDSACASA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCCSCC2)c1[O-] ZINC000272725632 179073607 /nfs/dbraw/zinc/07/36/07/179073607.db2.gz GAZRYROFGSUSSY-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN Cc1cccc(C[N@H+]2CCCSCC2)c1[O-] ZINC000272725632 179073611 /nfs/dbraw/zinc/07/36/11/179073611.db2.gz GAZRYROFGSUSSY-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000376830568 179080298 /nfs/dbraw/zinc/08/02/98/179080298.db2.gz DSCVMYZXHKNMRX-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000376830568 179080299 /nfs/dbraw/zinc/08/02/99/179080299.db2.gz DSCVMYZXHKNMRX-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc(CN2CCC[C@@H]2CF)c1O ZINC000293933846 179075904 /nfs/dbraw/zinc/07/59/04/179075904.db2.gz HPKCLJMRGATRSU-GFCCVEGCSA-N 0 3 223.291 2.635 20 10 BFCDHN Cc1cccc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000124571245 179082447 /nfs/dbraw/zinc/08/24/47/179082447.db2.gz OVMBQOGDYNSHDA-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc(C[NH2+]CCSC(C)C)c1[O-] ZINC000289907523 179092536 /nfs/dbraw/zinc/09/25/36/179092536.db2.gz UVMUIIZXOYQCCT-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN Cc1cccc(C[NH2+]Cc2ccccc2)c1[O-] ZINC000083355507 179095391 /nfs/dbraw/zinc/09/53/91/179095391.db2.gz REJMYRHDJWGUNS-UHFFFAOYSA-N 0 3 227.307 2.990 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2CCCSC2)c1[O-] ZINC000162691501 179098495 /nfs/dbraw/zinc/09/84/95/179098495.db2.gz RZJDRWOCDIULNS-GFCCVEGCSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1[O-] ZINC000162862428 179098856 /nfs/dbraw/zinc/09/88/56/179098856.db2.gz KLRIMTGQHFHPIQ-ZWNOBZJWSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1 ZINC000271266864 192382819 /nfs/dbraw/zinc/38/28/19/192382819.db2.gz BQKJKTHZLOYLOT-OLZOCXBDSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCCOCC2CC2)c1 ZINC000071406745 191004030 /nfs/dbraw/zinc/00/40/30/191004030.db2.gz MZQXQUJZZLIRAJ-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2CC2)c([O-])c1 ZINC000020086256 188175751 /nfs/dbraw/zinc/17/57/51/188175751.db2.gz WZAATFWVWFKCTN-SNVBAGLBSA-N 0 3 205.301 2.761 20 10 BFCDHN CC(C)=CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296587350 364785705 /nfs/dbraw/zinc/78/57/05/364785705.db2.gz WOJCULMEHNALCH-LBPRGKRZSA-N 0 3 217.312 2.935 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000297357217 364788784 /nfs/dbraw/zinc/78/87/84/364788784.db2.gz PNFVHEVDMPHAEB-DGCLKSJQSA-N 0 3 249.354 2.519 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCSC1 ZINC000226614560 183274799 /nfs/dbraw/zinc/27/47/99/183274799.db2.gz FCVRPNUNNTWNHS-LLVKDONJSA-N 0 3 241.331 2.517 20 10 BFCDHN [O-]c1c(O)cccc1C[NH2+]C1CCCCC1 ZINC000041116211 183289566 /nfs/dbraw/zinc/28/95/66/183289566.db2.gz HSPHHPIZMKNREY-UHFFFAOYSA-N 0 3 221.300 2.520 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000020130838 183302200 /nfs/dbraw/zinc/30/22/00/183302200.db2.gz CKTNFCPBPGOPSU-UHFFFAOYSA-N 0 3 217.312 2.670 20 10 BFCDHN CCC[N@H+](CCOCC)Cc1ccccc1[O-] ZINC000152226158 169168802 /nfs/dbraw/zinc/16/88/02/169168802.db2.gz KUPVJTBDDLLWGT-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN CCC[N@@H+](CCOCC)Cc1ccccc1[O-] ZINC000152226158 169168803 /nfs/dbraw/zinc/16/88/03/169168803.db2.gz KUPVJTBDDLLWGT-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN Oc1ccccc1CNCc1ccccc1F ZINC000019949814 183303180 /nfs/dbraw/zinc/30/31/80/183303180.db2.gz SACICISMIRHYEI-UHFFFAOYSA-N 0 3 231.270 2.821 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565314 183303357 /nfs/dbraw/zinc/30/33/57/183303357.db2.gz QPTLZRMUBWIRQY-CQSZACIVSA-N 0 3 239.318 2.822 20 10 BFCDHN CCCN(Cc1ccno1)Cc1ccccc1O ZINC000264635360 169179846 /nfs/dbraw/zinc/17/98/46/169179846.db2.gz SOOMRPWWEHABAJ-UHFFFAOYSA-N 0 3 246.310 2.792 20 10 BFCDHN CCC[C@@H](CNCc1ccc2c(c1)CCO2)OC ZINC000293542279 169385072 /nfs/dbraw/zinc/38/50/72/169385072.db2.gz AUEUXSLOMQXPGE-AWEZNQCLSA-N 0 3 249.354 2.526 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000295797277 383847920 /nfs/dbraw/zinc/84/79/20/383847920.db2.gz BWSHUUMOFNEQLP-SKDRFNHKSA-N 0 3 217.312 2.768 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000295797274 383848288 /nfs/dbraw/zinc/84/82/88/383848288.db2.gz BWSHUUMOFNEQLP-JOYOIKCWSA-N 0 3 217.312 2.768 20 10 BFCDHN C[C@@H]([NH2+]CCc1cccnc1)c1ccccc1[O-] ZINC000037717713 384000565 /nfs/dbraw/zinc/00/05/65/384000565.db2.gz KMQBCCOQVZHKDQ-GFCCVEGCSA-N 0 3 242.322 2.681 20 10 BFCDHN CC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])OC ZINC000290271033 383962314 /nfs/dbraw/zinc/96/23/14/383962314.db2.gz WDYHHENFLHYYTR-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1noc(C)c1CN[C@@H](C)c1ccccc1O ZINC000092329455 384174697 /nfs/dbraw/zinc/17/46/97/384174697.db2.gz PZTDVOYXPSTNLE-VIFPVBQESA-N 0 3 246.310 2.848 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C)c1 ZINC000132644411 384198239 /nfs/dbraw/zinc/19/82/39/384198239.db2.gz UQHDSRULNPAZMW-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000132644411 384198245 /nfs/dbraw/zinc/19/82/45/384198245.db2.gz UQHDSRULNPAZMW-NSHDSACASA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)c([O-])c1 ZINC000042814214 384248506 /nfs/dbraw/zinc/24/85/06/384248506.db2.gz SRZIWNPWELSAKA-QWHCGFSZSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC(C)(C)C2)c1 ZINC000132764301 384249324 /nfs/dbraw/zinc/24/93/24/384249324.db2.gz ISBGLMADGIWHPK-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCC(C)(C)C2)c1 ZINC000132764301 384249332 /nfs/dbraw/zinc/24/93/32/384249332.db2.gz ISBGLMADGIWHPK-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@H](COC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618292 384307052 /nfs/dbraw/zinc/30/70/52/384307052.db2.gz XOJNAQDMZUIUJI-MWLCHTKSSA-N 0 3 241.306 2.607 20 10 BFCDHN CC[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000159248263 384315148 /nfs/dbraw/zinc/31/51/48/384315148.db2.gz HUDQGSQBSLCOLP-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000159248263 384315149 /nfs/dbraw/zinc/31/51/49/384315149.db2.gz HUDQGSQBSLCOLP-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000160587841 384423217 /nfs/dbraw/zinc/42/32/17/384423217.db2.gz RQTBNVNTLGOBTD-ZDUSSCGKSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccnc2)c([O-])c1 ZINC000020141335 384585929 /nfs/dbraw/zinc/58/59/29/384585929.db2.gz MTVWFYUEWUJTHF-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CCC(O)(CC)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000087013878 385066344 /nfs/dbraw/zinc/06/63/44/385066344.db2.gz NLIUAGPTFLYUOA-NSHDSACASA-N 0 3 237.343 2.594 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])CC[C@@H]1C ZINC000188315970 385038594 /nfs/dbraw/zinc/03/85/94/385038594.db2.gz GJUDCAQDUBMJCF-SMDDNHRTSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])CC[C@@H]1C ZINC000188315970 385038600 /nfs/dbraw/zinc/03/86/00/385038600.db2.gz GJUDCAQDUBMJCF-SMDDNHRTSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCSC2)c1 ZINC000129235562 385127503 /nfs/dbraw/zinc/12/75/03/385127503.db2.gz ZXFGXCFIRHLVKH-LBPRGKRZSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000062050922 385149965 /nfs/dbraw/zinc/14/99/65/385149965.db2.gz ZSFBUKOGPKRWFS-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1[O-] ZINC000109543254 385174345 /nfs/dbraw/zinc/17/43/45/385174345.db2.gz KICVYHKRPJTBJJ-AAEUAGOBSA-N 0 3 235.327 2.612 20 10 BFCDHN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000191647226 385314314 /nfs/dbraw/zinc/31/43/14/385314314.db2.gz OIMCEVOMGOQBEY-QJPTWQEYSA-N 0 3 237.343 2.775 20 10 BFCDHN Cc1ccc([C@H](C)NCCF)c(O)c1C ZINC000280930126 385384791 /nfs/dbraw/zinc/38/47/91/385384791.db2.gz FLKMQJLBLFYIFX-JTQLQIEISA-N 0 3 211.280 2.629 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCOC(C)C)c([O-])c1 ZINC000168885035 385391797 /nfs/dbraw/zinc/39/17/97/385391797.db2.gz FYZITNVANJQZKE-LBPRGKRZSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000156102415 385436802 /nfs/dbraw/zinc/43/68/02/385436802.db2.gz IPOGSBGGQQEDFZ-BETUJISGSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000156102415 385436805 /nfs/dbraw/zinc/43/68/05/385436805.db2.gz IPOGSBGGQQEDFZ-BETUJISGSA-N 0 3 231.339 2.933 20 10 BFCDHN CCCC[N@H+](CCOC)Cc1ccccc1[O-] ZINC000179573529 385473892 /nfs/dbraw/zinc/47/38/92/385473892.db2.gz JQJDSIWGQQZCHP-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN CCCC[N@@H+](CCOC)Cc1ccccc1[O-] ZINC000179573529 385473896 /nfs/dbraw/zinc/47/38/96/385473896.db2.gz JQJDSIWGQQZCHP-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccccc1[O-] ZINC000179577070 385476488 /nfs/dbraw/zinc/47/64/88/385476488.db2.gz GLFGQHMLNMKVDH-MNOVXSKESA-N 0 3 237.368 2.718 20 10 BFCDHN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccccc1[O-] ZINC000179577070 385476490 /nfs/dbraw/zinc/47/64/90/385476490.db2.gz GLFGQHMLNMKVDH-MNOVXSKESA-N 0 3 237.368 2.718 20 10 BFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCC1 ZINC000180167576 385509067 /nfs/dbraw/zinc/50/90/67/385509067.db2.gz ATFKXKBAXPTRNX-UHFFFAOYSA-N 0 3 209.264 2.516 20 10 BFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCC1 ZINC000180167576 385509070 /nfs/dbraw/zinc/50/90/70/385509070.db2.gz ATFKXKBAXPTRNX-UHFFFAOYSA-N 0 3 209.264 2.516 20 10 BFCDHN CC[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])CCCO1 ZINC000281135181 385636980 /nfs/dbraw/zinc/63/69/80/385636980.db2.gz DHXGERNAOCLWQO-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CCCO1 ZINC000281135181 385636986 /nfs/dbraw/zinc/63/69/86/385636986.db2.gz DHXGERNAOCLWQO-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN C[C@H](NCCF)c1cc2c(cc1O)CCCC2 ZINC000281146693 385639971 /nfs/dbraw/zinc/63/99/71/385639971.db2.gz UYKRTWAUVGUFOZ-JTQLQIEISA-N 0 3 237.318 2.891 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)c([O-])c1 ZINC000230667660 385746600 /nfs/dbraw/zinc/74/66/00/385746600.db2.gz TYZQCZARBWVOOQ-MNOVXSKESA-N 0 3 237.368 2.857 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCSC1)c1cc(F)ccc1[O-] ZINC000230667728 385747371 /nfs/dbraw/zinc/74/73/71/385747371.db2.gz NPQNOCDZCNDPEJ-WCBMZHEXSA-N 0 3 241.331 2.687 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCOCC2)c1 ZINC000186234163 385748923 /nfs/dbraw/zinc/74/89/23/385748923.db2.gz XVDVWDVUTBBXMC-STQMWFEESA-N 0 3 249.354 2.920 20 10 BFCDHN C[N@H+](CCCCCF)Cc1ccccc1[O-] ZINC000283991202 385844744 /nfs/dbraw/zinc/84/47/44/385844744.db2.gz GGCXSQMCXWSGRI-UHFFFAOYSA-N 0 3 225.307 2.964 20 10 BFCDHN C[N@@H+](CCCCCF)Cc1ccccc1[O-] ZINC000283991202 385844746 /nfs/dbraw/zinc/84/47/46/385844746.db2.gz GGCXSQMCXWSGRI-UHFFFAOYSA-N 0 3 225.307 2.964 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCO2)c([O-])c1 ZINC000284045920 385846718 /nfs/dbraw/zinc/84/67/18/385846718.db2.gz KBCCLFQDTGDSOQ-CHWSQXEVSA-N 0 3 249.354 2.839 20 10 BFCDHN CC(C)(C)OC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000272430258 385901107 /nfs/dbraw/zinc/90/11/07/385901107.db2.gz NHANHRWDBRMTGX-UHFFFAOYSA-N 0 3 249.354 2.828 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c([O-])c1C ZINC000273387001 385993745 /nfs/dbraw/zinc/99/37/45/385993745.db2.gz JSWBUNYVUFVEPZ-OLZOCXBDSA-N 0 3 249.354 2.839 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)c([O-])c1C ZINC000273612598 386017478 /nfs/dbraw/zinc/01/74/78/386017478.db2.gz WQCQVJUFIBWMDY-QWHCGFSZSA-N 0 3 249.354 2.839 20 10 BFCDHN CO[C@@H](C)CC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000266216269 386413675 /nfs/dbraw/zinc/41/36/75/386413675.db2.gz PWAOAWRGIZUQQQ-LBPRGKRZSA-N 0 3 237.343 2.524 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000278375686 386517764 /nfs/dbraw/zinc/51/77/64/386517764.db2.gz CCYIBHOMERBGBI-OBJOEFQTSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000278381862 386518292 /nfs/dbraw/zinc/51/82/92/386518292.db2.gz CKIJEFQHAIQUKX-MBNYWOFBSA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1[O-] ZINC000228553935 386584772 /nfs/dbraw/zinc/58/47/72/386584772.db2.gz FTCUYHXHDGPTNN-WDEREUQCSA-N 0 3 237.368 2.796 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1[O-] ZINC000300417761 386595012 /nfs/dbraw/zinc/59/50/12/386595012.db2.gz MYEUKCXCZGDORR-ZBINZKHDSA-N 0 3 247.338 2.610 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000228044920 386535330 /nfs/dbraw/zinc/53/53/30/386535330.db2.gz ZPZKUAXDRVFORO-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000279983246 386765581 /nfs/dbraw/zinc/76/55/81/386765581.db2.gz DTYHAXVQUNJOAC-OCCSQVGLSA-N 0 3 249.354 2.920 20 10 BFCDHN CCOCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293769126 386877566 /nfs/dbraw/zinc/87/75/66/386877566.db2.gz PLLZZBKITLHNMY-GFCCVEGCSA-N 0 3 237.343 2.696 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCOCC2)c([O-])c1 ZINC000293932796 386905447 /nfs/dbraw/zinc/90/54/47/386905447.db2.gz YBIBICJDKRGEII-GFCCVEGCSA-N 0 3 249.354 2.839 20 10 BFCDHN CO[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])CC1 ZINC000371684389 387239280 /nfs/dbraw/zinc/23/92/80/387239280.db2.gz DJGCSANRRQZUNH-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])CC1 ZINC000371684389 387239284 /nfs/dbraw/zinc/23/92/84/387239284.db2.gz DJGCSANRRQZUNH-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cc(C)c([C@@H](C)NCCF)c(O)c1 ZINC000285059808 387248940 /nfs/dbraw/zinc/24/89/40/387248940.db2.gz IUAVIWDHKPPRHI-SNVBAGLBSA-N 0 3 211.280 2.629 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCF)c([O-])c1 ZINC000285059808 387248945 /nfs/dbraw/zinc/24/89/45/387248945.db2.gz IUAVIWDHKPPRHI-SNVBAGLBSA-N 0 3 211.280 2.629 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2=CCCOC2)c1 ZINC000287079823 387365180 /nfs/dbraw/zinc/36/51/80/387365180.db2.gz OOVKDZPWOIPWCA-LBPRGKRZSA-N 0 3 247.338 2.698 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccccc1[O-] ZINC000272883961 387453365 /nfs/dbraw/zinc/45/33/65/387453365.db2.gz RBERXKMICJQNGB-WDEREUQCSA-N 0 3 245.326 2.538 20 10 BFCDHN CCC[C@H](O)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000119241507 387553160 /nfs/dbraw/zinc/55/31/60/387553160.db2.gz MOOOZLOWLHOLDT-AAEUAGOBSA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000527651210 387660531 /nfs/dbraw/zinc/66/05/31/387660531.db2.gz GXOYPNMYPXTNTF-SWHYSGLUSA-N 0 3 231.339 2.916 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000527979544 387798483 /nfs/dbraw/zinc/79/84/83/387798483.db2.gz NHPCHWHECWEMID-GLQYFDAESA-N 0 3 249.354 2.919 20 10 BFCDHN CC(C)=CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000276802617 388351116 /nfs/dbraw/zinc/35/11/16/388351116.db2.gz WCEZIOCVOJUZCO-UHFFFAOYSA-N 0 3 223.291 2.977 20 10 BFCDHN CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])OC ZINC000290222015 388376928 /nfs/dbraw/zinc/37/69/28/388376928.db2.gz QXNDBDKABULUPO-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN CC(C)C1([NH2+]Cc2ccccc2[O-])CC1 ZINC000293133848 388387089 /nfs/dbraw/zinc/38/70/89/388387089.db2.gz SYXMPDIQGCCHAT-UHFFFAOYSA-N 0 3 205.301 2.670 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccccc1[O-] ZINC000293581608 388390864 /nfs/dbraw/zinc/39/08/64/388390864.db2.gz CAHUWESOVMYKCM-UKRRQHHQSA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295853777 388414365 /nfs/dbraw/zinc/41/43/65/388414365.db2.gz GGHYAUGODOSSSN-MWLCHTKSSA-N 0 3 205.301 2.768 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1[O-] ZINC000228797605 388775061 /nfs/dbraw/zinc/77/50/61/388775061.db2.gz HMVMFMINGAXJRP-NXEZZACHSA-N 0 3 223.341 2.548 20 10 BFCDHN CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000273605175 389042149 /nfs/dbraw/zinc/04/21/49/389042149.db2.gz TWYWVZFTMNIQIX-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@@H]([NH2+]CCOC(C)C)c1ccccc1[O-] ZINC000164045206 397791445 /nfs/dbraw/zinc/79/14/45/397791445.db2.gz XSEQMAOYWIHCFS-CYBMUJFWSA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038044677 398024687 /nfs/dbraw/zinc/02/46/87/398024687.db2.gz HQGDJVIVIIYMPZ-STQMWFEESA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)c([O-])c1 ZINC000038044308 398024984 /nfs/dbraw/zinc/02/49/84/398024984.db2.gz OIZQEFXCXQVGMU-CHWSQXEVSA-N 0 3 249.354 2.778 20 10 BFCDHN CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000278580100 398039022 /nfs/dbraw/zinc/03/90/22/398039022.db2.gz DCKGZOZTJYYYJG-HNNXBMFYSA-N 0 3 249.354 2.519 20 10 BFCDHN CCC[C@@]1(CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000278580100 398039023 /nfs/dbraw/zinc/03/90/23/398039023.db2.gz DCKGZOZTJYYYJG-HNNXBMFYSA-N 0 3 249.354 2.519 20 10 BFCDHN C[C@H](C1CC1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179936044 410912007 /nfs/dbraw/zinc/91/20/07/410912007.db2.gz XNYVELGPDFULHZ-SECBINFHSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@H](C1CC1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179936044 410912013 /nfs/dbraw/zinc/91/20/13/410912013.db2.gz XNYVELGPDFULHZ-SECBINFHSA-N 0 3 223.291 2.762 20 10 BFCDHN CCC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180560720 168299604 /nfs/dbraw/zinc/29/96/04/168299604.db2.gz YXIHSYAMZPBXOA-UHFFFAOYSA-N 0 3 211.280 2.810 20 10 BFCDHN CCOC1(C)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000292681980 170318762 /nfs/dbraw/zinc/31/87/62/170318762.db2.gz ASXSGPCZWWEHKM-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN CCOC1CC(C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000285777512 170323289 /nfs/dbraw/zinc/32/32/89/170323289.db2.gz XBZGEPLJVDHRQI-UHFFFAOYSA-N 0 3 249.354 2.639 20 10 BFCDHN CCOC1CC(C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000285777512 170323290 /nfs/dbraw/zinc/32/32/90/170323290.db2.gz XBZGEPLJVDHRQI-UHFFFAOYSA-N 0 3 249.354 2.639 20 10 BFCDHN CCOCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280299801 170414897 /nfs/dbraw/zinc/41/48/97/170414897.db2.gz ZVKDLHPDQCHAFD-CYBMUJFWSA-N 0 3 237.343 2.778 20 10 BFCDHN CCOc1cccc(CNCc2ccco2)c1O ZINC000021962216 170579097 /nfs/dbraw/zinc/57/90/97/170579097.db2.gz FVCRSKUOAFYHDW-UHFFFAOYSA-N 0 3 247.294 2.674 20 10 BFCDHN CC[C@@H](CNCc1ccc(OC)c(C)c1)OC ZINC000289955524 170828994 /nfs/dbraw/zinc/82/89/94/170828994.db2.gz XWJFALNYVRUYPY-ZDUSSCGKSA-N 0 3 237.343 2.518 20 10 BFCDHN CC[C@@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000292115937 171023759 /nfs/dbraw/zinc/02/37/59/171023759.db2.gz QWKZMVILKUGIKX-CYBMUJFWSA-N 0 3 219.328 2.993 20 10 BFCDHN CC[C@@H]1CC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000292115937 171023761 /nfs/dbraw/zinc/02/37/61/171023761.db2.gz QWKZMVILKUGIKX-CYBMUJFWSA-N 0 3 219.328 2.993 20 10 BFCDHN CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000042552007 171365723 /nfs/dbraw/zinc/36/57/23/171365723.db2.gz HDCBCXLJAVLQAF-WDEREUQCSA-N 0 3 237.343 2.925 20 10 BFCDHN CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000294188191 171392243 /nfs/dbraw/zinc/39/22/43/171392243.db2.gz KUBQUMUYLBUOIN-FZMZJTMJSA-N 0 3 237.343 2.543 20 10 BFCDHN CC[C@H]([NH2+]CCOCC1CC1)c1ccccc1[O-] ZINC000223815023 171520986 /nfs/dbraw/zinc/52/09/86/171520986.db2.gz HTZIBHLSRNCXIC-AWEZNQCLSA-N 0 3 249.354 2.860 20 10 BFCDHN COCC1([NH2+]Cc2cc(C)c(C)cc2[O-])CCC1 ZINC000283802246 174109315 /nfs/dbraw/zinc/10/93/15/174109315.db2.gz ARAUVHQDRCAPSF-UHFFFAOYSA-N 0 3 249.354 2.668 20 10 BFCDHN COCC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000156033754 174120516 /nfs/dbraw/zinc/12/05/16/174120516.db2.gz ZWUWYJGIKHEZBJ-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN COCC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000124591321 174120739 /nfs/dbraw/zinc/12/07/39/174120739.db2.gz REUUZSVXDICKGY-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN COCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000283866986 174248923 /nfs/dbraw/zinc/24/89/23/174248923.db2.gz BSFVOUPXQHHGIT-LBPRGKRZSA-N 0 3 237.343 2.696 20 10 BFCDHN COCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000020142674 174250692 /nfs/dbraw/zinc/25/06/92/174250692.db2.gz BQIZWMIQJNOXAC-NWDGAFQWSA-N 0 3 249.354 2.875 20 10 BFCDHN COCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000081705473 174407658 /nfs/dbraw/zinc/40/76/58/174407658.db2.gz GPJGULKGCCCYHF-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN COC[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000045656884 174533704 /nfs/dbraw/zinc/53/37/04/174533704.db2.gz HKHNHVBZNHFJBY-VXGBXAGGSA-N 0 3 237.343 2.634 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000376831511 175157094 /nfs/dbraw/zinc/15/70/94/175157094.db2.gz JOMVFMSQXQRQIG-LBPRGKRZSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000376831511 175157095 /nfs/dbraw/zinc/15/70/95/175157095.db2.gz JOMVFMSQXQRQIG-LBPRGKRZSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000156103923 175157998 /nfs/dbraw/zinc/15/79/98/175157998.db2.gz CVKFEHLNUXBQCU-TXEJJXNPSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000156103923 175157999 /nfs/dbraw/zinc/15/79/99/175157999.db2.gz CVKFEHLNUXBQCU-TXEJJXNPSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000284319190 175158527 /nfs/dbraw/zinc/15/85/27/175158527.db2.gz LRSGTPARSQHPSK-CYBMUJFWSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CC(C)C)c1 ZINC000037260496 175158727 /nfs/dbraw/zinc/15/87/27/175158727.db2.gz JTTRQUPITMQUKI-LLVKDONJSA-N 0 3 237.343 2.925 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045628945 175159413 /nfs/dbraw/zinc/15/94/13/175159413.db2.gz QWAYJUMZTJDUQQ-GFCCVEGCSA-N 0 3 247.338 2.847 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H](C)C(C)C)c1 ZINC000020522504 175159505 /nfs/dbraw/zinc/15/95/05/175159505.db2.gz DVYYBWJGZKWAHY-SNVBAGLBSA-N 0 3 223.316 2.535 20 10 BFCDHN COc1ccc(O)c([C@@H](C)NCc2ccco2)c1 ZINC000022144293 175159979 /nfs/dbraw/zinc/15/99/79/175159979.db2.gz LQQMWDIYRPHTTI-SNVBAGLBSA-N 0 3 247.294 2.845 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000035733194 175160231 /nfs/dbraw/zinc/16/02/31/175160231.db2.gz JNQCFBLXGJVSPW-NXEZZACHSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc(C[N@@H+]2CCC(C)=C(C)C2)c1[O-] ZINC000280842283 175257807 /nfs/dbraw/zinc/25/78/07/175257807.db2.gz MBAANXKBUWXILO-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN COc1cccc(C[N@H+]2CCC(C)=C(C)C2)c1[O-] ZINC000280842283 175257808 /nfs/dbraw/zinc/25/78/08/175257808.db2.gz MBAANXKBUWXILO-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN COc1cccc(C[NH2+]C2(C(C)C)CC2)c1[O-] ZINC000293220072 175263699 /nfs/dbraw/zinc/26/36/99/175263699.db2.gz YRFCCQQCWVCWPY-UHFFFAOYSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+]CCCC(C)C)c1[O-] ZINC000038093337 175264855 /nfs/dbraw/zinc/26/48/55/175264855.db2.gz WBIAFTMWRJSDHX-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN COc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000019903153 175329863 /nfs/dbraw/zinc/32/98/63/175329863.db2.gz UILCRYTVHYHOCN-UHFFFAOYSA-N 0 3 243.306 2.691 20 10 BFCDHN C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179866582 176099834 /nfs/dbraw/zinc/09/98/34/176099834.db2.gz RVDKFHICJROUJG-SNVBAGLBSA-N 0 3 223.291 2.763 20 10 BFCDHN C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179866582 176099836 /nfs/dbraw/zinc/09/98/36/176099836.db2.gz RVDKFHICJROUJG-SNVBAGLBSA-N 0 3 223.291 2.763 20 10 BFCDHN C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180137447 176108079 /nfs/dbraw/zinc/10/80/79/176108079.db2.gz PHEOOYRSOSHZEQ-SECBINFHSA-N 0 3 209.264 2.516 20 10 BFCDHN C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180137447 176108081 /nfs/dbraw/zinc/10/80/81/176108081.db2.gz PHEOOYRSOSHZEQ-SECBINFHSA-N 0 3 209.264 2.516 20 10 BFCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000293183012 176304996 /nfs/dbraw/zinc/30/49/96/176304996.db2.gz WUDQPOIASPNRTH-VXGBXAGGSA-N 0 3 218.344 2.593 20 10 BFCDHN C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295847620 176398009 /nfs/dbraw/zinc/39/80/09/176398009.db2.gz FXESSNUJYCZWLC-JLLWLGSASA-N 0 3 217.312 2.625 20 10 BFCDHN C[C@H]([NH2+]CC1(C)CCOCC1)c1ccccc1[O-] ZINC000228798014 176835949 /nfs/dbraw/zinc/83/59/49/176835949.db2.gz DRYAYGDHBJWWPS-LBPRGKRZSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180137465 177110376 /nfs/dbraw/zinc/11/03/76/177110376.db2.gz PHEOOYRSOSHZEQ-VIFPVBQESA-N 0 3 209.264 2.516 20 10 BFCDHN C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180137465 177110378 /nfs/dbraw/zinc/11/03/78/177110378.db2.gz PHEOOYRSOSHZEQ-VIFPVBQESA-N 0 3 209.264 2.516 20 10 BFCDHN C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000070826308 177127140 /nfs/dbraw/zinc/12/71/40/177127140.db2.gz BKOJQZZHIKPAEQ-JQWIXIFHSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccccc1[O-] ZINC000528001248 323736180 /nfs/dbraw/zinc/73/61/80/323736180.db2.gz INYMFRQMEUAFSK-SQRMYFJTSA-N 0 3 249.354 2.855 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1[O-] ZINC000529668972 324374535 /nfs/dbraw/zinc/37/45/35/324374535.db2.gz KBJVZSUTBIXEIG-HIFRSBDPSA-N 0 3 249.354 2.746 20 10 BFCDHN CC[C@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000293815182 488017658 /nfs/dbraw/zinc/01/76/58/488017658.db2.gz VTDJLJCTLGNRRG-AAEUAGOBSA-N 0 3 237.343 2.512 20 10 BFCDHN COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])cc1C ZINC000853575154 588749302 /nfs/dbraw/zinc/74/93/02/588749302.db2.gz AZSMTZMHNFUICQ-VXGBXAGGSA-N 0 3 247.338 2.551 20 10 BFCDHN COc1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])cc1C ZINC000853575154 588749303 /nfs/dbraw/zinc/74/93/03/588749303.db2.gz AZSMTZMHNFUICQ-VXGBXAGGSA-N 0 3 247.338 2.551 20 10 BFCDHN C/C=C/C[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000858537557 582462738 /nfs/dbraw/zinc/46/27/38/582462738.db2.gz OLOXRZOUDKIUTR-YEZKRMTDSA-N 0 3 221.300 2.628 20 10 BFCDHN CCOc1ccc(CNCc2ccccc2O)o1 ZINC000892791445 582982733 /nfs/dbraw/zinc/98/27/33/582982733.db2.gz MRPCEDVZWVEFIC-UHFFFAOYSA-N 0 3 247.294 2.674 20 10 BFCDHN COc1cccc(CN2CC(CC3CC3)C2)c1O ZINC000857066595 588885235 /nfs/dbraw/zinc/88/52/35/588885235.db2.gz OTXZFNJXJMDLBB-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc(C[NH+]2CC(CC3CC3)C2)c1[O-] ZINC000857066595 588885236 /nfs/dbraw/zinc/88/52/36/588885236.db2.gz OTXZFNJXJMDLBB-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN CCC[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894148533 583320215 /nfs/dbraw/zinc/32/02/15/583320215.db2.gz ZRVJLIRBLVDBET-LLVKDONJSA-N 0 3 237.343 2.987 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CCC2CCC2)c1[O-] ZINC000894347436 583431563 /nfs/dbraw/zinc/43/15/63/583431563.db2.gz JTPOGLIASJIWRX-UHFFFAOYSA-N 0 3 249.354 2.989 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@H](C)C2CCC2)c1[O-] ZINC000894368166 583439783 /nfs/dbraw/zinc/43/97/83/583439783.db2.gz KNGZDGHQTCAGOT-LLVKDONJSA-N 0 3 249.354 2.987 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C(C)(C)C)c1[O-] ZINC000894383675 583442475 /nfs/dbraw/zinc/44/24/75/583442475.db2.gz HJXVTPMZEQGNOH-UHFFFAOYSA-N 0 3 223.316 2.597 20 10 BFCDHN COc1cc(C)cc(CN2[C@H](C)C[C@H]2C)c1O ZINC000894600149 583490348 /nfs/dbraw/zinc/49/03/48/583490348.db2.gz FMCQTAVEHKERRR-GHMZBOCLSA-N 0 3 235.327 2.692 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1[O-] ZINC000128441343 583542271 /nfs/dbraw/zinc/54/22/71/583542271.db2.gz XCMDGGSDGJHENW-GWCFXTLKSA-N 0 3 219.328 2.979 20 10 BFCDHN CCOc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000793219569 583577326 /nfs/dbraw/zinc/57/73/26/583577326.db2.gz ABPBGNBDZXHSBI-PHIMTYICSA-N 0 3 235.327 2.774 20 10 BFCDHN CCOc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000793219569 583577327 /nfs/dbraw/zinc/57/73/27/583577327.db2.gz ABPBGNBDZXHSBI-PHIMTYICSA-N 0 3 235.327 2.774 20 10 BFCDHN CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1[O-])C1CC1 ZINC000895278186 583635991 /nfs/dbraw/zinc/63/59/91/583635991.db2.gz PWENNNBWZVUUOS-CYBMUJFWSA-N 0 3 249.354 2.987 20 10 BFCDHN CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1[O-])C1CC1 ZINC000895278187 583636088 /nfs/dbraw/zinc/63/60/88/583636088.db2.gz PWENNNBWZVUUOS-ZDUSSCGKSA-N 0 3 249.354 2.987 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2C=CCC2)c([O-])c1 ZINC000895526713 583684687 /nfs/dbraw/zinc/68/46/87/583684687.db2.gz PPBFZUPQFLJPQH-GFCCVEGCSA-N 0 3 217.312 2.756 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCCCO1 ZINC000896924967 583857765 /nfs/dbraw/zinc/85/77/65/583857765.db2.gz VOWUNYOAIVMCCA-OAHLLOKOSA-N 0 3 249.354 2.749 20 10 BFCDHN CC(C)CNCc1cc(F)c(N(C)C)cc1F ZINC000858087463 588931707 /nfs/dbraw/zinc/93/17/07/588931707.db2.gz YFVBDEIKYCKJHC-UHFFFAOYSA-N 0 3 242.313 2.776 20 10 BFCDHN CN(C)c1cc(F)c(CNCC2CC2)cc1F ZINC000858094332 588932511 /nfs/dbraw/zinc/93/25/11/588932511.db2.gz FSQNUQITRZFHQY-UHFFFAOYSA-N 0 3 240.297 2.530 20 10 BFCDHN C/C=C/CNCc1ccc(OC)c(COCC)c1 ZINC000858289791 588942477 /nfs/dbraw/zinc/94/24/77/588942477.db2.gz AVRIMAHYUSYHED-GQCTYLIASA-N 0 3 249.354 2.897 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897955511 584065384 /nfs/dbraw/zinc/06/53/84/584065384.db2.gz VOVRAELLZUQPHM-LEWSCRJBSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c([O-])c1 ZINC000897959214 584066935 /nfs/dbraw/zinc/06/69/35/584066935.db2.gz FKPDZXIRORBCSL-IACUBPJLSA-N 0 3 231.339 2.979 20 10 BFCDHN CCc1cccc(C[NH2+]C/C=C/Cl)c1[O-] ZINC000898426839 584132160 /nfs/dbraw/zinc/13/21/60/584132160.db2.gz APGORNKQYLUXPL-QPJJXVBHSA-N 0 3 225.719 2.797 20 10 BFCDHN CCc1cccc(CNC/C=C/Cl)c1O ZINC000898426839 584132161 /nfs/dbraw/zinc/13/21/61/584132161.db2.gz APGORNKQYLUXPL-QPJJXVBHSA-N 0 3 225.719 2.797 20 10 BFCDHN CCc1cccc(C[NH2+]C/C=C\Cl)c1[O-] ZINC000898426838 584132233 /nfs/dbraw/zinc/13/22/33/584132233.db2.gz APGORNKQYLUXPL-DAXSKMNVSA-N 0 3 225.719 2.797 20 10 BFCDHN CCc1cccc(CNC/C=C\Cl)c1O ZINC000898426838 584132234 /nfs/dbraw/zinc/13/22/34/584132234.db2.gz APGORNKQYLUXPL-DAXSKMNVSA-N 0 3 225.719 2.797 20 10 BFCDHN CCOc1cccc(CNC/C=C\Cl)c1O ZINC000898434888 584135931 /nfs/dbraw/zinc/13/59/31/584135931.db2.gz CMIJLRFZVKNEFQ-DAXSKMNVSA-N 0 3 241.718 2.633 20 10 BFCDHN C/C=C\C[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000858537554 588963867 /nfs/dbraw/zinc/96/38/67/588963867.db2.gz OLOXRZOUDKIUTR-LWTINBJPSA-N 0 3 221.300 2.628 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H](O)C2CC2)c([O-])c1 ZINC000903405926 584758334 /nfs/dbraw/zinc/75/83/34/584758334.db2.gz GEGDCWBYYIWHIT-FZMZJTMJSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](O)C2CC2)c1 ZINC000903407302 584758731 /nfs/dbraw/zinc/75/87/31/584758731.db2.gz NOXYIVBXXDDQKA-RISCZKNCSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC=CCC1 ZINC000877054648 584889141 /nfs/dbraw/zinc/88/91/41/584889141.db2.gz GZCZIBNYQUUSGO-GFCCVEGCSA-N 0 3 217.312 2.899 20 10 BFCDHN C[C@H]([NH2+]CCOCC1CCC1)c1ccccc1[O-] ZINC000765809396 584938618 /nfs/dbraw/zinc/93/86/18/584938618.db2.gz NGEQFNSVEUGHSV-LBPRGKRZSA-N 0 3 249.354 2.860 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000840763416 584953184 /nfs/dbraw/zinc/95/31/84/584953184.db2.gz GTMSGGOYZGULPL-SDDRHHMPSA-N 0 3 235.327 2.610 20 10 BFCDHN CC(C)OC1CC([N@H+](C)Cc2ccccc2[O-])C1 ZINC000838893793 585078861 /nfs/dbraw/zinc/07/88/61/585078861.db2.gz GCFASIKJMUHRQK-UHFFFAOYSA-N 0 3 249.354 2.780 20 10 BFCDHN CC(C)OC1CC([N@@H+](C)Cc2ccccc2[O-])C1 ZINC000838893793 585078862 /nfs/dbraw/zinc/07/88/62/585078862.db2.gz GCFASIKJMUHRQK-UHFFFAOYSA-N 0 3 249.354 2.780 20 10 BFCDHN Cc1ccc(O)c(CN2CC3(CC(F)C3)C2)c1 ZINC000839140751 585094312 /nfs/dbraw/zinc/09/43/12/585094312.db2.gz VDNSYYJECQXOCU-UHFFFAOYSA-N 0 3 235.302 2.635 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839190588 585097563 /nfs/dbraw/zinc/09/75/63/585097563.db2.gz IINAOVOPNVLZDG-XBFCOCLRSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000839191434 585097578 /nfs/dbraw/zinc/09/75/78/585097578.db2.gz PDNVXARAPNOYTO-XBFCOCLRSA-N 0 3 231.339 2.979 20 10 BFCDHN CC(C)C[N@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000744151948 585144597 /nfs/dbraw/zinc/14/45/97/585144597.db2.gz NGQUDDGTPRSBDV-UHFFFAOYSA-N 0 3 233.355 2.969 20 10 BFCDHN CC(C)C[N@@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000744151948 585144598 /nfs/dbraw/zinc/14/45/98/585144598.db2.gz NGQUDDGTPRSBDV-UHFFFAOYSA-N 0 3 233.355 2.969 20 10 BFCDHN CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000746755682 585172509 /nfs/dbraw/zinc/17/25/09/585172509.db2.gz RHPUTIZTJQGOHF-KGLIPLIRSA-N 0 3 249.354 2.748 20 10 BFCDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])CCC3)C[C@H]1C ZINC000751929851 585239628 /nfs/dbraw/zinc/23/96/28/585239628.db2.gz SCEVFHHEVMZIAV-TXEJJXNPSA-N 0 3 245.366 2.969 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCC3)C[C@H]1C ZINC000751929851 585239629 /nfs/dbraw/zinc/23/96/29/585239629.db2.gz SCEVFHHEVMZIAV-TXEJJXNPSA-N 0 3 245.366 2.969 20 10 BFCDHN COC[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000751949981 585239958 /nfs/dbraw/zinc/23/99/58/585239958.db2.gz NMEXMXWIIREZEX-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN COC[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000751949981 585239959 /nfs/dbraw/zinc/23/99/59/585239959.db2.gz NMEXMXWIIREZEX-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000756840588 585324027 /nfs/dbraw/zinc/32/40/27/585324027.db2.gz YCPLGJCLVUNQBP-SNVBAGLBSA-N 0 3 247.338 2.994 20 10 BFCDHN CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OC)cc1[O-] ZINC000809658724 585324870 /nfs/dbraw/zinc/32/48/70/585324870.db2.gz UWDWEGSMNBJYCC-ZWNOBZJWSA-N 0 3 235.327 2.679 20 10 BFCDHN COC[C@H](CC(C)C)[NH2+]Cc1ccccc1[O-] ZINC000765625382 585491484 /nfs/dbraw/zinc/49/14/84/585491484.db2.gz IHSUBRGZXGDTAA-ZDUSSCGKSA-N 0 3 237.343 2.543 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C)C1 ZINC000768138463 585532599 /nfs/dbraw/zinc/53/25/99/585532599.db2.gz LMGPELDHXITTEZ-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C)C1 ZINC000768138463 585532600 /nfs/dbraw/zinc/53/26/00/585532600.db2.gz LMGPELDHXITTEZ-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1CCCCCC1 ZINC000768139439 585532775 /nfs/dbraw/zinc/53/27/75/585532775.db2.gz OZVKJNCPVXUASB-UHFFFAOYSA-N 0 3 235.327 2.777 20 10 BFCDHN CCOc1ccc([O-])c(C[NH+]2C3CCC2CC3)c1 ZINC000768227358 585534225 /nfs/dbraw/zinc/53/42/25/585534225.db2.gz FVIDBMLCXZVLCK-UHFFFAOYSA-N 0 3 247.338 2.918 20 10 BFCDHN CCC[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000768242817 585534645 /nfs/dbraw/zinc/53/46/45/585534645.db2.gz CKFSCMNHLZNEEG-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCC[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000768242817 585534646 /nfs/dbraw/zinc/53/46/46/585534646.db2.gz CKFSCMNHLZNEEG-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)C1CC1 ZINC000768420403 585538380 /nfs/dbraw/zinc/53/83/80/585538380.db2.gz DZARODQRYUESNR-SNVBAGLBSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)C1CC1 ZINC000768420403 585538381 /nfs/dbraw/zinc/53/83/81/585538381.db2.gz DZARODQRYUESNR-SNVBAGLBSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cc(C[NH+]2C3CCC2CC3)c([O-])cc1C ZINC000768442349 585538463 /nfs/dbraw/zinc/53/84/63/585538463.db2.gz SRCXRLRULOGNEV-UHFFFAOYSA-N 0 3 247.338 2.836 20 10 BFCDHN COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([O-])cc1C ZINC000768443300 585538469 /nfs/dbraw/zinc/53/84/69/585538469.db2.gz DVAVSHLWCNZMJN-SNVBAGLBSA-N 0 3 235.327 2.551 20 10 BFCDHN COc1cc(C[N@H+]2CC[C@@H](C)C2)c([O-])cc1C ZINC000768443300 585538470 /nfs/dbraw/zinc/53/84/70/585538470.db2.gz DVAVSHLWCNZMJN-SNVBAGLBSA-N 0 3 235.327 2.551 20 10 BFCDHN COc1cc(CN2CC=C(C)CC2)c(O)cc1C ZINC000768464923 585539148 /nfs/dbraw/zinc/53/91/48/585539148.db2.gz GMUCRKSRJVHDQI-UHFFFAOYSA-N 0 3 247.338 2.861 20 10 BFCDHN CCOc1ccc(C[N@H+](C)C2CCC2)c([O-])c1 ZINC000769443404 585556631 /nfs/dbraw/zinc/55/66/31/585556631.db2.gz ZAKCASMIVTWMQB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@@H+](C)C2CCC2)c([O-])c1 ZINC000769443404 585556632 /nfs/dbraw/zinc/55/66/32/585556632.db2.gz ZAKCASMIVTWMQB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CC1=CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000769447632 585556868 /nfs/dbraw/zinc/55/68/68/585556868.db2.gz UFPQVZYQDVULSQ-UHFFFAOYSA-N 0 3 230.355 2.905 20 10 BFCDHN CCC[N@H+](CC)Cc1c([O-])cccc1OC ZINC000771935820 585605006 /nfs/dbraw/zinc/60/50/06/585605006.db2.gz YZPBQSDQGLNEOI-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCC[N@@H+](CC)Cc1c([O-])cccc1OC ZINC000771935820 585605007 /nfs/dbraw/zinc/60/50/07/585605007.db2.gz YZPBQSDQGLNEOI-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C[C@@H]1CCOC1 ZINC000775654177 585682289 /nfs/dbraw/zinc/68/22/89/585682289.db2.gz UBEMGTLRLRGLSI-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C[C@@H]1CCOC1 ZINC000775654177 585682290 /nfs/dbraw/zinc/68/22/90/585682290.db2.gz UBEMGTLRLRGLSI-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]2C(C)C)c1 ZINC000775765365 585684199 /nfs/dbraw/zinc/68/41/99/585684199.db2.gz NFULEQOISDTNKG-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]2C(C)C)c1 ZINC000775765365 585684200 /nfs/dbraw/zinc/68/42/00/585684200.db2.gz NFULEQOISDTNKG-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN CC(C)[C@H]1CC[N@@H+]1Cc1ccccc1[O-] ZINC000779046296 585744794 /nfs/dbraw/zinc/74/47/94/585744794.db2.gz RZYKELKFLZUHJN-GFCCVEGCSA-N 0 3 205.301 2.623 20 10 BFCDHN CC(C)[C@H]1CC[N@H+]1Cc1ccccc1[O-] ZINC000779046296 585744795 /nfs/dbraw/zinc/74/47/95/585744795.db2.gz RZYKELKFLZUHJN-GFCCVEGCSA-N 0 3 205.301 2.623 20 10 BFCDHN Cc1ccc(O)c(CN2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000779148105 585745582 /nfs/dbraw/zinc/74/55/82/585745582.db2.gz GHAJSDFXIGVVSA-YPMHNXCESA-N 0 3 237.318 2.881 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCC=C(C)C ZINC000790991200 585971680 /nfs/dbraw/zinc/97/16/80/585971680.db2.gz MWXFZMVEWIIGBU-UHFFFAOYSA-N 0 3 235.327 2.847 20 10 BFCDHN COCCC1([NH2+]Cc2cccc(C)c2[O-])CCC1 ZINC000793329141 586016661 /nfs/dbraw/zinc/01/66/61/586016661.db2.gz ILZPUPDXCCMLGB-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000793346728 586017344 /nfs/dbraw/zinc/01/73/44/586017344.db2.gz JNLAGKOWBJOAHH-RYUDHWBXSA-N 0 3 249.354 2.927 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796491087 586105174 /nfs/dbraw/zinc/10/51/74/586105174.db2.gz SURQXTVIXNOUDZ-UHFFFAOYSA-N 0 3 245.244 2.824 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c([O-])c1 ZINC000809658414 586511317 /nfs/dbraw/zinc/51/13/17/586511317.db2.gz NAKSFDZBRYKOSW-ZIAGYGMSSA-N 0 3 249.354 2.925 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)c1[O-] ZINC000809739908 586515822 /nfs/dbraw/zinc/51/58/22/586515822.db2.gz GJEOCECQDATKNT-QWHCGFSZSA-N 0 3 249.354 2.925 20 10 BFCDHN COc1cccc(CN2CC3(C2)CCCC3)c1O ZINC000813332320 586600586 /nfs/dbraw/zinc/60/05/86/586600586.db2.gz VDBIRPOFIBRGDG-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN CC[C@H]1CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000814178931 586616174 /nfs/dbraw/zinc/61/61/74/586616174.db2.gz JIDOPIMODZRKRC-LBPRGKRZSA-N 0 3 236.334 2.876 20 10 BFCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000816647434 586748719 /nfs/dbraw/zinc/74/87/19/586748719.db2.gz SBKUFLKQAFWGQH-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000816647434 586748722 /nfs/dbraw/zinc/74/87/22/586748722.db2.gz SBKUFLKQAFWGQH-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648400 586750684 /nfs/dbraw/zinc/75/06/84/586750684.db2.gz JYXMZYMWKMFFSD-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648400 586750687 /nfs/dbraw/zinc/75/06/87/586750687.db2.gz JYXMZYMWKMFFSD-MNOVXSKESA-N 0 3 205.301 2.541 20 10 BFCDHN CC[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2[O-])CCO1 ZINC000817415756 586802615 /nfs/dbraw/zinc/80/26/15/586802615.db2.gz YANFGQRULZIJKV-ZIAGYGMSSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]2C2CC2)cc1C ZINC000824650220 587280876 /nfs/dbraw/zinc/28/08/76/587280876.db2.gz KVXXUSJGNUUKAZ-CQSZACIVSA-N 0 3 231.339 2.993 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]2C2CC2)cc1C ZINC000824650220 587280878 /nfs/dbraw/zinc/28/08/78/587280878.db2.gz KVXXUSJGNUUKAZ-CQSZACIVSA-N 0 3 231.339 2.993 20 10 BFCDHN COC1CC(CC[NH2+]Cc2cccc(C)c2[O-])C1 ZINC000826797831 587362669 /nfs/dbraw/zinc/36/26/69/587362669.db2.gz ZSWYFWWGFNSGDE-UHFFFAOYSA-N 0 3 249.354 2.605 20 10 BFCDHN CN(C)c1ccc(CN2CC[C@H]3C[C@H]3C2)cc1F ZINC000827506567 587384669 /nfs/dbraw/zinc/38/46/69/587384669.db2.gz ITSNGQKZBCSUMP-STQMWFEESA-N 0 3 248.345 2.734 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827506796 587384859 /nfs/dbraw/zinc/38/48/59/587384859.db2.gz MKQUVGMZAGGEKT-VXGBXAGGSA-N 0 3 247.338 2.633 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827506796 587384860 /nfs/dbraw/zinc/38/48/60/587384860.db2.gz MKQUVGMZAGGEKT-VXGBXAGGSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CC1(C)C ZINC000827942362 587411878 /nfs/dbraw/zinc/41/18/78/587411878.db2.gz PEIOMSSYDPXJRJ-LLVKDONJSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CC1(C)C ZINC000827942362 587411880 /nfs/dbraw/zinc/41/18/80/587411880.db2.gz PEIOMSSYDPXJRJ-LLVKDONJSA-N 0 3 249.354 2.879 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCC1CC(F)(F)C1 ZINC000835060038 587779960 /nfs/dbraw/zinc/77/99/60/587779960.db2.gz HWUUUIIPOPIVRB-UHFFFAOYSA-N 0 3 241.281 2.917 20 10 BFCDHN CCOc1cccc(CN2CC(CC)C2)c1O ZINC000835074069 587780204 /nfs/dbraw/zinc/78/02/04/587780204.db2.gz GQYPWUKXWGTJPO-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1cccc(C[NH+]2CC(CC)C2)c1[O-] ZINC000835074069 587780205 /nfs/dbraw/zinc/78/02/05/587780205.db2.gz GQYPWUKXWGTJPO-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCC1CN(Cc2ccc(N(C)C)cc2)C1 ZINC000835075129 587780245 /nfs/dbraw/zinc/78/02/45/587780245.db2.gz PLQOXMWTAUSFBI-UHFFFAOYSA-N 0 3 218.344 2.594 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000840762921 587920548 /nfs/dbraw/zinc/92/05/48/587920548.db2.gz CDRAUWLGGXWTNN-UPJWGTAASA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000840759059 587920616 /nfs/dbraw/zinc/92/06/16/587920616.db2.gz SZWGUQPTBKHXFF-YNEHKIRRSA-N 0 3 249.354 2.573 20 10 BFCDHN COCC[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000840836945 587924603 /nfs/dbraw/zinc/92/46/03/587924603.db2.gz LTJMSRRHRHAUQT-RYUDHWBXSA-N 0 3 237.343 2.715 20 10 BFCDHN COCC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000840836943 587924680 /nfs/dbraw/zinc/92/46/80/587924680.db2.gz LTJMSRRHRHAUQT-NEPJUHHUSA-N 0 3 237.343 2.715 20 10 BFCDHN Cc1cc(N(C)C)ccc1CN1CC(C)C1 ZINC000840940909 587930833 /nfs/dbraw/zinc/93/08/33/587930833.db2.gz JTONMZYYIGWDQO-UHFFFAOYSA-N 0 3 218.344 2.513 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1 ZINC000841759421 587974412 /nfs/dbraw/zinc/97/44/12/587974412.db2.gz NTSQAWHRKGMDJB-SLEUVZQESA-N 0 3 249.354 2.573 20 10 BFCDHN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000842760883 588060374 /nfs/dbraw/zinc/06/03/74/588060374.db2.gz NHANHRWDBRMTGX-BETUJISGSA-N 0 3 249.354 2.828 20 10 BFCDHN CC[N@H+](CCSC)Cc1cc(C)ccc1[O-] ZINC000843437862 588110308 /nfs/dbraw/zinc/11/03/08/588110308.db2.gz XXDFCVOHZAVZFF-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CC[N@@H+](CCSC)Cc1cc(C)ccc1[O-] ZINC000843437862 588110309 /nfs/dbraw/zinc/11/03/09/588110309.db2.gz XXDFCVOHZAVZFF-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118616 588257793 /nfs/dbraw/zinc/25/77/93/588257793.db2.gz YCVINPWJFUZCGL-GFCCVEGCSA-N 0 3 239.265 2.623 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118616 588257794 /nfs/dbraw/zinc/25/77/94/588257794.db2.gz YCVINPWJFUZCGL-GFCCVEGCSA-N 0 3 239.265 2.623 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]CC2CCC2)c1[O-] ZINC000846144048 588258499 /nfs/dbraw/zinc/25/84/99/588258499.db2.gz KTQBMJAAKFWYAN-JTQLQIEISA-N 0 3 235.327 2.852 20 10 BFCDHN CC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846137287 588258604 /nfs/dbraw/zinc/25/86/04/588258604.db2.gz MZCCJRIFGNVGCR-VHSXEESVSA-N 0 3 223.316 2.850 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C2CC=CC2)c1[O-] ZINC000846149786 588258750 /nfs/dbraw/zinc/25/87/50/588258750.db2.gz LZNPGJKPGODFEY-JTQLQIEISA-N 0 3 233.311 2.770 20 10 BFCDHN C[C@H]([NH2+]CCC1(CO)CCC1)c1ccccc1[O-] ZINC000846210427 588260167 /nfs/dbraw/zinc/26/01/67/588260167.db2.gz MXENANXCJHJCKM-LBPRGKRZSA-N 0 3 249.354 2.596 20 10 BFCDHN CCc1cccc(C[N@@H+]2CCC2(C)C)c1[O-] ZINC000848887150 588416848 /nfs/dbraw/zinc/41/68/48/588416848.db2.gz OXLDRINUPOCEIR-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1cccc(C[N@H+]2CCC2(C)C)c1[O-] ZINC000848887150 588416849 /nfs/dbraw/zinc/41/68/49/588416849.db2.gz OXLDRINUPOCEIR-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCC(C)(C)F ZINC000850374536 588541496 /nfs/dbraw/zinc/54/14/96/588541496.db2.gz LTCJTXWDEMNRLI-UHFFFAOYSA-N 0 3 241.306 2.629 20 10 BFCDHN CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000850393182 588543981 /nfs/dbraw/zinc/54/39/81/588543981.db2.gz PRNCFYNEXJNBNU-NHAGDIPZSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850508857 588554159 /nfs/dbraw/zinc/55/41/59/588554159.db2.gz PDISZHYBCIZRAR-GHMZBOCLSA-N 0 3 233.311 2.770 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCC12CC2 ZINC000865656296 589454522 /nfs/dbraw/zinc/45/45/22/589454522.db2.gz NLTBURLIGKSZON-CQSZACIVSA-N 0 3 247.338 2.823 20 10 BFCDHN CC(C)(F)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000866408985 589490971 /nfs/dbraw/zinc/49/09/71/589490971.db2.gz GXQDYRLSUSARBS-JTQLQIEISA-N 0 3 223.291 2.717 20 10 BFCDHN COc1cccc([C@H](C)NCC(C)(C)F)c1O ZINC000866410128 589491286 /nfs/dbraw/zinc/49/12/86/589491286.db2.gz WRIFCKNWLDKYIR-VIFPVBQESA-N 0 3 241.306 2.800 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccnn1C ZINC000866613674 589505099 /nfs/dbraw/zinc/50/50/99/589505099.db2.gz UYEUJPXVGGSBIR-GHMZBOCLSA-N 0 3 245.326 2.538 20 10 BFCDHN C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000121994764 589546712 /nfs/dbraw/zinc/54/67/12/589546712.db2.gz IVYURVLRGWLSKL-JQWIXIFHSA-N 0 3 205.301 2.670 20 10 BFCDHN CCC(CC)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000123023906 589653014 /nfs/dbraw/zinc/65/30/14/589653014.db2.gz LMLQBCXVTPVMQQ-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN CC(C)OC1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000873167723 589988947 /nfs/dbraw/zinc/98/89/47/589988947.db2.gz ZFNVYBKCDVNLLK-UHFFFAOYSA-N 0 3 249.354 2.830 20 10 BFCDHN CC[C@@H]1CO[C@H](C)CN1Cc1cccc(C)c1O ZINC000124511436 590037233 /nfs/dbraw/zinc/03/72/33/590037233.db2.gz QSMVFYSMZZZXEY-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cccnc1 ZINC000020127537 590076546 /nfs/dbraw/zinc/07/65/46/590076546.db2.gz YAAVYONKYXTZRP-NSHDSACASA-N 0 3 228.295 2.638 20 10 BFCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])CC1CC1 ZINC000125660487 590176911 /nfs/dbraw/zinc/17/69/11/590176911.db2.gz TYKLYCPSERRNPW-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[N@H+](Cc1cccc(OC)c1[O-])CC1CC1 ZINC000125660487 590176912 /nfs/dbraw/zinc/17/69/12/590176912.db2.gz TYKLYCPSERRNPW-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1(C2CC2)CC1 ZINC000125843849 590193491 /nfs/dbraw/zinc/19/34/91/590193491.db2.gz KPROXVWAFWTBCD-UHFFFAOYSA-N 0 3 217.312 2.672 20 10 BFCDHN CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000876536152 590211331 /nfs/dbraw/zinc/21/13/31/590211331.db2.gz NYZMUJHJZHEBTK-QWHCGFSZSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000876536152 590211333 /nfs/dbraw/zinc/21/13/33/590211333.db2.gz NYZMUJHJZHEBTK-QWHCGFSZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)CC(C)C ZINC000876564098 590216542 /nfs/dbraw/zinc/21/65/42/590216542.db2.gz PHQKVHJRRNPLEV-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)CC(C)C ZINC000876564098 590216543 /nfs/dbraw/zinc/21/65/43/590216543.db2.gz PHQKVHJRRNPLEV-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000876696835 590231565 /nfs/dbraw/zinc/23/15/65/590231565.db2.gz ZCUNPQNIPGIXPW-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000876696835 590231566 /nfs/dbraw/zinc/23/15/66/590231566.db2.gz ZCUNPQNIPGIXPW-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725048 590233152 /nfs/dbraw/zinc/23/31/52/590233152.db2.gz CSDIHUDORWEFQD-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725048 590233154 /nfs/dbraw/zinc/23/31/54/590233154.db2.gz CSDIHUDORWEFQD-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725047 590233408 /nfs/dbraw/zinc/23/34/08/590233408.db2.gz CSDIHUDORWEFQD-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725047 590233409 /nfs/dbraw/zinc/23/34/09/590233409.db2.gz CSDIHUDORWEFQD-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(O)c1CN(C)Cc1cccn1C ZINC000876759464 590238952 /nfs/dbraw/zinc/23/89/52/590238952.db2.gz KIEHASALNFRTAH-UHFFFAOYSA-N 0 3 244.338 2.671 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)c([O-])c1 ZINC000876779627 590240451 /nfs/dbraw/zinc/24/04/51/590240451.db2.gz ALQPSHNDQFUQBK-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c([O-])c1 ZINC000876779627 590240453 /nfs/dbraw/zinc/24/04/53/590240453.db2.gz ALQPSHNDQFUQBK-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN CCOC[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876788752 590240893 /nfs/dbraw/zinc/24/08/93/590240893.db2.gz JFJRVPDFAYBWEW-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CCOC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876788752 590240894 /nfs/dbraw/zinc/24/08/94/590240894.db2.gz JFJRVPDFAYBWEW-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCc1ccco1 ZINC000876894146 590254976 /nfs/dbraw/zinc/25/49/76/590254976.db2.gz PMMUURCFJZOJHD-UHFFFAOYSA-N 0 3 231.295 2.626 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCCOCC1CC1 ZINC000876900860 590255728 /nfs/dbraw/zinc/25/57/28/590255728.db2.gz SISFVBIYRBLILD-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2c(C)cccc2[O-])cn1 ZINC000876940148 590259452 /nfs/dbraw/zinc/25/94/52/590259452.db2.gz PMHPYJYDXALPQV-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CCOc1cccc(C[NH2+]C(C)(C)C)c1[O-] ZINC000021957791 590263003 /nfs/dbraw/zinc/26/30/03/590263003.db2.gz JIWAYRIGLMZWIT-UHFFFAOYSA-N 0 3 223.316 2.679 20 10 BFCDHN CCCCOCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876986412 590265397 /nfs/dbraw/zinc/26/53/97/590265397.db2.gz CJNRULOXWLNQNC-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN CO[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])C1(C)C ZINC000877075413 590278762 /nfs/dbraw/zinc/27/87/62/590278762.db2.gz BIPZNWJMLOTWEY-UONOGXRCSA-N 0 3 249.354 2.604 20 10 BFCDHN CO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877075663 590278772 /nfs/dbraw/zinc/27/87/72/590278772.db2.gz DRIVYWDAXOUTJJ-UONOGXRCSA-N 0 3 249.354 2.604 20 10 BFCDHN CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877075662 590278956 /nfs/dbraw/zinc/27/89/56/590278956.db2.gz DRIVYWDAXOUTJJ-KGLIPLIRSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCOC2)c([O-])c1 ZINC000877094800 590281834 /nfs/dbraw/zinc/28/18/34/590281834.db2.gz TVUPRTNTWSYSDU-CHWSQXEVSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]CCC2CCC2)c([O-])c1 ZINC000877103610 590284143 /nfs/dbraw/zinc/28/41/43/590284143.db2.gz QIJSJGPURSYBJM-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN CS[C@@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877111042 590287563 /nfs/dbraw/zinc/28/75/63/590287563.db2.gz CVIKMCQXXFJILM-JTQLQIEISA-N 0 3 225.357 2.542 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H]1CCCO1 ZINC000877123384 590289757 /nfs/dbraw/zinc/28/97/57/590289757.db2.gz JUHLJWZKSKESMM-ZFWWWQNUSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000877135140 590291108 /nfs/dbraw/zinc/29/11/08/590291108.db2.gz QROPEEMCQRMUFG-OLZOCXBDSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877132264 590291211 /nfs/dbraw/zinc/29/12/11/590291211.db2.gz YXSQMQJPKTXWBP-HIFRSBDPSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@H]2CCCCO2)c([O-])c1 ZINC000877186091 590298621 /nfs/dbraw/zinc/29/86/21/590298621.db2.gz KQTDWCMOGPYOCG-CQSZACIVSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1ccc(C[NH2+]CCOCC2CCC2)c([O-])c1 ZINC000877374369 590319910 /nfs/dbraw/zinc/31/99/10/590319910.db2.gz HLFGQSUDPXBWLC-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN CCOC(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877460862 590331876 /nfs/dbraw/zinc/33/18/76/590331876.db2.gz YHOZMAOBXUNNLV-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN CC[C@]1(C)CN(Cc2ccc(C)cc2O)CCO1 ZINC000877463438 590332098 /nfs/dbraw/zinc/33/20/98/590332098.db2.gz DBGZKQRVOARLKE-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(CN2CC(C)(C)OC[C@@H]2C)c(O)c1 ZINC000877474899 590336079 /nfs/dbraw/zinc/33/60/79/590336079.db2.gz JBTRCNUOVUZVJG-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H]1C ZINC000877524324 590346334 /nfs/dbraw/zinc/34/63/34/590346334.db2.gz UXMBGAGPYSPKSL-ZYHUDNBSSA-N 0 3 205.301 2.589 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877566004 590361100 /nfs/dbraw/zinc/36/11/00/590361100.db2.gz UHBTYVDAABXZFD-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877566004 590361103 /nfs/dbraw/zinc/36/11/03/590361103.db2.gz UHBTYVDAABXZFD-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2cnccc2C)c([O-])c1 ZINC000877566859 590361312 /nfs/dbraw/zinc/36/13/12/590361312.db2.gz AHVUTBQSEKDSBC-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CCC1(C)C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC000877582215 590366172 /nfs/dbraw/zinc/36/61/72/590366172.db2.gz NJKOHFZVPXDUNM-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c([O-])c1 ZINC000877583144 590367276 /nfs/dbraw/zinc/36/72/76/590367276.db2.gz FESYQWPCBFGTGR-OKILXGFUSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC1(C)C ZINC000877588579 590368814 /nfs/dbraw/zinc/36/88/14/590368814.db2.gz SSFKWACJQKQBKW-LBPRGKRZSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000877590300 590368952 /nfs/dbraw/zinc/36/89/52/590368952.db2.gz YNKOISKRKDONTQ-DYEKYZERSA-N 0 3 249.354 2.604 20 10 BFCDHN CC[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877596663 590369600 /nfs/dbraw/zinc/36/96/00/590369600.db2.gz VVLDFRKMEQIEGM-OLZOCXBDSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@@H]1CN(Cc2ccc(C)cc2O)[C@H](C)CO1 ZINC000877611165 590373125 /nfs/dbraw/zinc/37/31/25/590373125.db2.gz XJTXUZCUTVFXOQ-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(CN2CCC[C@@H](F)C2)c(O)c1 ZINC000877617029 590375211 /nfs/dbraw/zinc/37/52/11/590375211.db2.gz QWNFRJQHLLYKPF-GFCCVEGCSA-N 0 3 223.291 2.635 20 10 BFCDHN Cc1cccc(O)c1CN1CC2(CC2(F)F)C1 ZINC000877617719 590375458 /nfs/dbraw/zinc/37/54/58/590375458.db2.gz SXKUWWJUTWCFOB-UHFFFAOYSA-N 0 3 239.265 2.542 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C=CCC2)c([O-])c1 ZINC000877624136 590376889 /nfs/dbraw/zinc/37/68/89/590376889.db2.gz KZMFRZSPGHVGDA-GFCCVEGCSA-N 0 3 203.285 2.509 20 10 BFCDHN Cc1ccc(C[NH2+]Cc2cccnc2C)c([O-])c1 ZINC000877655607 590384724 /nfs/dbraw/zinc/38/47/24/590384724.db2.gz DHSQYANHUMASDL-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc(C[NH2+]CC(C)(C)F)c([O-])c1 ZINC000877663276 590387376 /nfs/dbraw/zinc/38/73/76/590387376.db2.gz NJWCBEPWIPEFEH-UHFFFAOYSA-N 0 3 211.280 2.538 20 10 BFCDHN CC[C@@](C)(C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702734 590396609 /nfs/dbraw/zinc/39/66/09/590396609.db2.gz FSTVJEVTRVNMGG-AWEZNQCLSA-N 0 3 235.327 2.523 20 10 BFCDHN CC[C@@](C)(C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702734 590396610 /nfs/dbraw/zinc/39/66/10/590396610.db2.gz FSTVJEVTRVNMGG-AWEZNQCLSA-N 0 3 235.327 2.523 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1[O-] ZINC000877755414 590416616 /nfs/dbraw/zinc/41/66/16/590416616.db2.gz AJDHMSXOSJETMR-XQQFMLRXSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1[O-] ZINC000877755876 590417775 /nfs/dbraw/zinc/41/77/75/590417775.db2.gz PVXXIYGJWZOBRI-HOSYDEDBSA-N 0 3 237.368 2.794 20 10 BFCDHN CCOC1CC(C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755836 590418035 /nfs/dbraw/zinc/41/80/35/590418035.db2.gz OJWHRZARTHRQPT-PNESKVBLSA-N 0 3 249.354 2.858 20 10 BFCDHN CCCC[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132427007 591707796 /nfs/dbraw/zinc/70/77/96/591707796.db2.gz ZVUTYMLXBFJCAL-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCCC[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132427007 591707800 /nfs/dbraw/zinc/70/78/00/591707800.db2.gz ZVUTYMLXBFJCAL-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000136403335 592117058 /nfs/dbraw/zinc/11/70/58/592117058.db2.gz PMKJTTDJXWBMMK-JTQLQIEISA-N 0 3 205.301 2.528 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000310344662 632726156 /nfs/dbraw/zinc/72/61/56/632726156.db2.gz OWPDZLOTLDSINK-VXGBXAGGSA-N 0 3 249.379 2.865 20 10 BFCDHN C[C@@H]([NH2+]CCC1CCOCC1)c1ccccc1[O-] ZINC000310739237 632928700 /nfs/dbraw/zinc/92/87/00/632928700.db2.gz QKPULTOPUDTKCQ-GFCCVEGCSA-N 0 3 249.354 2.860 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CCCO1)CC2 ZINC000310845400 633010380 /nfs/dbraw/zinc/01/03/80/633010380.db2.gz LIVPRMQXJYUTHC-CHWSQXEVSA-N 0 3 247.338 2.538 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+]C2CC2)c2c1c(F)ccc2[O-] ZINC000309807651 633764894 /nfs/dbraw/zinc/76/48/94/633764894.db2.gz SPLAFBVWGGRNMN-GMSGAONNSA-N 0 3 221.275 2.832 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+]C2CC2)c2c1c(F)ccc2[O-] ZINC000309807655 633766071 /nfs/dbraw/zinc/76/60/71/633766071.db2.gz SPLAFBVWGGRNMN-XCBNKYQSSA-N 0 3 221.275 2.832 20 10 BFCDHN CC[C@@](C)(C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000322987084 636885369 /nfs/dbraw/zinc/88/53/69/636885369.db2.gz CBVHXLCTKOTERI-RISCZKNCSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040672178 636935736 /nfs/dbraw/zinc/93/57/36/636935736.db2.gz SSLXAEKQZHTVJG-GXTWGEPZSA-N 0 3 248.370 2.527 20 10 BFCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311139059 640412083 /nfs/dbraw/zinc/41/20/83/640412083.db2.gz FQNXOHCCAAYEDB-MBNYWOFBSA-N 0 3 247.338 2.537 20 10 BFCDHN CCOC[C@H](C)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000044689245 640449287 /nfs/dbraw/zinc/44/92/87/640449287.db2.gz KJLZBUFWBPREDU-WCQYABFASA-N 0 3 237.343 2.858 20 10 BFCDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000226586285 640778451 /nfs/dbraw/zinc/77/84/51/640778451.db2.gz RQKOXQKJJCKKEK-SECBINFHSA-N 0 3 223.291 2.667 20 10 BFCDHN Oc1ccccc1CN[C@@H]1CCc2cccnc21 ZINC000226830855 640800434 /nfs/dbraw/zinc/80/04/34/640800434.db2.gz QVLILZIHURYXOT-CYBMUJFWSA-N 0 3 240.306 2.564 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000226830855 640800438 /nfs/dbraw/zinc/80/04/38/640800438.db2.gz QVLILZIHURYXOT-CYBMUJFWSA-N 0 3 240.306 2.564 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(F)ccc1[O-] ZINC000087111367 640846068 /nfs/dbraw/zinc/84/60/68/640846068.db2.gz SCAXDURHSOMVBS-IUCAKERBSA-N 0 3 223.291 2.980 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1[O-] ZINC000228790104 640894902 /nfs/dbraw/zinc/89/49/02/640894902.db2.gz CMHGRIPQVGLQHB-HBNTYKKESA-N 0 3 205.301 2.699 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCCS1)c1ccccc1[O-] ZINC000087667550 640963914 /nfs/dbraw/zinc/96/39/14/640963914.db2.gz YMHFCQUMVGRTHP-WDEREUQCSA-N 0 3 237.368 2.938 20 10 BFCDHN C[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000230406102 641051314 /nfs/dbraw/zinc/05/13/14/641051314.db2.gz CTKHLNMSDBWQQG-NWDGAFQWSA-N 0 3 219.328 2.918 20 10 BFCDHN CC[C@@H]1COCCN1Cc1cc(C)c(C)cc1O ZINC000151870814 641469990 /nfs/dbraw/zinc/46/99/90/641469990.db2.gz RJBAIXTYSNXYNH-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccccc1[O-] ZINC000306097522 642721794 /nfs/dbraw/zinc/72/17/94/642721794.db2.gz NJOTUXYCQOQITI-XQQFMLRXSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@@H]([NH2+]CCCF)c1ccccc1[O-] ZINC000183345749 643109008 /nfs/dbraw/zinc/10/90/08/643109008.db2.gz KTXYHLXIMUIMOH-LLVKDONJSA-N 0 3 211.280 2.793 20 10 BFCDHN CCCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000083345240 643434609 /nfs/dbraw/zinc/43/46/09/643434609.db2.gz JUYQYXMQUAIICI-UHFFFAOYSA-N 0 3 207.317 2.980 20 10 BFCDHN COCCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000044656564 643547058 /nfs/dbraw/zinc/54/70/58/643547058.db2.gz NRQGBWPTBAACAO-LBPRGKRZSA-N 0 3 237.343 2.778 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCS1 ZINC000922843672 644117738 /nfs/dbraw/zinc/11/77/38/644117738.db2.gz SNNIPEVHNLYRIU-PWSUYJOCSA-N 0 3 237.368 2.766 20 10 BFCDHN Cc1cc(C)c(O)c(CN2CCO[C@H](C)[C@H]2C)c1 ZINC000246049417 644182730 /nfs/dbraw/zinc/18/27/30/644182730.db2.gz AUSHWDOJRVJUBK-CHWSQXEVSA-N 0 3 249.354 2.618 20 10 BFCDHN CC(C)[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000081044660 644300956 /nfs/dbraw/zinc/30/09/56/644300956.db2.gz FTCQKNNYLMUGNI-LLVKDONJSA-N 0 3 207.317 2.774 20 10 BFCDHN C[C@H](NCc1ccco1)c1cc(F)ccc1O ZINC000094616533 644720613 /nfs/dbraw/zinc/72/06/13/644720613.db2.gz ZFCNRRUFCIFROF-VIFPVBQESA-N 0 3 235.258 2.975 20 10 BFCDHN CCC[C@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000927019833 645518123 /nfs/dbraw/zinc/51/81/23/645518123.db2.gz UUTMFFXNZXZPGQ-NEPJUHHUSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000387803117 712003688 /nfs/dbraw/zinc/00/36/88/712003688.db2.gz INAYFKRJEBCFNR-PWSUYJOCSA-N 0 3 205.301 2.528 20 10 BFCDHN CCC[C@H](C[NH2+]Cc1ccccc1[O-])OCC ZINC000705340850 712129412 /nfs/dbraw/zinc/12/94/12/712129412.db2.gz QDEPCYBFOIJILA-CYBMUJFWSA-N 0 3 237.343 2.687 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC12CC2)c1ccccc1[O-] ZINC000715369218 712521634 /nfs/dbraw/zinc/52/16/34/712521634.db2.gz IASINILKQVEVEL-JOYOIKCWSA-N 0 3 203.285 2.595 20 10 BFCDHN CC1(C)CC(C[NH2+]Cc2ccccc2[O-])C1 ZINC000381482116 710643406 /nfs/dbraw/zinc/64/34/06/710643406.db2.gz TUOZVMKNDLOHFR-UHFFFAOYSA-N 0 3 219.328 2.918 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CC12CCCC2 ZINC000381571272 710655895 /nfs/dbraw/zinc/65/58/95/710655895.db2.gz XHKFHZUFTWBPHG-ZDUSSCGKSA-N 0 3 217.312 2.815 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000381675873 710670674 /nfs/dbraw/zinc/67/06/74/710670674.db2.gz LOQRFBPOVBXDGZ-LLVKDONJSA-N 0 3 241.281 2.917 20 10 BFCDHN CCCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000389403087 711078255 /nfs/dbraw/zinc/07/82/55/711078255.db2.gz QDMQCKCGJFICRO-OLZOCXBDSA-N 0 3 248.370 2.527 20 10 BFCDHN CC[C@@H]([NH2+]CC1(CC)COC1)c1ccccc1[O-] ZINC000393981798 711180082 /nfs/dbraw/zinc/18/00/82/711180082.db2.gz CCYYAFFHVNDEMG-CYBMUJFWSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H](C)CC[NH2+]Cc1ccccc1[O-] ZINC000394399365 711191405 /nfs/dbraw/zinc/19/14/05/711191405.db2.gz GKYSFPGNKFOFGM-NSHDSACASA-N 0 3 207.317 2.918 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c([O-])c1 ZINC000398143688 711403339 /nfs/dbraw/zinc/40/33/39/711403339.db2.gz KMUAAEWPXMAGSM-AVGNSLFASA-N 0 3 249.354 2.919 20 10 BFCDHN COC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)C ZINC000386521985 711031665 /nfs/dbraw/zinc/03/16/65/711031665.db2.gz NSMZBICEOBNADM-CHWSQXEVSA-N 0 3 249.354 2.640 20 10 BFCDHN CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000389983117 711101880 /nfs/dbraw/zinc/10/18/80/711101880.db2.gz KKCKLFTZLULHOG-ZYHUDNBSSA-N 0 3 205.301 2.670 20 10 BFCDHN CC[C@@H]([NH2+]CC1=CCOCC1)c1ccccc1[O-] ZINC000397712733 711389231 /nfs/dbraw/zinc/38/92/31/711389231.db2.gz QEWQRZAVXWCLKY-CQSZACIVSA-N 0 3 247.338 2.780 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CS1 ZINC000397870291 711394238 /nfs/dbraw/zinc/39/42/38/711394238.db2.gz SJYGOXMAKVZVCU-YUSALJHKSA-N 0 3 249.379 2.863 20 10 BFCDHN C[C@@H]([NH2+]CCOC(F)(F)F)c1ccccc1[O-] ZINC000398253854 711405120 /nfs/dbraw/zinc/40/51/20/711405120.db2.gz PAOUXGCPMIGSDP-MRVPVSSYSA-N 0 3 249.232 2.579 20 10 BFCDHN CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccccc1[O-] ZINC000386339304 711515326 /nfs/dbraw/zinc/51/53/26/711515326.db2.gz NLRNYECLUNCJLA-HIFRSBDPSA-N 0 3 249.354 2.594 20 10 BFCDHN C/C=C\C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000395202206 711693186 /nfs/dbraw/zinc/69/31/86/711693186.db2.gz GHAKWEMBLBHCIH-ZBJFTSOASA-N 0 3 209.264 2.758 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CCO)CC2)c1 ZINC000157485350 711828342 /nfs/dbraw/zinc/82/83/42/711828342.db2.gz UTWZRBUCDLSWNX-GFCCVEGCSA-N 0 3 249.354 2.514 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCC2CC(O)C2)c([O-])c1 ZINC000702443980 712054014 /nfs/dbraw/zinc/05/40/14/712054014.db2.gz WLUPBGSKYFUMEK-HIFPTAJRSA-N 0 3 249.354 2.512 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOC1CCC1)CC2 ZINC000709807601 712228330 /nfs/dbraw/zinc/22/83/30/712228330.db2.gz NSJIOLZNBFCJLM-CYBMUJFWSA-N 0 3 247.338 2.538 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c([O-])c1 ZINC000710163083 712247090 /nfs/dbraw/zinc/24/70/90/712247090.db2.gz WGNJTXAVQLOGOE-NEPJUHHUSA-N 0 3 249.354 2.512 20 10 BFCDHN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000714467360 712491323 /nfs/dbraw/zinc/49/13/23/712491323.db2.gz ZUONBMRVEBYEJG-RWMBFGLXSA-N 0 3 249.354 2.776 20 10 BFCDHN COc1ccc(C[NH2+]C2CC(C(C)C)C2)c([O-])c1 ZINC000714680858 712495782 /nfs/dbraw/zinc/49/57/82/712495782.db2.gz JQOYFNYXCBULBS-UHFFFAOYSA-N 0 3 249.354 2.925 20 10 BFCDHN Cc1n[nH]c(C[NH2+][C@@H](C)c2ccccc2[O-])c1C ZINC000716440198 712560671 /nfs/dbraw/zinc/56/06/71/712560671.db2.gz MHOBIESBMBNROK-NSHDSACASA-N 0 3 245.326 2.583 20 10 BFCDHN CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccccc1[O-] ZINC000716461798 712562760 /nfs/dbraw/zinc/56/27/60/712562760.db2.gz QIHQARNXBWSSPO-ZDUSSCGKSA-N 0 3 245.326 2.665 20 10 BFCDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000716576401 712564216 /nfs/dbraw/zinc/56/42/16/712564216.db2.gz ILTBUASZWYBMBQ-VZZFWQQMSA-N 0 3 231.339 2.774 20 10 BFCDHN CCC[C@@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000716872063 712579619 /nfs/dbraw/zinc/57/96/19/712579619.db2.gz LKSPJTQDLZNBGY-STQMWFEESA-N 0 3 249.354 2.520 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1[O-] ZINC000379960880 712636809 /nfs/dbraw/zinc/63/68/09/712636809.db2.gz BRJNZRAQNKXLEW-RYUDHWBXSA-N 0 3 233.311 2.736 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCC2)c([O-])c1 ZINC000717617664 712662862 /nfs/dbraw/zinc/66/28/62/712662862.db2.gz YLGURAUVDZENKA-FZMZJTMJSA-N 0 3 249.354 2.512 20 10 BFCDHN COCC[N@H+](Cc1c(C)cccc1[O-])C(C)C ZINC001237490004 979916614 /nfs/dbraw/zinc/91/66/14/979916614.db2.gz OTOQVUVGYSTZOU-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COCC[N@@H+](Cc1c(C)cccc1[O-])C(C)C ZINC001237490004 979916618 /nfs/dbraw/zinc/91/66/18/979916618.db2.gz OTOQVUVGYSTZOU-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN CCCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201737184 983446146 /nfs/dbraw/zinc/44/61/46/983446146.db2.gz HBTXFCSOUUPKIU-UHFFFAOYSA-N 0 3 219.328 2.941 20 10 BFCDHN CCCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001201737184 983446151 /nfs/dbraw/zinc/44/61/51/983446151.db2.gz HBTXFCSOUUPKIU-UHFFFAOYSA-N 0 3 219.328 2.941 20 10 BFCDHN Cc1ccc(F)c(Nc2ccncc2C)c1O ZINC001215736163 970819787 /nfs/dbraw/zinc/81/97/87/970819787.db2.gz RYBBFAXUZQSPEQ-UHFFFAOYSA-N 0 3 232.258 2.709 20 10 BFCDHN Cc1cnccc1Nc1cc(Cl)ccc1O ZINC001216396501 971072845 /nfs/dbraw/zinc/07/28/45/971072845.db2.gz KJHLMWOMGPOYLZ-UHFFFAOYSA-N 0 3 234.686 2.915 20 10 BFCDHN C[C@@H](NCc1ccns1)c1ccccc1O ZINC000404327559 971158943 /nfs/dbraw/zinc/15/89/43/971158943.db2.gz NKAVMDWDBWRZGQ-SECBINFHSA-N 0 3 234.324 2.700 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccns1)c1ccccc1[O-] ZINC000404327559 971158947 /nfs/dbraw/zinc/15/89/47/971158947.db2.gz NKAVMDWDBWRZGQ-SECBINFHSA-N 0 3 234.324 2.700 20 10 BFCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCCSC1)CC2 ZINC001257681377 971486196 /nfs/dbraw/zinc/48/61/96/971486196.db2.gz OOAZZNYPVRUDBI-LBPRGKRZSA-N 0 3 249.379 2.646 20 10 BFCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCCSC1)CC2 ZINC001257681377 971486200 /nfs/dbraw/zinc/48/62/00/971486200.db2.gz OOAZZNYPVRUDBI-LBPRGKRZSA-N 0 3 249.379 2.646 20 10 BFCDHN CS[C@H](C)CC[N@H+](C)Cc1ccccc1[O-] ZINC001208156738 957040150 /nfs/dbraw/zinc/04/01/50/957040150.db2.gz YKZJDFOZJUSRSB-LLVKDONJSA-N 0 3 239.384 2.966 20 10 BFCDHN CS[C@H](C)CC[N@@H+](C)Cc1ccccc1[O-] ZINC001208156738 957040156 /nfs/dbraw/zinc/04/01/56/957040156.db2.gz YKZJDFOZJUSRSB-LLVKDONJSA-N 0 3 239.384 2.966 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000693265077 958142126 /nfs/dbraw/zinc/14/21/26/958142126.db2.gz AIWSRGASRKMUHA-ZWNOBZJWSA-N 0 3 221.275 2.564 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000693285704 958180942 /nfs/dbraw/zinc/18/09/42/958180942.db2.gz RBVLKZCWTKIHDZ-BXUZGUMPSA-N 0 3 235.302 2.954 20 10 BFCDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)[C@H](C)CO1 ZINC000403890854 958908713 /nfs/dbraw/zinc/90/87/13/958908713.db2.gz RBNNVWOQTYFVOB-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(CN2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001140948229 960749349 /nfs/dbraw/zinc/74/93/49/960749349.db2.gz YYEXUQAZTYFUSD-ZYHUDNBSSA-N 0 3 223.291 2.633 20 10 BFCDHN CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950759 960756842 /nfs/dbraw/zinc/75/68/42/960756842.db2.gz HACKFQGNMZHAJQ-CYBMUJFWSA-N 0 3 247.338 2.502 20 10 BFCDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950759 960756855 /nfs/dbraw/zinc/75/68/55/960756855.db2.gz HACKFQGNMZHAJQ-CYBMUJFWSA-N 0 3 247.338 2.502 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C=CCC1)CC2 ZINC000698268846 965169020 /nfs/dbraw/zinc/16/90/20/965169020.db2.gz ZOOFGUGAUTXHFQ-RYUDHWBXSA-N 0 3 215.296 2.688 20 10 BFCDHN [O-]c1ccccc1C[NH2+]Cc1ccsc1 ZINC000060942070 965309927 /nfs/dbraw/zinc/30/99/27/965309927.db2.gz QITGOUQMWCOXMO-UHFFFAOYSA-N 0 3 219.309 2.744 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](OC)C2)c([O-])c1 ZINC001236784345 966533005 /nfs/dbraw/zinc/53/30/05/966533005.db2.gz UZYYDFOBGKRABB-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@@H](OC)C2)c([O-])c1 ZINC001236784345 966533011 /nfs/dbraw/zinc/53/30/11/966533011.db2.gz UZYYDFOBGKRABB-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN CC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487792 966664102 /nfs/dbraw/zinc/66/41/02/966664102.db2.gz NGXHTBFLYZLKSW-CYBMUJFWSA-N 0 3 247.338 2.502 20 10 BFCDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487792 966664113 /nfs/dbraw/zinc/66/41/13/966664113.db2.gz NGXHTBFLYZLKSW-CYBMUJFWSA-N 0 3 247.338 2.502 20 10 BFCDHN CC1CC([N@H+](C)Cc2ccccc2[O-])C1 ZINC001203549929 966671521 /nfs/dbraw/zinc/67/15/21/966671521.db2.gz DBXFUKBLWICEOX-UHFFFAOYSA-N 0 3 205.301 2.623 20 10 BFCDHN CC1CC([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001203549929 966671531 /nfs/dbraw/zinc/67/15/31/966671531.db2.gz DBXFUKBLWICEOX-UHFFFAOYSA-N 0 3 205.301 2.623 20 10 BFCDHN [O-]c1ccccc1C[N@H+](CC1CC1)C1CC1 ZINC001203560640 966693121 /nfs/dbraw/zinc/69/31/21/966693121.db2.gz DZFXQDPTQMDLRG-UHFFFAOYSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1ccccc1C[N@@H+](CC1CC1)C1CC1 ZINC001203560640 966693125 /nfs/dbraw/zinc/69/31/25/966693125.db2.gz DZFXQDPTQMDLRG-UHFFFAOYSA-N 0 3 217.312 2.767 20 10 BFCDHN COc1cccc(C[N@H+](CC2CC2)C2CC2)c1[O-] ZINC001203599904 966701047 /nfs/dbraw/zinc/70/10/47/966701047.db2.gz MZBANEILGCBPJG-UHFFFAOYSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc(C[N@@H+](CC2CC2)C2CC2)c1[O-] ZINC001203599904 966701064 /nfs/dbraw/zinc/70/10/64/966701064.db2.gz MZBANEILGCBPJG-UHFFFAOYSA-N 0 3 247.338 2.775 20 10 BFCDHN CC1(C)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204275292 966955260 /nfs/dbraw/zinc/95/52/60/966955260.db2.gz NUVZVZDQDKOQDZ-UHFFFAOYSA-N 0 3 235.327 2.720 20 10 BFCDHN CC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204277833 966956957 /nfs/dbraw/zinc/95/69/57/966956957.db2.gz BVZADDBBLQWOFP-GFCCVEGCSA-N 0 3 235.327 2.862 20 10 BFCDHN CC[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204277833 966956971 /nfs/dbraw/zinc/95/69/71/966956971.db2.gz BVZADDBBLQWOFP-GFCCVEGCSA-N 0 3 235.327 2.862 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001204279083 966957814 /nfs/dbraw/zinc/95/78/14/966957814.db2.gz PYJCQFDPJKUFMC-BXUZGUMPSA-N 0 3 247.338 2.862 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001204279083 966957819 /nfs/dbraw/zinc/95/78/19/966957819.db2.gz PYJCQFDPJKUFMC-BXUZGUMPSA-N 0 3 247.338 2.862 20 10 BFCDHN CCc1cc(Nc2ccccc2O)ccn1 ZINC001206208165 968140301 /nfs/dbraw/zinc/14/03/01/968140301.db2.gz UDEUFFDQIRPKNH-UHFFFAOYSA-N 0 3 214.268 2.515 20 10 BFCDHN C[C@H](Cc1ccno1)[NH2+][C@H](C)c1ccccc1[O-] ZINC001207159623 968664902 /nfs/dbraw/zinc/66/49/02/968664902.db2.gz JGQBBDWFGZCXQS-GHMZBOCLSA-N 0 3 246.310 2.662 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1C ZINC001209430009 969497238 /nfs/dbraw/zinc/49/72/38/969497238.db2.gz IUCRTDOZBVFWFQ-DGCLKSJQSA-N 0 3 219.328 2.870 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1C ZINC001209430009 969497243 /nfs/dbraw/zinc/49/72/43/969497243.db2.gz IUCRTDOZBVFWFQ-DGCLKSJQSA-N 0 3 219.328 2.870 20 10 BFCDHN CCc1cccc(CNCc2conc2C)c1O ZINC000691483673 970009956 /nfs/dbraw/zinc/00/99/56/970009956.db2.gz QGFLJWGUMCARGH-UHFFFAOYSA-N 0 3 246.310 2.541 20 10 BFCDHN C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150939 970453074 /nfs/dbraw/zinc/45/30/74/970453074.db2.gz PXDYXPPAPAXMON-YPMHNXCESA-N 0 3 231.339 2.939 20 10 BFCDHN C[C@@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150939 970453080 /nfs/dbraw/zinc/45/30/80/970453080.db2.gz PXDYXPPAPAXMON-YPMHNXCESA-N 0 3 231.339 2.939 20 10 BFCDHN CC[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235448 970608689 /nfs/dbraw/zinc/60/86/89/970608689.db2.gz MIENZFXUFYRZBM-ZIAGYGMSSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235448 970608695 /nfs/dbraw/zinc/60/86/95/970608695.db2.gz MIENZFXUFYRZBM-ZIAGYGMSSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1ccc(CNCc2cc(C)ccc2O)nc1 ZINC000400854335 970636290 /nfs/dbraw/zinc/63/62/90/970636290.db2.gz QRNAFSOSIAZCOE-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1cc(C)c(O)c(Nc2ccncc2C)c1 ZINC001174537911 976823547 /nfs/dbraw/zinc/82/35/47/976823547.db2.gz UYSFHHDEIOGTDC-UHFFFAOYSA-N 0 3 228.295 2.878 20 10 BFCDHN CC(C)(/C=C\Cl)NCc1ccc(N)cc1 ZINC001335288918 976927677 /nfs/dbraw/zinc/92/76/77/976927677.db2.gz KBJLFJSMKMSKFT-FPLPWBNLSA-N 0 3 224.735 2.890 20 10 BFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC=CC1 ZINC001231588544 977635433 /nfs/dbraw/zinc/63/54/33/977635433.db2.gz UFVVAHFWVMVRED-UHFFFAOYSA-N 0 3 225.291 2.917 20 10 BFCDHN Cc1cccc(CN2CCCC(=O)[C@@H](C)C2)c1O ZINC001231590975 977642151 /nfs/dbraw/zinc/64/21/51/977642151.db2.gz MQDMPOZCOBUODT-LBPRGKRZSA-N 0 3 247.338 2.502 20 10 BFCDHN CCc1ccc(CN2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001236782459 979729859 /nfs/dbraw/zinc/72/98/59/979729859.db2.gz BKZUTVXDMVAESX-MFKMUULPSA-N 0 3 237.318 2.887 20 10 BFCDHN CCO[C@@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236786347 979732433 /nfs/dbraw/zinc/73/24/33/979732433.db2.gz ALEUYDSOPFKJEV-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN CCO[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236786347 979732446 /nfs/dbraw/zinc/73/24/46/979732446.db2.gz ALEUYDSOPFKJEV-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN COc1cc(C)c(C[NH+]2CCCCC2)c([O-])c1 ZINC001236817623 979744844 /nfs/dbraw/zinc/74/48/44/979744844.db2.gz FLCCUAZRCUAQRD-UHFFFAOYSA-N 0 3 235.327 2.695 20 10 BFCDHN CCC[N@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001236818541 979745504 /nfs/dbraw/zinc/74/55/04/979745504.db2.gz NRNNDOKSSQZNTQ-UHFFFAOYSA-N 0 3 237.343 2.941 20 10 BFCDHN CCC[N@@H+](CC)Cc1c(C)cc(OC)cc1[O-] ZINC001236818541 979745516 /nfs/dbraw/zinc/74/55/16/979745516.db2.gz NRNNDOKSSQZNTQ-UHFFFAOYSA-N 0 3 237.343 2.941 20 10 BFCDHN CCOc1ccc(C[NH+]2CC3CC(C3)C2)c([O-])c1 ZINC001237046386 979806207 /nfs/dbraw/zinc/80/62/07/979806207.db2.gz MYEUEKOFFXEZIM-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237044772 979807670 /nfs/dbraw/zinc/80/76/70/979807670.db2.gz DGOWYNNSPSEHQT-CQSZACIVSA-N 0 3 249.354 2.736 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237044772 979807679 /nfs/dbraw/zinc/80/76/79/979807679.db2.gz DGOWYNNSPSEHQT-CQSZACIVSA-N 0 3 249.354 2.736 20 10 BFCDHN CC(C)c1ccc(C[NH+]2CC=CC2)c([O-])c1 ZINC001237045420 979808168 /nfs/dbraw/zinc/80/81/68/979808168.db2.gz KLNVLURCPRVTAL-UHFFFAOYSA-N 0 3 217.312 2.887 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C1CCOCC1 ZINC001237489859 979914733 /nfs/dbraw/zinc/91/47/33/979914733.db2.gz LROUXTDSNXCUPA-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C1CCOCC1 ZINC001237489859 979914740 /nfs/dbraw/zinc/91/47/40/979914740.db2.gz LROUXTDSNXCUPA-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cc(F)cc(C[N@H+](C)CC2CC2)c1[O-] ZINC001238059018 980133739 /nfs/dbraw/zinc/13/37/39/980133739.db2.gz XVPGUYNEQVZTHQ-UHFFFAOYSA-N 0 3 223.291 2.682 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+](C)CC2CC2)c1[O-] ZINC001238059018 980133745 /nfs/dbraw/zinc/13/37/45/980133745.db2.gz XVPGUYNEQVZTHQ-UHFFFAOYSA-N 0 3 223.291 2.682 20 10 BFCDHN CCCN1CCN(c2ccc(OC)cc2C)CC1 ZINC001201652471 983405139 /nfs/dbraw/zinc/40/51/39/983405139.db2.gz NOOAJQWRNGFNOQ-UHFFFAOYSA-N 0 3 248.370 2.536 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCS[C@H]2C)c([O-])c1 ZINC000877607275 983955538 /nfs/dbraw/zinc/95/55/38/983955538.db2.gz CLLQGWBGCSYIIZ-CMPLNLGQSA-N 0 3 237.368 2.684 20 10 BFCDHN CO[C@H](C)C[N@H+](Cc1ccccc1[O-])C(C)C ZINC000688097357 985552244 /nfs/dbraw/zinc/55/22/44/985552244.db2.gz XCNVAIXHDWTOPX-GFCCVEGCSA-N 0 3 237.343 2.638 20 10 BFCDHN CO[C@H](C)C[N@@H+](Cc1ccccc1[O-])C(C)C ZINC000688097357 985552268 /nfs/dbraw/zinc/55/22/68/985552268.db2.gz XCNVAIXHDWTOPX-GFCCVEGCSA-N 0 3 237.343 2.638 20 10 BFCDHN C[C@@H]([NH2+]CC12CC(C)(C1)OC2)c1ccccc1[O-] ZINC001460641603 985873228 /nfs/dbraw/zinc/87/32/28/985873228.db2.gz ZVQHQSBBRVSILJ-VCANKDNSSA-N 0 3 247.338 2.612 20 10 BFCDHN CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000379919129 986683162 /nfs/dbraw/zinc/68/31/62/986683162.db2.gz GBESBTWEGLGKSM-IONNQARKSA-N 0 3 209.264 2.689 20 10 BFCDHN COc1ccc(C[NH2+][C@H](C)[C@H]2CC2(C)C)c([O-])c1 ZINC000397659496 986997770 /nfs/dbraw/zinc/99/77/70/986997770.db2.gz DZUFBYHVWIULTR-ZWNOBZJWSA-N 0 3 249.354 2.925 20 10 BFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC3)ccc2O1 ZINC001249223788 989263576 /nfs/dbraw/zinc/26/35/76/989263576.db2.gz MNYUWPQUEISFTQ-UHFFFAOYSA-N 0 3 245.322 2.782 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001326338683 989505453 /nfs/dbraw/zinc/50/54/53/989505453.db2.gz JGXRTCKTNXQLMQ-PWSUYJOCSA-N 0 3 241.281 2.902 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]2C(C)C)c([O-])c1 ZINC001308639127 991077951 /nfs/dbraw/zinc/07/79/51/991077951.db2.gz NIPBVYAEGMOKJQ-AWEZNQCLSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@H]2C(C)C)c([O-])c1 ZINC001308639127 991077957 /nfs/dbraw/zinc/07/79/57/991077957.db2.gz NIPBVYAEGMOKJQ-AWEZNQCLSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[NH2+]CC2=CCCC2)c([O-])c1 ZINC001308870378 991189760 /nfs/dbraw/zinc/18/97/60/991189760.db2.gz ACPBPQTWOGTJBB-UHFFFAOYSA-N 0 3 247.338 2.909 20 10 BFCDHN COc1cc(C)c(C[NH2+]CC[C@H](C)F)c([O-])c1 ZINC001560849661 991620684 /nfs/dbraw/zinc/62/06/84/991620684.db2.gz ZLNBJMGLUVGVFF-JTQLQIEISA-N 0 3 241.306 2.547 20 10 BFCDHN CCOc1ccc(C[NH2+]C(C)(C)CF)c([O-])c1 ZINC001320635019 992288591 /nfs/dbraw/zinc/28/85/91/992288591.db2.gz FEJOELCRCOZORG-UHFFFAOYSA-N 0 3 241.306 2.629 20 10 BFCDHN CCC[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000293801348 398187630 /nfs/dbraw/zinc/18/76/30/398187630.db2.gz YGZYOXSRZWPSFR-NWDGAFQWSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@H](CNCc1ccc(OC)c(C)c1)OC ZINC000289955521 398194230 /nfs/dbraw/zinc/19/42/30/398194230.db2.gz XWJFALNYVRUYPY-CYBMUJFWSA-N 0 3 237.343 2.518 20 10 BFCDHN CSCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297972425 398225911 /nfs/dbraw/zinc/22/59/11/398225911.db2.gz ZXWCGNZFGWOMDZ-NSHDSACASA-N 0 3 237.368 2.722 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCOC2)cc1C ZINC000237761270 178197561 /nfs/dbraw/zinc/19/75/61/178197561.db2.gz JCMWSUJXDHTZOI-ZDUSSCGKSA-N 0 3 249.354 2.525 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C2(C)CCOCC2)cc1C ZINC000131103812 178197663 /nfs/dbraw/zinc/19/76/63/178197663.db2.gz IFZZHAUNYVLROC-UHFFFAOYSA-N 0 3 249.354 2.668 20 10 BFCDHN CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1[O-] ZINC000134228263 398242350 /nfs/dbraw/zinc/24/23/50/398242350.db2.gz PMAMWEHZEKBVBH-CMPLNLGQSA-N 0 3 235.327 2.537 20 10 BFCDHN CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccccc1[O-] ZINC000038011122 343365437 /nfs/dbraw/zinc/36/54/37/343365437.db2.gz KHFNZNHEVVBYDZ-CYBMUJFWSA-N 0 3 245.326 2.665 20 10 BFCDHN CCCCOCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000040506200 343405533 /nfs/dbraw/zinc/40/55/33/343405533.db2.gz XDWRECRNTLSRCM-LBPRGKRZSA-N 0 3 237.343 2.860 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403589939 343656866 /nfs/dbraw/zinc/65/68/66/343656866.db2.gz CVQXUBGMLVZRHD-BZPMIXESSA-N 0 3 231.339 2.918 20 10 BFCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000179931399 347003867 /nfs/dbraw/zinc/00/38/67/347003867.db2.gz RYKNYSPDOAOBHA-UHFFFAOYSA-N 0 3 209.264 2.516 20 10 BFCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000179931399 347003869 /nfs/dbraw/zinc/00/38/69/347003869.db2.gz RYKNYSPDOAOBHA-UHFFFAOYSA-N 0 3 209.264 2.516 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1[O-] ZINC000045116138 344560185 /nfs/dbraw/zinc/56/01/85/344560185.db2.gz AJBGOEKGELMKLZ-SKDRFNHKSA-N 0 3 205.301 2.841 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000230670250 178805156 /nfs/dbraw/zinc/80/51/56/178805156.db2.gz PNQPUFCIMHOLDW-RWMBFGLXSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000278381870 178805441 /nfs/dbraw/zinc/80/54/41/178805441.db2.gz CKIJEFQHAIQUKX-SGMGOOAPSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000274773889 178801739 /nfs/dbraw/zinc/80/17/39/178801739.db2.gz ILODLYXYUOFSOH-LLVKDONJSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000228044907 178802840 /nfs/dbraw/zinc/80/28/40/178802840.db2.gz ZPZKUAXDRVFORO-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C[C@H](C)OC ZINC000291065288 346257056 /nfs/dbraw/zinc/25/70/56/346257056.db2.gz KRNKYUBGOYRUTP-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C[C@H](C)OC ZINC000291065288 346257058 /nfs/dbraw/zinc/25/70/58/346257058.db2.gz KRNKYUBGOYRUTP-LBPRGKRZSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1cccc(C[N@@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000179681045 179069150 /nfs/dbraw/zinc/06/91/50/179069150.db2.gz YUXSTDHKEGMTQE-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000179681045 179069152 /nfs/dbraw/zinc/06/91/52/179069152.db2.gz YUXSTDHKEGMTQE-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[N@H+](C)CCC2CC2)c1[O-] ZINC000180766922 179064821 /nfs/dbraw/zinc/06/48/21/179064821.db2.gz COVRYLPQUGYSIT-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc(C[N@@H+](C)CCC2CC2)c1[O-] ZINC000180766922 179064823 /nfs/dbraw/zinc/06/48/23/179064823.db2.gz COVRYLPQUGYSIT-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc(C[NH2+]CC(C)(C)C)c1[O-] ZINC000162831313 179091164 /nfs/dbraw/zinc/09/11/64/179091164.db2.gz AALUEDCFFAOPEI-UHFFFAOYSA-N 0 3 207.317 2.836 20 10 BFCDHN Cc1cccnc1CN(C)Cc1ccccc1O ZINC000093193203 179370675 /nfs/dbraw/zinc/37/06/75/179370675.db2.gz OYYUZGUDJOQGMN-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN Cc1cccc(C[NH2+]CCCOC(C)C)c1[O-] ZINC000083365132 191007286 /nfs/dbraw/zinc/00/72/86/191007286.db2.gz JRUSKQRYOATYPI-UHFFFAOYSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1cccc(C[NH2+]CCCOCC2CC2)c1[O-] ZINC000124673984 188083988 /nfs/dbraw/zinc/08/39/88/188083988.db2.gz RPNAKEQBNCPLPW-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCCCCO)c([O-])c1 ZINC000192927540 188174113 /nfs/dbraw/zinc/17/41/13/188174113.db2.gz WRLHGXBREFBWSA-LBPRGKRZSA-N 0 3 237.343 2.514 20 10 BFCDHN CC(C)=CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000191614917 188436383 /nfs/dbraw/zinc/43/63/83/188436383.db2.gz HEEVXSQDSZSUIS-UHFFFAOYSA-N 0 3 209.264 2.587 20 10 BFCDHN CCC[N@H+](CC)Cc1cccc(OC)c1[O-] ZINC000168989288 169129675 /nfs/dbraw/zinc/12/96/75/169129675.db2.gz BGTDBUNXROIKLD-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCC[N@@H+](CC)Cc1cccc(OC)c1[O-] ZINC000168989288 169129676 /nfs/dbraw/zinc/12/96/76/169129676.db2.gz BGTDBUNXROIKLD-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC=CCC1 ZINC000226588080 183274441 /nfs/dbraw/zinc/27/44/41/183274441.db2.gz DDUPKXRVHWPEIZ-NSHDSACASA-N 0 3 235.302 2.977 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCSCC1 ZINC000226607701 183274919 /nfs/dbraw/zinc/27/49/19/183274919.db2.gz OYJAUZNSWBYNJP-UHFFFAOYSA-N 0 3 241.331 2.517 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1 ZINC000083358065 183275066 /nfs/dbraw/zinc/27/50/66/183275066.db2.gz SQUZHHNKXIPSGF-UHFFFAOYSA-N 0 3 231.270 2.821 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCSC1 ZINC000226614565 183275769 /nfs/dbraw/zinc/27/57/69/183275769.db2.gz FCVRPNUNNTWNHS-NSHDSACASA-N 0 3 241.331 2.517 20 10 BFCDHN CCC[N@H+](CCC(C)=O)Cc1ccccc1[O-] ZINC000157064677 169140360 /nfs/dbraw/zinc/14/03/60/169140360.db2.gz SRYITVQVXSWXPX-UHFFFAOYSA-N 0 3 235.327 2.583 20 10 BFCDHN CCC[N@@H+](CCC(C)=O)Cc1ccccc1[O-] ZINC000157064677 169140362 /nfs/dbraw/zinc/14/03/62/169140362.db2.gz SRYITVQVXSWXPX-UHFFFAOYSA-N 0 3 235.327 2.583 20 10 BFCDHN Oc1cccc2c1[C@@H](NCc1ccco1)CC2 ZINC000296031294 183297245 /nfs/dbraw/zinc/29/72/45/183297245.db2.gz QDHXAOUZOIELBY-LBPRGKRZSA-N 0 3 229.279 2.762 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284933204 183301164 /nfs/dbraw/zinc/30/11/64/183301164.db2.gz GZYFLHAMUHDYOD-ZFWWWQNUSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284933204 183301166 /nfs/dbraw/zinc/30/11/66/183301166.db2.gz GZYFLHAMUHDYOD-ZFWWWQNUSA-N 0 3 247.338 2.536 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565315 183302930 /nfs/dbraw/zinc/30/29/30/183302930.db2.gz QPTLZRMUBWIRQY-AWEZNQCLSA-N 0 3 239.318 2.822 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCSC1 ZINC000288513154 183303325 /nfs/dbraw/zinc/30/33/25/183303325.db2.gz TWPQFHOKMPFMEE-LLVKDONJSA-N 0 3 237.368 2.625 20 10 BFCDHN CCC[C@@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000162533049 169360077 /nfs/dbraw/zinc/36/00/77/169360077.db2.gz MFWYOCLCBJYIIW-LLVKDONJSA-N 0 3 207.317 2.918 20 10 BFCDHN CC[C@@H]([NH2+]C1CCOCC1)c1ccccc1[O-] ZINC000036319283 383897150 /nfs/dbraw/zinc/89/71/50/383897150.db2.gz NXGCRQNIAVVPAG-CYBMUJFWSA-N 0 3 235.327 2.612 20 10 BFCDHN c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000037362372 383970989 /nfs/dbraw/zinc/97/09/89/383970989.db2.gz HAIDIQRADXRKTE-UHFFFAOYSA-N 0 3 239.318 2.911 20 10 BFCDHN Cc1ccc(O)c(CNCc2ncccc2C)c1 ZINC000071409420 384164822 /nfs/dbraw/zinc/16/48/22/384164822.db2.gz SENURACDWGHRRE-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000294188187 384317530 /nfs/dbraw/zinc/31/75/30/384317530.db2.gz KUBQUMUYLBUOIN-BXUZGUMPSA-N 0 3 237.343 2.543 20 10 BFCDHN CCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000083346646 384298123 /nfs/dbraw/zinc/29/81/23/384298123.db2.gz GKJBVEINCHUQJM-UHFFFAOYSA-N 0 3 211.280 2.811 20 10 BFCDHN C[C@H]([NH2+]CC1CCC1)c1ccccc1[O-] ZINC000037180098 384487002 /nfs/dbraw/zinc/48/70/02/384487002.db2.gz JEBHERXHHLFNRP-JTQLQIEISA-N 0 3 205.301 2.843 20 10 BFCDHN C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccccc1[O-] ZINC000097929315 384578170 /nfs/dbraw/zinc/57/81/70/384578170.db2.gz QWMCXKRIILGVDI-GFCCVEGCSA-N 0 3 248.370 2.527 20 10 BFCDHN CC(C)COCCC[NH2+]Cc1ccccc1[O-] ZINC000020147207 384585614 /nfs/dbraw/zinc/58/56/14/384585614.db2.gz GEVPYCNFMSFCLW-UHFFFAOYSA-N 0 3 237.343 2.545 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)CCOC)c1ccccc1[O-] ZINC000081709207 384628795 /nfs/dbraw/zinc/62/87/95/384628795.db2.gz PBKRXNNMMPGQSP-AAEUAGOBSA-N 0 3 237.343 2.858 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000020206516 384600501 /nfs/dbraw/zinc/60/05/01/384600501.db2.gz MDLNQWOAZZOHPM-MJVIPROJSA-N 0 3 235.327 2.610 20 10 BFCDHN CC(F)(F)CCNCc1ccc2c(c1)CCO2 ZINC000294358725 384778290 /nfs/dbraw/zinc/77/82/90/384778290.db2.gz ZVOOLTWYLZWWKZ-UHFFFAOYSA-N 0 3 241.281 2.756 20 10 BFCDHN C[C@@H]([NH2+]C1CCC1)c1cc(F)ccc1[O-] ZINC000087111398 384738630 /nfs/dbraw/zinc/73/86/30/384738630.db2.gz SMSGEHMHOJGPST-MRVPVSSYSA-N 0 3 209.264 2.734 20 10 BFCDHN CS[C@@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000128145800 384929730 /nfs/dbraw/zinc/92/97/30/384929730.db2.gz PIGKTVJNQABEFN-JTQLQIEISA-N 0 3 225.357 2.542 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(F)ccc1[O-] ZINC000164601999 385020497 /nfs/dbraw/zinc/02/04/97/385020497.db2.gz DYFZRZAFLDRZCD-GUBZILKMSA-N 0 3 223.291 2.838 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1ccccc1[O-] ZINC000087013414 385064432 /nfs/dbraw/zinc/06/44/32/385064432.db2.gz SNIPETYAPCLPKF-OCCSQVGLSA-N 0 3 237.343 2.594 20 10 BFCDHN CS[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000164637704 385025874 /nfs/dbraw/zinc/02/58/74/385025874.db2.gz NOEMCLDRZGLXAE-RKDXNWHRSA-N 0 3 243.347 2.933 20 10 BFCDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000189116265 385127409 /nfs/dbraw/zinc/12/74/09/385127409.db2.gz WXCPZIQKDMMSDD-RYUDHWBXSA-N 0 3 237.343 2.522 20 10 BFCDHN CC[C@@H]([NH2+]C1CCC1)c1ccccc1[O-] ZINC000052207060 385244168 /nfs/dbraw/zinc/24/41/68/385244168.db2.gz AKNMIIGQZRXREQ-GFCCVEGCSA-N 0 3 205.301 2.985 20 10 BFCDHN CCC[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000168770296 385386018 /nfs/dbraw/zinc/38/60/18/385386018.db2.gz UBBVBJWRRSSREL-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC=CO1 ZINC000193757368 385411627 /nfs/dbraw/zinc/41/16/27/385411627.db2.gz XOGJZQNNXSOETQ-ZDUSSCGKSA-N 0 3 233.311 2.517 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC=CO1 ZINC000193757368 385411633 /nfs/dbraw/zinc/41/16/33/385411633.db2.gz XOGJZQNNXSOETQ-ZDUSSCGKSA-N 0 3 233.311 2.517 20 10 BFCDHN CC/C=C/C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000295123189 385449434 /nfs/dbraw/zinc/44/94/34/385449434.db2.gz WYCRQPKGEBPQAD-AATRIKPKSA-N 0 3 235.327 2.847 20 10 BFCDHN C[C@H]1SCC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC000179577109 385476069 /nfs/dbraw/zinc/47/60/69/385476069.db2.gz GLFGQHMLNMKVDH-WDEREUQCSA-N 0 3 237.368 2.718 20 10 BFCDHN C[C@H]1SCC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC000179577109 385476077 /nfs/dbraw/zinc/47/60/77/385476077.db2.gz GLFGQHMLNMKVDH-WDEREUQCSA-N 0 3 237.368 2.718 20 10 BFCDHN CSCCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000281150226 385639833 /nfs/dbraw/zinc/63/98/33/385639833.db2.gz FIPLAXVYGUTKSZ-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CSCCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000281150226 385639839 /nfs/dbraw/zinc/63/98/39/385639839.db2.gz FIPLAXVYGUTKSZ-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1[O-] ZINC000283420580 385657965 /nfs/dbraw/zinc/65/79/65/385657965.db2.gz RONQXHWFCVVJQQ-JOYOIKCWSA-N 0 3 237.368 2.937 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000252807863 385662903 /nfs/dbraw/zinc/66/29/03/385662903.db2.gz JHKYFRKAUOYUQW-AVGNSLFASA-N 0 3 249.354 2.776 20 10 BFCDHN COc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1C ZINC000229882102 385683710 /nfs/dbraw/zinc/68/37/10/385683710.db2.gz OXHASXXITMIFIV-NSHDSACASA-N 0 3 245.326 2.578 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1[O-] ZINC000253076986 385667211 /nfs/dbraw/zinc/66/72/11/385667211.db2.gz RSIOSWZDHMAXNL-DYEKYZERSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])[C@@H](C)C1 ZINC000282125065 385734415 /nfs/dbraw/zinc/73/44/15/385734415.db2.gz AZXNYRMLADQKNA-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])[C@@H](C)C1 ZINC000282125065 385734419 /nfs/dbraw/zinc/73/44/19/385734419.db2.gz AZXNYRMLADQKNA-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])[C@@H](C)C1 ZINC000282125081 385734681 /nfs/dbraw/zinc/73/46/81/385734681.db2.gz AZXNYRMLADQKNA-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])[C@@H](C)C1 ZINC000282125081 385734684 /nfs/dbraw/zinc/73/46/84/385734684.db2.gz AZXNYRMLADQKNA-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])[C@H](C)C1 ZINC000282226426 385743688 /nfs/dbraw/zinc/74/36/88/385743688.db2.gz IINGUZVBHYRTFZ-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])[C@H](C)C1 ZINC000282226426 385743692 /nfs/dbraw/zinc/74/36/92/385743692.db2.gz IINGUZVBHYRTFZ-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(F)ccc1[O-] ZINC000230669639 385746536 /nfs/dbraw/zinc/74/65/36/385746536.db2.gz DAQDWMNRSMJYBW-DTWKUNHWSA-N 0 3 249.289 2.666 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c([O-])c1 ZINC000230669598 385746777 /nfs/dbraw/zinc/74/67/77/385746777.db2.gz XFJUCWSECZTYJL-QWRGUYRKSA-N 0 3 245.326 2.836 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCOCC2)c1 ZINC000186234149 385749049 /nfs/dbraw/zinc/74/90/49/385749049.db2.gz XVDVWDVUTBBXMC-OLZOCXBDSA-N 0 3 249.354 2.920 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1[O-] ZINC000183558894 385771328 /nfs/dbraw/zinc/77/13/28/385771328.db2.gz MJZTUQOYKCBMGE-UPJWGTAASA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc(O)c(CN(C)Cc2ccncc2)c1 ZINC000183744082 385794272 /nfs/dbraw/zinc/79/42/72/385794272.db2.gz NIGUZYDPZICHKE-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CO[C@@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285112488 385898835 /nfs/dbraw/zinc/89/88/35/385898835.db2.gz KUDAAINVCUBQTH-RYUDHWBXSA-N 0 3 237.343 2.695 20 10 BFCDHN Cc1ccnc([C@H](C)NCc2ccccc2O)c1 ZINC000285969146 385982942 /nfs/dbraw/zinc/98/29/42/385982942.db2.gz GZXBZMZISORPLU-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccn(C)c2)c1 ZINC000273367725 385992200 /nfs/dbraw/zinc/99/22/00/385992200.db2.gz BVLXPFNGOHAWIY-GFCCVEGCSA-N 0 3 244.338 2.890 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2)c([O-])c1C ZINC000273374685 385994004 /nfs/dbraw/zinc/99/40/04/385994004.db2.gz GXQCUJYVUAFQAN-CHWSQXEVSA-N 0 3 249.354 2.696 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)c([O-])c1C ZINC000273612599 386017910 /nfs/dbraw/zinc/01/79/10/386017910.db2.gz WQCQVJUFIBWMDY-STQMWFEESA-N 0 3 249.354 2.839 20 10 BFCDHN CC[C@H](CSC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618605 386346949 /nfs/dbraw/zinc/34/69/49/386346949.db2.gz IZIDDZBUNKRPJD-LLVKDONJSA-N 0 3 243.347 2.763 20 10 BFCDHN C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000290643734 386461294 /nfs/dbraw/zinc/46/12/94/386461294.db2.gz YQLSDBNRPMCIAU-HNNXBMFYSA-N 0 3 249.354 2.519 20 10 BFCDHN C[C@@]1(CCCO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000290643734 386461299 /nfs/dbraw/zinc/46/12/99/386461299.db2.gz YQLSDBNRPMCIAU-HNNXBMFYSA-N 0 3 249.354 2.519 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000228044883 386534515 /nfs/dbraw/zinc/53/45/15/386534515.db2.gz ZPZKUAXDRVFORO-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC000228850924 386626368 /nfs/dbraw/zinc/62/63/68/386626368.db2.gz TWEULQCQIHMUIK-LEWSCRJBSA-N 0 3 249.354 2.511 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000279999688 386766219 /nfs/dbraw/zinc/76/62/19/386766219.db2.gz FVPRTGVIFLBGCV-OCCSQVGLSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCOC2)c([O-])c1 ZINC000293905750 386901400 /nfs/dbraw/zinc/90/14/00/386901400.db2.gz WQYKNICRBJETLE-QWHCGFSZSA-N 0 3 249.354 2.696 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000368222101 386952887 /nfs/dbraw/zinc/95/28/87/386952887.db2.gz KKNJQEQXYCYLHQ-CVMIBZJCSA-N 0 3 247.338 2.671 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000246925095 387132115 /nfs/dbraw/zinc/13/21/15/387132115.db2.gz NCMICUXDAWCOCH-SGMGOOAPSA-N 0 3 249.354 2.594 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000527783053 387709038 /nfs/dbraw/zinc/70/90/38/387709038.db2.gz ODSJNYYFYFDIGC-CABCVRRESA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000378349713 387779054 /nfs/dbraw/zinc/77/90/54/387779054.db2.gz PCYZGYHFVXYMPW-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000378349713 387779057 /nfs/dbraw/zinc/77/90/57/387779057.db2.gz PCYZGYHFVXYMPW-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000527930219 387795150 /nfs/dbraw/zinc/79/51/50/387795150.db2.gz QUBNXOKIBJFQPV-OLZOCXBDSA-N 0 3 249.354 2.860 20 10 BFCDHN CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168772308 387801469 /nfs/dbraw/zinc/80/14/69/387801469.db2.gz YQPXXLLCUBGGLL-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)CC)c1 ZINC000163753470 387949635 /nfs/dbraw/zinc/94/96/35/387949635.db2.gz KIQCLFKEFLDLEZ-JTQLQIEISA-N 0 3 223.316 2.679 20 10 BFCDHN CSC[C@@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000162656701 388252059 /nfs/dbraw/zinc/25/20/59/388252059.db2.gz SAHFHCDVBVSVBI-SNVBAGLBSA-N 0 3 225.357 2.542 20 10 BFCDHN CCC1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000165466105 388252167 /nfs/dbraw/zinc/25/21/67/388252167.db2.gz ATLCQXLSAQCNTA-UHFFFAOYSA-N 0 3 205.301 2.672 20 10 BFCDHN C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296367451 388422453 /nfs/dbraw/zinc/42/24/53/388422453.db2.gz JASLLTSUSXNEPN-CMPLNLGQSA-N 0 3 249.354 2.519 20 10 BFCDHN COC1(CC[NH2+]Cc2cccc(C)c2[O-])CCC1 ZINC000293731253 388739857 /nfs/dbraw/zinc/73/98/57/388739857.db2.gz UUSDFQBUXPVYGV-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCSC1)c1ccccc1[O-] ZINC000228797633 388775287 /nfs/dbraw/zinc/77/52/87/388775287.db2.gz HMVMFMINGAXJRP-UWVGGRQHSA-N 0 3 223.341 2.548 20 10 BFCDHN CC(C)OCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168889633 167243254 /nfs/dbraw/zinc/24/32/54/167243254.db2.gz SGLLWVDFAHASBA-JTQLQIEISA-N 0 3 241.306 2.607 20 10 BFCDHN CC1(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000280529223 168020055 /nfs/dbraw/zinc/02/00/55/168020055.db2.gz IFEDGWXLJDCSHC-UHFFFAOYSA-N 0 3 205.301 2.672 20 10 BFCDHN CC1([NH2+]Cc2ccccc2[O-])CCCC1 ZINC000042176398 168064499 /nfs/dbraw/zinc/06/44/99/168064499.db2.gz CHEZQOARXUNWNP-UHFFFAOYSA-N 0 3 205.301 2.815 20 10 BFCDHN CCOC1CC([N@H+](C)Cc2cccc(C)c2[O-])C1 ZINC000290432382 170327585 /nfs/dbraw/zinc/32/75/85/170327585.db2.gz LICNXUNZDJBKAQ-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOC1CC([N@@H+](C)Cc2cccc(C)c2[O-])C1 ZINC000290432382 170327586 /nfs/dbraw/zinc/32/75/86/170327586.db2.gz LICNXUNZDJBKAQ-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H](C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000054467263 170708263 /nfs/dbraw/zinc/70/82/63/170708263.db2.gz KUHLRRCOSFPCRP-SNVBAGLBSA-N 0 3 223.316 2.537 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H](C)OC)c1ccc(C)cc1[O-] ZINC000280082731 170900190 /nfs/dbraw/zinc/90/01/90/170900190.db2.gz LUXJHDUPMATSEA-WCQYABFASA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111310 171348080 /nfs/dbraw/zinc/34/80/80/171348080.db2.gz JNVNYKKOSFLZDR-DTWKUNHWSA-N 0 3 211.280 2.980 20 10 BFCDHN CC[C@H](CSC)[NH2+]Cc1ccccc1[O-] ZINC000162160257 171465635 /nfs/dbraw/zinc/46/56/35/171465635.db2.gz KIFVSNSKFNUTIZ-LLVKDONJSA-N 0 3 225.357 2.623 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)CCOC)c1ccccc1[O-] ZINC000081709219 171544040 /nfs/dbraw/zinc/54/40/40/171544040.db2.gz PBKRXNNMMPGQSP-YPMHNXCESA-N 0 3 237.343 2.858 20 10 BFCDHN COC1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC000271361273 174020856 /nfs/dbraw/zinc/02/08/56/174020856.db2.gz NKDLVAHPICUTCZ-UHFFFAOYSA-N 0 3 249.354 2.782 20 10 BFCDHN COC1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000271361273 174020857 /nfs/dbraw/zinc/02/08/57/174020857.db2.gz NKDLVAHPICUTCZ-UHFFFAOYSA-N 0 3 249.354 2.782 20 10 BFCDHN COCC(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000293659039 174075383 /nfs/dbraw/zinc/07/53/83/174075383.db2.gz LTPLFBFHPWUEDW-NSHDSACASA-N 0 3 237.343 2.715 20 10 BFCDHN COc1ccc(CNCc2ccncc2)cc1C ZINC000035052415 175108014 /nfs/dbraw/zinc/10/80/14/175108014.db2.gz HMOFJSGUIBKLMI-UHFFFAOYSA-N 0 3 242.322 2.688 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C2(C(C)C)CC2)c1 ZINC000293534087 175157592 /nfs/dbraw/zinc/15/75/92/175157592.db2.gz CEKXGGVUZJPGSI-UHFFFAOYSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC2(C)C)c1 ZINC000045115688 175160087 /nfs/dbraw/zinc/16/00/87/175160087.db2.gz JIHNBVHNFVQAIZ-ZANVPECISA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc(C[N@@H+]2CCCC3(CC3)C2)c1[O-] ZINC000186615407 175256555 /nfs/dbraw/zinc/25/65/55/175256555.db2.gz KEKOUKOCUFXYGH-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1cccc(C[N@H+]2CCCC3(CC3)C2)c1[O-] ZINC000186615407 175256557 /nfs/dbraw/zinc/25/65/57/175256557.db2.gz KEKOUKOCUFXYGH-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1cccc(C[N@@H+]2CCC3(CCC3)C2)c1[O-] ZINC000093455938 175257245 /nfs/dbraw/zinc/25/72/45/175257245.db2.gz BEMNZERYCDHNGJ-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1cccc(C[N@H+]2CCC3(CCC3)C2)c1[O-] ZINC000093455938 175257246 /nfs/dbraw/zinc/25/72/46/175257246.db2.gz BEMNZERYCDHNGJ-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000131821573 175259629 /nfs/dbraw/zinc/25/96/29/175259629.db2.gz BDQMEJWSTPYHBJ-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000131821573 175259630 /nfs/dbraw/zinc/25/96/30/175259630.db2.gz BDQMEJWSTPYHBJ-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1[O-] ZINC000071205661 175266859 /nfs/dbraw/zinc/26/68/59/175266859.db2.gz HIRQSWJXWYGZPS-CMPLNLGQSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1[O-] ZINC000071205659 175267887 /nfs/dbraw/zinc/26/78/87/175267887.db2.gz HIRQSWJXWYGZPS-JQWIXIFHSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000180254524 176174124 /nfs/dbraw/zinc/17/41/24/176174124.db2.gz WWCPRRXEHZUZKA-NXEZZACHSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000180254524 176174126 /nfs/dbraw/zinc/17/41/26/176174126.db2.gz WWCPRRXEHZUZKA-NXEZZACHSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272827760 176369993 /nfs/dbraw/zinc/36/99/93/176369993.db2.gz HBQISUXOPIGBMH-UPJWGTAASA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000293183011 177263106 /nfs/dbraw/zinc/26/31/06/177263106.db2.gz WUDQPOIASPNRTH-RYUDHWBXSA-N 0 3 218.344 2.593 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000529670077 324375590 /nfs/dbraw/zinc/37/55/90/324375590.db2.gz QQAWESKVAHOFSH-UHXUPSOCSA-N 0 3 249.354 2.602 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2CC(CC3CC3)C2)c1 ZINC000857065939 588885241 /nfs/dbraw/zinc/88/52/41/588885241.db2.gz CFECMESWYHKJLS-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc(O)c(CN2CC(CC3CC3)C2)c1 ZINC000857065939 588885242 /nfs/dbraw/zinc/88/52/42/588885242.db2.gz CFECMESWYHKJLS-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CC2CCC2)c1[O-] ZINC000894207181 583350662 /nfs/dbraw/zinc/35/06/62/583350662.db2.gz RZKCYVQGDQRAKR-UHFFFAOYSA-N 0 3 235.327 2.599 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@H]2CC=CCC2)c1[O-] ZINC000894285197 583410699 /nfs/dbraw/zinc/41/06/99/583410699.db2.gz RNGQJZCKTVBPDV-CYBMUJFWSA-N 0 3 247.338 2.908 20 10 BFCDHN COc1cc(C)cc(CN2[C@@H](C)C[C@@H]2C)c1O ZINC000894600152 583490340 /nfs/dbraw/zinc/49/03/40/583490340.db2.gz FMCQTAVEHKERRR-QWRGUYRKSA-N 0 3 235.327 2.692 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C[C@H]2C=CCC2)c1[O-] ZINC000895526072 583684619 /nfs/dbraw/zinc/68/46/19/583684619.db2.gz GWINPLLUQLAQJT-LBPRGKRZSA-N 0 3 247.338 2.765 20 10 BFCDHN C=C/C=C\CC[NH2+]Cc1c(C)cccc1[O-] ZINC000895542446 583688509 /nfs/dbraw/zinc/68/85/09/583688509.db2.gz ZEGMFDHDLNODRH-PLNGDYQASA-N 0 3 217.312 2.923 20 10 BFCDHN C=C/C=C/CC[NH2+]Cc1c(C)cccc1[O-] ZINC000895542447 583688795 /nfs/dbraw/zinc/68/87/95/583688795.db2.gz ZEGMFDHDLNODRH-SNAWJCMRSA-N 0 3 217.312 2.923 20 10 BFCDHN CC[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858087085 588931356 /nfs/dbraw/zinc/93/13/56/588931356.db2.gz SQKJNTHIDDXPIT-SECBINFHSA-N 0 3 242.313 2.919 20 10 BFCDHN CCO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000897067677 583877265 /nfs/dbraw/zinc/87/72/65/583877265.db2.gz CHIRBCFVUJCHJG-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN CCO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000897067677 583877268 /nfs/dbraw/zinc/87/72/68/583877268.db2.gz CHIRBCFVUJCHJG-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN C/C=C/CNCc1ccc(N(C)C)c(F)c1 ZINC000858291168 588942368 /nfs/dbraw/zinc/94/23/68/588942368.db2.gz PJETVPKRNWIAEA-SNAWJCMRSA-N 0 3 222.307 2.557 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1[O-] ZINC000897952706 584063259 /nfs/dbraw/zinc/06/32/59/584063259.db2.gz JGECSEJYSAMJEO-WCFLWFBJSA-N 0 3 247.338 2.679 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897953834 584064120 /nfs/dbraw/zinc/06/41/20/584064120.db2.gz UBWFGWBBGZSPBR-KGYLQXTDSA-N 0 3 217.312 2.670 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1[O-] ZINC000897955338 584065314 /nfs/dbraw/zinc/06/53/14/584065314.db2.gz SLAYDKJVISNEQZ-IACUBPJLSA-N 0 3 231.339 2.979 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898111755 584083807 /nfs/dbraw/zinc/08/38/07/584083807.db2.gz GVIRDLYOJXDVDY-CQSZACIVSA-N 0 3 247.338 2.584 20 10 BFCDHN CCOc1ccc(O)c(CNC/C=C/Cl)c1 ZINC000898435651 584135715 /nfs/dbraw/zinc/13/57/15/584135715.db2.gz KZWOJHKKBPMEMY-ZZXKWVIFSA-N 0 3 241.718 2.633 20 10 BFCDHN COc1ccc(CNC/C=C\Cl)cc1C ZINC000898435594 584136100 /nfs/dbraw/zinc/13/61/00/584136100.db2.gz JQFMLYDQAWMROB-UTCJRWHESA-N 0 3 225.719 2.846 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C/C=C/Cl)c1 ZINC000898436024 584136309 /nfs/dbraw/zinc/13/63/09/584136309.db2.gz PNUFGADCXITDFW-GORDUTHDSA-N 0 3 211.692 2.543 20 10 BFCDHN Cc1ccc(O)c(CNC/C=C/Cl)c1 ZINC000898436024 584136311 /nfs/dbraw/zinc/13/63/11/584136311.db2.gz PNUFGADCXITDFW-GORDUTHDSA-N 0 3 211.692 2.543 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C2CC(CCO)C2)c([O-])c1 ZINC000903328678 584753442 /nfs/dbraw/zinc/75/34/42/584753442.db2.gz CYLJNBXSPCUKDQ-HIFPTAJRSA-N 0 3 249.354 2.512 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000903393302 584756531 /nfs/dbraw/zinc/75/65/31/584756531.db2.gz KHZYUHHJJJJZQQ-FPMFFAJLSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c([O-])c1C ZINC000903396921 584757621 /nfs/dbraw/zinc/75/76/21/584757621.db2.gz URDDSJMCKZRYKL-SCDSUCTJSA-N 0 3 249.354 2.695 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000840763417 584953301 /nfs/dbraw/zinc/95/33/01/584953301.db2.gz GTMSGGOYZGULPL-UTUOFQBUSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]CCc2ccco2)cc1C ZINC000742366204 585125242 /nfs/dbraw/zinc/12/52/42/585125242.db2.gz ONZHYVHMHIEAJI-UHFFFAOYSA-N 0 3 245.322 2.934 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]CCOC2CCC2)cc1C ZINC000742387010 585125601 /nfs/dbraw/zinc/12/56/01/585125601.db2.gz OFWLYTKBMOVJOS-UHFFFAOYSA-N 0 3 249.354 2.668 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CC2(C)CC2)c1 ZINC000748098663 585187128 /nfs/dbraw/zinc/18/71/28/585187128.db2.gz KYTPMMLQMPEBDE-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN C[N@H+](CCC(=O)C(C)(C)C)Cc1ccccc1[O-] ZINC000753748757 585268315 /nfs/dbraw/zinc/26/83/15/585268315.db2.gz SSLMJQNBYQAVRT-UHFFFAOYSA-N 0 3 249.354 2.829 20 10 BFCDHN C[N@@H+](CCC(=O)C(C)(C)C)Cc1ccccc1[O-] ZINC000753748757 585268316 /nfs/dbraw/zinc/26/83/16/585268316.db2.gz SSLMJQNBYQAVRT-UHFFFAOYSA-N 0 3 249.354 2.829 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CC2)c([O-])c1 ZINC000756768752 585322814 /nfs/dbraw/zinc/32/28/14/585322814.db2.gz GRDQAMRRTOOTHN-WCQYABFASA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]CCOC(C)C)cc1C ZINC000757977292 585347853 /nfs/dbraw/zinc/34/78/53/585347853.db2.gz USMCPETUJRRAOW-UHFFFAOYSA-N 0 3 237.343 2.524 20 10 BFCDHN C[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1[O-] ZINC000765809395 585492851 /nfs/dbraw/zinc/49/28/51/585492851.db2.gz NGEQFNSVEUGHSV-GFCCVEGCSA-N 0 3 249.354 2.860 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000768138492 585532949 /nfs/dbraw/zinc/53/29/49/585532949.db2.gz XMONGHMVSRQOSG-VXGBXAGGSA-N 0 3 249.354 2.879 20 10 BFCDHN CCOc1ccc(C[NH+]2C3CCC2CC3)c([O-])c1 ZINC000768227799 585534061 /nfs/dbraw/zinc/53/40/61/585534061.db2.gz JPXGRDWZQPNCST-UHFFFAOYSA-N 0 3 247.338 2.918 20 10 BFCDHN CC[N@@H+](Cc1c([O-])cccc1OC)CC(C)C ZINC000768336348 585535888 /nfs/dbraw/zinc/53/58/88/585535888.db2.gz SASHITMYRJNUAR-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[N@H+](Cc1c([O-])cccc1OC)CC(C)C ZINC000768336348 585535889 /nfs/dbraw/zinc/53/58/89/585535889.db2.gz SASHITMYRJNUAR-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c([O-])cc1C ZINC000768445814 585538883 /nfs/dbraw/zinc/53/88/83/585538883.db2.gz JNVGSEYUNPQQOI-ZYHUDNBSSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C[N@H+]2C[C@H](C)C[C@H]2C)c([O-])cc1C ZINC000768445814 585538884 /nfs/dbraw/zinc/53/88/84/585538884.db2.gz JNVGSEYUNPQQOI-ZYHUDNBSSA-N 0 3 249.354 2.940 20 10 BFCDHN CCOc1ccc(C[N@H+](C)CC2CC2)c([O-])c1 ZINC000768915487 585545845 /nfs/dbraw/zinc/54/58/45/585545845.db2.gz NYCHHHPWAZMVTQ-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc(C[N@@H+](C)CC2CC2)c([O-])c1 ZINC000768915487 585545846 /nfs/dbraw/zinc/54/58/46/585545846.db2.gz NYCHHHPWAZMVTQ-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000769450140 585557308 /nfs/dbraw/zinc/55/73/08/585557308.db2.gz AOOGEBISIBNTBE-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000769450140 585557309 /nfs/dbraw/zinc/55/73/09/585557309.db2.gz AOOGEBISIBNTBE-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN C[C@@H]1C[NH+](Cc2ccccc2[O-])C[C@@H](C)S1 ZINC000770510881 585575073 /nfs/dbraw/zinc/57/50/73/585575073.db2.gz UHFBMOLGXXEBLF-GHMZBOCLSA-N 0 3 237.368 2.718 20 10 BFCDHN CC[N@H+](Cc1cc(OC)ccc1[O-])C1CCC1 ZINC000775711731 585683416 /nfs/dbraw/zinc/68/34/16/585683416.db2.gz HTMWLVYDNIZKID-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])C1CCC1 ZINC000775711731 585683417 /nfs/dbraw/zinc/68/34/17/585683417.db2.gz HTMWLVYDNIZKID-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN [O-]c1cc2c(cc1C[N@H+]1CC=CCC1)CCC2 ZINC000778576843 585737544 /nfs/dbraw/zinc/73/75/44/585737544.db2.gz LTAUGDGCEUQJJG-UHFFFAOYSA-N 0 3 229.323 2.643 20 10 BFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC=CCC1)CCC2 ZINC000778576843 585737545 /nfs/dbraw/zinc/73/75/45/585737545.db2.gz LTAUGDGCEUQJJG-UHFFFAOYSA-N 0 3 229.323 2.643 20 10 BFCDHN Cc1cccc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC000779149049 585745430 /nfs/dbraw/zinc/74/54/30/585745430.db2.gz KEKORHHRUQCVIA-ZWNOBZJWSA-N 0 3 237.318 2.881 20 10 BFCDHN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783525366 585835975 /nfs/dbraw/zinc/83/59/75/585835975.db2.gz ILROXVHZJSGEET-LALPHHSUSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1cccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783737065 585841414 /nfs/dbraw/zinc/84/14/14/585841414.db2.gz JAUGBVAEWFRYOR-YNEHKIRRSA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000783736819 585841665 /nfs/dbraw/zinc/84/16/65/585841665.db2.gz FSOUPNWRFFTMJU-AVGNSLFASA-N 0 3 249.354 2.698 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1C ZINC000784641623 585865011 /nfs/dbraw/zinc/86/50/11/585865011.db2.gz YWGNKWRMIOSCQD-WFASDCNBSA-N 0 3 249.354 2.666 20 10 BFCDHN CCn1ccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000789497960 585943672 /nfs/dbraw/zinc/94/36/72/585943672.db2.gz OKVKMAPIJICMRL-UHFFFAOYSA-N 0 3 244.338 2.846 20 10 BFCDHN CCn1ccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000789497960 585943673 /nfs/dbraw/zinc/94/36/73/585943673.db2.gz OKVKMAPIJICMRL-UHFFFAOYSA-N 0 3 244.338 2.846 20 10 BFCDHN C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(F)ccc1[O-] ZINC000793220283 586014354 /nfs/dbraw/zinc/01/43/54/586014354.db2.gz MTGBVHGGGISOEA-RKDXNWHRSA-N 0 3 209.264 2.514 20 10 BFCDHN CCOc1ccc([O-])c(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000793220057 586014449 /nfs/dbraw/zinc/01/44/49/586014449.db2.gz JMGPVUDSTDRPAP-QWRGUYRKSA-N 0 3 235.327 2.774 20 10 BFCDHN Cc1cc([O-])c(C[NH+]2[C@H](C)C[C@H]2C)cc1C ZINC000793229301 586014701 /nfs/dbraw/zinc/01/47/01/586014701.db2.gz VVYBQUCRXKRXCF-VXGBXAGGSA-N 0 3 219.328 2.992 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000793346726 586017381 /nfs/dbraw/zinc/01/73/81/586017381.db2.gz JNLAGKOWBJOAHH-NEPJUHHUSA-N 0 3 249.354 2.927 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794819883 586049255 /nfs/dbraw/zinc/04/92/55/586049255.db2.gz YEVYGFFBSVYFBE-DGCLKSJQSA-N 0 3 235.327 2.530 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000796526618 586106227 /nfs/dbraw/zinc/10/62/27/586106227.db2.gz ORSGJORHUIZWTP-GWCFXTLKSA-N 0 3 235.327 2.679 20 10 BFCDHN CC1=C[C@@H](C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000797604513 586129428 /nfs/dbraw/zinc/12/94/28/586129428.db2.gz HBBFMOUTDSXSAS-SNVBAGLBSA-N 0 3 235.302 2.929 20 10 BFCDHN CC1=C[C@@H](C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000797604513 586129429 /nfs/dbraw/zinc/12/94/29/586129429.db2.gz HBBFMOUTDSXSAS-SNVBAGLBSA-N 0 3 235.302 2.929 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000798090032 586136735 /nfs/dbraw/zinc/13/67/35/586136735.db2.gz AHRDTOHLXQFIQJ-KBPBESRZSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC1(C)C ZINC000808422077 586472426 /nfs/dbraw/zinc/47/24/26/586472426.db2.gz WFESRCTYJLBILR-CYBMUJFWSA-N 0 3 235.327 2.679 20 10 BFCDHN CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000809740164 586516026 /nfs/dbraw/zinc/51/60/26/586516026.db2.gz NHUORWMFACMQDJ-ZYHUDNBSSA-N 0 3 235.327 2.679 20 10 BFCDHN Cc1cc(CN2CC=CCC2)ccc1N(C)C ZINC000815085594 586665979 /nfs/dbraw/zinc/66/59/79/586665979.db2.gz AYQIWAKWWFLWOL-UHFFFAOYSA-N 0 3 230.355 2.823 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1C ZINC000816647583 586750825 /nfs/dbraw/zinc/75/08/25/586750825.db2.gz VGXBTDRJADXIDR-NEPJUHHUSA-N 0 3 219.328 2.849 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1C ZINC000816647583 586750827 /nfs/dbraw/zinc/75/08/27/586750827.db2.gz VGXBTDRJADXIDR-NEPJUHHUSA-N 0 3 219.328 2.849 20 10 BFCDHN Cc1cccc(C[N@H+]2C[C@H](C)[C@H]2C)c1[O-] ZINC000816649628 586752365 /nfs/dbraw/zinc/75/23/65/586752365.db2.gz FMVLIPWAODQNNQ-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1[O-] ZINC000816649628 586752367 /nfs/dbraw/zinc/75/23/67/586752367.db2.gz FMVLIPWAODQNNQ-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1cc(C[NH2+]Cc2ccccc2[O-])cc(C)n1 ZINC000817410014 586800842 /nfs/dbraw/zinc/80/08/42/586800842.db2.gz HWYOQWSSZCEWMD-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CCCC[C@H](CN)[NH2+][C@H](C)c1ccccc1[O-] ZINC000817963237 586853245 /nfs/dbraw/zinc/85/32/45/586853245.db2.gz PYCVBDJZGPRLGD-VXGBXAGGSA-N 0 3 236.359 2.560 20 10 BFCDHN CCCC[C@@H](CN)[NH2+][C@H](C)c1ccccc1[O-] ZINC000817963234 586853450 /nfs/dbraw/zinc/85/34/50/586853450.db2.gz PYCVBDJZGPRLGD-NEPJUHHUSA-N 0 3 236.359 2.560 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818231067 586880608 /nfs/dbraw/zinc/88/06/08/586880608.db2.gz UFNBOFLVVGVROT-WCQYABFASA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cccc(CN2CC(CC(F)F)C2)c1O ZINC000822520476 587172735 /nfs/dbraw/zinc/17/27/35/587172735.db2.gz DAAXKDMFKKDOHQ-UHFFFAOYSA-N 0 3 241.281 2.788 20 10 BFCDHN Cc1cccc(C[NH+]2CC(CC(F)F)C2)c1[O-] ZINC000822520476 587172736 /nfs/dbraw/zinc/17/27/36/587172736.db2.gz DAAXKDMFKKDOHQ-UHFFFAOYSA-N 0 3 241.281 2.788 20 10 BFCDHN CC/C=C\CNCc1ccc(N(C)C)c(F)c1 ZINC000824702092 587283642 /nfs/dbraw/zinc/28/36/42/587283642.db2.gz INQTWXSKOXRAQD-WAYWQWQTSA-N 0 3 236.334 2.948 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000824814427 587288586 /nfs/dbraw/zinc/28/85/86/587288586.db2.gz ABJVBDOPMLMWCB-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000824814427 587288587 /nfs/dbraw/zinc/28/85/87/587288587.db2.gz ABJVBDOPMLMWCB-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000834729793 587764843 /nfs/dbraw/zinc/76/48/43/587764843.db2.gz KRTNHGOXESRXLK-GFCCVEGCSA-N 0 3 229.323 2.912 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000834900191 587769899 /nfs/dbraw/zinc/76/98/99/587769899.db2.gz NCMICUXDAWCOCH-MBNYWOFBSA-N 0 3 249.354 2.594 20 10 BFCDHN CC1CN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054971 587779574 /nfs/dbraw/zinc/77/95/74/587779574.db2.gz TWLOWOLBNQFZTA-SNAWJCMRSA-N 0 3 230.355 2.718 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1C ZINC000835088308 587781912 /nfs/dbraw/zinc/78/19/12/587781912.db2.gz RHLHQTYJLMRECL-TZMCWYRMSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000840759058 587920585 /nfs/dbraw/zinc/92/05/85/587920585.db2.gz SZWGUQPTBKHXFF-JHJVBQTASA-N 0 3 249.354 2.573 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@H]2CC2(F)F)c1 ZINC000840968714 587932676 /nfs/dbraw/zinc/93/26/76/587932676.db2.gz UGRXOQOLDYARSY-MWLCHTKSSA-N 0 3 241.281 2.834 20 10 BFCDHN COCC1(CC[NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000842729672 588056941 /nfs/dbraw/zinc/05/69/41/588056941.db2.gz SBSPOHNYXDXQFW-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC2(CCC2)O1 ZINC000843435833 588109568 /nfs/dbraw/zinc/10/95/68/588109568.db2.gz UKOWULQAAOYWLO-LBPRGKRZSA-N 0 3 247.338 2.536 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC2(CCC2)O1 ZINC000843435833 588109569 /nfs/dbraw/zinc/10/95/69/588109569.db2.gz UKOWULQAAOYWLO-LBPRGKRZSA-N 0 3 247.338 2.536 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cc[nH]c2)c1 ZINC000845972440 588252343 /nfs/dbraw/zinc/25/23/43/588252343.db2.gz OSRHLZBISJTMJH-SNVBAGLBSA-N 0 3 246.310 2.580 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC12CCCC2 ZINC000846000501 588253160 /nfs/dbraw/zinc/25/31/60/588253160.db2.gz SDFCBNIJBRHABO-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC12CCCC2 ZINC000846000501 588253161 /nfs/dbraw/zinc/25/31/61/588253161.db2.gz SDFCBNIJBRHABO-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)COCC2CC2)c1 ZINC000846073888 588255700 /nfs/dbraw/zinc/25/57/00/588255700.db2.gz SLOTYKWBBWVCOR-GFCCVEGCSA-N 0 3 249.354 2.605 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C1CC2(CCC2)C1 ZINC000846106248 588256716 /nfs/dbraw/zinc/25/67/16/588256716.db2.gz CWLDOEFIPMABOB-UHFFFAOYSA-N 0 3 247.338 2.823 20 10 BFCDHN CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846137288 588258345 /nfs/dbraw/zinc/25/83/45/588258345.db2.gz MZCCJRIFGNVGCR-ZJUUUORDSA-N 0 3 223.316 2.850 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@H](C)C2CC2)c1[O-] ZINC000846136206 588258592 /nfs/dbraw/zinc/25/85/92/588258592.db2.gz HIABURXZZLOPRP-NXEZZACHSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C2CCC2)c1[O-] ZINC000846149412 588258819 /nfs/dbraw/zinc/25/88/19/588258819.db2.gz MUKATIKDCFOGDL-VIFPVBQESA-N 0 3 221.300 2.604 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]CCC2CC2)c1[O-] ZINC000846155391 588258885 /nfs/dbraw/zinc/25/88/85/588258885.db2.gz PZCMLLDBADSPAZ-SNVBAGLBSA-N 0 3 235.327 2.852 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@H]2CC2(C)C)c1[O-] ZINC000846168552 588259033 /nfs/dbraw/zinc/25/90/33/588259033.db2.gz KEKRLBUMTZZGIW-CABZTGNLSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000846175233 588259235 /nfs/dbraw/zinc/25/92/35/588259235.db2.gz YAUMHHCTHKDHTE-CABZTGNLSA-N 0 3 233.311 2.604 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]CCCCF)c1[O-] ZINC000846171716 588259271 /nfs/dbraw/zinc/25/92/71/588259271.db2.gz VVVMPOJWFKIVCL-JTQLQIEISA-N 0 3 241.306 2.801 20 10 BFCDHN CCc1cccc(CN2CCSCC2)c1O ZINC000848881267 588415488 /nfs/dbraw/zinc/41/54/88/588415488.db2.gz NUHCCPCGLLSDFR-UHFFFAOYSA-N 0 3 237.368 2.503 20 10 BFCDHN CCc1cccc(C[NH+]2CCSCC2)c1[O-] ZINC000848881267 588415489 /nfs/dbraw/zinc/41/54/89/588415489.db2.gz NUHCCPCGLLSDFR-UHFFFAOYSA-N 0 3 237.368 2.503 20 10 BFCDHN CCc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000848911619 588419214 /nfs/dbraw/zinc/41/92/14/588419214.db2.gz WKRCULFUCJEDOU-OKILXGFUSA-N 0 3 249.354 2.564 20 10 BFCDHN CCc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000848911619 588419216 /nfs/dbraw/zinc/41/92/16/588419216.db2.gz WKRCULFUCJEDOU-OKILXGFUSA-N 0 3 249.354 2.564 20 10 BFCDHN CCc1cccc(CN2CC3(CC(F)C3)C2)c1O ZINC000848917847 588420751 /nfs/dbraw/zinc/42/07/51/588420751.db2.gz YJZLTFFFLNGOMD-UHFFFAOYSA-N 0 3 249.329 2.889 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000850360013 588540456 /nfs/dbraw/zinc/54/04/56/588540456.db2.gz AUCJVPZVPYMSGN-HDJSIYSDSA-N 0 3 249.354 2.666 20 10 BFCDHN CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850393591 588543757 /nfs/dbraw/zinc/54/37/57/588543757.db2.gz UXSAHIHVYMXWAM-DABQJJPHSA-N 0 3 247.338 2.679 20 10 BFCDHN CC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000850530111 588557872 /nfs/dbraw/zinc/55/78/72/588557872.db2.gz VTDJLJCTLGNRRG-YPMHNXCESA-N 0 3 237.343 2.512 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851840524 588634419 /nfs/dbraw/zinc/63/44/19/588634419.db2.gz GWICUOGGRHWLJY-UBSAEIQESA-N 0 3 231.339 2.870 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851840524 588634420 /nfs/dbraw/zinc/63/44/20/588634420.db2.gz GWICUOGGRHWLJY-UBSAEIQESA-N 0 3 231.339 2.870 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)C2CCC2)c1 ZINC000119645087 589321406 /nfs/dbraw/zinc/32/14/06/589321406.db2.gz CGWUOFACBLMTET-LLVKDONJSA-N 0 3 219.328 2.979 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCC12CC2 ZINC000865656294 589454733 /nfs/dbraw/zinc/45/47/33/589454733.db2.gz NLTBURLIGKSZON-AWEZNQCLSA-N 0 3 247.338 2.823 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccccc2O)nc1 ZINC000121142435 589504066 /nfs/dbraw/zinc/50/40/66/589504066.db2.gz HVVUDKBTHIGEII-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CCOC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000124538812 590048812 /nfs/dbraw/zinc/04/88/12/590048812.db2.gz IBKWYUKTHTVVFC-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000020133961 590077708 /nfs/dbraw/zinc/07/77/08/590077708.db2.gz IEKWGKGEWSMJES-UHFFFAOYSA-N 0 3 227.307 2.990 20 10 BFCDHN Cc1ncsc1CNCc1cccc(C)c1O ZINC000124798732 590085654 /nfs/dbraw/zinc/08/56/54/590085654.db2.gz TVUSJPCRHZSWQJ-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC000876525824 590208275 /nfs/dbraw/zinc/20/82/75/590208275.db2.gz OKKBYQBHTLCBTF-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC000876525824 590208277 /nfs/dbraw/zinc/20/82/77/590208277.db2.gz OKKBYQBHTLCBTF-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000876525825 590208555 /nfs/dbraw/zinc/20/85/55/590208555.db2.gz OKKBYQBHTLCBTF-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000876525825 590208557 /nfs/dbraw/zinc/20/85/57/590208557.db2.gz OKKBYQBHTLCBTF-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C)C1 ZINC000876525018 590208633 /nfs/dbraw/zinc/20/86/33/590208633.db2.gz AOUXREXSWYJTRS-LLVKDONJSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C)C1 ZINC000876525018 590208635 /nfs/dbraw/zinc/20/86/35/590208635.db2.gz AOUXREXSWYJTRS-LLVKDONJSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C)cc1O ZINC000876535825 590211251 /nfs/dbraw/zinc/21/12/51/590211251.db2.gz QPRWKGNVHLDAHT-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC000876561723 590215037 /nfs/dbraw/zinc/21/50/37/590215037.db2.gz RKMQHKKCVYDJHQ-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC000876561723 590215039 /nfs/dbraw/zinc/21/50/39/590215039.db2.gz RKMQHKKCVYDJHQ-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN CO[C@@](C)(C[N@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000876616039 590222166 /nfs/dbraw/zinc/22/21/66/590222166.db2.gz PPCOKGWUAFZXKI-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN CO[C@@](C)(C[N@@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000876616039 590222167 /nfs/dbraw/zinc/22/21/67/590222167.db2.gz PPCOKGWUAFZXKI-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])CC1CC1 ZINC000876732463 590234249 /nfs/dbraw/zinc/23/42/49/590234249.db2.gz WXEFHLUWBXTHQF-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])CC1CC1 ZINC000876732463 590234250 /nfs/dbraw/zinc/23/42/50/590234250.db2.gz WXEFHLUWBXTHQF-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000876799183 590242900 /nfs/dbraw/zinc/24/29/00/590242900.db2.gz AOSHBVUUBWXDFZ-RYUDHWBXSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000876799183 590242902 /nfs/dbraw/zinc/24/29/02/590242902.db2.gz AOSHBVUUBWXDFZ-RYUDHWBXSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)C2CC2)c([O-])c1 ZINC000876896535 590255202 /nfs/dbraw/zinc/25/52/02/590255202.db2.gz GTAJOTSKWCFLIV-SNVBAGLBSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1CCC1 ZINC000876984470 590264655 /nfs/dbraw/zinc/26/46/55/590264655.db2.gz HLKBIHKQAMXJAF-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN COCCC1(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877095668 590281861 /nfs/dbraw/zinc/28/18/61/590281861.db2.gz SKQCPSPHPHHPPP-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000877126344 590290181 /nfs/dbraw/zinc/29/01/81/590290181.db2.gz IPTUIMIJHPYGMW-DABQJJPHSA-N 0 3 249.354 2.746 20 10 BFCDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877131886 590290494 /nfs/dbraw/zinc/29/04/94/590290494.db2.gz NKMXTLJNQVODQP-SWLSCSKDSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(CN2CC[C@H](C)[C@H](F)C2)c(O)c1 ZINC000877164659 590295109 /nfs/dbraw/zinc/29/51/09/590295109.db2.gz BZRHPDGVEDHARR-WCQYABFASA-N 0 3 237.318 2.881 20 10 BFCDHN CC(C)=CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877472480 590335191 /nfs/dbraw/zinc/33/51/91/590335191.db2.gz URYHETXBFAQCNR-UHFFFAOYSA-N 0 3 205.301 2.756 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCSC1 ZINC000877485945 590339155 /nfs/dbraw/zinc/33/91/55/590339155.db2.gz IDJXCUOQGYNKEA-NSHDSACASA-N 0 3 237.368 2.543 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CCC(F)(F)CC1 ZINC000877492054 590339680 /nfs/dbraw/zinc/33/96/80/590339680.db2.gz FLMMTKAJVUUKBE-UHFFFAOYSA-N 0 3 241.281 2.932 20 10 BFCDHN COCCC1([NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877491542 590340472 /nfs/dbraw/zinc/34/04/72/590340472.db2.gz MERTYJZUCGENHK-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877497834 590341289 /nfs/dbraw/zinc/34/12/89/590341289.db2.gz CYUJKWZGLYCRCN-ZFWWWQNUSA-N 0 3 249.354 2.748 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@@H](C)C1 ZINC000877498350 590341519 /nfs/dbraw/zinc/34/15/19/590341519.db2.gz BVNKNQNRSBPPQL-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H](C)C1 ZINC000877498350 590341521 /nfs/dbraw/zinc/34/15/21/590341521.db2.gz BVNKNQNRSBPPQL-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CCSCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877498210 590341616 /nfs/dbraw/zinc/34/16/16/590341616.db2.gz NUQNOPJUFATBLW-UHFFFAOYSA-N 0 3 239.384 2.933 20 10 BFCDHN CCOC1CC([N@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000877530276 590349368 /nfs/dbraw/zinc/34/93/68/590349368.db2.gz RRVJYFBPDBYTMM-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOC1CC([N@@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000877530276 590349371 /nfs/dbraw/zinc/34/93/71/590349371.db2.gz RRVJYFBPDBYTMM-UHFFFAOYSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccoc1CNCc1c(C)cccc1O ZINC000877547527 590354299 /nfs/dbraw/zinc/35/42/99/590354299.db2.gz ZLZJSGQOUBABBY-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN CC[C@@H]1CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877547623 590354748 /nfs/dbraw/zinc/35/47/48/590354748.db2.gz DASKEWPHJDTBIM-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@@H]1CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877547623 590354751 /nfs/dbraw/zinc/35/47/51/590354751.db2.gz DASKEWPHJDTBIM-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC(C)(F)F ZINC000877558179 590358404 /nfs/dbraw/zinc/35/84/04/590358404.db2.gz ZBIWYFXENXJQAU-UHFFFAOYSA-N 0 3 229.270 2.836 20 10 BFCDHN CS[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877564047 590360653 /nfs/dbraw/zinc/36/06/53/590360653.db2.gz WQZUNWVTCXVXEW-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877564047 590360654 /nfs/dbraw/zinc/36/06/54/590360654.db2.gz WQZUNWVTCXVXEW-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN CC/C=C\C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877563148 590360892 /nfs/dbraw/zinc/36/08/92/590360892.db2.gz GVWRQHPMEFRCQI-PLNGDYQASA-N 0 3 205.301 2.756 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c([O-])c1 ZINC000877630860 590377775 /nfs/dbraw/zinc/37/77/75/590377775.db2.gz OAEPWVOXOJMHST-TZMCWYRMSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc(C[NH2+][C@]2(C)CC2(C)C)c([O-])c1 ZINC000877637999 590381364 /nfs/dbraw/zinc/38/13/64/590381364.db2.gz QTOKRKOJBXOCBZ-CQSZACIVSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([O-])c1 ZINC000877656898 590386232 /nfs/dbraw/zinc/38/62/32/590386232.db2.gz SBOCBBMMJYQHSP-YXMPFFBPSA-N 0 3 249.354 2.602 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000877755415 590417126 /nfs/dbraw/zinc/41/71/26/590417126.db2.gz AJDHMSXOSJETMR-YNEHKIRRSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1[O-] ZINC000877755764 590417915 /nfs/dbraw/zinc/41/79/15/590417915.db2.gz MDLNQWOAZZOHPM-UHIISALHSA-N 0 3 235.327 2.610 20 10 BFCDHN CCCCN(CC(C)=O)Cc1ccccc1O ZINC000878564810 590592932 /nfs/dbraw/zinc/59/29/32/590592932.db2.gz BZSASZDNHAQWPF-UHFFFAOYSA-N 0 3 235.327 2.583 20 10 BFCDHN CCO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000879650112 590842544 /nfs/dbraw/zinc/84/25/44/590842544.db2.gz JEENJCDPBMKXCA-IAQYHMDHSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000128445988 591056505 /nfs/dbraw/zinc/05/65/05/591056505.db2.gz GICRDPIIMIRCEP-YPMHNXCESA-N 0 3 219.328 2.979 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370106 591633891 /nfs/dbraw/zinc/63/38/91/591633891.db2.gz GSQRFJVOIMUYJD-CABCVRRESA-N 0 3 247.338 2.584 20 10 BFCDHN CC[C@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313039494 634441751 /nfs/dbraw/zinc/44/17/51/634441751.db2.gz QGUUUPZAKDXQOT-JSGCOSHPSA-N 0 3 249.354 2.858 20 10 BFCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])OCC1CC1 ZINC000840961033 635454222 /nfs/dbraw/zinc/45/42/22/635454222.db2.gz ZSICXVWDQVOXRJ-UHFFFAOYSA-N 0 3 249.354 2.687 20 10 BFCDHN CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000309311530 632923291 /nfs/dbraw/zinc/92/32/91/632923291.db2.gz CBEJTXKULZVUKU-STQMWFEESA-N 0 3 219.328 2.916 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1[O-] ZINC000229574569 632978220 /nfs/dbraw/zinc/97/82/20/632978220.db2.gz SIUGVDLFHRZYID-GXTWGEPZSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(F)ccc1[O-] ZINC000309427466 633058436 /nfs/dbraw/zinc/05/84/36/633058436.db2.gz LDOLFFOAHQXFAB-VDDIYKPWSA-N 0 3 223.291 2.980 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c([O-])c1 ZINC000311116789 633069371 /nfs/dbraw/zinc/06/93/71/633069371.db2.gz SWUQNGIFHFTRLI-NHYWBVRUSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c([O-])c1 ZINC000311116786 633070510 /nfs/dbraw/zinc/07/05/10/633070510.db2.gz SWUQNGIFHFTRLI-ABAIWWIYSA-N 0 3 249.354 2.512 20 10 BFCDHN C[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1[O-] ZINC000167193848 633126217 /nfs/dbraw/zinc/12/62/17/633126217.db2.gz MQIUCSAZBIMKEJ-QMMMGPOBSA-N 0 3 233.233 2.823 20 10 BFCDHN CC[C@H]([NH2+]CC[C@H](C)OC)c1ccccc1[O-] ZINC000310583070 634164322 /nfs/dbraw/zinc/16/43/22/634164322.db2.gz SEIDQIWNNKXKNB-AAEUAGOBSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040672176 636935093 /nfs/dbraw/zinc/93/50/93/636935093.db2.gz SSLXAEKQZHTVJG-TZMCWYRMSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@@H]([NH2+]CCc1ccco1)c1ccccc1[O-] ZINC000035661726 639810941 /nfs/dbraw/zinc/81/09/41/639810941.db2.gz KWZYBAPLZXYNAP-LLVKDONJSA-N 0 3 231.295 2.879 20 10 BFCDHN Cc1cc(C)c(O)c(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000164514049 640489269 /nfs/dbraw/zinc/48/92/69/640489269.db2.gz AUSHWDOJRVJUBK-STQMWFEESA-N 0 3 249.354 2.618 20 10 BFCDHN [O-]c1ccccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000166241593 640623871 /nfs/dbraw/zinc/62/38/71/640623871.db2.gz FREIJNNOYBMCEL-UHFFFAOYSA-N 0 3 249.260 2.960 20 10 BFCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000226609391 640777983 /nfs/dbraw/zinc/77/79/83/640777983.db2.gz JJJJMKDXNORHEV-UHFFFAOYSA-N 0 3 223.291 2.810 20 10 BFCDHN Oc1ccccc1CN[C@H]1CCc2cccnc21 ZINC000226830860 640800545 /nfs/dbraw/zinc/80/05/45/640800545.db2.gz QVLILZIHURYXOT-ZDUSSCGKSA-N 0 3 240.306 2.564 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000226830860 640800548 /nfs/dbraw/zinc/80/05/48/640800548.db2.gz QVLILZIHURYXOT-ZDUSSCGKSA-N 0 3 240.306 2.564 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccccc1[O-] ZINC000228794136 640895185 /nfs/dbraw/zinc/89/51/85/640895185.db2.gz XPBNRJNVRGCAGW-YNEHKIRRSA-N 0 3 249.354 2.594 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1C=CCCC1 ZINC000171926532 641022471 /nfs/dbraw/zinc/02/24/71/641022471.db2.gz PGYNBLUJGCILSS-CYBMUJFWSA-N 0 3 217.312 2.933 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1C=CCCC1 ZINC000171926532 641022476 /nfs/dbraw/zinc/02/24/76/641022476.db2.gz PGYNBLUJGCILSS-CYBMUJFWSA-N 0 3 217.312 2.933 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)c([O-])c1 ZINC000230672535 641077768 /nfs/dbraw/zinc/07/77/68/641077768.db2.gz VUONKPAGCVNYDA-CHWSQXEVSA-N 0 3 249.354 2.778 20 10 BFCDHN C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000230657459 641081748 /nfs/dbraw/zinc/08/17/48/641081748.db2.gz YKBXOZBFZYFLFP-NWDGAFQWSA-N 0 3 219.328 2.918 20 10 BFCDHN Cc1ccc(C[NH+]2CCCCC2)c([O-])c1 ZINC000075606525 641765012 /nfs/dbraw/zinc/76/50/12/641765012.db2.gz LTAHZBGEVHCYKO-UHFFFAOYSA-N 0 3 205.301 2.687 20 10 BFCDHN Cc1cncc(CN(C)Cc2ccccc2O)c1 ZINC000189952075 641828198 /nfs/dbraw/zinc/82/81/98/641828198.db2.gz XZYZXLBQZIFHAL-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccccc1[O-] ZINC000191634171 641935108 /nfs/dbraw/zinc/93/51/08/641935108.db2.gz VRPYIVCUWVQGTP-GMXVVIOVSA-N 0 3 237.343 2.856 20 10 BFCDHN CCOC[C@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000044689243 643547485 /nfs/dbraw/zinc/54/74/85/643547485.db2.gz KJLZBUFWBPREDU-AAEUAGOBSA-N 0 3 237.343 2.858 20 10 BFCDHN COC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000186509463 643856022 /nfs/dbraw/zinc/85/60/22/643856022.db2.gz PKWGECMQLWHFIG-GFCCVEGCSA-N 0 3 249.354 2.920 20 10 BFCDHN CSC1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000193648443 644265688 /nfs/dbraw/zinc/26/56/88/644265688.db2.gz TUYNZEKQKJQMTF-UHFFFAOYSA-N 0 3 237.368 2.768 20 10 BFCDHN C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000246042903 644560049 /nfs/dbraw/zinc/56/00/49/644560049.db2.gz OBEMWBGRSHAQBM-IJLUTSLNSA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000246042914 644560269 /nfs/dbraw/zinc/56/02/69/644560269.db2.gz OBEMWBGRSHAQBM-YVECIDJPSA-N 0 3 249.354 2.999 20 10 BFCDHN Cc1cc(C)c(O)c(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000246714629 644602657 /nfs/dbraw/zinc/60/26/57/644602657.db2.gz NMBDLMBAEFYBME-CHWSQXEVSA-N 0 3 249.354 2.618 20 10 BFCDHN Cc1ccc(O)c(CN(C)Cc2cccn2C)c1 ZINC000093584776 644696179 /nfs/dbraw/zinc/69/61/79/644696179.db2.gz UMPBYSDQCNNMQX-UHFFFAOYSA-N 0 3 244.338 2.671 20 10 BFCDHN CCOCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616764 644721047 /nfs/dbraw/zinc/72/10/47/644721047.db2.gz DQQRJSPOWDMPAQ-SNVBAGLBSA-N 0 3 241.306 2.609 20 10 BFCDHN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783519489 644755920 /nfs/dbraw/zinc/75/59/20/644755920.db2.gz LRWKRPJDOHIFBZ-UPJWGTAASA-N 0 3 249.354 2.858 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304626267 644921575 /nfs/dbraw/zinc/92/15/75/644921575.db2.gz UVYFBPKDDPBIBR-CYZMBNFOSA-N 0 3 217.312 2.670 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1[O-] ZINC000253165032 644940059 /nfs/dbraw/zinc/94/00/59/644940059.db2.gz YQIFGXBNIOBOQJ-YRGRVCCFSA-N 0 3 249.354 2.736 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000877459376 645796610 /nfs/dbraw/zinc/79/66/10/645796610.db2.gz IYXWSTRCIFBQFW-GXFFZTMASA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000877459375 645796979 /nfs/dbraw/zinc/79/69/79/645796979.db2.gz IYXWSTRCIFBQFW-GWCFXTLKSA-N 0 3 219.328 2.979 20 10 BFCDHN C[N@H+](CCc1ccns1)Cc1ccccc1[O-] ZINC000929977540 646381188 /nfs/dbraw/zinc/38/11/88/646381188.db2.gz WAAVOSAUHZSYAF-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN C[N@@H+](CCc1ccns1)Cc1ccccc1[O-] ZINC000929977540 646381195 /nfs/dbraw/zinc/38/11/95/646381195.db2.gz WAAVOSAUHZSYAF-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN CC[C@@H](C)CC[NH2+]Cc1ccccc1[O-] ZINC000394399362 711686842 /nfs/dbraw/zinc/68/68/42/711686842.db2.gz GKYSFPGNKFOFGM-LLVKDONJSA-N 0 3 207.317 2.918 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704918491 712121460 /nfs/dbraw/zinc/12/14/60/712121460.db2.gz KJMNIFFVUNYNPC-LLVKDONJSA-N 0 3 237.368 2.625 20 10 BFCDHN CSC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381549295 710654888 /nfs/dbraw/zinc/65/48/88/710654888.db2.gz LXRARZFZBKUOIG-MWLCHTKSSA-N 0 3 237.368 2.721 20 10 BFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C(C)(C)C ZINC000381938657 710759990 /nfs/dbraw/zinc/75/99/90/710759990.db2.gz UVBMFSQRPSXQEW-UHFFFAOYSA-N 0 3 211.280 2.762 20 10 BFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C(C)(C)C ZINC000381938657 710759994 /nfs/dbraw/zinc/75/99/94/710759994.db2.gz UVBMFSQRPSXQEW-UHFFFAOYSA-N 0 3 211.280 2.762 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000384626186 710944975 /nfs/dbraw/zinc/94/49/75/710944975.db2.gz QRSQCKQTXWVJOY-ZJQBRPOHSA-N 0 3 249.354 2.917 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000385919230 711019967 /nfs/dbraw/zinc/01/99/67/711019967.db2.gz JBJPEZBXBPKXOG-OUJBWJOFSA-N 0 3 235.327 2.535 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1[O-] ZINC000388896559 711070716 /nfs/dbraw/zinc/07/07/16/711070716.db2.gz AJDHMSXOSJETMR-AVGNSLFASA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCCOC1 ZINC000388896562 711070964 /nfs/dbraw/zinc/07/09/64/711070964.db2.gz AJDHMSXOSJETMR-FRRDWIJNSA-N 0 3 249.354 2.858 20 10 BFCDHN CC(C)[C@@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC000393448868 711159125 /nfs/dbraw/zinc/15/91/25/711159125.db2.gz VFKRBPKIKIOJFQ-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN CC(C)[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC000393448868 711159129 /nfs/dbraw/zinc/15/91/29/711159129.db2.gz VFKRBPKIKIOJFQ-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccccc1[O-] ZINC000393967097 711179910 /nfs/dbraw/zinc/17/99/10/711179910.db2.gz RRTSAAURDYZFHN-JQWIXIFHSA-N 0 3 237.343 2.592 20 10 BFCDHN CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000389983114 711101702 /nfs/dbraw/zinc/10/17/02/711101702.db2.gz KKCKLFTZLULHOG-CMPLNLGQSA-N 0 3 205.301 2.670 20 10 BFCDHN CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1[O-] ZINC000397314342 711380548 /nfs/dbraw/zinc/38/05/48/711380548.db2.gz SYKPEUDUKRXBNY-HIFRSBDPSA-N 0 3 249.354 2.860 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2=CCOCC2)c([O-])c1 ZINC000397710543 711389612 /nfs/dbraw/zinc/38/96/12/711389612.db2.gz PCUZADGXDULVLG-LBPRGKRZSA-N 0 3 247.338 2.698 20 10 BFCDHN C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000397793567 711391606 /nfs/dbraw/zinc/39/16/06/711391606.db2.gz ATEJFFINCRDFAE-YUSALJHKSA-N 0 3 249.379 2.721 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CS1 ZINC000397820219 711393014 /nfs/dbraw/zinc/39/30/14/711393014.db2.gz JTSGIFZOBXMXIF-LDYMZIIASA-N 0 3 241.331 2.515 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000397847357 711394012 /nfs/dbraw/zinc/39/40/12/711394012.db2.gz YFRJZYVNMMRRBV-YVECIDJPSA-N 0 3 229.323 2.768 20 10 BFCDHN COc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1[O-] ZINC000399634115 711432993 /nfs/dbraw/zinc/43/29/93/711432993.db2.gz WFOPWMJPUPKXOB-SRVKXCTJSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1[O-] ZINC000399634115 711432994 /nfs/dbraw/zinc/43/29/94/711432994.db2.gz WFOPWMJPUPKXOB-SRVKXCTJSA-N 0 3 249.354 2.877 20 10 BFCDHN C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000161351491 711811280 /nfs/dbraw/zinc/81/12/80/711811280.db2.gz SUADYFWVVTUKJX-MNOVXSKESA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000161351491 711811281 /nfs/dbraw/zinc/81/12/81/711811281.db2.gz SUADYFWVVTUKJX-MNOVXSKESA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@H](F)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000702619536 712056622 /nfs/dbraw/zinc/05/66/22/712056622.db2.gz OWVNMZSLMYZIJQ-GXSJLCMTSA-N 0 3 223.291 2.717 20 10 BFCDHN CSC1CC([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000708292412 712185732 /nfs/dbraw/zinc/18/57/32/712185732.db2.gz ZJIBDOJUXLABRU-KPPDAEKUSA-N 0 3 237.368 2.937 20 10 BFCDHN C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000709715032 712216570 /nfs/dbraw/zinc/21/65/70/712216570.db2.gz MQKMDAXIHLDCJX-JQWIXIFHSA-N 0 3 237.368 2.766 20 10 BFCDHN C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000709715034 712216781 /nfs/dbraw/zinc/21/67/81/712216781.db2.gz MQKMDAXIHLDCJX-PWSUYJOCSA-N 0 3 237.368 2.766 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711477094 712305673 /nfs/dbraw/zinc/30/56/73/712305673.db2.gz OXPKBZZSAQHPDV-JTQLQIEISA-N 0 3 241.281 2.713 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711477094 712305676 /nfs/dbraw/zinc/30/56/76/712305676.db2.gz OXPKBZZSAQHPDV-JTQLQIEISA-N 0 3 241.281 2.713 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1C=CCC1)CC2 ZINC000711766797 712327229 /nfs/dbraw/zinc/32/72/29/712327229.db2.gz JKPSOTBJEBEIAR-DGCLKSJQSA-N 0 3 229.323 2.935 20 10 BFCDHN COC(C)(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000711838389 712332420 /nfs/dbraw/zinc/33/24/20/712332420.db2.gz DGZBYGKLLCONMN-NSHDSACASA-N 0 3 237.343 2.858 20 10 BFCDHN CC1(C)CCC[C@@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000714355790 712483783 /nfs/dbraw/zinc/48/37/83/712483783.db2.gz ZGPCWAWKAXBADV-ZDUSSCGKSA-N 0 3 249.354 2.830 20 10 BFCDHN CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000716896671 712581236 /nfs/dbraw/zinc/58/12/36/712581236.db2.gz XALMMHKSJHWGTL-RAIGVLPGSA-N 0 3 249.354 2.519 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1[O-] ZINC000038043887 712803196 /nfs/dbraw/zinc/80/31/96/712803196.db2.gz NTWSSSBOXUGPJZ-TZMCWYRMSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000038095424 712807959 /nfs/dbraw/zinc/80/79/59/712807959.db2.gz LFBSYBLZZPKNKY-RYUDHWBXSA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@@H](F)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000380316495 712883006 /nfs/dbraw/zinc/88/30/06/712883006.db2.gz JAZJJUYPCAPHBS-NXEZZACHSA-N 0 3 211.280 2.791 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@H](F)C[C@H]2C)c1 ZINC001140617686 960458799 /nfs/dbraw/zinc/45/87/99/960458799.db2.gz XDXDPFXLWDBANA-ZYHUDNBSSA-N 0 3 223.291 2.633 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCCCC12CC2 ZINC001203558698 966690286 /nfs/dbraw/zinc/69/02/86/966690286.db2.gz WPYYBHKXKFOBJE-UHFFFAOYSA-N 0 3 217.312 2.911 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCCCC12CC2 ZINC001203558698 966690294 /nfs/dbraw/zinc/69/02/94/966690294.db2.gz WPYYBHKXKFOBJE-UHFFFAOYSA-N 0 3 217.312 2.911 20 10 BFCDHN CC[N@H+](CCCCOC)Cc1ccccc1[O-] ZINC001209219142 969406327 /nfs/dbraw/zinc/40/63/27/969406327.db2.gz HGWXAYHHBYYOBJ-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN CC[N@@H+](CCCCOC)Cc1ccccc1[O-] ZINC001209219142 969406329 /nfs/dbraw/zinc/40/63/29/969406329.db2.gz HGWXAYHHBYYOBJ-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC001238055700 980132100 /nfs/dbraw/zinc/13/21/00/980132100.db2.gz BXQYCHMMTDYJOZ-SNVBAGLBSA-N 0 3 223.291 2.824 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC001238055700 980132104 /nfs/dbraw/zinc/13/21/04/980132104.db2.gz BXQYCHMMTDYJOZ-SNVBAGLBSA-N 0 3 223.291 2.824 20 10 BFCDHN CC[C@@H]1CN(Cc2cccc(C)c2O)[C@H](C)CO1 ZINC000403847881 971073431 /nfs/dbraw/zinc/07/34/31/971073431.db2.gz FPUXDTVOTSECEF-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@@H](CC)CO1 ZINC000403888192 971084238 /nfs/dbraw/zinc/08/42/38/971084238.db2.gz VVDYMKKWDRFIKZ-UONOGXRCSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H](CC)CO1 ZINC000403888192 971084243 /nfs/dbraw/zinc/08/42/43/971084243.db2.gz VVDYMKKWDRFIKZ-UONOGXRCSA-N 0 3 249.354 2.782 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CCC(F)(F)CC1 ZINC000404870951 971185147 /nfs/dbraw/zinc/18/51/47/971185147.db2.gz UNXFNSZYPGFXPU-UHFFFAOYSA-N 0 3 227.254 2.623 20 10 BFCDHN CCC[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001257323535 971222551 /nfs/dbraw/zinc/22/25/51/971222551.db2.gz CTAODJSQWSUEKR-NSHDSACASA-N 0 3 219.328 2.939 20 10 BFCDHN CCC[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001257323535 971222561 /nfs/dbraw/zinc/22/25/61/971222561.db2.gz CTAODJSQWSUEKR-NSHDSACASA-N 0 3 219.328 2.939 20 10 BFCDHN CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccccc3[O-])C[C@@H]21 ZINC001170716813 971639070 /nfs/dbraw/zinc/63/90/70/971639070.db2.gz XSBIWFZIDJYPRM-XYYAHUGASA-N 0 3 231.339 2.916 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000693121197 957685308 /nfs/dbraw/zinc/68/53/08/957685308.db2.gz IKKWTWKINFBODI-RYUDHWBXSA-N 0 3 249.354 2.858 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000694276296 959816162 /nfs/dbraw/zinc/81/61/62/959816162.db2.gz FNJDTKMPGVLLQL-DDTOSNHZSA-N 0 3 247.338 2.679 20 10 BFCDHN C[C@@H]([NH2+]C1CC=CC1)c1cc(F)ccc1[O-] ZINC000164625953 959988787 /nfs/dbraw/zinc/98/87/87/959988787.db2.gz YOJSKQWXQDHDKV-SECBINFHSA-N 0 3 221.275 2.901 20 10 BFCDHN Cc1ccc(O)c(CN2CCOC[C@H]2C(C)C)c1 ZINC001140623417 960464691 /nfs/dbraw/zinc/46/46/91/960464691.db2.gz RJIKXMSCJYOBCF-AWEZNQCLSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(CN2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001140947797 960742196 /nfs/dbraw/zinc/74/21/96/960742196.db2.gz GASMXOZNQKXSRZ-GFCCVEGCSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001140957556 960758636 /nfs/dbraw/zinc/75/86/36/960758636.db2.gz DGZBHYYEKLTTLE-YPMHNXCESA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001140957556 960758651 /nfs/dbraw/zinc/75/86/51/960758651.db2.gz DGZBHYYEKLTTLE-YPMHNXCESA-N 0 3 217.312 2.685 20 10 BFCDHN CC(=O)[C@@H]1CCCCN1Cc1ccc(C)cc1O ZINC001140957663 960764409 /nfs/dbraw/zinc/76/44/09/960764409.db2.gz HPWKAXXTCLLBNQ-AWEZNQCLSA-N 0 3 247.338 2.644 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000402057335 961737812 /nfs/dbraw/zinc/73/78/12/961737812.db2.gz RYIMGNJEQZUODZ-WOPDTQHZSA-N 0 3 235.327 2.529 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1C=CCC1)CC2 ZINC000698268844 965168177 /nfs/dbraw/zinc/16/81/77/965168177.db2.gz ZOOFGUGAUTXHFQ-NEPJUHHUSA-N 0 3 215.296 2.688 20 10 BFCDHN CC(C)(F)CC[NH2+]Cc1ccccc1[O-] ZINC000698299115 965188760 /nfs/dbraw/zinc/18/87/60/965188760.db2.gz JRNPVFZDKCDBMZ-UHFFFAOYSA-N 0 3 211.280 2.620 20 10 BFCDHN COc1ccc(C[N@@H+]2C[C@@H](C)CC23CC3)c([O-])c1 ZINC001203634704 966714111 /nfs/dbraw/zinc/71/41/11/966714111.db2.gz RTQCUJPUPQETKZ-NSHDSACASA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc(C[N@H+]2C[C@@H](C)CC23CC3)c([O-])c1 ZINC001203634704 966714116 /nfs/dbraw/zinc/71/41/16/966714116.db2.gz RTQCUJPUPQETKZ-NSHDSACASA-N 0 3 247.338 2.775 20 10 BFCDHN Oc1cccc2c1CN(Cc1ccoc1)CC2 ZINC001204243756 966943283 /nfs/dbraw/zinc/94/32/83/966943283.db2.gz IGXHJLXJKFEZCI-UHFFFAOYSA-N 0 3 229.279 2.544 20 10 BFCDHN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC001203558701 967020246 /nfs/dbraw/zinc/02/02/46/967020246.db2.gz WUAOCEVRJXACCP-PBWFPOADSA-N 0 3 247.338 2.534 20 10 BFCDHN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC001203558701 967020256 /nfs/dbraw/zinc/02/02/56/967020256.db2.gz WUAOCEVRJXACCP-PBWFPOADSA-N 0 3 247.338 2.534 20 10 BFCDHN COC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001255562626 970347955 /nfs/dbraw/zinc/34/79/55/970347955.db2.gz DXOOJFUUFLSITA-LLVKDONJSA-N 0 3 245.322 2.670 20 10 BFCDHN C[C@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150931 970453936 /nfs/dbraw/zinc/45/39/36/970453936.db2.gz PXDYXPPAPAXMON-AAEUAGOBSA-N 0 3 231.339 2.939 20 10 BFCDHN C[C@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150931 970453943 /nfs/dbraw/zinc/45/39/43/970453943.db2.gz PXDYXPPAPAXMON-AAEUAGOBSA-N 0 3 231.339 2.939 20 10 BFCDHN Cc1cccc(Nc2ccncc2C)c1O ZINC001174537397 976822097 /nfs/dbraw/zinc/82/20/97/976822097.db2.gz FBTYWSIAGPBERP-UHFFFAOYSA-N 0 3 214.268 2.570 20 10 BFCDHN Cc1cccc(CN2C[C@H](F)C[C@H]2C)c1O ZINC001231590665 977644738 /nfs/dbraw/zinc/64/47/38/977644738.db2.gz DJSKIEDGFBGMLB-ZYHUDNBSSA-N 0 3 223.291 2.633 20 10 BFCDHN CC[C@@H]1COCCN1Cc1c(C)cc(C)cc1O ZINC001231846238 977765136 /nfs/dbraw/zinc/76/51/36/977765136.db2.gz IZMZCKCGOWYDIB-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN CCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001236782533 979727798 /nfs/dbraw/zinc/72/77/98/979727798.db2.gz CADIEAJDEMVKQB-TXEJJXNPSA-N 0 3 249.354 2.564 20 10 BFCDHN CCc1ccc(CN2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001236782463 979732704 /nfs/dbraw/zinc/73/27/04/979732704.db2.gz BKZUTVXDMVAESX-ZWNOBZJWSA-N 0 3 237.318 2.887 20 10 BFCDHN CCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001236782536 979733676 /nfs/dbraw/zinc/73/36/76/979733676.db2.gz CADIEAJDEMVKQB-VXGBXAGGSA-N 0 3 249.354 2.564 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCCC23CC3)c([O-])c1 ZINC001236819568 979748024 /nfs/dbraw/zinc/74/80/24/979748024.db2.gz WQUAIOWCRBOJBZ-UHFFFAOYSA-N 0 3 247.338 2.838 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCCC23CC3)c([O-])c1 ZINC001236819568 979748032 /nfs/dbraw/zinc/74/80/32/979748032.db2.gz WQUAIOWCRBOJBZ-UHFFFAOYSA-N 0 3 247.338 2.838 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@H](C)C1 ZINC001237490913 979915586 /nfs/dbraw/zinc/91/55/86/979915586.db2.gz JHYZUEKIKDEIEA-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@H](C)C1 ZINC001237490913 979915594 /nfs/dbraw/zinc/91/55/94/979915594.db2.gz JHYZUEKIKDEIEA-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC000688440584 985639462 /nfs/dbraw/zinc/63/94/62/985639462.db2.gz UPKAOULDGYYTFF-GRYCIOLGSA-N 0 3 235.327 2.610 20 10 BFCDHN Cn1ccc2c1ccnc2-c1ccc2cncn2c1 ZINC001245895394 987106046 /nfs/dbraw/zinc/10/60/46/987106046.db2.gz YNXPKHXYPHYNFT-UHFFFAOYSA-N 0 3 248.289 2.888 20 10 BFCDHN COc1cc(C)c(C[N@H+]2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC001308569418 991041474 /nfs/dbraw/zinc/04/14/74/991041474.db2.gz IBYURCJAXNEDPG-CMPLNLGQSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC001308569418 991041468 /nfs/dbraw/zinc/04/14/68/991041468.db2.gz IBYURCJAXNEDPG-CMPLNLGQSA-N 0 3 249.354 2.940 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+](CC1CC1)C1CC1 ZINC001140059955 991507300 /nfs/dbraw/zinc/50/73/00/991507300.db2.gz CMFHMQMDTMSNQI-UHFFFAOYSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001140059955 991507305 /nfs/dbraw/zinc/50/73/05/991507305.db2.gz CMFHMQMDTMSNQI-UHFFFAOYSA-N 0 3 235.302 2.906 20 10 BFCDHN Cc1ccc(C)c(CN2CCOCC2(C)C)c1O ZINC001140182062 991553693 /nfs/dbraw/zinc/55/36/93/991553693.db2.gz HKYHYZFRHHJIBF-UHFFFAOYSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCSC2)cc1C ZINC000266124235 178197739 /nfs/dbraw/zinc/19/77/39/178197739.db2.gz AZJLYJDGASSVRW-GFCCVEGCSA-N 0 3 237.368 2.604 20 10 BFCDHN CCC(CC)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000106479873 168361591 /nfs/dbraw/zinc/36/15/91/168361591.db2.gz GXGXBRDZJCRRIN-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN Cc1ccoc1CN(C)Cc1ccccc1O ZINC000091974551 398303988 /nfs/dbraw/zinc/30/39/88/398303988.db2.gz FHQFTYKBYGSXSI-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN CCOc1cccc(C[NH+](CC)CC)c1[O-] ZINC000034557335 343274695 /nfs/dbraw/zinc/27/46/95/343274695.db2.gz JNCWMLJRAWCUHG-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCCCOCCNCc1ccc2c(c1)CCO2 ZINC000040506987 343406153 /nfs/dbraw/zinc/40/61/53/343406153.db2.gz DHSFCEDAZIKHCK-UHFFFAOYSA-N 0 3 249.354 2.528 20 10 BFCDHN C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296429153 136375935 /nfs/dbraw/zinc/37/59/35/136375935.db2.gz LTSDTFGOGKMPAT-MNOVXSKESA-N 0 3 237.343 2.592 20 10 BFCDHN CC1(C)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000132729777 344307526 /nfs/dbraw/zinc/30/75/26/344307526.db2.gz FOXCNBFYHAUWJI-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN CC1(C)CCC[N@H+]1Cc1ccccc1[O-] ZINC000132729777 344307527 /nfs/dbraw/zinc/30/75/27/344307527.db2.gz FOXCNBFYHAUWJI-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN CC1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])C(C)(C)O1 ZINC000130443268 345275106 /nfs/dbraw/zinc/27/51/06/345275106.db2.gz ZYZYUOKEACZNJX-CYBMUJFWSA-N 0 3 249.354 2.828 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)c([O-])c1C ZINC000273612595 178849323 /nfs/dbraw/zinc/84/93/23/178849323.db2.gz WQCQVJUFIBWMDY-OLZOCXBDSA-N 0 3 249.354 2.839 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1[O-] ZINC000155313228 346345620 /nfs/dbraw/zinc/34/56/20/346345620.db2.gz JTCYPLXLRKSVIZ-TZMCWYRMSA-N 0 3 248.370 2.527 20 10 BFCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC000162819418 179077716 /nfs/dbraw/zinc/07/77/16/179077716.db2.gz TYRXCUNUIALVRJ-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC000162819418 179077719 /nfs/dbraw/zinc/07/77/19/179077719.db2.gz TYRXCUNUIALVRJ-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc(C[NH2+]CC2(C3CC3)CC2)c1[O-] ZINC000224914496 179089397 /nfs/dbraw/zinc/08/93/97/179089397.db2.gz QKMCBHHBMLUUQT-UHFFFAOYSA-N 0 3 231.339 2.980 20 10 BFCDHN Cc1cccc(C[NH2+]C2CCCC2)c1[O-] ZINC000083344435 179089805 /nfs/dbraw/zinc/08/98/05/179089805.db2.gz AUASVQBRLAFIEK-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000124863133 179098791 /nfs/dbraw/zinc/09/87/91/179098791.db2.gz DVRFMJNVZGAURC-CYBMUJFWSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc(CNCc2ncccc2C)c1O ZINC000161122360 179381818 /nfs/dbraw/zinc/38/18/18/179381818.db2.gz QWSGDXFEQPNQLH-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCOCC2CC2)c1 ZINC000230661266 353521881 /nfs/dbraw/zinc/52/18/81/353521881.db2.gz QSKHCDAENCUGAK-GFCCVEGCSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(C)(C)O ZINC000294988706 364778246 /nfs/dbraw/zinc/77/82/46/364778246.db2.gz LDJZTERSASWIPJ-GXFFZTMASA-N 0 3 237.343 2.592 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000226610859 183274780 /nfs/dbraw/zinc/27/47/80/183274780.db2.gz ONWBBBCRFZZZKJ-GFCCVEGCSA-N 0 3 221.275 2.730 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000361056313 183275360 /nfs/dbraw/zinc/27/53/60/183275360.db2.gz YNKQMZYFZFTVHU-LLVKDONJSA-N 0 3 235.302 2.763 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000361056313 183275363 /nfs/dbraw/zinc/27/53/63/183275363.db2.gz YNKQMZYFZFTVHU-LLVKDONJSA-N 0 3 235.302 2.763 20 10 BFCDHN CCC[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000179931234 169177284 /nfs/dbraw/zinc/17/72/84/169177284.db2.gz HNBLYCYGOHQEFF-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN CCC[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000179931234 169177286 /nfs/dbraw/zinc/17/72/86/169177286.db2.gz HNBLYCYGOHQEFF-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CC(F)(F)C1)CC2 ZINC000296337914 183296715 /nfs/dbraw/zinc/29/67/15/183296715.db2.gz GRTBLESUIBHGCI-JTQLQIEISA-N 0 3 239.265 2.767 20 10 BFCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000180098290 169177557 /nfs/dbraw/zinc/17/75/57/169177557.db2.gz BHHADUFKXJRRGM-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000180098290 169177558 /nfs/dbraw/zinc/17/75/58/169177558.db2.gz BHHADUFKXJRRGM-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCCC(F)(F)F ZINC000097988986 183301448 /nfs/dbraw/zinc/30/14/48/183301448.db2.gz OKXLHVGZCDJNOW-UHFFFAOYSA-N 0 3 233.233 2.824 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCCc2occc2C1 ZINC000290073533 183301634 /nfs/dbraw/zinc/30/16/34/183301634.db2.gz FXSXJXIBBMCGSU-UHFFFAOYSA-N 0 3 243.306 2.934 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCCc2occc2C1 ZINC000290073533 183301636 /nfs/dbraw/zinc/30/16/36/183301636.db2.gz FXSXJXIBBMCGSU-UHFFFAOYSA-N 0 3 243.306 2.934 20 10 BFCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000019943532 183303272 /nfs/dbraw/zinc/30/32/72/183303272.db2.gz NPUUNXDMWKJVHL-UHFFFAOYSA-N 0 3 231.270 2.821 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCOc1ccccc1 ZINC000042895558 183304045 /nfs/dbraw/zinc/30/40/45/183304045.db2.gz YDULIEFBKPMPAN-UHFFFAOYSA-N 0 3 243.306 2.561 20 10 BFCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000069009998 169178366 /nfs/dbraw/zinc/17/83/66/169178366.db2.gz CRYDMFUCAZANCY-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000069009998 169178368 /nfs/dbraw/zinc/17/83/68/169178368.db2.gz CRYDMFUCAZANCY-CQSZACIVSA-N 0 3 249.354 2.783 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1O ZINC000001594830 383910057 /nfs/dbraw/zinc/91/00/57/383910057.db2.gz FIOWAMVKCQRZPM-UHFFFAOYSA-N 0 3 243.306 2.730 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1O ZINC000001594830 383910062 /nfs/dbraw/zinc/91/00/62/383910062.db2.gz FIOWAMVKCQRZPM-UHFFFAOYSA-N 0 3 243.306 2.730 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)C2CC2)c1 ZINC000070955176 383971357 /nfs/dbraw/zinc/97/13/57/383971357.db2.gz YNDSJLLGJKQSNW-SNVBAGLBSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCOC2)c1 ZINC000038044679 384061818 /nfs/dbraw/zinc/06/18/18/384061818.db2.gz HQGDJVIVIIYMPZ-QWHCGFSZSA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)C(C)C)c1 ZINC000070955096 384143109 /nfs/dbraw/zinc/14/31/09/384143109.db2.gz CMVAEENLROFHEP-LLVKDONJSA-N 0 3 207.317 2.835 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)CCC2CC2)c1 ZINC000092067204 384161875 /nfs/dbraw/zinc/16/18/75/384161875.db2.gz XYCTUDTZRWQDKI-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)CCC2CC2)c1 ZINC000092067204 384161881 /nfs/dbraw/zinc/16/18/81/384161881.db2.gz XYCTUDTZRWQDKI-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(O)c(CN[C@@H](C)c2cccnc2)c1 ZINC000071406425 384166419 /nfs/dbraw/zinc/16/64/19/384166419.db2.gz VPCVAXMHCNMCNJ-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2cccnc2)c1 ZINC000071406425 384166426 /nfs/dbraw/zinc/16/64/26/384166426.db2.gz VPCVAXMHCNMCNJ-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C2CC(C)C2)c1 ZINC000080248911 384166507 /nfs/dbraw/zinc/16/65/07/384166507.db2.gz SFCRECIONCLDLH-UHFFFAOYSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2CCC(C)CC2)c1 ZINC000132436684 384230265 /nfs/dbraw/zinc/23/02/65/384230265.db2.gz APICLSQYCJGDSM-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+](C)C(C)C)c1 ZINC000158735134 384261309 /nfs/dbraw/zinc/26/13/09/384261309.db2.gz WDWWVKHZVRAQGG-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+](C)C(C)C)c1 ZINC000158735134 384261320 /nfs/dbraw/zinc/26/13/20/384261320.db2.gz WDWWVKHZVRAQGG-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CC[C@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618290 384306142 /nfs/dbraw/zinc/30/61/42/384306142.db2.gz XOJNAQDMZUIUJI-GXSJLCMTSA-N 0 3 241.306 2.607 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H](C)COC)c1ccccc1[O-] ZINC000045656076 384400406 /nfs/dbraw/zinc/40/04/06/384400406.db2.gz GSNPDPXKTPKAGT-DGCLKSJQSA-N 0 3 237.343 2.715 20 10 BFCDHN COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000045656889 384403007 /nfs/dbraw/zinc/40/30/07/384403007.db2.gz HKHNHVBZNHFJBY-RYUDHWBXSA-N 0 3 237.343 2.634 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2CC2)c1 ZINC000035628486 384418104 /nfs/dbraw/zinc/41/81/04/384418104.db2.gz WCYDKIMORMIMIJ-JTQLQIEISA-N 0 3 205.301 2.761 20 10 BFCDHN CC[C@@H](COC)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000079733405 384510487 /nfs/dbraw/zinc/51/04/87/384510487.db2.gz MIKZQRCHQRLSJL-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN C[C@@H]([NH2+]CC1CCC1)c1ccccc1[O-] ZINC000037180100 384487218 /nfs/dbraw/zinc/48/72/18/384487218.db2.gz JEBHERXHHLFNRP-SNVBAGLBSA-N 0 3 205.301 2.843 20 10 BFCDHN C[C@@H]([NH2+]CCc1ccccn1)c1ccccc1[O-] ZINC000019916573 384558405 /nfs/dbraw/zinc/55/84/05/384558405.db2.gz AGUATONONKDWIC-GFCCVEGCSA-N 0 3 242.322 2.681 20 10 BFCDHN C[C@H]([NH2+]CCc1ccccn1)c1ccccc1[O-] ZINC000019916575 384559362 /nfs/dbraw/zinc/55/93/62/384559362.db2.gz AGUATONONKDWIC-LBPRGKRZSA-N 0 3 242.322 2.681 20 10 BFCDHN C[C@@H]([NH2+]CCCN1CCCC1)c1ccccc1[O-] ZINC000020129007 384581503 /nfs/dbraw/zinc/58/15/03/384581503.db2.gz HFQIMLQHNKHSCI-CYBMUJFWSA-N 0 3 248.370 2.529 20 10 BFCDHN CC[C@H](CSC)[NH2+]Cc1cccc(C)c1[O-] ZINC000162733351 384676401 /nfs/dbraw/zinc/67/64/01/384676401.db2.gz YCGVLUXLNRQJEF-GFCCVEGCSA-N 0 3 239.384 2.932 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000051992108 384708437 /nfs/dbraw/zinc/70/84/37/384708437.db2.gz WEJSQOCPSZFECS-GUTXKFCHSA-N 0 3 249.354 2.736 20 10 BFCDHN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186506619 384848004 /nfs/dbraw/zinc/84/80/04/384848004.db2.gz CFMWKXSKJADVCF-QITAHTHBSA-N 0 3 249.354 2.678 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccccc1[O-] ZINC000187985842 385001712 /nfs/dbraw/zinc/00/17/12/385001712.db2.gz ZHBOVXSDBYYKAO-SCRDCRAPSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(F)ccc1[O-] ZINC000164601724 385019741 /nfs/dbraw/zinc/01/97/41/385019741.db2.gz DYFZRZAFLDRZCD-LPEHRKFASA-N 0 3 223.291 2.838 20 10 BFCDHN C[C@H]([NH2+]CC1(O)CCCCC1)c1ccccc1[O-] ZINC000087016947 385067990 /nfs/dbraw/zinc/06/79/90/385067990.db2.gz YUKNOBANUVNYDA-LBPRGKRZSA-N 0 3 249.354 2.738 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c([O-])c1 ZINC000189288472 385140423 /nfs/dbraw/zinc/14/04/23/385140423.db2.gz ADMCKNPSSWVNNO-XQQFMLRXSA-N 0 3 249.354 2.512 20 10 BFCDHN C[C@@H]([NH2+]CCc1nccs1)c1ccccc1[O-] ZINC000063133529 385212135 /nfs/dbraw/zinc/21/21/35/385212135.db2.gz ZXDTYNRXTALGAO-SNVBAGLBSA-N 0 3 248.351 2.742 20 10 BFCDHN CC[C@]1(C)CN(Cc2cc(C)ccc2O)CCO1 ZINC000191152572 385287755 /nfs/dbraw/zinc/28/77/55/385287755.db2.gz OOABTLPDGXEVCY-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN CC/C=C/C[NH2+]Cc1cc(C)ccc1[O-] ZINC000294970373 385344077 /nfs/dbraw/zinc/34/40/77/385344077.db2.gz FREOWCMDOLSNLJ-SNAWJCMRSA-N 0 3 205.301 2.756 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1[O-] ZINC000155312936 385386088 /nfs/dbraw/zinc/38/60/88/385386088.db2.gz JTCYPLXLRKSVIZ-JSGCOSHPSA-N 0 3 248.370 2.527 20 10 BFCDHN CC[C@H]1C[N@H+](Cc2ccccc2[O-])CCS1 ZINC000179577137 385476823 /nfs/dbraw/zinc/47/68/23/385476823.db2.gz HUJCMGZIKIUBBY-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN CC[C@H]1C[N@@H+](Cc2ccccc2[O-])CCS1 ZINC000179577137 385476825 /nfs/dbraw/zinc/47/68/25/385476825.db2.gz HUJCMGZIKIUBBY-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN CC[C@H]1CN(Cc2cccc(C)c2O)C[C@H](C)O1 ZINC000179855068 385493935 /nfs/dbraw/zinc/49/39/35/385493935.db2.gz GCQKFLQOPSRCFL-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]1CN(Cc2cccc(C)c2O)C[C@H](C)O1 ZINC000179855050 385494084 /nfs/dbraw/zinc/49/40/84/385494084.db2.gz GCQKFLQOPSRCFL-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CCC=C(C)C2)c1[O-] ZINC000281890041 385712421 /nfs/dbraw/zinc/71/24/21/385712421.db2.gz WEKGLQSIKCLUDP-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1cccc(C[N@H+]2CCC=C(C)C2)c1[O-] ZINC000281890041 385712425 /nfs/dbraw/zinc/71/24/25/385712425.db2.gz WEKGLQSIKCLUDP-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)c([O-])c1 ZINC000230667657 385747582 /nfs/dbraw/zinc/74/75/82/385747582.db2.gz TYZQCZARBWVOOQ-WDEREUQCSA-N 0 3 237.368 2.857 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000230670359 385747669 /nfs/dbraw/zinc/74/76/69/385747669.db2.gz PFVOWQOLHOLORU-RWMBFGLXSA-N 0 3 249.354 2.919 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(F)ccc1[O-] ZINC000230667725 385747805 /nfs/dbraw/zinc/74/78/05/385747805.db2.gz NPQNOCDZCNDPEJ-PSASIEDQSA-N 0 3 241.331 2.687 20 10 BFCDHN CCCC[N@H+](CCC(C)=O)Cc1ccccc1[O-] ZINC000282458312 385764231 /nfs/dbraw/zinc/76/42/31/385764231.db2.gz MMVXZBDCZUFHPY-UHFFFAOYSA-N 0 3 249.354 2.973 20 10 BFCDHN CCCC[N@@H+](CCC(C)=O)Cc1ccccc1[O-] ZINC000282458312 385764235 /nfs/dbraw/zinc/76/42/35/385764235.db2.gz MMVXZBDCZUFHPY-UHFFFAOYSA-N 0 3 249.354 2.973 20 10 BFCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N(C)C1CC1 ZINC000183496928 385765813 /nfs/dbraw/zinc/76/58/13/385765813.db2.gz VCMWXLZHJFZEKR-VXGBXAGGSA-N 0 3 248.370 2.526 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000183564812 385772498 /nfs/dbraw/zinc/77/24/98/385772498.db2.gz IJKAPYZBFPVDCX-NEPJUHHUSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(C)COC2)c([O-])c1 ZINC000283967197 385843562 /nfs/dbraw/zinc/84/35/62/385843562.db2.gz GIVPRJUPPCRGAV-GFCCVEGCSA-N 0 3 249.354 2.696 20 10 BFCDHN CCC1([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000294823928 385899090 /nfs/dbraw/zinc/89/90/90/385899090.db2.gz PETSQCGSWVPDDJ-SNVBAGLBSA-N 0 3 235.327 2.994 20 10 BFCDHN C[N@H+](CCCCF)Cc1ccccc1[O-] ZINC000285121399 385901426 /nfs/dbraw/zinc/90/14/26/385901426.db2.gz AMVMXZJNRIMKSC-UHFFFAOYSA-N 0 3 211.280 2.574 20 10 BFCDHN C[N@@H+](CCCCF)Cc1ccccc1[O-] ZINC000285121399 385901429 /nfs/dbraw/zinc/90/14/29/385901429.db2.gz AMVMXZJNRIMKSC-UHFFFAOYSA-N 0 3 211.280 2.574 20 10 BFCDHN CCCCOCCC[NH2+]Cc1ccccc1[O-] ZINC000083365135 385959688 /nfs/dbraw/zinc/95/96/88/385959688.db2.gz MXFXVZKWIDYTAG-UHFFFAOYSA-N 0 3 237.343 2.689 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c([O-])c1C ZINC000273387008 385995692 /nfs/dbraw/zinc/99/56/92/385995692.db2.gz JSWBUNYVUFVEPZ-STQMWFEESA-N 0 3 249.354 2.839 20 10 BFCDHN CCC[C@H](C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000289404808 386299321 /nfs/dbraw/zinc/29/93/21/386299321.db2.gz GZPYSQVFAQSWMP-NSHDSACASA-N 0 3 237.343 2.927 20 10 BFCDHN CC[C@H]([NH2+]CCC[C@H](C)O)c1ccccc1[O-] ZINC000228033419 386532437 /nfs/dbraw/zinc/53/24/37/386532437.db2.gz GOOIMKXZLABGJS-AAEUAGOBSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccccc1[O-] ZINC000228851619 386627983 /nfs/dbraw/zinc/62/79/83/386627983.db2.gz OVQWBYLTXNYZFZ-IACUBPJLSA-N 0 3 249.354 2.592 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CSC2(C)C)c1[O-] ZINC000282836442 386760640 /nfs/dbraw/zinc/76/06/40/386760640.db2.gz CEVIBWHTRIFYIS-NSHDSACASA-N 0 3 237.368 2.684 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)CCO)c1ccc(C)cc1[O-] ZINC000280121783 386780415 /nfs/dbraw/zinc/78/04/15/386780415.db2.gz OHHIZXRIBRRMLA-YPMHNXCESA-N 0 3 237.343 2.512 20 10 BFCDHN CO[C@@]1(C)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000280128709 386780609 /nfs/dbraw/zinc/78/06/09/386780609.db2.gz CHKFLLMOMVKBKR-HNNXBMFYSA-N 0 3 249.354 2.783 20 10 BFCDHN CO[C@@]1(C)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000280128709 386780614 /nfs/dbraw/zinc/78/06/14/386780614.db2.gz CHKFLLMOMVKBKR-HNNXBMFYSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C2(C(C)C)CC2)c1 ZINC000292953184 387332842 /nfs/dbraw/zinc/33/28/42/387332842.db2.gz IVMPQCJSJDNGNZ-UHFFFAOYSA-N 0 3 219.328 2.979 20 10 BFCDHN CCC[C@@H](O)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000119241797 387553653 /nfs/dbraw/zinc/55/36/53/387553653.db2.gz MOOOZLOWLHOLDT-DGCLKSJQSA-N 0 3 237.343 2.594 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CC2CC=CC2)c1 ZINC000527749980 387691812 /nfs/dbraw/zinc/69/18/12/387691812.db2.gz APVJXSBMLISGCV-UHFFFAOYSA-N 0 3 247.338 2.847 20 10 BFCDHN CC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168827096 387798584 /nfs/dbraw/zinc/79/85/84/387798584.db2.gz DIXDLNKNISXQDR-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCO2)c([O-])c1 ZINC000284045953 177874553 /nfs/dbraw/zinc/87/45/53/177874553.db2.gz KBCCLFQDTGDSOQ-QWHCGFSZSA-N 0 3 249.354 2.839 20 10 BFCDHN CC[C@@H](CSC)[NH2+]Cc1ccccc1[O-] ZINC000162160135 388118707 /nfs/dbraw/zinc/11/87/07/388118707.db2.gz KIFVSNSKFNUTIZ-NSHDSACASA-N 0 3 225.357 2.623 20 10 BFCDHN CC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])OC ZINC000290222013 388377341 /nfs/dbraw/zinc/37/73/41/388377341.db2.gz QXNDBDKABULUPO-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000293770791 388391408 /nfs/dbraw/zinc/39/14/08/388391408.db2.gz SDLTUZJPSOOEDA-IAQYHMDHSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000296295576 388420415 /nfs/dbraw/zinc/42/04/15/388420415.db2.gz FQEWYFNZXVXPLE-FZMZJTMJSA-N 0 3 249.354 2.919 20 10 BFCDHN CCC[C@@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297547001 388430278 /nfs/dbraw/zinc/43/02/78/388430278.db2.gz FKTAJCQXHFJSII-SWLSCSKDSA-N 0 3 249.354 2.520 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1[O-] ZINC000228797625 388774378 /nfs/dbraw/zinc/77/43/78/388774378.db2.gz HMVMFMINGAXJRP-ZJUUUORDSA-N 0 3 223.341 2.548 20 10 BFCDHN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000273605174 389043153 /nfs/dbraw/zinc/04/31/53/389043153.db2.gz TWYWVZFTMNIQIX-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN CCOc1cccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000211545300 398045579 /nfs/dbraw/zinc/04/55/79/398045579.db2.gz VRVKHEIZSQZVMS-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN CCC[C@]1(CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000278580103 398038993 /nfs/dbraw/zinc/03/89/93/398038993.db2.gz DCKGZOZTJYYYJG-OAHLLOKOSA-N 0 3 249.354 2.519 20 10 BFCDHN CCC[C@]1(CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000278580103 398038994 /nfs/dbraw/zinc/03/89/94/398038994.db2.gz DCKGZOZTJYYYJG-OAHLLOKOSA-N 0 3 249.354 2.519 20 10 BFCDHN CC(C)OCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296075573 167226491 /nfs/dbraw/zinc/22/64/91/167226491.db2.gz SJNRXONXOMDPHQ-ZDUSSCGKSA-N 0 3 249.354 2.784 20 10 BFCDHN Cc1cccc(C[N@H+]2CC=C(C)CC2)c1[O-] ZINC000271783769 168114604 /nfs/dbraw/zinc/11/46/04/168114604.db2.gz HXKQAKLECBQSJH-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC=C(C)CC2)c1[O-] ZINC000271783769 168114608 /nfs/dbraw/zinc/11/46/08/168114608.db2.gz HXKQAKLECBQSJH-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN CC1=CC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000272269164 168114802 /nfs/dbraw/zinc/11/48/02/168114802.db2.gz LCOBPTWRZABNLP-UHFFFAOYSA-N 0 3 221.275 2.683 20 10 BFCDHN CC1=CC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000272269164 168114804 /nfs/dbraw/zinc/11/48/04/168114804.db2.gz LCOBPTWRZABNLP-UHFFFAOYSA-N 0 3 221.275 2.683 20 10 BFCDHN CCC(C)(C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000189991906 168282133 /nfs/dbraw/zinc/28/21/33/168282133.db2.gz YPDDYOUJYUFLGS-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000134910093 170140616 /nfs/dbraw/zinc/14/06/16/170140616.db2.gz KJJYBNWCPKHUDL-JTQLQIEISA-N 0 3 219.328 2.942 20 10 BFCDHN CCOCCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000019963019 170383202 /nfs/dbraw/zinc/38/32/02/170383202.db2.gz NBGQGEPXEYUTQS-CYBMUJFWSA-N 0 3 237.343 2.860 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000135749901 171012134 /nfs/dbraw/zinc/01/21/34/171012134.db2.gz XVVSZAPAEMGBNA-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000135749901 171012136 /nfs/dbraw/zinc/01/21/36/171012136.db2.gz XVVSZAPAEMGBNA-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000042551932 171389630 /nfs/dbraw/zinc/38/96/30/171389630.db2.gz QNXVARCUFHFBEV-QWRGUYRKSA-N 0 3 207.317 2.916 20 10 BFCDHN CC[C@H](C[NH2+][C@H](CC)c1ccccc1[O-])OC ZINC000290190536 171440411 /nfs/dbraw/zinc/44/04/11/171440411.db2.gz OGBKGZBGASYQBA-DGCLKSJQSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1[O-] ZINC000109543249 171540222 /nfs/dbraw/zinc/54/02/22/171540222.db2.gz KICVYHKRPJTBJJ-YPMHNXCESA-N 0 3 235.327 2.612 20 10 BFCDHN CN1CCC[C@H]1CCSc1nccs1 ZINC000153995310 173054089 /nfs/dbraw/zinc/05/40/89/173054089.db2.gz WXLQSHPHJSUTFI-VIFPVBQESA-N 0 3 228.386 2.720 20 10 BFCDHN COCC(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000293659036 174075774 /nfs/dbraw/zinc/07/57/74/174075774.db2.gz LTPLFBFHPWUEDW-LLVKDONJSA-N 0 3 237.343 2.715 20 10 BFCDHN COCC(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296633446 174076370 /nfs/dbraw/zinc/07/63/70/174076370.db2.gz BNLHQJONPIVISH-LBPRGKRZSA-N 0 3 249.354 2.642 20 10 BFCDHN COCC1(CC[NH2+]Cc2ccccc2[O-])CCC1 ZINC000292868136 174094826 /nfs/dbraw/zinc/09/48/26/174094826.db2.gz CXRRDUNCERPJEO-UHFFFAOYSA-N 0 3 249.354 2.689 20 10 BFCDHN COCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000020142672 174250921 /nfs/dbraw/zinc/25/09/21/174250921.db2.gz BQIZWMIQJNOXAC-NEPJUHHUSA-N 0 3 249.354 2.875 20 10 BFCDHN CO[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C(C)C ZINC000294102637 174870188 /nfs/dbraw/zinc/87/01/88/174870188.db2.gz CCCSBGNGBGVRIL-GXTWGEPZSA-N 0 3 249.354 2.640 20 10 BFCDHN COc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000019908976 175107882 /nfs/dbraw/zinc/10/78/82/175107882.db2.gz SXVLTJCZURMIRN-UHFFFAOYSA-N 0 3 243.306 2.691 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000131874019 175157770 /nfs/dbraw/zinc/15/77/70/175157770.db2.gz MSLXSNDZMGPHQB-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000131874019 175157773 /nfs/dbraw/zinc/15/77/73/175157773.db2.gz MSLXSNDZMGPHQB-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)C)c1 ZINC000040492760 175158596 /nfs/dbraw/zinc/15/85/96/175158596.db2.gz VQQGEJFLFVUTMZ-UHFFFAOYSA-N 0 3 223.316 2.537 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)C(C)C)c1 ZINC000020522503 175158964 /nfs/dbraw/zinc/15/89/64/175158964.db2.gz DVYYBWJGZKWAHY-JTQLQIEISA-N 0 3 223.316 2.535 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]Cc2ccccc2)c1 ZINC000020086648 175159094 /nfs/dbraw/zinc/15/90/94/175159094.db2.gz NFQWSKHSARJBQH-UHFFFAOYSA-N 0 3 243.306 2.691 20 10 BFCDHN COc1ccc(O)c(CNCc2ccccc2)c1 ZINC000020086648 175159096 /nfs/dbraw/zinc/15/90/96/175159096.db2.gz NFQWSKHSARJBQH-UHFFFAOYSA-N 0 3 243.306 2.691 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C2CCCCC2)c1 ZINC000020085391 175159514 /nfs/dbraw/zinc/15/95/14/175159514.db2.gz JYQQXQMEVLSFFP-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000071205856 175159547 /nfs/dbraw/zinc/15/95/47/175159547.db2.gz YWCSBSBMMJXXRB-ZWNOBZJWSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[N@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000158083069 175254552 /nfs/dbraw/zinc/25/45/52/175254552.db2.gz SPKVKKMSZYURBP-JTQLQIEISA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000158083069 175254554 /nfs/dbraw/zinc/25/45/54/175254554.db2.gz SPKVKKMSZYURBP-JTQLQIEISA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000371418706 175258353 /nfs/dbraw/zinc/25/83/53/175258353.db2.gz FGYGQUZOABCEHR-CYBMUJFWSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000371418706 175258354 /nfs/dbraw/zinc/25/83/54/175258354.db2.gz FGYGQUZOABCEHR-CYBMUJFWSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc(C[NH2+]C2(C)CCCC2)c1[O-] ZINC000042176459 175263560 /nfs/dbraw/zinc/26/35/60/175263560.db2.gz MWDWMZXCNCZTEA-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN COc1cccc(C[NH2+]CCC2=CCCC2)c1[O-] ZINC000120173565 175263737 /nfs/dbraw/zinc/26/37/37/175263737.db2.gz QVYZYNSBRXWWIK-UHFFFAOYSA-N 0 3 247.338 2.991 20 10 BFCDHN C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000070826313 176150534 /nfs/dbraw/zinc/15/05/34/176150534.db2.gz BKOJQZZHIKPAEQ-ZYHUDNBSSA-N 0 3 205.301 2.670 20 10 BFCDHN C[C@@H]1CCSCC[N@@H+]1Cc1ccccc1[O-] ZINC000191809975 176194036 /nfs/dbraw/zinc/19/40/36/176194036.db2.gz LTRRPPVNTBCNDW-LLVKDONJSA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@@H]1CCSCC[N@H+]1Cc1ccccc1[O-] ZINC000191809975 176194037 /nfs/dbraw/zinc/19/40/37/176194037.db2.gz LTRRPPVNTBCNDW-LLVKDONJSA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000226565399 176301079 /nfs/dbraw/zinc/30/10/79/176301079.db2.gz QEFGYKXZXRTJBJ-AOOOYVTPSA-N 0 3 223.291 2.619 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000226565399 176301081 /nfs/dbraw/zinc/30/10/81/176301081.db2.gz QEFGYKXZXRTJBJ-AOOOYVTPSA-N 0 3 223.291 2.619 20 10 BFCDHN C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2[O-])CCO1 ZINC000273087571 177323770 /nfs/dbraw/zinc/32/37/70/177323770.db2.gz RZKYRNRKPWPVKX-STQMWFEESA-N 0 3 249.354 2.687 20 10 BFCDHN CCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000076274252 490318584 /nfs/dbraw/zinc/31/85/84/490318584.db2.gz BMAQJRKACZKPBO-UHFFFAOYSA-N 0 3 243.734 2.944 20 10 BFCDHN COCC[C@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840835095 582668719 /nfs/dbraw/zinc/66/87/19/582668719.db2.gz GQQCHLDFPPPNHA-WCQYABFASA-N 0 3 249.354 2.642 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CC(CC2CC2)C1 ZINC000857066520 588885080 /nfs/dbraw/zinc/88/50/80/588885080.db2.gz MRMRTDISKFUMLA-UHFFFAOYSA-N 0 3 217.312 2.624 20 10 BFCDHN CN(C)c1ccc(CN2CC(CC3CC3)C2)cc1 ZINC000857066553 588885277 /nfs/dbraw/zinc/88/52/77/588885277.db2.gz NOEVUPDLILVYOL-UHFFFAOYSA-N 0 3 244.382 2.985 20 10 BFCDHN CCC(CC)[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894146610 583318245 /nfs/dbraw/zinc/31/82/45/583318245.db2.gz ZLUBPUYJPUTIIZ-UHFFFAOYSA-N 0 3 237.343 2.987 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2C)c1[O-] ZINC000894247376 583390275 /nfs/dbraw/zinc/39/02/75/583390275.db2.gz RDZQPQXALBMASQ-WCQYABFASA-N 0 3 249.354 2.987 20 10 BFCDHN CCC1(C[NH2+]Cc2cc(C)cc(OC)c2[O-])CC1 ZINC000894323391 583422231 /nfs/dbraw/zinc/42/22/31/583422231.db2.gz FSAPGDMHDIRWGJ-UHFFFAOYSA-N 0 3 249.354 2.989 20 10 BFCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894897288 583550364 /nfs/dbraw/zinc/55/03/64/583550364.db2.gz DADSYYDKMYOESR-NEPJUHHUSA-N 0 3 249.354 2.845 20 10 BFCDHN COc1ccc(CN[C@H](C)c2ccccc2O)o1 ZINC000895852160 583737019 /nfs/dbraw/zinc/73/70/19/583737019.db2.gz QDMHKLVJNJFNCA-SNVBAGLBSA-N 0 3 247.294 2.845 20 10 BFCDHN C/C=C/CNC/C=C\c1ccc(N(C)C)cc1 ZINC000858290180 588942387 /nfs/dbraw/zinc/94/23/87/588942387.db2.gz CRTVIFBHAHHVBD-DEQVHDEQSA-N 0 3 230.355 2.932 20 10 BFCDHN C/C=C\CNC/C=C\c1ccc(N(C)C)cc1 ZINC000858290182 588942483 /nfs/dbraw/zinc/94/24/83/588942483.db2.gz CRTVIFBHAHHVBD-RZSVFLSASA-N 0 3 230.355 2.932 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897953836 584064173 /nfs/dbraw/zinc/06/41/73/584064173.db2.gz UBWFGWBBGZSPBR-WCFLWFBJSA-N 0 3 217.312 2.670 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897953922 584064193 /nfs/dbraw/zinc/06/41/93/584064193.db2.gz VFXZHCSDEDIUTQ-FPMFFAJLSA-N 0 3 231.339 2.979 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000897955509 584065244 /nfs/dbraw/zinc/06/52/44/584065244.db2.gz VOVRAELLZUQPHM-DDTOSNHZSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897959463 584067640 /nfs/dbraw/zinc/06/76/40/584067640.db2.gz TYBDLHOYOAVSGM-MBNYWOFBSA-N 0 3 231.339 2.979 20 10 BFCDHN COc1cc(C)cc(CNC/C=C\Cl)c1O ZINC000898426616 584132151 /nfs/dbraw/zinc/13/21/51/584132151.db2.gz GWAZHRISJYBTNU-ARJAWSKDSA-N 0 3 241.718 2.551 20 10 BFCDHN Cc1ccc(C[NH2+]C/C=C\Cl)c([O-])c1 ZINC000898429086 584133810 /nfs/dbraw/zinc/13/38/10/584133810.db2.gz RCIMJFDKRSLWJR-DJWKRKHSSA-N 0 3 211.692 2.543 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C)cc1[O-] ZINC000858542787 588964389 /nfs/dbraw/zinc/96/43/89/588964389.db2.gz BUBMCDVQGUPIOZ-MBNYWOFBSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C2CC(CCO)C2)c([O-])c1 ZINC000903328679 584753493 /nfs/dbraw/zinc/75/34/93/584753493.db2.gz CYLJNBXSPCUKDQ-PNESKVBLSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C)c([O-])c1 ZINC000877025424 584888861 /nfs/dbraw/zinc/88/88/61/584888861.db2.gz KFVDYQMNFWTQOS-YPMHNXCESA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000877025423 584888879 /nfs/dbraw/zinc/88/88/79/584888879.db2.gz KFVDYQMNFWTQOS-WCQYABFASA-N 0 3 219.328 2.979 20 10 BFCDHN CSCC[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877056202 584889158 /nfs/dbraw/zinc/88/91/58/584889158.db2.gz PVAKIRXSAUGZFA-LLVKDONJSA-N 0 3 239.384 2.932 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000877119584 584890760 /nfs/dbraw/zinc/89/07/60/584890760.db2.gz IDUSEJBKDRDBGU-LBPRGKRZSA-N 0 3 249.354 2.748 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC12CCCC2 ZINC000758527300 584905809 /nfs/dbraw/zinc/90/58/09/584905809.db2.gz VQGKRETUELZBCE-CQSZACIVSA-N 0 3 247.338 2.823 20 10 BFCDHN Oc1ccccc1CN1CC(CC(F)(F)F)C1 ZINC000839137266 585094359 /nfs/dbraw/zinc/09/43/59/585094359.db2.gz BUUUMMKJQCCXAL-UHFFFAOYSA-N 0 3 245.244 2.776 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1C ZINC000839191668 585097454 /nfs/dbraw/zinc/09/74/54/585097454.db2.gz JFXDUPXXKOYRNH-STQMWFEESA-N 0 3 249.379 2.699 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1C ZINC000839191668 585097455 /nfs/dbraw/zinc/09/74/55/585097455.db2.gz JFXDUPXXKOYRNH-STQMWFEESA-N 0 3 249.379 2.699 20 10 BFCDHN C[N@H+](Cc1cc2c(cc1[O-])CCC2)C1CCC1 ZINC000742169897 585122404 /nfs/dbraw/zinc/12/24/04/585122404.db2.gz LGCUJQJEDNNDRZ-UHFFFAOYSA-N 0 3 231.339 2.865 20 10 BFCDHN C[N@@H+](Cc1cc2c(cc1[O-])CCC2)C1CCC1 ZINC000742169897 585122405 /nfs/dbraw/zinc/12/24/05/585122405.db2.gz LGCUJQJEDNNDRZ-UHFFFAOYSA-N 0 3 231.339 2.865 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000768138490 585532626 /nfs/dbraw/zinc/53/26/26/585532626.db2.gz XMONGHMVSRQOSG-RYUDHWBXSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000768138491 585532818 /nfs/dbraw/zinc/53/28/18/585532818.db2.gz XMONGHMVSRQOSG-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000768138491 585532819 /nfs/dbraw/zinc/53/28/19/585532819.db2.gz XMONGHMVSRQOSG-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)C(C)C ZINC000768270400 585534952 /nfs/dbraw/zinc/53/49/52/585534952.db2.gz ZQLVJKLOZQONFE-NSHDSACASA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)C(C)C ZINC000768270400 585534953 /nfs/dbraw/zinc/53/49/53/585534953.db2.gz ZQLVJKLOZQONFE-NSHDSACASA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c([O-])cc1C ZINC000768445809 585538826 /nfs/dbraw/zinc/53/88/26/585538826.db2.gz JNVGSEYUNPQQOI-PWSUYJOCSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c([O-])cc1C ZINC000768445809 585538827 /nfs/dbraw/zinc/53/88/27/585538827.db2.gz JNVGSEYUNPQQOI-PWSUYJOCSA-N 0 3 249.354 2.940 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C[C@@H]1CCOC1 ZINC000768522051 585539469 /nfs/dbraw/zinc/53/94/69/585539469.db2.gz XDTUIEZUFNOQPN-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C[C@@H]1CCOC1 ZINC000768522051 585539470 /nfs/dbraw/zinc/53/94/70/585539470.db2.gz XDTUIEZUFNOQPN-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769103079 585549229 /nfs/dbraw/zinc/54/92/29/585549229.db2.gz QHHKWURNUZRTBK-LLVKDONJSA-N 0 3 236.334 2.734 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)C2)c([O-])c1 ZINC000769102579 585549265 /nfs/dbraw/zinc/54/92/65/585549265.db2.gz OLZQYEWXZDUZLW-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)C2)c([O-])c1 ZINC000769102579 585549266 /nfs/dbraw/zinc/54/92/66/585549266.db2.gz OLZQYEWXZDUZLW-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000769448459 585556879 /nfs/dbraw/zinc/55/68/79/585556879.db2.gz RKXWUMRLTNIIFT-VXGBXAGGSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769514409 585558491 /nfs/dbraw/zinc/55/84/91/585558491.db2.gz KRONBMUXAMESPF-GFCCVEGCSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769514409 585558492 /nfs/dbraw/zinc/55/84/92/585558492.db2.gz KRONBMUXAMESPF-GFCCVEGCSA-N 0 3 247.338 2.633 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])C1CCC1 ZINC000770510715 585575326 /nfs/dbraw/zinc/57/53/26/585575326.db2.gz QGRIDAFDICNMRS-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])C1CCC1 ZINC000770510715 585575327 /nfs/dbraw/zinc/57/53/27/585575327.db2.gz QGRIDAFDICNMRS-UHFFFAOYSA-N 0 3 205.301 2.767 20 10 BFCDHN Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000770751506 585581200 /nfs/dbraw/zinc/58/12/00/585581200.db2.gz XEZAHBJGFUDNCH-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000774830840 585667000 /nfs/dbraw/zinc/66/70/00/585667000.db2.gz DQMLOGOBZLFQNN-SWLSCSKDSA-N 0 3 249.354 2.605 20 10 BFCDHN CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccccc1[O-] ZINC000775523825 585678910 /nfs/dbraw/zinc/67/89/10/585678910.db2.gz NYBSXFSOFCBRDT-OCCSQVGLSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]2C(C)C)c1 ZINC000775765368 585684110 /nfs/dbraw/zinc/68/41/10/585684110.db2.gz NFULEQOISDTNKG-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]2C(C)C)c1 ZINC000775765368 585684111 /nfs/dbraw/zinc/68/41/11/585684111.db2.gz NFULEQOISDTNKG-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN C[N@H+](CCOCC1CCC1)Cc1ccccc1[O-] ZINC000779029334 585744388 /nfs/dbraw/zinc/74/43/88/585744388.db2.gz PDWXPMXQDJMMEG-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN C[N@@H+](CCOCC1CCC1)Cc1ccccc1[O-] ZINC000779029334 585744389 /nfs/dbraw/zinc/74/43/89/585744389.db2.gz PDWXPMXQDJMMEG-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000780575145 585781683 /nfs/dbraw/zinc/78/16/83/585781683.db2.gz AQCLCBGGRMJGGQ-QWRGUYRKSA-N 0 3 235.327 2.679 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC=CO2)cc1C ZINC000780570113 585781754 /nfs/dbraw/zinc/78/17/54/585781754.db2.gz JCCUCFBLUJXULT-CQSZACIVSA-N 0 3 247.338 2.791 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCOC2)cc1C ZINC000784665048 585865245 /nfs/dbraw/zinc/86/52/45/585865245.db2.gz SAQZZXGLVCVRKE-ZDUSSCGKSA-N 0 3 249.354 2.525 20 10 BFCDHN CC(C)([NH2+]Cc1ccccc1[O-])C1CCOCC1 ZINC000785600479 585876330 /nfs/dbraw/zinc/87/63/30/585876330.db2.gz BFTZPZQVCGSZFB-UHFFFAOYSA-N 0 3 249.354 2.687 20 10 BFCDHN CCOc1ccc(C[NH2+]CC=C(C)C)c([O-])c1 ZINC000790996257 585971737 /nfs/dbraw/zinc/97/17/37/585971737.db2.gz LFRJSAZFIHUTSK-UHFFFAOYSA-N 0 3 235.327 2.847 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793227733 586014729 /nfs/dbraw/zinc/01/47/29/586014729.db2.gz HBDPWSLUGSLMEL-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793227733 586014730 /nfs/dbraw/zinc/01/47/30/586014730.db2.gz HBDPWSLUGSLMEL-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1cccc(C[N@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000793228107 586014838 /nfs/dbraw/zinc/01/48/38/586014838.db2.gz JSAFFBYYYYHOOK-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000793228107 586014839 /nfs/dbraw/zinc/01/48/39/586014839.db2.gz JSAFFBYYYYHOOK-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN COCCC1([NH2+]Cc2cc(C)ccc2[O-])CCC1 ZINC000793330283 586017074 /nfs/dbraw/zinc/01/70/74/586017074.db2.gz VLZVNFOHZGPXGG-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CC[C@@H]([NH2+]CCCOC)c1ccc(C)cc1[O-] ZINC000794795229 586049206 /nfs/dbraw/zinc/04/92/06/586049206.db2.gz OYGUBTPICGZSPP-CYBMUJFWSA-N 0 3 237.343 2.778 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1[O-] ZINC000797905649 586133988 /nfs/dbraw/zinc/13/39/88/586133988.db2.gz ZGUQRPVRCABTHU-QWHCGFSZSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1[O-] ZINC000797905647 586134007 /nfs/dbraw/zinc/13/40/07/586134007.db2.gz ZGUQRPVRCABTHU-CHWSQXEVSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1[O-] ZINC000797905648 586134074 /nfs/dbraw/zinc/13/40/74/586134074.db2.gz ZGUQRPVRCABTHU-OLZOCXBDSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H]1C ZINC000798506084 586144356 /nfs/dbraw/zinc/14/43/56/586144356.db2.gz SAVHRRLQOXMMGT-NEPJUHHUSA-N 0 3 249.354 2.927 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)c([O-])c1 ZINC000809658413 586511094 /nfs/dbraw/zinc/51/10/94/586511094.db2.gz NAKSFDZBRYKOSW-UONOGXRCSA-N 0 3 249.354 2.925 20 10 BFCDHN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000809740163 586515770 /nfs/dbraw/zinc/51/57/70/586515770.db2.gz NHUORWMFACMQDJ-PWSUYJOCSA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1ccc(C[NH+]2CC(C3CC3)C2)c([O-])c1 ZINC000812774934 586584163 /nfs/dbraw/zinc/58/41/63/586584163.db2.gz ANCVQHJBDVXJLY-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000816550303 586739837 /nfs/dbraw/zinc/73/98/37/586739837.db2.gz NTAMTQAKWMKTGR-CYBMUJFWSA-N 0 3 247.338 2.989 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000816550304 586739887 /nfs/dbraw/zinc/73/98/87/586739887.db2.gz NTAMTQAKWMKTGR-ZDUSSCGKSA-N 0 3 247.338 2.989 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648401 586750470 /nfs/dbraw/zinc/75/04/70/586750470.db2.gz JYXMZYMWKMFFSD-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648401 586750472 /nfs/dbraw/zinc/75/04/72/586750472.db2.gz JYXMZYMWKMFFSD-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN C[C@H](NCCc1ccc(N)cc1)c1ccco1 ZINC000817956160 586850193 /nfs/dbraw/zinc/85/01/93/586850193.db2.gz SGZYODXWSQOODY-NSHDSACASA-N 0 3 230.311 2.755 20 10 BFCDHN C[C@H](CN)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817966739 586855305 /nfs/dbraw/zinc/85/53/05/586855305.db2.gz UVEFKXOOGTUENY-GHMZBOCLSA-N 0 3 244.338 2.543 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000824651392 587280672 /nfs/dbraw/zinc/28/06/72/587280672.db2.gz ZWCNKVRJWYLSRQ-CYBMUJFWSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000824651392 587280674 /nfs/dbraw/zinc/28/06/74/587280674.db2.gz ZWCNKVRJWYLSRQ-CYBMUJFWSA-N 0 3 247.338 2.775 20 10 BFCDHN CCOc1ccc(C[NH2+][C@H](C)C2CC2)c([O-])c1 ZINC000824683632 587283005 /nfs/dbraw/zinc/28/30/05/587283005.db2.gz SRKJNVNIPIZBAG-SNVBAGLBSA-N 0 3 235.327 2.679 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000824914357 587293461 /nfs/dbraw/zinc/29/34/61/587293461.db2.gz QMTVQDZEXMJYCQ-ZDUSSCGKSA-N 0 3 249.379 2.720 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000824914357 587293463 /nfs/dbraw/zinc/29/34/63/587293463.db2.gz QMTVQDZEXMJYCQ-ZDUSSCGKSA-N 0 3 249.379 2.720 20 10 BFCDHN CCC1(C[NH2+]Cc2cc(C)c(C)cc2[O-])COC1 ZINC000825072252 587302680 /nfs/dbraw/zinc/30/26/80/587302680.db2.gz FVGXDXDHIBUUMV-UHFFFAOYSA-N 0 3 249.354 2.525 20 10 BFCDHN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000825284655 587313011 /nfs/dbraw/zinc/31/30/11/587313011.db2.gz WRMYHNWDXMFIED-UKRRQHHQSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cc([O-])c(C[NH+]2CC(C)C2)cc1Cl ZINC000825743936 587336634 /nfs/dbraw/zinc/33/66/34/587336634.db2.gz BWZNZTRHRDPDHH-UHFFFAOYSA-N 0 3 225.719 2.806 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC1(C)C ZINC000827942056 587411819 /nfs/dbraw/zinc/41/18/19/587411819.db2.gz MDBURXAGNSDHQJ-GFCCVEGCSA-N 0 3 219.328 2.870 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC1(C)C ZINC000827942056 587411820 /nfs/dbraw/zinc/41/18/20/587411820.db2.gz MDBURXAGNSDHQJ-GFCCVEGCSA-N 0 3 219.328 2.870 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1C ZINC000835088301 587781908 /nfs/dbraw/zinc/78/19/08/587781908.db2.gz RHLHQTYJLMRECL-JSGCOSHPSA-N 0 3 249.354 2.666 20 10 BFCDHN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000840764718 587920238 /nfs/dbraw/zinc/92/02/38/587920238.db2.gz YQWNIVSMLSSJIF-UPJWGTAASA-N 0 3 249.354 2.919 20 10 BFCDHN CCOc1ccc(C[NH2+][C@H]2CC2(C)C)c([O-])c1 ZINC000840956367 587931617 /nfs/dbraw/zinc/93/16/17/587931617.db2.gz RMGYTGDGJUTKJR-ZDUSSCGKSA-N 0 3 235.327 2.679 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@H]2CC2(F)F)c1 ZINC000840968712 587932645 /nfs/dbraw/zinc/93/26/45/587932645.db2.gz UGRXOQOLDYARSY-GXSJLCMTSA-N 0 3 241.281 2.834 20 10 BFCDHN COC1([C@H](C)[NH2+]Cc2cccc(C)c2[O-])CCC1 ZINC000840970900 587932818 /nfs/dbraw/zinc/93/28/18/587932818.db2.gz ZXCCHSLCTCRHHU-LBPRGKRZSA-N 0 3 249.354 2.748 20 10 BFCDHN CO[C@H](C[NH2+]Cc1ccccc1[O-])CC(C)C ZINC000841887948 587981276 /nfs/dbraw/zinc/98/12/76/587981276.db2.gz ASZMMVCRZMXAHQ-ZDUSSCGKSA-N 0 3 237.343 2.543 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000841891290 587982264 /nfs/dbraw/zinc/98/22/64/587982264.db2.gz XRYJCKRLWZMUTK-QJPTWQEYSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000841891290 587982266 /nfs/dbraw/zinc/98/22/66/587982266.db2.gz XRYJCKRLWZMUTK-QJPTWQEYSA-N 0 3 249.354 2.877 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000842928956 588071809 /nfs/dbraw/zinc/07/18/09/588071809.db2.gz LCUROSAFESZGJK-AVGNSLFASA-N 0 3 249.354 2.837 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000842930118 588071836 /nfs/dbraw/zinc/07/18/36/588071836.db2.gz VDELEOGAAPKUGB-DYEKYZERSA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000842930117 588072013 /nfs/dbraw/zinc/07/20/13/588072013.db2.gz VDELEOGAAPKUGB-BZPMIXESSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000842928907 588072071 /nfs/dbraw/zinc/07/20/71/588072071.db2.gz LCUROSAFESZGJK-AGIUHOORSA-N 0 3 249.354 2.837 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cc[nH]c2)c1 ZINC000845972438 588252316 /nfs/dbraw/zinc/25/23/16/588252316.db2.gz OSRHLZBISJTMJH-JTQLQIEISA-N 0 3 246.310 2.580 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@@H](C)C2CC2)c1[O-] ZINC000846136208 588258554 /nfs/dbraw/zinc/25/85/54/588258554.db2.gz HIABURXZZLOPRP-UWVGGRQHSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]CCC2CC2)c1[O-] ZINC000846155388 588258801 /nfs/dbraw/zinc/25/88/01/588258801.db2.gz PZCMLLDBADSPAZ-JTQLQIEISA-N 0 3 235.327 2.852 20 10 BFCDHN CCc1cccc(CN(C)Cc2ccc[nH]2)c1O ZINC000848890055 588418061 /nfs/dbraw/zinc/41/80/61/588418061.db2.gz QOBAIXZUPLKAQY-UHFFFAOYSA-N 0 3 244.338 2.915 20 10 BFCDHN CC[C@H](C)CC[NH2+]Cc1c([O-])cccc1OC ZINC000850355064 588538899 /nfs/dbraw/zinc/53/88/99/588538899.db2.gz COZGWZKCSCMDLI-NSHDSACASA-N 0 3 237.343 2.927 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2C=CCC2)cc1C ZINC000850358836 588539255 /nfs/dbraw/zinc/53/92/55/588539255.db2.gz MEIVIYGVGJIOSY-ZDUSSCGKSA-N 0 3 217.312 2.817 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850393432 588543800 /nfs/dbraw/zinc/54/38/00/588543800.db2.gz SLPQXCGSSZPGPL-DABQJJPHSA-N 0 3 217.312 2.589 20 10 BFCDHN CCCN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862216679 589194633 /nfs/dbraw/zinc/19/46/33/589194633.db2.gz PRSDSPCNKZSNAY-UHFFFAOYSA-N 0 3 242.313 2.873 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000119644964 589321426 /nfs/dbraw/zinc/32/14/26/589321426.db2.gz CGWUOFACBLMTET-NSHDSACASA-N 0 3 219.328 2.979 20 10 BFCDHN COc1ccc(O)c([C@H](C)NCC(C)(C)F)c1 ZINC000866407710 589490683 /nfs/dbraw/zinc/49/06/83/589490683.db2.gz BMEUXNJOVSEXDO-VIFPVBQESA-N 0 3 241.306 2.800 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)F)c1 ZINC000866407710 589490684 /nfs/dbraw/zinc/49/06/84/589490684.db2.gz BMEUXNJOVSEXDO-VIFPVBQESA-N 0 3 241.306 2.800 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000866488889 589497008 /nfs/dbraw/zinc/49/70/08/589497008.db2.gz WVFQDZABPHZCFH-IJLUTSLNSA-N 0 3 249.379 2.863 20 10 BFCDHN C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000121994537 589546897 /nfs/dbraw/zinc/54/68/97/589546897.db2.gz IVYURVLRGWLSKL-PWSUYJOCSA-N 0 3 205.301 2.670 20 10 BFCDHN Cc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)c([O-])c1 ZINC000872263608 589902490 /nfs/dbraw/zinc/90/24/90/589902490.db2.gz IATSSOQEYDBMRS-CABCVRRESA-N 0 3 247.338 2.502 20 10 BFCDHN CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(C)c1O ZINC000124511815 590036872 /nfs/dbraw/zinc/03/68/72/590036872.db2.gz QSMVFYSMZZZXEY-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc(C[N@H+](C)CC2CCOCC2)c1[O-] ZINC000124598327 590061013 /nfs/dbraw/zinc/06/10/13/590061013.db2.gz OGWHBMCFVHKFNG-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc(C[N@@H+](C)CC2CCOCC2)c1[O-] ZINC000124598327 590061014 /nfs/dbraw/zinc/06/10/14/590061014.db2.gz OGWHBMCFVHKFNG-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCCC2CC2)c1 ZINC000124964946 590106790 /nfs/dbraw/zinc/10/67/90/590106790.db2.gz USQPIODBPLKIHP-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN CCO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512130 590205791 /nfs/dbraw/zinc/20/57/91/590205791.db2.gz GSCLZNAOSVOARC-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CCO[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512130 590205792 /nfs/dbraw/zinc/20/57/92/590205792.db2.gz GSCLZNAOSVOARC-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC(C)(C)C2)c([O-])c1 ZINC000876725049 590233272 /nfs/dbraw/zinc/23/32/72/590233272.db2.gz CVIKRDHHPCOLIG-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC(C)(C)C2)c([O-])c1 ZINC000876725049 590233273 /nfs/dbraw/zinc/23/32/73/590233273.db2.gz CVIKRDHHPCOLIG-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN COC[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876725507 590233695 /nfs/dbraw/zinc/23/36/95/590233695.db2.gz LTBVEMZRUYFMPE-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876725507 590233696 /nfs/dbraw/zinc/23/36/96/590233696.db2.gz LTBVEMZRUYFMPE-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(CN2CCOC(C)(C)[C@H]2C)c(O)c1 ZINC000876749908 590237314 /nfs/dbraw/zinc/23/73/14/590237314.db2.gz OPXKDPIFABQUMV-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000876760757 590238827 /nfs/dbraw/zinc/23/88/27/590238827.db2.gz XFUDUWNYXYTOFS-PWSUYJOCSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000876760757 590238828 /nfs/dbraw/zinc/23/88/28/590238828.db2.gz XFUDUWNYXYTOFS-PWSUYJOCSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000876799181 590242869 /nfs/dbraw/zinc/24/28/69/590242869.db2.gz AOSHBVUUBWXDFZ-NEPJUHHUSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000876799181 590242871 /nfs/dbraw/zinc/24/28/71/590242871.db2.gz AOSHBVUUBWXDFZ-NEPJUHHUSA-N 0 3 219.328 2.931 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876805608 590244572 /nfs/dbraw/zinc/24/45/72/590244572.db2.gz CPJJBAYHCITNRA-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876805608 590244573 /nfs/dbraw/zinc/24/45/73/590244573.db2.gz CPJJBAYHCITNRA-GFCCVEGCSA-N 0 3 219.328 2.933 20 10 BFCDHN COC(C)(C)C[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876808693 590245062 /nfs/dbraw/zinc/24/50/62/590245062.db2.gz MCBRXSOEHZMXNP-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COC(C)(C)C[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876808693 590245063 /nfs/dbraw/zinc/24/50/63/590245063.db2.gz MCBRXSOEHZMXNP-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C1CCCC1 ZINC000876886455 590253367 /nfs/dbraw/zinc/25/33/67/590253367.db2.gz VZGHDKZYAQWQMV-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN Cc1ccc(C[NH2+]CCCOCC2CC2)c([O-])c1 ZINC000876900608 590255533 /nfs/dbraw/zinc/25/55/33/590255533.db2.gz MVXMNEAHLZMPIX-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(CNCc2cccc(C)n2)c(O)c1 ZINC000876937376 590258912 /nfs/dbraw/zinc/25/89/12/590258912.db2.gz VFEFLQYKSJIELK-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CO[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1(C)C ZINC000877075412 590278615 /nfs/dbraw/zinc/27/86/15/590278615.db2.gz BIPZNWJMLOTWEY-KGLIPLIRSA-N 0 3 249.354 2.604 20 10 BFCDHN CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877075665 590278742 /nfs/dbraw/zinc/27/87/42/590278742.db2.gz DRIVYWDAXOUTJJ-ZIAGYGMSSA-N 0 3 249.354 2.604 20 10 BFCDHN CO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1(C)C ZINC000877075414 590278750 /nfs/dbraw/zinc/27/87/50/590278750.db2.gz BIPZNWJMLOTWEY-ZIAGYGMSSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C1CC(C)C1 ZINC000877080258 590279817 /nfs/dbraw/zinc/27/98/17/590279817.db2.gz OVVOABHEHXKGIC-UHFFFAOYSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[NH2+]CC2(C3CC3)CC2)c([O-])c1 ZINC000877113343 590287423 /nfs/dbraw/zinc/28/74/23/590287423.db2.gz IDEXFQGOLJZFDQ-UHFFFAOYSA-N 0 3 231.339 2.980 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000877120416 590288909 /nfs/dbraw/zinc/28/89/09/590288909.db2.gz RGYZJTSQTJRYBK-ZDUSSCGKSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cncc(C[NH2+]Cc2c(C)cccc2[O-])c1 ZINC000877123106 590288998 /nfs/dbraw/zinc/28/89/98/590288998.db2.gz MWHCDZJIZMQJMT-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN CC[C@H](CSC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877131103 590290466 /nfs/dbraw/zinc/29/04/66/590290466.db2.gz VBCHXRRNLQWISP-GFCCVEGCSA-N 0 3 239.384 2.932 20 10 BFCDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877132263 590290968 /nfs/dbraw/zinc/29/09/68/590290968.db2.gz YXSQMQJPKTXWBP-DZGCQCFKSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000877135249 590291155 /nfs/dbraw/zinc/29/11/55/590291155.db2.gz VSHFSZCWCHZHRR-CHWSQXEVSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000877135142 590291251 /nfs/dbraw/zinc/29/12/51/590291251.db2.gz QROPEEMCQRMUFG-STQMWFEESA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]C2(C)CCC2)c([O-])c1 ZINC000877162719 590294272 /nfs/dbraw/zinc/29/42/72/590294272.db2.gz AGWKIRRKURRXNB-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN Cc1ccc(CN2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC000877164657 590294997 /nfs/dbraw/zinc/29/49/97/590294997.db2.gz BZRHPDGVEDHARR-DGCLKSJQSA-N 0 3 237.318 2.881 20 10 BFCDHN CO[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])CC1 ZINC000877196755 590300032 /nfs/dbraw/zinc/30/00/32/590300032.db2.gz JIMJFWVEPALNAQ-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])CC1 ZINC000877196755 590300033 /nfs/dbraw/zinc/30/00/33/590300033.db2.gz JIMJFWVEPALNAQ-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccncc2)c(O)c1 ZINC000877318317 590314116 /nfs/dbraw/zinc/31/41/16/590314116.db2.gz WQZHGOAKQAGKKN-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c([O-])c1 ZINC000877439811 590327995 /nfs/dbraw/zinc/32/79/95/590327995.db2.gz UYMOPVUPVYALFA-ZDUSSCGKSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000877459986 590331362 /nfs/dbraw/zinc/33/13/62/590331362.db2.gz QFBCUFKMBVDIRI-ZYHUDNBSSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000877486373 590338543 /nfs/dbraw/zinc/33/85/43/590338543.db2.gz INCWXXIDERRQDB-QWRGUYRKSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCSC2)c([O-])c1 ZINC000877490155 590339624 /nfs/dbraw/zinc/33/96/24/590339624.db2.gz TYKIETACDWSUBS-LLVKDONJSA-N 0 3 237.368 2.543 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)c([O-])c1 ZINC000877519376 590345522 /nfs/dbraw/zinc/34/55/22/590345522.db2.gz YBAWTWAAQWUSIE-CMPLNLGQSA-N 0 3 237.368 2.542 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CC[C@H]2C)c([O-])c1 ZINC000877524497 590346581 /nfs/dbraw/zinc/34/65/81/590346581.db2.gz XPCTYIQWSKKIMO-PWSUYJOCSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H](C)F ZINC000877552723 590355182 /nfs/dbraw/zinc/35/51/82/590355182.db2.gz WJAJJFSPHJEHIF-JTQLQIEISA-N 0 3 211.280 2.538 20 10 BFCDHN CCC1([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877559995 590359084 /nfs/dbraw/zinc/35/90/84/590359084.db2.gz CISRAOTYKZLUFY-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877565287 590360726 /nfs/dbraw/zinc/36/07/26/590360726.db2.gz WTQKQCSBATWRQP-NEPJUHHUSA-N 0 3 219.328 2.836 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877565849 590361229 /nfs/dbraw/zinc/36/12/29/590361229.db2.gz RZCODHYVKLFCET-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877565849 590361231 /nfs/dbraw/zinc/36/12/31/590361231.db2.gz RZCODHYVKLFCET-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877596771 590370327 /nfs/dbraw/zinc/37/03/27/590370327.db2.gz XSCCZFQWQYZXAT-KBPBESRZSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877596662 590370575 /nfs/dbraw/zinc/37/05/75/590370575.db2.gz VVLDFRKMEQIEGM-CHWSQXEVSA-N 0 3 249.354 2.748 20 10 BFCDHN CSC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000877663251 590387703 /nfs/dbraw/zinc/38/77/03/590387703.db2.gz LZZMHUWVFVAEQM-UHFFFAOYSA-N 0 3 237.368 2.720 20 10 BFCDHN CCC[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702899 590396107 /nfs/dbraw/zinc/39/61/07/590396107.db2.gz JHDPVRZFTJWJNN-LBPRGKRZSA-N 0 3 235.327 2.523 20 10 BFCDHN CCC[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877702899 590396110 /nfs/dbraw/zinc/39/61/10/590396110.db2.gz JHDPVRZFTJWJNN-LBPRGKRZSA-N 0 3 235.327 2.523 20 10 BFCDHN C[C@@]1(C[N@@H+]2Cc3cccc([O-])c3C2)CCCS1 ZINC000877702945 590396542 /nfs/dbraw/zinc/39/65/42/590396542.db2.gz LGXYSRQWGCPAKQ-AWEZNQCLSA-N 0 3 249.379 2.994 20 10 BFCDHN C[C@@]1(C[N@H+]2Cc3cccc([O-])c3C2)CCCS1 ZINC000877702945 590396544 /nfs/dbraw/zinc/39/65/44/590396544.db2.gz LGXYSRQWGCPAKQ-AWEZNQCLSA-N 0 3 249.379 2.994 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c([O-])c1 ZINC000877703366 590396706 /nfs/dbraw/zinc/39/67/06/590396706.db2.gz DYZOATPVZLKOTN-NXEZZACHSA-N 0 3 245.244 2.741 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CC(C)(C)C1 ZINC000877717361 590399614 /nfs/dbraw/zinc/39/96/14/590399614.db2.gz JSUNZGCPTGIGJI-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755755 590417741 /nfs/dbraw/zinc/41/77/41/590417741.db2.gz LWMPQSAOOWCXOZ-VXGBXAGGSA-N 0 3 237.343 2.856 20 10 BFCDHN CCOC1CC(C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000877758230 590418384 /nfs/dbraw/zinc/41/83/84/590418384.db2.gz OJWHRZARTHRQPT-HIFPTAJRSA-N 0 3 249.354 2.858 20 10 BFCDHN CS[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758239 590418499 /nfs/dbraw/zinc/41/84/99/590418499.db2.gz ONOGOZSJBCOHLR-NDMJEZRESA-N 0 3 237.368 2.937 20 10 BFCDHN CC[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000132434322 591707757 /nfs/dbraw/zinc/70/77/57/591707757.db2.gz RKXYUMZBBCGTAG-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000132434322 591707759 /nfs/dbraw/zinc/70/77/59/591707759.db2.gz RKXYUMZBBCGTAG-GFCCVEGCSA-N 0 3 235.327 2.775 20 10 BFCDHN CCN(Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000133304698 591785698 /nfs/dbraw/zinc/78/56/98/591785698.db2.gz CMJUFJCJFBEJBS-UHFFFAOYSA-N 0 3 236.334 2.876 20 10 BFCDHN Oc1ccccc1CN1Cc2ccccc2C1 ZINC000133777162 591855991 /nfs/dbraw/zinc/85/59/91/591855991.db2.gz ZEGYVUNCSRYWQP-UHFFFAOYSA-N 0 3 225.291 2.908 20 10 BFCDHN CCOC1CC([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000219284916 592222113 /nfs/dbraw/zinc/22/21/13/592222113.db2.gz GTMSGGOYZGULPL-VOMCLLRMSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COCC2(C)C)c([O-])c1 ZINC000313022068 634439142 /nfs/dbraw/zinc/43/91/42/634439142.db2.gz FYMMYCIHTLTLGP-BXUZGUMPSA-N 0 3 249.354 2.776 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313039496 634440988 /nfs/dbraw/zinc/44/09/88/634440988.db2.gz QGUUUPZAKDXQOT-TZMCWYRMSA-N 0 3 249.354 2.858 20 10 BFCDHN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228793108 635465671 /nfs/dbraw/zinc/46/56/71/635465671.db2.gz LFBVPLSBHXFHHE-SMDDNHRTSA-N 0 3 237.343 2.594 20 10 BFCDHN CCSCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000308793675 631648875 /nfs/dbraw/zinc/64/88/75/631648875.db2.gz IFXJLSWFOPIIBH-SNVBAGLBSA-N 0 3 225.357 2.796 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000251302700 635703413 /nfs/dbraw/zinc/70/34/13/635703413.db2.gz UDRAXLIBXWLUOX-FPMFFAJLSA-N 0 3 249.354 2.594 20 10 BFCDHN CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000310582594 632760898 /nfs/dbraw/zinc/76/08/98/632760898.db2.gz RSLNUFPGIIPAGV-UWVGGRQHSA-N 0 3 241.306 2.607 20 10 BFCDHN CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000309311526 632925406 /nfs/dbraw/zinc/92/54/06/632925406.db2.gz CBEJTXKULZVUKU-OLZOCXBDSA-N 0 3 219.328 2.916 20 10 BFCDHN C[C@H]([NH2+]CCC1CCOCC1)c1ccccc1[O-] ZINC000310739238 632930827 /nfs/dbraw/zinc/93/08/27/632930827.db2.gz QKPULTOPUDTKCQ-LBPRGKRZSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000229574554 632978881 /nfs/dbraw/zinc/97/88/81/632978881.db2.gz SIUGVDLFHRZYID-TZMCWYRMSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1[O-] ZINC000309579149 633204575 /nfs/dbraw/zinc/20/45/75/633204575.db2.gz PVXXIYGJWZOBRI-JBLDHEPKSA-N 0 3 237.368 2.794 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC1CC1)CC2 ZINC000296708575 634214833 /nfs/dbraw/zinc/21/48/33/634214833.db2.gz IDBOVNGOVCELEN-LBPRGKRZSA-N 0 3 217.312 2.769 20 10 BFCDHN CC[C@H](C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000054469256 636720874 /nfs/dbraw/zinc/72/08/74/636720874.db2.gz WPNVJNFBWQWESB-JTQLQIEISA-N 0 3 223.316 2.537 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCc1ccsc1 ZINC000042598781 637301650 /nfs/dbraw/zinc/30/16/50/637301650.db2.gz SRKXSPQVROFUCZ-UHFFFAOYSA-N 0 3 233.336 2.786 20 10 BFCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311139062 640411438 /nfs/dbraw/zinc/41/14/38/640411438.db2.gz FQNXOHCCAAYEDB-YRGRVCCFSA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1 ZINC000163882767 640422403 /nfs/dbraw/zinc/42/24/03/640422403.db2.gz URQAEOFUXDXDJA-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccoc1)c1ccccc1[O-] ZINC000163971574 640430428 /nfs/dbraw/zinc/43/04/28/640430428.db2.gz UNNHFKKGIQYMMJ-SNVBAGLBSA-N 0 3 217.268 2.836 20 10 BFCDHN Cc1cc(C)c(O)c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000164513922 640489595 /nfs/dbraw/zinc/48/95/95/640489595.db2.gz AUSHWDOJRVJUBK-QWHCGFSZSA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccnc1 ZINC000226583582 640778553 /nfs/dbraw/zinc/77/85/53/640778553.db2.gz LEJCFIPOSFXSDF-SNVBAGLBSA-N 0 3 246.285 2.777 20 10 BFCDHN CC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168795535 640827581 /nfs/dbraw/zinc/82/75/81/640827581.db2.gz WHGJFPDGIKGIQU-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCC[C@@H](C)O)c([O-])c1 ZINC000228034798 640857111 /nfs/dbraw/zinc/85/71/11/640857111.db2.gz VTCDVRPPSUXWHN-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN C[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000230657465 641082220 /nfs/dbraw/zinc/08/22/20/641082220.db2.gz YKBXOZBFZYFLFP-RYUDHWBXSA-N 0 3 219.328 2.918 20 10 BFCDHN Cc1cc(O)c(CN2C[C@@H](C)OC[C@@H]2C)cc1C ZINC000045723092 641615275 /nfs/dbraw/zinc/61/52/75/641615275.db2.gz MLISERKPYUDFGN-QWHCGFSZSA-N 0 3 249.354 2.618 20 10 BFCDHN CSCC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000076772067 641826143 /nfs/dbraw/zinc/82/61/43/641826143.db2.gz WAWWNGSTWRJGDM-SNVBAGLBSA-N 0 3 225.357 2.623 20 10 BFCDHN Cc1nc(C)c(C[NH2+]Cc2ccccc2[O-])s1 ZINC000076868332 641830811 /nfs/dbraw/zinc/83/08/11/641830811.db2.gz KPDPFNMTDHSHPO-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccccc1[O-] ZINC000306097518 642722374 /nfs/dbraw/zinc/72/23/74/642722374.db2.gz NJOTUXYCQOQITI-AVGNSLFASA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1noc(C)c1[C@H](C)NCc1ccccc1O ZINC000073007424 643349181 /nfs/dbraw/zinc/34/91/81/643349181.db2.gz PKVINPAFPRNXJU-VIFPVBQESA-N 0 3 246.310 2.848 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCCF)c([O-])c1 ZINC000186125819 643450085 /nfs/dbraw/zinc/45/00/85/643450085.db2.gz BDUZYLFUXWGKCE-JTQLQIEISA-N 0 3 211.280 2.711 20 10 BFCDHN COC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(C)C ZINC000086682473 644163831 /nfs/dbraw/zinc/16/38/31/644163831.db2.gz AZUSQQPJWSJVSE-YPMHNXCESA-N 0 3 237.343 2.714 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923028073 644235732 /nfs/dbraw/zinc/23/57/32/644235732.db2.gz SOEYKPBZHPLRQS-CQSZACIVSA-N 0 3 247.338 2.584 20 10 BFCDHN CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000087012713 644457259 /nfs/dbraw/zinc/45/72/59/644457259.db2.gz XQXQRFWYWVUNFG-BXUZGUMPSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1cc(C)c(O)c(CN2CCO[C@@H](C)[C@H]2C)c1 ZINC000246049424 644559809 /nfs/dbraw/zinc/55/98/09/644559809.db2.gz AUSHWDOJRVJUBK-OLZOCXBDSA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@@H]([NH2+]Cc1cccnc1)c1cc(F)ccc1[O-] ZINC000094616922 644720209 /nfs/dbraw/zinc/72/02/09/644720209.db2.gz FDVYNBCCKFGGKP-SNVBAGLBSA-N 0 3 246.285 2.777 20 10 BFCDHN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783519488 644756915 /nfs/dbraw/zinc/75/69/15/644756915.db2.gz LRWKRPJDOHIFBZ-JHJVBQTASA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C)cc1[O-] ZINC000927149285 645571859 /nfs/dbraw/zinc/57/18/59/645571859.db2.gz XZJMEWCVSNXQGE-OBJOEFQTSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000877628219 645804342 /nfs/dbraw/zinc/80/43/42/645804342.db2.gz FXUUFTOMZYUTRY-LBPRGKRZSA-N 0 3 247.338 2.502 20 10 BFCDHN CCC[N@H+](CCOC1CC1)Cc1ccccc1[O-] ZINC000929753665 646286630 /nfs/dbraw/zinc/28/66/30/646286630.db2.gz UHQSCJZKBMUAJK-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN CCC[N@@H+](CCOC1CC1)Cc1ccccc1[O-] ZINC000929753665 646286633 /nfs/dbraw/zinc/28/66/33/646286633.db2.gz UHQSCJZKBMUAJK-UHFFFAOYSA-N 0 3 249.354 2.783 20 10 BFCDHN CC[C@@H]1C[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000929976264 646381721 /nfs/dbraw/zinc/38/17/21/646381721.db2.gz MRINKWHLXGYBPD-YPMHNXCESA-N 0 3 219.328 2.870 20 10 BFCDHN CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000929976264 646381725 /nfs/dbraw/zinc/38/17/25/646381725.db2.gz MRINKWHLXGYBPD-YPMHNXCESA-N 0 3 219.328 2.870 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CCCS1 ZINC000715593739 712527884 /nfs/dbraw/zinc/52/78/84/712527884.db2.gz NVQUXVLEZDMBQC-LBPRGKRZSA-N 0 3 237.368 2.768 20 10 BFCDHN COCC(C)(C)CC[NH2+]Cc1ccccc1[O-] ZINC000718655810 712776849 /nfs/dbraw/zinc/77/68/49/712776849.db2.gz ZICIXIDGHZSMDS-UHFFFAOYSA-N 0 3 237.343 2.545 20 10 BFCDHN C[C@H]([NH2+]C1(C2CC2)CC1)c1ccccc1[O-] ZINC000381292370 710617187 /nfs/dbraw/zinc/61/71/87/710617187.db2.gz DTGGIBWYULNIIY-JTQLQIEISA-N 0 3 217.312 2.985 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000381547070 710655056 /nfs/dbraw/zinc/65/50/56/710655056.db2.gz KWJZERCTJZORLP-STQMWFEESA-N 0 3 217.312 2.670 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[O-] ZINC000384585773 710921702 /nfs/dbraw/zinc/92/17/02/710921702.db2.gz LLXOGXDFCWNGNM-MHDGFBEUSA-N 0 3 249.354 2.999 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000383943762 710985941 /nfs/dbraw/zinc/98/59/41/710985941.db2.gz FLEPMNGSNIPHBG-JTQLQIEISA-N 0 3 245.244 2.809 20 10 BFCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000387973951 711050546 /nfs/dbraw/zinc/05/05/46/711050546.db2.gz GTSPYRDWFHDPKV-ZJUUUORDSA-N 0 3 223.291 2.667 20 10 BFCDHN CCCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000389403086 711078110 /nfs/dbraw/zinc/07/81/10/711078110.db2.gz QDMQCKCGJFICRO-CHWSQXEVSA-N 0 3 248.370 2.527 20 10 BFCDHN CC[C@@H]([NH2+]CCC1(CO)CC1)c1ccccc1[O-] ZINC000395942236 711217226 /nfs/dbraw/zinc/21/72/26/711217226.db2.gz PNRRMCKRDMQKFN-CYBMUJFWSA-N 0 3 249.354 2.596 20 10 BFCDHN CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CO1 ZINC000396531687 711222965 /nfs/dbraw/zinc/22/29/65/711222965.db2.gz KYCQWDILGZLLIF-RYUDHWBXSA-N 0 3 247.338 2.537 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c([O-])c1 ZINC000396568622 711354715 /nfs/dbraw/zinc/35/47/15/711354715.db2.gz YTVGTTKMNDXMDI-NEPJUHHUSA-N 0 3 249.354 2.919 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1[O-] ZINC000398018087 711399680 /nfs/dbraw/zinc/39/96/80/711399680.db2.gz ARPGIPQBGGCPJO-IJLUTSLNSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)O1 ZINC000398237514 711405299 /nfs/dbraw/zinc/40/52/99/711405299.db2.gz XDUCBQMLBHQMGE-RAIGVLPGSA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H](CC)O1 ZINC000398765573 711414624 /nfs/dbraw/zinc/41/46/24/711414624.db2.gz GOTWZQIEYNPXSN-OKILXGFUSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H](CC)O1 ZINC000398765573 711414625 /nfs/dbraw/zinc/41/46/25/711414625.db2.gz GOTWZQIEYNPXSN-OKILXGFUSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[O-] ZINC000397823253 711392556 /nfs/dbraw/zinc/39/25/56/711392556.db2.gz IBNKCDPJUQCARX-WISYIIOYSA-N 0 3 217.312 2.841 20 10 BFCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000724654108 711605767 /nfs/dbraw/zinc/60/57/67/711605767.db2.gz OBEMWBGRSHAQBM-QNWHQSFQSA-N 0 3 249.354 2.999 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CCO)CC2)c1 ZINC000157485492 711828212 /nfs/dbraw/zinc/82/82/12/711828212.db2.gz UTWZRBUCDLSWNX-LBPRGKRZSA-N 0 3 249.354 2.514 20 10 BFCDHN CCOC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000313474093 711855776 /nfs/dbraw/zinc/85/57/76/711855776.db2.gz VZQYDDXGZXXVGW-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CCOC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000313474093 711855781 /nfs/dbraw/zinc/85/57/81/711855781.db2.gz VZQYDDXGZXXVGW-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CC[C@H]([NH2+]CCC1CC(O)C1)c1ccccc1[O-] ZINC000702440183 712053764 /nfs/dbraw/zinc/05/37/64/712053764.db2.gz IPBJRVMMZZQYMO-YIZWMMSDSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1cccc(CN2CCOC(C)(C)[C@H]2C)c1O ZINC000707696723 712176762 /nfs/dbraw/zinc/17/67/62/712176762.db2.gz GDHBKHXRZYJLMA-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(O)c(CN2CCO[C@H](C(C)C)C2)c1 ZINC000709021713 712206268 /nfs/dbraw/zinc/20/62/68/712206268.db2.gz RYXLOULJYZMKKO-HNNXBMFYSA-N 0 3 249.354 2.557 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOC1CCC1)CC2 ZINC000709807606 712228199 /nfs/dbraw/zinc/22/81/99/712228199.db2.gz NSJIOLZNBFCJLM-ZDUSSCGKSA-N 0 3 247.338 2.538 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711474499 712304116 /nfs/dbraw/zinc/30/41/16/712304116.db2.gz FMKZNPTUXNPXMC-NSHDSACASA-N 0 3 223.291 2.574 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711474499 712304118 /nfs/dbraw/zinc/30/41/18/712304118.db2.gz FMKZNPTUXNPXMC-NSHDSACASA-N 0 3 223.291 2.574 20 10 BFCDHN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000714726719 712496780 /nfs/dbraw/zinc/49/67/80/712496780.db2.gz ZBVYVMKMCMKZTL-AVGNSLFASA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1[O-] ZINC000715369214 712521667 /nfs/dbraw/zinc/52/16/67/712521667.db2.gz IASINILKQVEVEL-CABZTGNLSA-N 0 3 203.285 2.595 20 10 BFCDHN CCC[C@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000716872045 712579667 /nfs/dbraw/zinc/57/96/67/712579667.db2.gz LKSPJTQDLZNBGY-OLZOCXBDSA-N 0 3 249.354 2.520 20 10 BFCDHN CC1(C)CO[C@@H](CC[NH2+]Cc2ccccc2[O-])C1 ZINC000717299499 712645713 /nfs/dbraw/zinc/64/57/13/712645713.db2.gz JOIRWJWAVRSZPQ-ZDUSSCGKSA-N 0 3 249.354 2.687 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCC2)c([O-])c1 ZINC000717617668 712662769 /nfs/dbraw/zinc/66/27/69/712662769.db2.gz YLGURAUVDZENKA-SMDDNHRTSA-N 0 3 249.354 2.512 20 10 BFCDHN COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000720137475 712827803 /nfs/dbraw/zinc/82/78/03/712827803.db2.gz GZPZKCUMHDHNSN-WDEREUQCSA-N 0 3 237.343 2.856 20 10 BFCDHN C[C@@H](F)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000380316498 712882887 /nfs/dbraw/zinc/88/28/87/712882887.db2.gz JAZJJUYPCAPHBS-ZJUUUORDSA-N 0 3 211.280 2.791 20 10 BFCDHN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000402174341 970770442 /nfs/dbraw/zinc/77/04/42/970770442.db2.gz XQKHCQAFSFRILS-QWHCGFSZSA-N 0 3 249.354 2.860 20 10 BFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1CCC1 ZINC000183254427 970789588 /nfs/dbraw/zinc/78/95/88/970789588.db2.gz ILMAPOUPFJNAAW-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1CCC1 ZINC000183254427 970789597 /nfs/dbraw/zinc/78/95/97/970789597.db2.gz ILMAPOUPFJNAAW-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccccc1[O-] ZINC000403888190 971085939 /nfs/dbraw/zinc/08/59/39/971085939.db2.gz VVDYMKKWDRFIKZ-KGLIPLIRSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccccc1[O-] ZINC000403888190 971085949 /nfs/dbraw/zinc/08/59/49/971085949.db2.gz VVDYMKKWDRFIKZ-KGLIPLIRSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCOC2CCC2)c([O-])c1 ZINC000690703749 957770502 /nfs/dbraw/zinc/77/05/02/957770502.db2.gz YTWQCGUPEAXZFT-GFCCVEGCSA-N 0 3 249.354 2.920 20 10 BFCDHN COCC[N@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC001140950023 960740960 /nfs/dbraw/zinc/74/09/60/960740960.db2.gz RADISDHRWQJLBO-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COCC[N@@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC001140950023 960740979 /nfs/dbraw/zinc/74/09/79/960740979.db2.gz RADISDHRWQJLBO-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN CCOC1CC([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000219284877 961140912 /nfs/dbraw/zinc/14/09/12/961140912.db2.gz GTMSGGOYZGULPL-UNXYVOJBSA-N 0 3 235.327 2.610 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698909536 965589633 /nfs/dbraw/zinc/58/96/33/965589633.db2.gz BXEWNYNYMDWACV-GWCFXTLKSA-N 0 3 235.302 2.667 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001203550535 966682156 /nfs/dbraw/zinc/68/21/56/966682156.db2.gz YEZRPVWLUQLBLJ-HNNXBMFYSA-N 0 3 247.338 2.537 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001203550535 966682159 /nfs/dbraw/zinc/68/21/59/966682159.db2.gz YEZRPVWLUQLBLJ-HNNXBMFYSA-N 0 3 247.338 2.537 20 10 BFCDHN COc1ccc(C[NH+]2CCC3(CC3)CC2)c([O-])c1 ZINC001203622215 966708162 /nfs/dbraw/zinc/70/81/62/966708162.db2.gz UOPZIIWLCYSWJJ-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1ccc(C[N@H+](C)C2CC(C)C2)c([O-])c1 ZINC001203620347 966709617 /nfs/dbraw/zinc/70/96/17/966709617.db2.gz AHSWPLSFPZISEN-UHFFFAOYSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc(C[N@@H+](C)C2CC(C)C2)c([O-])c1 ZINC001203620347 966709631 /nfs/dbraw/zinc/70/96/31/966709631.db2.gz AHSWPLSFPZISEN-UHFFFAOYSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc(C[N@@H+]2CCCCC23CC3)c([O-])c1 ZINC001203628490 966715635 /nfs/dbraw/zinc/71/56/35/966715635.db2.gz ATNHVVMAPADFHH-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN COc1ccc(C[N@H+]2CCCCC23CC3)c([O-])c1 ZINC001203628490 966715639 /nfs/dbraw/zinc/71/56/39/966715639.db2.gz ATNHVVMAPADFHH-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC12CCCC2 ZINC001204276123 966955831 /nfs/dbraw/zinc/95/58/31/966955831.db2.gz HOPCZLAVVLWGBD-UHFFFAOYSA-N 0 3 233.311 2.616 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC12CCCC2 ZINC001204276123 966955842 /nfs/dbraw/zinc/95/58/42/966955842.db2.gz HOPCZLAVVLWGBD-UHFFFAOYSA-N 0 3 233.311 2.616 20 10 BFCDHN COc1ccc(C[N@H+](C)C(C)(C)C)c([O-])c1 ZINC000381929209 969168045 /nfs/dbraw/zinc/16/80/45/969168045.db2.gz PGDJRTVWEXDMDB-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN COc1ccc(C[N@@H+](C)C(C)(C)C)c([O-])c1 ZINC000381929209 969168052 /nfs/dbraw/zinc/16/80/52/969168052.db2.gz PGDJRTVWEXDMDB-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150933 970453031 /nfs/dbraw/zinc/45/30/31/970453031.db2.gz PXDYXPPAPAXMON-DGCLKSJQSA-N 0 3 231.339 2.939 20 10 BFCDHN C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170150933 970453039 /nfs/dbraw/zinc/45/30/39/970453039.db2.gz PXDYXPPAPAXMON-DGCLKSJQSA-N 0 3 231.339 2.939 20 10 BFCDHN CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173269302 975140354 /nfs/dbraw/zinc/14/03/54/975140354.db2.gz VEZXRHSUUXEZIN-CMPLNLGQSA-N 0 3 235.327 2.766 20 10 BFCDHN Cc1c[nH+]ccc1Nc1cccc(Cl)c1[O-] ZINC001174539686 976829117 /nfs/dbraw/zinc/82/91/17/976829117.db2.gz PTYDTFLSRYZYDL-UHFFFAOYSA-N 0 3 234.686 2.915 20 10 BFCDHN Cc1cccc(CN2C[C@@H](F)C[C@H]2C)c1O ZINC001231590662 977643516 /nfs/dbraw/zinc/64/35/16/977643516.db2.gz DJSKIEDGFBGMLB-PWSUYJOCSA-N 0 3 223.291 2.633 20 10 BFCDHN Cc1cc(C)c(CN2CCC[C@@H](F)C2)c(O)c1 ZINC001231845987 977764499 /nfs/dbraw/zinc/76/44/99/977764499.db2.gz WXWNVIIUABICQE-GFCCVEGCSA-N 0 3 237.318 2.943 20 10 BFCDHN Cc1cc(C)c(CN2CC(C(F)F)C2)c(O)c1 ZINC001231848310 977766659 /nfs/dbraw/zinc/76/66/59/977766659.db2.gz FXMHSNVOTPIBBK-UHFFFAOYSA-N 0 3 241.281 2.706 20 10 BFCDHN CC(=O)[C@@H]1CCCN1Cc1c(C)cc(C)cc1O ZINC001231848445 977771527 /nfs/dbraw/zinc/77/15/27/977771527.db2.gz IBEDMFNAPVQLDT-AWEZNQCLSA-N 0 3 247.338 2.562 20 10 BFCDHN Cc1cc(C)nc(NCc2ccc(N)cc2)c1 ZINC000721828859 978046754 /nfs/dbraw/zinc/04/67/54/978046754.db2.gz PPLXEZQLRWYDNG-UHFFFAOYSA-N 0 3 227.311 2.893 20 10 BFCDHN COc1cc(C)c(C[NH2+]CCC2(C)CC2)c([O-])c1 ZINC001181418226 979079528 /nfs/dbraw/zinc/07/95/28/979079528.db2.gz KMTPYJLLTYGDNG-UHFFFAOYSA-N 0 3 249.354 2.989 20 10 BFCDHN CCc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001236783085 979726455 /nfs/dbraw/zinc/72/64/55/979726455.db2.gz HVNSFOVYJPPFJJ-MFKMUULPSA-N 0 3 237.318 2.744 20 10 BFCDHN CCc1ccc(C[NH+]2CC(C)(C)C2)c([O-])c1 ZINC001236783378 979734649 /nfs/dbraw/zinc/73/46/49/979734649.db2.gz KYIIDMVHTPICMT-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1ccc(C[N@@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC001236783590 979734913 /nfs/dbraw/zinc/73/49/13/979734913.db2.gz MPHRMDDRRQWNBN-LLVKDONJSA-N 0 3 219.328 2.796 20 10 BFCDHN CCc1ccc(C[N@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC001236783590 979734920 /nfs/dbraw/zinc/73/49/20/979734920.db2.gz MPHRMDDRRQWNBN-LLVKDONJSA-N 0 3 219.328 2.796 20 10 BFCDHN CC(C)c1ccc(C[NH+]2CCC2)c([O-])c1 ZINC001237047678 979807800 /nfs/dbraw/zinc/80/78/00/979807800.db2.gz NIGVRJCQAXRMNE-UHFFFAOYSA-N 0 3 205.301 2.721 20 10 BFCDHN CC(C)c1ccc(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001237049975 979811317 /nfs/dbraw/zinc/81/13/17/979811317.db2.gz VESMWRSKFCGQRV-UHFFFAOYSA-N 0 3 249.354 2.594 20 10 BFCDHN CC(C)c1ccc(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001237049975 979811322 /nfs/dbraw/zinc/81/13/22/979811322.db2.gz VESMWRSKFCGQRV-UHFFFAOYSA-N 0 3 249.354 2.594 20 10 BFCDHN CC(C)c1ccc(C[N@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001237049738 979811552 /nfs/dbraw/zinc/81/15/52/979811552.db2.gz SGGNBPXMACDFRL-AWEZNQCLSA-N 0 3 249.354 2.736 20 10 BFCDHN CC(C)c1ccc(C[N@@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001237049738 979811556 /nfs/dbraw/zinc/81/15/56/979811556.db2.gz SGGNBPXMACDFRL-AWEZNQCLSA-N 0 3 249.354 2.736 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(CF)C1 ZINC001237484821 979910188 /nfs/dbraw/zinc/91/01/88/979910188.db2.gz ICSAKLQDUPFCAY-CQSZACIVSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(CF)C1 ZINC001237484821 979910191 /nfs/dbraw/zinc/91/01/91/979910191.db2.gz ICSAKLQDUPFCAY-CQSZACIVSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc(O)c1CN1CCCC(=O)[C@H](C)C1 ZINC001237481188 979911571 /nfs/dbraw/zinc/91/15/71/979911571.db2.gz DJOMLDWCDACKME-GFCCVEGCSA-N 0 3 247.338 2.502 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CC2CC(C2)C1 ZINC001237492469 979913425 /nfs/dbraw/zinc/91/34/25/979913425.db2.gz QPUBTGRGPWGXHS-UHFFFAOYSA-N 0 3 217.312 2.542 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC001238068714 980136986 /nfs/dbraw/zinc/13/69/86/980136986.db2.gz VXKFYPWZSOPQLV-MFKMUULPSA-N 0 3 235.302 2.824 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC001238068714 980136991 /nfs/dbraw/zinc/13/69/91/980136991.db2.gz VXKFYPWZSOPQLV-MFKMUULPSA-N 0 3 235.302 2.824 20 10 BFCDHN CC[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001257442412 985019678 /nfs/dbraw/zinc/01/96/78/985019678.db2.gz BSTVVFBDZYHEEM-SNVBAGLBSA-N 0 3 205.301 2.549 20 10 BFCDHN CC[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001257442412 985019690 /nfs/dbraw/zinc/01/96/90/985019690.db2.gz BSTVVFBDZYHEEM-SNVBAGLBSA-N 0 3 205.301 2.549 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)CCCF)c([O-])c1 ZINC001474714168 987808344 /nfs/dbraw/zinc/80/83/44/987808344.db2.gz QHHXCDXRGZGRNT-UHFFFAOYSA-N 0 3 241.306 2.501 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)CCCF)c([O-])c1 ZINC001474714168 987808347 /nfs/dbraw/zinc/80/83/47/987808347.db2.gz QHHXCDXRGZGRNT-UHFFFAOYSA-N 0 3 241.306 2.501 20 10 BFCDHN C[C@]1(CF)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057593 991508389 /nfs/dbraw/zinc/50/83/89/991508389.db2.gz HIAGCEOHFBDUIJ-CYBMUJFWSA-N 0 3 241.281 2.713 20 10 BFCDHN C[C@]1(CF)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057593 991508401 /nfs/dbraw/zinc/50/84/01/991508401.db2.gz HIAGCEOHFBDUIJ-CYBMUJFWSA-N 0 3 241.281 2.713 20 10 BFCDHN CC[C@H]1COCCN1Cc1c(C)ccc(C)c1O ZINC001140182182 991557438 /nfs/dbraw/zinc/55/74/38/991557438.db2.gz JSNRDFBHDNULJT-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN CC(=O)[C@@H]1CCCN1Cc1c(C)ccc(C)c1O ZINC001140185493 991559060 /nfs/dbraw/zinc/55/90/60/991559060.db2.gz XHJYJRGULOMNGJ-AWEZNQCLSA-N 0 3 247.338 2.562 20 10 BFCDHN Cc1ccc(C[NH2+]C/C=C\C2CC2)c([O-])c1 ZINC001262010545 992594469 /nfs/dbraw/zinc/59/44/69/992594469.db2.gz JDIFOBNPNBONJA-IHWYPQMZSA-N 0 3 217.312 2.756 20 10 BFCDHN CC1(C)CN(Cc2ccc(N)cc2)C(C)(C)CO1 ZINC001576457799 993313212 /nfs/dbraw/zinc/31/32/12/993313212.db2.gz OIHZOJAFBSEWFA-UHFFFAOYSA-N 0 3 248.370 2.658 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCSCC1)CC2 ZINC000296763317 398190482 /nfs/dbraw/zinc/19/04/82/398190482.db2.gz KEUVTMOIZNEXEB-LBPRGKRZSA-N 0 3 249.379 2.865 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@@H](C)OC(C)(C)C2)c1 ZINC000133103121 398341302 /nfs/dbraw/zinc/34/13/02/398341302.db2.gz CSFMQRDBRIBUCH-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]([NH2+]CC1CC1)c1ccccc1[O-] ZINC000019884961 342961585 /nfs/dbraw/zinc/96/15/85/342961585.db2.gz AEEPMYXDCKQREQ-LBPRGKRZSA-N 0 3 205.301 2.843 20 10 BFCDHN c1csc(CNCc2ccc3c(c2)CCO3)c1 ZINC000037362842 343343815 /nfs/dbraw/zinc/34/38/15/343343815.db2.gz KSCNHCFBCQZIAJ-UHFFFAOYSA-N 0 3 245.347 2.973 20 10 BFCDHN CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000042553101 343443033 /nfs/dbraw/zinc/44/30/33/343443033.db2.gz CPYZGNZPJUHZOX-MNOVXSKESA-N 0 3 237.343 2.925 20 10 BFCDHN CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000042552010 343443330 /nfs/dbraw/zinc/44/33/30/343443330.db2.gz HDCBCXLJAVLQAF-MNOVXSKESA-N 0 3 237.343 2.925 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccccc1[O-] ZINC000296429159 136376045 /nfs/dbraw/zinc/37/60/45/136376045.db2.gz LTSDTFGOGKMPAT-WDEREUQCSA-N 0 3 237.343 2.592 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCOCC2)c1 ZINC000036319526 178803232 /nfs/dbraw/zinc/80/32/32/178803232.db2.gz YJYMUDTYDDHKDF-NSHDSACASA-N 0 3 235.327 2.530 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)O)c([O-])c1 ZINC000274756262 178839302 /nfs/dbraw/zinc/83/93/02/178839302.db2.gz CEYBCCGXFXMJDD-LLVKDONJSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C[C@H]1CCCO1 ZINC000132656144 345339270 /nfs/dbraw/zinc/33/92/70/345339270.db2.gz LQPLRTISLUMIJV-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C[C@H]1CCCO1 ZINC000132656144 345339272 /nfs/dbraw/zinc/33/92/72/345339272.db2.gz LQPLRTISLUMIJV-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C[C@@H]1CCCO1 ZINC000132655955 345339319 /nfs/dbraw/zinc/33/93/19/345339319.db2.gz LQPLRTISLUMIJV-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C[C@@H]1CCCO1 ZINC000132655955 345339320 /nfs/dbraw/zinc/33/93/20/345339320.db2.gz LQPLRTISLUMIJV-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc(C[NH+]2CCC(CF)CC2)c1[O-] ZINC000295050059 179074319 /nfs/dbraw/zinc/07/43/19/179074319.db2.gz NKKSXZJUCFEXOM-UHFFFAOYSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc(C[N@H+]2CCSC[C@@H]2C)c1[O-] ZINC000180246352 179079210 /nfs/dbraw/zinc/07/92/10/179079210.db2.gz JGONIZFDWHGBIU-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1[O-] ZINC000180246352 179079212 /nfs/dbraw/zinc/07/92/12/179079212.db2.gz JGONIZFDWHGBIU-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000376830569 179082788 /nfs/dbraw/zinc/08/27/88/179082788.db2.gz DSCVMYZXHKNMRX-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000376830569 179082789 /nfs/dbraw/zinc/08/27/89/179082789.db2.gz DSCVMYZXHKNMRX-ZDUSSCGKSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000124570985 179084205 /nfs/dbraw/zinc/08/42/05/179084205.db2.gz OVMBQOGDYNSHDA-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN CC(C)CO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179586286 188167683 /nfs/dbraw/zinc/16/76/83/188167683.db2.gz PIEMXAAAKZTRSB-AWEZNQCLSA-N 0 3 249.354 2.639 20 10 BFCDHN CC(C)CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179586286 188167684 /nfs/dbraw/zinc/16/76/84/188167684.db2.gz PIEMXAAAKZTRSB-AWEZNQCLSA-N 0 3 249.354 2.639 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCOCC[C@@H]2C)cc1C ZINC000091589924 360120997 /nfs/dbraw/zinc/12/09/97/360120997.db2.gz ZWBDSXKZRGEAQI-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCOCC[C@@H]2C)cc1C ZINC000091589924 360121001 /nfs/dbraw/zinc/12/10/01/360121001.db2.gz ZWBDSXKZRGEAQI-ZDUSSCGKSA-N 0 3 249.354 2.620 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccccc1[O-] ZINC000293581599 364775721 /nfs/dbraw/zinc/77/57/21/364775721.db2.gz CAHUWESOVMYKCM-HIFRSBDPSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)c([O-])c1 ZINC000296642560 364785592 /nfs/dbraw/zinc/78/55/92/364785592.db2.gz YFRIWBWKBGKHQS-FZMZJTMJSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c([O-])c1 ZINC000296642562 364785647 /nfs/dbraw/zinc/78/56/47/364785647.db2.gz YFRIWBWKBGKHQS-RISCZKNCSA-N 0 3 249.354 2.919 20 10 BFCDHN CC1(C)C[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296766698 364785672 /nfs/dbraw/zinc/78/56/72/364785672.db2.gz KJYZFENRKRSTIM-PWSUYJOCSA-N 0 3 217.312 2.768 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000226588072 183274821 /nfs/dbraw/zinc/27/48/21/183274821.db2.gz DDUPKXRVHWPEIZ-LLVKDONJSA-N 0 3 235.302 2.977 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000083380253 183275810 /nfs/dbraw/zinc/27/58/10/183275810.db2.gz GBCNIABZBCQIGU-UHFFFAOYSA-N 0 3 249.260 2.960 20 10 BFCDHN CCC[N@H+](CCCOC)Cc1ccccc1[O-] ZINC000075829146 169156485 /nfs/dbraw/zinc/15/64/85/169156485.db2.gz BODAQOCNUAKNNO-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN CCC[N@@H+](CCCOC)Cc1ccccc1[O-] ZINC000075829146 169156486 /nfs/dbraw/zinc/15/64/86/169156486.db2.gz BODAQOCNUAKNNO-UHFFFAOYSA-N 0 3 237.343 2.641 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCCO1)CC2 ZINC000296004268 183297042 /nfs/dbraw/zinc/29/70/42/183297042.db2.gz OOIPENPBHZRXGL-QWHCGFSZSA-N 0 3 247.338 2.538 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCCc1nccs1 ZINC000265490672 183301293 /nfs/dbraw/zinc/30/12/93/183301293.db2.gz BBGGXTMKTZHXAD-UHFFFAOYSA-N 0 3 248.351 2.571 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000378494362 183301492 /nfs/dbraw/zinc/30/14/92/183301492.db2.gz LBLGMPNACMTZSX-ZDUSSCGKSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000378494362 183301493 /nfs/dbraw/zinc/30/14/93/183301493.db2.gz LBLGMPNACMTZSX-ZDUSSCGKSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1(O)CCCCCC1 ZINC000079619312 183301763 /nfs/dbraw/zinc/30/17/63/183301763.db2.gz FMYBIQYADZNCBS-UHFFFAOYSA-N 0 3 249.354 2.567 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCc1cccs1 ZINC000019948696 183303011 /nfs/dbraw/zinc/30/30/11/183303011.db2.gz NXZJBCHKGRSYGX-UHFFFAOYSA-N 0 3 233.336 2.786 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281670766 183303184 /nfs/dbraw/zinc/30/31/84/183303184.db2.gz OAFBJRGFMKQFEY-SNVBAGLBSA-N 0 3 241.281 2.917 20 10 BFCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)OC ZINC000182203376 169178340 /nfs/dbraw/zinc/17/83/40/169178340.db2.gz XYXDDZHPOAFECC-GFCCVEGCSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)OC ZINC000182203376 169178341 /nfs/dbraw/zinc/17/83/41/169178341.db2.gz XYXDDZHPOAFECC-GFCCVEGCSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[C@@H](C[NH2+]Cc1cccc(C)c1[O-])OC ZINC000293650135 169384503 /nfs/dbraw/zinc/38/45/03/169384503.db2.gz KLKQACHECKPAHQ-ZDUSSCGKSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1ccc(O)c([C@@H](C)NCc2cccnc2)c1 ZINC000035628867 383865225 /nfs/dbraw/zinc/86/52/25/383865225.db2.gz CCRAHBOUZUMSQR-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2)c1 ZINC000035628867 383865231 /nfs/dbraw/zinc/86/52/31/383865231.db2.gz CCRAHBOUZUMSQR-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC2(C)C)c1 ZINC000070955603 383972287 /nfs/dbraw/zinc/97/22/87/383972287.db2.gz VYMAXZMEODMVNC-GFCCVEGCSA-N 0 3 205.301 2.589 20 10 BFCDHN CCCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000070954695 384142679 /nfs/dbraw/zinc/14/26/79/384142679.db2.gz GXGCQBLZECCPND-UHFFFAOYSA-N 0 3 207.317 2.980 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C(C)C)c1 ZINC000070955090 384143984 /nfs/dbraw/zinc/14/39/84/384143984.db2.gz CMVAEENLROFHEP-NSHDSACASA-N 0 3 207.317 2.835 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000132659501 384199065 /nfs/dbraw/zinc/19/90/65/384199065.db2.gz DCINZVYNCULKNQ-LLVKDONJSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000132659501 384199070 /nfs/dbraw/zinc/19/90/70/384199070.db2.gz DCINZVYNCULKNQ-LLVKDONJSA-N 0 3 205.301 2.542 20 10 BFCDHN CCOc1cccc(C[N@H+](C)C(C)C)c1[O-] ZINC000132488809 384234172 /nfs/dbraw/zinc/23/41/72/384234172.db2.gz FBTOTEAOJZFFRE-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CCOc1cccc(C[N@@H+](C)C(C)C)c1[O-] ZINC000132488809 384234175 /nfs/dbraw/zinc/23/41/75/384234175.db2.gz FBTOTEAOJZFFRE-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000132484432 384234196 /nfs/dbraw/zinc/23/41/96/384234196.db2.gz CDDMZWKNOXWZIY-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000132484432 384234201 /nfs/dbraw/zinc/23/42/01/384234201.db2.gz CDDMZWKNOXWZIY-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1[O-] ZINC000042812022 384248335 /nfs/dbraw/zinc/24/83/35/384248335.db2.gz BHTSOAZMXHHWKU-NWDGAFQWSA-N 0 3 235.327 2.612 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@@H](O)CC)c1ccccc1[O-] ZINC000119249070 384250965 /nfs/dbraw/zinc/25/09/65/384250965.db2.gz JHIJAADORWYRJV-WCQYABFASA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000094941734 384319443 /nfs/dbraw/zinc/31/94/43/384319443.db2.gz CLHKUXZWXXGZPO-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN CCOc1cccc(CNCc2ccoc2)c1O ZINC000134227280 384340136 /nfs/dbraw/zinc/34/01/36/384340136.db2.gz XHKUOONLGOMKAR-UHFFFAOYSA-N 0 3 247.294 2.674 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H](C)COC)c1ccccc1[O-] ZINC000045656074 384399499 /nfs/dbraw/zinc/39/94/99/384399499.db2.gz GSNPDPXKTPKAGT-YPMHNXCESA-N 0 3 237.343 2.715 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1[O-] ZINC000035733334 384421315 /nfs/dbraw/zinc/42/13/15/384421315.db2.gz KQCOTRDNGRTBAZ-UWVGGRQHSA-N 0 3 205.301 2.841 20 10 BFCDHN COC(C)(C)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000135216343 384424952 /nfs/dbraw/zinc/42/49/52/384424952.db2.gz DPOYGGRBHAEFKN-LLVKDONJSA-N 0 3 237.343 2.685 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1[O-] ZINC000183645706 384544563 /nfs/dbraw/zinc/54/45/63/384544563.db2.gz RLVFPLLOMQXBTL-NWDGAFQWSA-N 0 3 235.327 2.612 20 10 BFCDHN CO[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C(C)C ZINC000294102653 384660419 /nfs/dbraw/zinc/66/04/19/384660419.db2.gz CCCSBGNGBGVRIL-TZMCWYRMSA-N 0 3 249.354 2.640 20 10 BFCDHN CCC1([NH2+]Cc2ccccc2[O-])CCC1 ZINC000129070700 384978179 /nfs/dbraw/zinc/97/81/79/384978179.db2.gz KAMCBNIACNZYGK-UHFFFAOYSA-N 0 3 205.301 2.815 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccccc1[O-] ZINC000187985784 385003033 /nfs/dbraw/zinc/00/30/33/385003033.db2.gz ZHBOVXSDBYYKAO-OUCADQQQSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(F)ccc1[O-] ZINC000087111395 385073999 /nfs/dbraw/zinc/07/39/99/385073999.db2.gz PITARUQLJWKDIA-UFBFGSQYSA-N 0 3 223.291 2.980 20 10 BFCDHN CS[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000164637386 385025890 /nfs/dbraw/zinc/02/58/90/385025890.db2.gz NOEMCLDRZGLXAE-IUCAKERBSA-N 0 3 243.347 2.933 20 10 BFCDHN c1csc(SCCCN2CCCC2)n1 ZINC000188301748 385036476 /nfs/dbraw/zinc/03/64/76/385036476.db2.gz ZTKQNEVEPAHQQH-UHFFFAOYSA-N 0 3 228.386 2.721 20 10 BFCDHN CCC1([NH2+]Cc2cc(OC)ccc2[O-])CCC1 ZINC000164749066 385037913 /nfs/dbraw/zinc/03/79/13/385037913.db2.gz RYWJISBEAPEADY-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000168801292 385387195 /nfs/dbraw/zinc/38/71/95/385387195.db2.gz IZIBXPXEWSGANZ-RWMBFGLXSA-N 0 3 249.354 2.776 20 10 BFCDHN C[N@H+](CCc1nccs1)Cc1ccccc1[O-] ZINC000179584059 385475800 /nfs/dbraw/zinc/47/58/00/385475800.db2.gz IDCRSHWXFUQHFW-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN C[N@@H+](CCc1nccs1)Cc1ccccc1[O-] ZINC000179584059 385475804 /nfs/dbraw/zinc/47/58/04/385475804.db2.gz IDCRSHWXFUQHFW-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN C[N@H+](CCC1CCOCC1)Cc1ccccc1[O-] ZINC000179578450 385475818 /nfs/dbraw/zinc/47/58/18/385475818.db2.gz XRFJCZCQHOAADT-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN C[N@@H+](CCC1CCOCC1)Cc1ccccc1[O-] ZINC000179578450 385475823 /nfs/dbraw/zinc/47/58/23/385475823.db2.gz XRFJCZCQHOAADT-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN CC[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180266597 385517948 /nfs/dbraw/zinc/51/79/48/385517948.db2.gz CWOWAQJFXPCUCT-JTQLQIEISA-N 0 3 223.291 2.763 20 10 BFCDHN CC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180266597 385517952 /nfs/dbraw/zinc/51/79/52/385517952.db2.gz CWOWAQJFXPCUCT-JTQLQIEISA-N 0 3 223.291 2.763 20 10 BFCDHN COC[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180198602 385511034 /nfs/dbraw/zinc/51/10/34/385511034.db2.gz QLBYTECHKOATGQ-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180198602 385511037 /nfs/dbraw/zinc/51/10/37/385511037.db2.gz QLBYTECHKOATGQ-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccccc1[O-] ZINC000229564820 385635257 /nfs/dbraw/zinc/63/52/57/385635257.db2.gz JEMGKUIWUBZERY-MFKMUULPSA-N 0 3 245.326 2.917 20 10 BFCDHN CSCCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000281192420 385641291 /nfs/dbraw/zinc/64/12/91/385641291.db2.gz IMWDKGKQJHDJCH-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CSCCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000281192420 385641298 /nfs/dbraw/zinc/64/12/98/385641298.db2.gz IMWDKGKQJHDJCH-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccccc1[O-] ZINC000290165221 385648001 /nfs/dbraw/zinc/64/80/01/385648001.db2.gz MFPDVVQOQGBNMC-BXUZGUMPSA-N 0 3 249.354 2.594 20 10 BFCDHN CSCCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000281319705 385656622 /nfs/dbraw/zinc/65/66/22/385656622.db2.gz RBUXWODUJMBKII-UHFFFAOYSA-N 0 3 243.347 2.716 20 10 BFCDHN CSCCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000281319705 385656624 /nfs/dbraw/zinc/65/66/24/385656624.db2.gz RBUXWODUJMBKII-UHFFFAOYSA-N 0 3 243.347 2.716 20 10 BFCDHN COC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000186154018 385748974 /nfs/dbraw/zinc/74/89/74/385748974.db2.gz QNXACFIYIGEHPC-SMDDNHRTSA-N 0 3 249.354 2.776 20 10 BFCDHN CCSCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000282291916 385750941 /nfs/dbraw/zinc/75/09/41/385750941.db2.gz FQJJHPKOCDZWRO-UHFFFAOYSA-N 0 3 239.384 2.933 20 10 BFCDHN C[N@H+](CCc1cscn1)Cc1ccccc1[O-] ZINC000284041517 385847421 /nfs/dbraw/zinc/84/74/21/385847421.db2.gz PGRMNRZBVMHQHX-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN C[N@@H+](CCc1cscn1)Cc1ccccc1[O-] ZINC000284041517 385847422 /nfs/dbraw/zinc/84/74/22/385847422.db2.gz PGRMNRZBVMHQHX-UHFFFAOYSA-N 0 3 248.351 2.523 20 10 BFCDHN CO[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285112489 385898670 /nfs/dbraw/zinc/89/86/70/385898670.db2.gz KUDAAINVCUBQTH-VXGBXAGGSA-N 0 3 237.343 2.695 20 10 BFCDHN CO[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285112484 385899734 /nfs/dbraw/zinc/89/97/34/385899734.db2.gz KUDAAINVCUBQTH-NEPJUHHUSA-N 0 3 237.343 2.695 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCOC2)c([O-])c1 ZINC000285120919 385901607 /nfs/dbraw/zinc/90/16/07/385901607.db2.gz LBUMYDXHUGJMRB-STQMWFEESA-N 0 3 249.354 2.839 20 10 BFCDHN CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000273571723 385865848 /nfs/dbraw/zinc/86/58/48/385865848.db2.gz KXNGZNPDXVYEQQ-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccnc([C@@H](C)NCc2ccccc2O)c1 ZINC000285969144 385985040 /nfs/dbraw/zinc/98/50/40/385985040.db2.gz GZXBZMZISORPLU-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c([O-])c1C ZINC000273374688 385993983 /nfs/dbraw/zinc/99/39/83/385993983.db2.gz GXQCUJYVUAFQAN-OLZOCXBDSA-N 0 3 249.354 2.696 20 10 BFCDHN CS[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000295100743 385968094 /nfs/dbraw/zinc/96/80/94/385968094.db2.gz SSRQJHGTAZORMH-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000295100743 385968099 /nfs/dbraw/zinc/96/80/99/385968099.db2.gz SSRQJHGTAZORMH-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000286169099 386003861 /nfs/dbraw/zinc/00/38/61/386003861.db2.gz ONAKRCIYMFHPGN-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000286169099 386003865 /nfs/dbraw/zinc/00/38/65/386003865.db2.gz ONAKRCIYMFHPGN-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)c([O-])c1C ZINC000273612592 386017430 /nfs/dbraw/zinc/01/74/30/386017430.db2.gz WQCQVJUFIBWMDY-CHWSQXEVSA-N 0 3 249.354 2.839 20 10 BFCDHN CCN(CC)c1ccc(CN[C@H](C)CF)cc1 ZINC000288373565 386193277 /nfs/dbraw/zinc/19/32/77/386193277.db2.gz FHKDZOFJGWEYMB-GFCCVEGCSA-N 0 3 238.350 2.980 20 10 BFCDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000289943201 386374410 /nfs/dbraw/zinc/37/44/10/386374410.db2.gz WXCPZIQKDMMSDD-VXGBXAGGSA-N 0 3 237.343 2.522 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCC(=O)CC1 ZINC000290121495 386396368 /nfs/dbraw/zinc/39/63/68/386396368.db2.gz UFROYYYRBBARSO-UHFFFAOYSA-N 0 3 247.338 2.583 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])CC1CCC(=O)CC1 ZINC000290121495 386396373 /nfs/dbraw/zinc/39/63/73/386396373.db2.gz UFROYYYRBBARSO-UHFFFAOYSA-N 0 3 247.338 2.583 20 10 BFCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000290138885 386398279 /nfs/dbraw/zinc/39/82/79/386398279.db2.gz KLIRFMQZHATSLT-UTUOFQBUSA-N 0 3 237.343 2.775 20 10 BFCDHN CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccccc1[O-] ZINC000290265510 386412116 /nfs/dbraw/zinc/41/21/16/386412116.db2.gz VRPYIVCUWVQGTP-MDZLAQPJSA-N 0 3 237.343 2.856 20 10 BFCDHN CC[C@H](CSC)[N@H+](C)Cc1ccccc1[O-] ZINC000290425104 386433802 /nfs/dbraw/zinc/43/38/02/386433802.db2.gz KYPVUBGUVARFET-GFCCVEGCSA-N 0 3 239.384 2.966 20 10 BFCDHN CC[C@H](CSC)[N@@H+](C)Cc1ccccc1[O-] ZINC000290425104 386433808 /nfs/dbraw/zinc/43/38/08/386433808.db2.gz KYPVUBGUVARFET-GFCCVEGCSA-N 0 3 239.384 2.966 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1[O-] ZINC000228553924 386585073 /nfs/dbraw/zinc/58/50/73/386585073.db2.gz FTCUYHXHDGPTNN-QWRGUYRKSA-N 0 3 237.368 2.796 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000228848331 386628410 /nfs/dbraw/zinc/62/84/10/386628410.db2.gz ILBPRQMPLHTOKQ-LEWSCRJBSA-N 0 3 249.354 2.511 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cn[nH]c1 ZINC000228799323 386617475 /nfs/dbraw/zinc/61/74/75/386617475.db2.gz PRHXEXFZDOXHHQ-ZJUUUORDSA-N 0 3 231.299 2.527 20 10 BFCDHN CC[C@H]1CC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000292767283 386722137 /nfs/dbraw/zinc/72/21/37/386722137.db2.gz JZXDEIUMPBALCQ-LBPRGKRZSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@H]1CC[N@H+]1Cc1cccc(C)c1[O-] ZINC000292767283 386722140 /nfs/dbraw/zinc/72/21/40/386722140.db2.gz JZXDEIUMPBALCQ-LBPRGKRZSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCOC2)c([O-])c1 ZINC000293905743 386901031 /nfs/dbraw/zinc/90/10/31/386901031.db2.gz WQYKNICRBJETLE-CHWSQXEVSA-N 0 3 249.354 2.696 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCOCC2)c([O-])c1 ZINC000293932804 386905831 /nfs/dbraw/zinc/90/58/31/386905831.db2.gz YBIBICJDKRGEII-LBPRGKRZSA-N 0 3 249.354 2.839 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC2(O)CCC2)c1 ZINC000284299134 387179285 /nfs/dbraw/zinc/17/92/85/387179285.db2.gz IRMACTWGESFFMC-GFCCVEGCSA-N 0 3 249.354 2.656 20 10 BFCDHN CC[C@H]([NH2+]CCC1(O)CCC1)c1ccccc1[O-] ZINC000284355654 387186005 /nfs/dbraw/zinc/18/60/05/387186005.db2.gz MQCZIKTWADAASH-ZDUSSCGKSA-N 0 3 249.354 2.738 20 10 BFCDHN CO[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])CC1 ZINC000371684390 387239348 /nfs/dbraw/zinc/23/93/48/387239348.db2.gz DJGCSANRRQZUNH-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])CC1 ZINC000371684390 387239351 /nfs/dbraw/zinc/23/93/51/387239351.db2.gz DJGCSANRRQZUNH-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CCOc1ccc(C[NH2+]CC2CC=CC2)c([O-])c1 ZINC000527750929 387692387 /nfs/dbraw/zinc/69/23/87/387692387.db2.gz RCRXBMWOGDYOPL-UHFFFAOYSA-N 0 3 247.338 2.847 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000527983189 387800649 /nfs/dbraw/zinc/80/06/49/387800649.db2.gz WSIQUJCUTYNJSQ-KYOSRNDESA-N 0 3 247.338 2.537 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000527983192 387800723 /nfs/dbraw/zinc/80/07/23/387800723.db2.gz WSIQUJCUTYNJSQ-LNSITVRQSA-N 0 3 247.338 2.537 20 10 BFCDHN CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168772590 387803267 /nfs/dbraw/zinc/80/32/67/387803267.db2.gz YQPXXLLCUBGGLL-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)CO3)c([O-])c1 ZINC000527977578 387818832 /nfs/dbraw/zinc/81/88/32/387818832.db2.gz GMGRXTRTARPIHG-XIKARTHZSA-N 0 3 247.338 2.530 20 10 BFCDHN CSC[C@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000162656585 388251828 /nfs/dbraw/zinc/25/18/28/388251828.db2.gz SAHFHCDVBVSVBI-JTQLQIEISA-N 0 3 225.357 2.542 20 10 BFCDHN CSCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000162867233 388254151 /nfs/dbraw/zinc/25/41/51/388254151.db2.gz ATWBWXUUGLPUJE-UHFFFAOYSA-N 0 3 225.357 2.543 20 10 BFCDHN CC[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000164409433 388238214 /nfs/dbraw/zinc/23/82/14/388238214.db2.gz HPADHGIZFGDHRJ-LLVKDONJSA-N 0 3 207.317 2.897 20 10 BFCDHN COC[C@@]1(C)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000294170984 388395682 /nfs/dbraw/zinc/39/56/82/388395682.db2.gz JFXAUBCGEJMCAU-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@@]1(C)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000294170984 388395684 /nfs/dbraw/zinc/39/56/84/388395684.db2.gz JFXAUBCGEJMCAU-HNNXBMFYSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(C)(C)O ZINC000294988698 388406840 /nfs/dbraw/zinc/40/68/40/388406840.db2.gz LDJZTERSASWIPJ-GWCFXTLKSA-N 0 3 237.343 2.592 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000296371804 388422466 /nfs/dbraw/zinc/42/24/66/388422466.db2.gz JFTNRJGTWRUPLK-ZWNOBZJWSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000297357223 388428569 /nfs/dbraw/zinc/42/85/69/388428569.db2.gz PNFVHEVDMPHAEB-YPMHNXCESA-N 0 3 249.354 2.519 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(C)COC2)c([O-])c1C ZINC000273370097 397997068 /nfs/dbraw/zinc/99/70/68/397997068.db2.gz CHBJJDLBPKHXLX-GFCCVEGCSA-N 0 3 249.354 2.696 20 10 BFCDHN C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000277201817 398026821 /nfs/dbraw/zinc/02/68/21/398026821.db2.gz VRIWNMORYAONQV-SSDOTTSWSA-N 0 3 245.244 2.980 20 10 BFCDHN CC(C)OCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168889719 167245245 /nfs/dbraw/zinc/24/52/45/167245245.db2.gz SGLLWVDFAHASBA-SNVBAGLBSA-N 0 3 241.306 2.607 20 10 BFCDHN CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000132618020 167368546 /nfs/dbraw/zinc/36/85/46/167368546.db2.gz HSSJGPGZZGWHQW-LLVKDONJSA-N 0 3 207.317 2.869 20 10 BFCDHN CC(C)[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000132618020 167368547 /nfs/dbraw/zinc/36/85/47/167368547.db2.gz HSSJGPGZZGWHQW-LLVKDONJSA-N 0 3 207.317 2.869 20 10 BFCDHN CC1CC([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296877139 168148175 /nfs/dbraw/zinc/14/81/75/168148175.db2.gz OAOVUZRAVHPPJY-NHNAUAITSA-N 0 3 217.312 2.768 20 10 BFCDHN CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000139747355 168183900 /nfs/dbraw/zinc/18/39/00/168183900.db2.gz LPPGUVUFLQHTSU-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CCOc1cccc(C[NH2+]CC(C)(C)C)c1[O-] ZINC000040492496 170577590 /nfs/dbraw/zinc/57/75/90/170577590.db2.gz KOISOAJPRXUFHZ-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1[O-] ZINC000229562365 171542179 /nfs/dbraw/zinc/54/21/79/171542179.db2.gz SUSOWUVBSRDURM-PWSUYJOCSA-N 0 3 237.368 2.938 20 10 BFCDHN CCn1cccc1CN(C)Cc1ccccc1O ZINC000272292909 172203426 /nfs/dbraw/zinc/20/34/26/172203426.db2.gz OLFVLZFCWYJHNG-UHFFFAOYSA-N 0 3 244.338 2.846 20 10 BFCDHN COCCC1(C)C[NH+](Cc2cccc(C)c2[O-])C1 ZINC000297298063 174152509 /nfs/dbraw/zinc/15/25/09/174152509.db2.gz BIWDKRHKMQEJFN-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN COCCC1(C)CN(Cc2cccc(C)c2O)C1 ZINC000297298063 174152511 /nfs/dbraw/zinc/15/25/11/174152511.db2.gz BIWDKRHKMQEJFN-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN COCC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000081705476 174385240 /nfs/dbraw/zinc/38/52/40/174385240.db2.gz GPJGULKGCCCYHF-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000131874207 175158118 /nfs/dbraw/zinc/15/81/18/175158118.db2.gz MSLXSNDZMGPHQB-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000131874207 175158119 /nfs/dbraw/zinc/15/81/19/175158119.db2.gz MSLXSNDZMGPHQB-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCC(C)(C)C2)c1 ZINC000156090902 175158179 /nfs/dbraw/zinc/15/81/79/175158179.db2.gz OWAGGPNCRQHJEP-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCC(C)(C)C2)c1 ZINC000156090902 175158180 /nfs/dbraw/zinc/15/81/80/175158180.db2.gz OWAGGPNCRQHJEP-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CCC(C)C)c1 ZINC000020088759 175159565 /nfs/dbraw/zinc/15/95/65/175159565.db2.gz GBKOGNVDLDPMIW-UHFFFAOYSA-N 0 3 223.316 2.537 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC2)c1 ZINC000052207158 175159897 /nfs/dbraw/zinc/15/98/97/175159897.db2.gz AJFKLZMRZNLUGS-SECBINFHSA-N 0 3 221.300 2.604 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCCC2)c1 ZINC000019883527 175159989 /nfs/dbraw/zinc/15/99/89/175159989.db2.gz XNKJMWPQSXIYAV-JTQLQIEISA-N 0 3 235.327 2.994 20 10 BFCDHN COc1cccc(C[N@@H+]2CCC(C)(C)C2)c1[O-] ZINC000156091056 175256908 /nfs/dbraw/zinc/25/69/08/175256908.db2.gz FKJZSVAZKLGVGP-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc(C[N@H+]2CCC(C)(C)C2)c1[O-] ZINC000156091056 175256910 /nfs/dbraw/zinc/25/69/10/175256910.db2.gz FKJZSVAZKLGVGP-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000378345853 175260588 /nfs/dbraw/zinc/26/05/88/175260588.db2.gz BHHGOIZWOGHKEX-LBPRGKRZSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000378345853 175260589 /nfs/dbraw/zinc/26/05/89/175260589.db2.gz BHHGOIZWOGHKEX-LBPRGKRZSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc(C[NH2+]CCC=C(C)C)c1[O-] ZINC000276651529 175264187 /nfs/dbraw/zinc/26/41/87/175264187.db2.gz UDAVQWFLXJGINI-UHFFFAOYSA-N 0 3 235.327 2.847 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1[O-] ZINC000293888511 175267773 /nfs/dbraw/zinc/26/77/73/175267773.db2.gz KEAOBNVIYMMFHO-ZDUSSCGKSA-N 0 3 247.338 2.989 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000272812114 176378864 /nfs/dbraw/zinc/37/88/64/176378864.db2.gz DHGPQDPIVSYWDP-UTUOFQBUSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000062183904 177102742 /nfs/dbraw/zinc/10/27/42/177102742.db2.gz CCVRFMYNNAZIOO-NSHDSACASA-N 0 3 205.301 2.624 20 10 BFCDHN C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000062183904 177102746 /nfs/dbraw/zinc/10/27/46/177102746.db2.gz CCVRFMYNNAZIOO-NSHDSACASA-N 0 3 205.301 2.624 20 10 BFCDHN C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2[O-])CCO1 ZINC000273087569 177361063 /nfs/dbraw/zinc/36/10/63/177361063.db2.gz RZKYRNRKPWPVKX-QWHCGFSZSA-N 0 3 249.354 2.687 20 10 BFCDHN Cc1cccc(C[NH2+]CC2CC=CC2)c1[O-] ZINC000529639551 324368850 /nfs/dbraw/zinc/36/88/50/324368850.db2.gz HVAOZWDWBKBEOJ-UHFFFAOYSA-N 0 3 217.312 2.756 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[O-] ZINC000529670076 324375884 /nfs/dbraw/zinc/37/58/84/324375884.db2.gz QQAWESKVAHOFSH-OPDFLTKYSA-N 0 3 249.354 2.602 20 10 BFCDHN COc1cccc([O-])c1C[NH+]1CC(CC2CC2)C1 ZINC000857066463 588885002 /nfs/dbraw/zinc/88/50/02/588885002.db2.gz LHEQUEOOGSPCPG-UHFFFAOYSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cc(C)cc(CN2[C@H](C)C[C@@H]2C)c1O ZINC000894600151 583490595 /nfs/dbraw/zinc/49/05/95/583490595.db2.gz FMCQTAVEHKERRR-PHIMTYICSA-N 0 3 235.327 2.692 20 10 BFCDHN COc1cccc(CNCc2cc(C)co2)c1O ZINC000894766208 583518394 /nfs/dbraw/zinc/51/83/94/583518394.db2.gz NBSKIIZSGWKWRL-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CCCCF)c1[O-] ZINC000894813354 583523407 /nfs/dbraw/zinc/52/34/07/583523407.db2.gz PKLAQTRONSMDCW-UHFFFAOYSA-N 0 3 241.306 2.549 20 10 BFCDHN CCc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1[O-] ZINC000894862204 583535497 /nfs/dbraw/zinc/53/54/97/583535497.db2.gz UAYFZEGFMLSFSF-QWRGUYRKSA-N 0 3 219.328 2.795 20 10 BFCDHN CCc1cccc(C[N@H+]2C[C@H](C)[C@@H]2C)c1[O-] ZINC000894862204 583535499 /nfs/dbraw/zinc/53/54/99/583535499.db2.gz UAYFZEGFMLSFSF-QWRGUYRKSA-N 0 3 219.328 2.795 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@@]2(C)CC2(C)C)c1[O-] ZINC000895333868 583652761 /nfs/dbraw/zinc/65/27/61/583652761.db2.gz CGXMWXNKDJRHOO-HNNXBMFYSA-N 0 3 249.354 2.987 20 10 BFCDHN C=C/C=C\CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000895541633 583688521 /nfs/dbraw/zinc/68/85/21/583688521.db2.gz PGXFTWZTDTWWQU-PLNGDYQASA-N 0 3 217.312 2.923 20 10 BFCDHN CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929121 583748475 /nfs/dbraw/zinc/74/84/75/583748475.db2.gz XPPGBKGJVCVWAF-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000895929121 583748477 /nfs/dbraw/zinc/74/84/77/583748477.db2.gz XPPGBKGJVCVWAF-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CC(C)NCc1cc(F)c(N(C)C)cc1F ZINC000858086898 588931595 /nfs/dbraw/zinc/93/15/95/588931595.db2.gz PCZBUBUSQOAWTF-UHFFFAOYSA-N 0 3 228.286 2.529 20 10 BFCDHN CCc1nocc1CNCc1cc(C)ccc1O ZINC000858238651 588940324 /nfs/dbraw/zinc/94/03/24/588940324.db2.gz BFHSDTIDCHLUID-UHFFFAOYSA-N 0 3 246.310 2.541 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000897242483 583901036 /nfs/dbraw/zinc/90/10/36/583901036.db2.gz XNZXALXYBCLTQJ-DOMZBBRYSA-N 0 3 231.339 2.980 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)C1CC1 ZINC000897443444 583984961 /nfs/dbraw/zinc/98/49/61/583984961.db2.gz XDNLEJFFFLHRBP-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000897953924 584064112 /nfs/dbraw/zinc/06/41/12/584064112.db2.gz VFXZHCSDEDIUTQ-KWCYVHTRSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C/C=C/Cl ZINC000898427334 584132273 /nfs/dbraw/zinc/13/22/73/584132273.db2.gz CQTCCQIIADWKJH-ZZXKWVIFSA-N 0 3 211.692 2.543 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C/C=C\Cl ZINC000898427302 584132305 /nfs/dbraw/zinc/13/23/05/584132305.db2.gz CQTCCQIIADWKJH-UTCJRWHESA-N 0 3 211.692 2.543 20 10 BFCDHN CCOc1cccc(CNC/C=C/Cl)c1O ZINC000898434889 584135678 /nfs/dbraw/zinc/13/56/78/584135678.db2.gz CMIJLRFZVKNEFQ-QPJJXVBHSA-N 0 3 241.718 2.633 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C/C=C\Cl)c1 ZINC000898436022 584136426 /nfs/dbraw/zinc/13/64/26/584136426.db2.gz PNUFGADCXITDFW-DJWKRKHSSA-N 0 3 211.692 2.543 20 10 BFCDHN Cc1ccc(O)c(CNC/C=C\Cl)c1 ZINC000898436022 584136427 /nfs/dbraw/zinc/13/64/27/584136427.db2.gz PNUFGADCXITDFW-DJWKRKHSSA-N 0 3 211.692 2.543 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c([O-])c1C ZINC000903396905 584757479 /nfs/dbraw/zinc/75/74/79/584757479.db2.gz URDDSJMCKZRYKL-OSMZGAPFSA-N 0 3 249.354 2.695 20 10 BFCDHN CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000840762920 584951536 /nfs/dbraw/zinc/95/15/36/584951536.db2.gz GBEFJYFUHAIUJT-UPJWGTAASA-N 0 3 249.354 2.999 20 10 BFCDHN COc1ccc(O)c(CN2CC3(C2)CCCC3)c1 ZINC000839105706 585091090 /nfs/dbraw/zinc/09/10/90/585091090.db2.gz VROBBNVVUSWVCY-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839191345 585097580 /nfs/dbraw/zinc/09/75/80/585097580.db2.gz OFAFOCUPGZRLCQ-SWHYSGLUSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCOC2)cc1C ZINC000742370563 585124957 /nfs/dbraw/zinc/12/49/57/585124957.db2.gz BIXFKNFWGGFBKM-HNNXBMFYSA-N 0 3 249.354 2.525 20 10 BFCDHN CC[C@H](COC)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000742372099 585125252 /nfs/dbraw/zinc/12/52/52/585125252.db2.gz RDBXWRNSEAFOHW-CYBMUJFWSA-N 0 3 237.343 2.524 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)CCC(C)C ZINC000768263835 585534602 /nfs/dbraw/zinc/53/46/02/585534602.db2.gz WZXYKLKMYBIZKF-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)CCC(C)C ZINC000768263835 585534603 /nfs/dbraw/zinc/53/46/03/585534603.db2.gz WZXYKLKMYBIZKF-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC(C)(C)C1 ZINC000769399784 585555190 /nfs/dbraw/zinc/55/51/90/585555190.db2.gz UPAZLJUGLPFQNN-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC(C)(C)C1 ZINC000769399784 585555191 /nfs/dbraw/zinc/55/51/91/585555191.db2.gz UPAZLJUGLPFQNN-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000769471486 585557958 /nfs/dbraw/zinc/55/79/58/585557958.db2.gz UMEHNHNGVYVIRA-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000769471486 585557959 /nfs/dbraw/zinc/55/79/59/585557959.db2.gz UMEHNHNGVYVIRA-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000774830841 585666984 /nfs/dbraw/zinc/66/69/84/585666984.db2.gz DQMLOGOBZLFQNN-WFASDCNBSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775763422 585684116 /nfs/dbraw/zinc/68/41/16/585684116.db2.gz GCJNKTPXHRGGQU-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775763422 585684117 /nfs/dbraw/zinc/68/41/17/585684117.db2.gz GCJNKTPXHRGGQU-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN COCC1(N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000777237778 585709735 /nfs/dbraw/zinc/70/97/35/585709735.db2.gz LVYVLMCOZSIKSM-LBPRGKRZSA-N 0 3 248.370 2.582 20 10 BFCDHN C[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999210 585743879 /nfs/dbraw/zinc/74/38/79/585743879.db2.gz AWNHICMLUZOKQE-CHWSQXEVSA-N 0 3 249.354 2.639 20 10 BFCDHN C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000778999210 585743880 /nfs/dbraw/zinc/74/38/80/585743880.db2.gz AWNHICMLUZOKQE-CHWSQXEVSA-N 0 3 249.354 2.639 20 10 BFCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C1CCC1 ZINC000779018111 585744087 /nfs/dbraw/zinc/74/40/87/585744087.db2.gz DIWQJEHDQXFKDI-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCC1 ZINC000779018111 585744088 /nfs/dbraw/zinc/74/40/88/585744088.db2.gz DIWQJEHDQXFKDI-UHFFFAOYSA-N 0 3 223.291 2.906 20 10 BFCDHN CC(C)[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779044614 585744551 /nfs/dbraw/zinc/74/45/51/585744551.db2.gz ALTRTBFKFRMMSQ-LBPRGKRZSA-N 0 3 223.291 2.762 20 10 BFCDHN CC(C)[C@@H]1CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779044614 585744552 /nfs/dbraw/zinc/74/45/52/585744552.db2.gz ALTRTBFKFRMMSQ-LBPRGKRZSA-N 0 3 223.291 2.762 20 10 BFCDHN Cc1cccc(CN2CC[C@H](C)[C@H](F)C2)c1O ZINC000779149046 585745965 /nfs/dbraw/zinc/74/59/65/585745965.db2.gz KEKORHHRUQCVIA-GXFFZTMASA-N 0 3 237.318 2.881 20 10 BFCDHN C[N@H+](Cc1ccc(O)cc1)Cc1ccccc1[O-] ZINC000779434355 585754894 /nfs/dbraw/zinc/75/48/94/585754894.db2.gz RMBFKFYPLOYUOJ-UHFFFAOYSA-N 0 3 243.306 2.730 20 10 BFCDHN C[N@@H+](Cc1ccc(O)cc1)Cc1ccccc1[O-] ZINC000779434355 585754895 /nfs/dbraw/zinc/75/48/95/585754895.db2.gz RMBFKFYPLOYUOJ-UHFFFAOYSA-N 0 3 243.306 2.730 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CCC2)c([O-])c1 ZINC000788590796 585927437 /nfs/dbraw/zinc/92/74/37/585927437.db2.gz GVGBEBZYHPYVML-LBPRGKRZSA-N 0 3 249.354 2.575 20 10 BFCDHN Cc1cccc(C[NH+]2CC(C(C)C)C2)c1[O-] ZINC000793191654 586013630 /nfs/dbraw/zinc/01/36/30/586013630.db2.gz ZWUDCYFJYQUPMV-UHFFFAOYSA-N 0 3 219.328 2.788 20 10 BFCDHN CCOc1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1[O-] ZINC000793219788 586014496 /nfs/dbraw/zinc/01/44/96/586014496.db2.gz DISQECZJMDXXIP-GHMZBOCLSA-N 0 3 235.327 2.774 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000793227730 586014811 /nfs/dbraw/zinc/01/48/11/586014811.db2.gz HBDPWSLUGSLMEL-GHMZBOCLSA-N 0 3 205.301 2.683 20 10 BFCDHN CC[C@H]([NH2+]CCCOC)c1ccc(C)cc1[O-] ZINC000794795230 586049086 /nfs/dbraw/zinc/04/90/86/586049086.db2.gz OYGUBTPICGZSPP-ZDUSSCGKSA-N 0 3 237.343 2.778 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797605042 586129463 /nfs/dbraw/zinc/12/94/63/586129463.db2.gz LJEXRALMQUURIF-LLVKDONJSA-N 0 3 247.338 2.799 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797605042 586129464 /nfs/dbraw/zinc/12/94/64/586129464.db2.gz LJEXRALMQUURIF-LLVKDONJSA-N 0 3 247.338 2.799 20 10 BFCDHN C[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000799122262 586159296 /nfs/dbraw/zinc/15/92/96/586159296.db2.gz YWDZPADAHCQPFG-LBPRGKRZSA-N 0 3 249.354 2.518 20 10 BFCDHN C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000799122262 586159298 /nfs/dbraw/zinc/15/92/98/586159298.db2.gz YWDZPADAHCQPFG-LBPRGKRZSA-N 0 3 249.354 2.518 20 10 BFCDHN Cc1cccc(C[NH+]2CC(C3CC3)C2)c1[O-] ZINC000812775661 586583986 /nfs/dbraw/zinc/58/39/86/586583986.db2.gz NGAAJCIMACOAIJ-UHFFFAOYSA-N 0 3 217.312 2.542 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CC[C@@H](C)F)c1 ZINC000815149290 586670656 /nfs/dbraw/zinc/67/06/56/586670656.db2.gz HMQGMGXONJUNMR-SNVBAGLBSA-N 0 3 241.306 2.629 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)c([O-])c1 ZINC000816597418 586743642 /nfs/dbraw/zinc/74/36/42/586743642.db2.gz QUTCRXNFQDVSEP-CYBMUJFWSA-N 0 3 247.338 2.989 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@@H]2C)cc1C ZINC000816647585 586747692 /nfs/dbraw/zinc/74/76/92/586747692.db2.gz VGXBTDRJADXIDR-RYUDHWBXSA-N 0 3 219.328 2.849 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1C ZINC000816647585 586747694 /nfs/dbraw/zinc/74/76/94/586747694.db2.gz VGXBTDRJADXIDR-RYUDHWBXSA-N 0 3 219.328 2.849 20 10 BFCDHN CCOc1ccc(O)c(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000816647310 586748551 /nfs/dbraw/zinc/74/85/51/586748551.db2.gz QPNRZCBJTOJPEN-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816647310 586748548 /nfs/dbraw/zinc/74/85/48/586748548.db2.gz QPNRZCBJTOJPEN-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816647310 586748549 /nfs/dbraw/zinc/74/85/49/586748549.db2.gz QPNRZCBJTOJPEN-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])CCO1 ZINC000817414685 586803078 /nfs/dbraw/zinc/80/30/78/586803078.db2.gz IFAFZWRYFAFGGP-UONOGXRCSA-N 0 3 249.354 2.748 20 10 BFCDHN CCCC[C@H](CN)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817963235 586853070 /nfs/dbraw/zinc/85/30/70/586853070.db2.gz PYCVBDJZGPRLGD-NWDGAFQWSA-N 0 3 236.359 2.560 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000818239290 586881612 /nfs/dbraw/zinc/88/16/12/586881612.db2.gz XRLYKMWPDIUQJT-PTEHBNRSSA-N 0 3 247.338 2.679 20 10 BFCDHN C[N@H+](Cc1cccc(N)c1)Cc1ccccc1[O-] ZINC000821391956 587116255 /nfs/dbraw/zinc/11/62/55/587116255.db2.gz UOHUQLGKWPKASC-UHFFFAOYSA-N 0 3 242.322 2.606 20 10 BFCDHN C[N@@H+](Cc1cccc(N)c1)Cc1ccccc1[O-] ZINC000821391956 587116257 /nfs/dbraw/zinc/11/62/57/587116257.db2.gz UOHUQLGKWPKASC-UHFFFAOYSA-N 0 3 242.322 2.606 20 10 BFCDHN CCOc1ccc(C[NH2+][C@@H](C)C2CC2)c([O-])c1 ZINC000824691077 587282768 /nfs/dbraw/zinc/28/27/68/587282768.db2.gz SRKJNVNIPIZBAG-JTQLQIEISA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1[O-] ZINC000824978611 587296601 /nfs/dbraw/zinc/29/66/01/587296601.db2.gz XHDKCNLAACXKQF-STQMWFEESA-N 0 3 249.354 2.783 20 10 BFCDHN COC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000825321324 587314873 /nfs/dbraw/zinc/31/48/73/587314873.db2.gz CDGUUJZUQSJTGB-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN COC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000825321324 587314875 /nfs/dbraw/zinc/31/48/75/587314875.db2.gz CDGUUJZUQSJTGB-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN C[N@H+](CCC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000828062847 587418585 /nfs/dbraw/zinc/41/85/85/587418585.db2.gz SWUCMUCQIYPUPU-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN C[N@@H+](CCC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000828062847 587418586 /nfs/dbraw/zinc/41/85/86/587418586.db2.gz SWUCMUCQIYPUPU-ZDUSSCGKSA-N 0 3 249.354 2.641 20 10 BFCDHN C[N@H+](CC1=CCCC1)Cc1ccccc1[O-] ZINC000828062555 587418618 /nfs/dbraw/zinc/41/86/18/587418618.db2.gz KHHDSGSTSHXEAQ-UHFFFAOYSA-N 0 3 217.312 2.934 20 10 BFCDHN C[N@@H+](CC1=CCCC1)Cc1ccccc1[O-] ZINC000828062555 587418620 /nfs/dbraw/zinc/41/86/20/587418620.db2.gz KHHDSGSTSHXEAQ-UHFFFAOYSA-N 0 3 217.312 2.934 20 10 BFCDHN CC(C)CC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000828062184 587418626 /nfs/dbraw/zinc/41/86/26/587418626.db2.gz DPAIEQPVUSPVNZ-UHFFFAOYSA-N 0 3 249.354 2.829 20 10 BFCDHN CC(C)CC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000828062184 587418628 /nfs/dbraw/zinc/41/86/28/587418628.db2.gz DPAIEQPVUSPVNZ-UHFFFAOYSA-N 0 3 249.354 2.829 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842776878 588062848 /nfs/dbraw/zinc/06/28/48/588062848.db2.gz RWFDKTSZCVWJLF-SDDRHHMPSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c([O-])c1C ZINC000842929715 588072144 /nfs/dbraw/zinc/07/21/44/588072144.db2.gz RWBGUGWBCKABAD-KGYLQXTDSA-N 0 3 249.354 2.837 20 10 BFCDHN CC[N@H+](CCSC)Cc1cccc(C)c1[O-] ZINC000843437350 588110326 /nfs/dbraw/zinc/11/03/26/588110326.db2.gz DEUWXQGFHMSVGB-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CC[N@@H+](CCSC)Cc1cccc(C)c1[O-] ZINC000843437350 588110327 /nfs/dbraw/zinc/11/03/27/588110327.db2.gz DEUWXQGFHMSVGB-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1[O-] ZINC000846144124 588258316 /nfs/dbraw/zinc/25/83/16/588258316.db2.gz KZQYXOZQEIJTSN-DCAQKATOSA-N 0 3 235.327 2.707 20 10 BFCDHN C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000846203495 588259690 /nfs/dbraw/zinc/25/96/90/588259690.db2.gz HDLXWRIXYGPWCT-NEPJUHHUSA-N 0 3 249.354 2.858 20 10 BFCDHN COCC1([NH2+]Cc2cc(C)ccc2[O-])CCCC1 ZINC000850344899 588538064 /nfs/dbraw/zinc/53/80/64/588538064.db2.gz BAWMGHSJCQCMTO-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000850358272 588538942 /nfs/dbraw/zinc/53/89/42/588538942.db2.gz MRJFXADNTHRKJI-GFCCVEGCSA-N 0 3 233.311 2.599 20 10 BFCDHN CC1(C)[C@@H](C[NH2+]Cc2ccccc2[O-])C1(F)F ZINC000850394193 588543829 /nfs/dbraw/zinc/54/38/29/588543829.db2.gz MSAJUYNDHHEQHD-LLVKDONJSA-N 0 3 241.281 2.773 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C1CC(C)(C)C1 ZINC000850415783 588544822 /nfs/dbraw/zinc/54/48/22/588544822.db2.gz SULIPYIQRVGBTM-UHFFFAOYSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850508862 588553822 /nfs/dbraw/zinc/55/38/22/588553822.db2.gz PDISZHYBCIZRAR-WDEREUQCSA-N 0 3 233.311 2.770 20 10 BFCDHN COc1ccc(O)c([C@@H](C)NCC(C)(C)F)c1 ZINC000866407692 589490674 /nfs/dbraw/zinc/49/06/74/589490674.db2.gz BMEUXNJOVSEXDO-SECBINFHSA-N 0 3 241.306 2.800 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)F)c1 ZINC000866407692 589490677 /nfs/dbraw/zinc/49/06/77/589490677.db2.gz BMEUXNJOVSEXDO-SECBINFHSA-N 0 3 241.306 2.800 20 10 BFCDHN C[C@H]([NH2+]CC(C)(C)F)c1ccccc1[O-] ZINC000866409104 589490754 /nfs/dbraw/zinc/49/07/54/589490754.db2.gz VLLRCJJBJSEXOX-VIFPVBQESA-N 0 3 211.280 2.791 20 10 BFCDHN Cc1cccc(C[NH2+]CCc2ccco2)c1[O-] ZINC000123564835 589754206 /nfs/dbraw/zinc/75/42/06/589754206.db2.gz ASVHOHBMGNNHCR-UHFFFAOYSA-N 0 3 231.295 2.626 20 10 BFCDHN CCC[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019902805 590040158 /nfs/dbraw/zinc/04/01/58/590040158.db2.gz TUXQFVBRBTWVRM-JTQLQIEISA-N 0 3 223.316 2.679 20 10 BFCDHN CCC[C@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020087166 590073034 /nfs/dbraw/zinc/07/30/34/590073034.db2.gz UQJPITBTUKKXFI-JTQLQIEISA-N 0 3 223.316 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@@H](C)C(C)C)c1[O-] ZINC000020523211 590118643 /nfs/dbraw/zinc/11/86/43/590118643.db2.gz QTFDHLWJWFFXJN-JTQLQIEISA-N 0 3 223.316 2.535 20 10 BFCDHN CCCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876525543 590208301 /nfs/dbraw/zinc/20/83/01/590208301.db2.gz GOXALZPXJIQJSM-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876525543 590208303 /nfs/dbraw/zinc/20/83/03/590208303.db2.gz GOXALZPXJIQJSM-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000876536150 590211400 /nfs/dbraw/zinc/21/14/00/590211400.db2.gz NYZMUJHJZHEBTK-CHWSQXEVSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000876536150 590211401 /nfs/dbraw/zinc/21/14/01/590211401.db2.gz NYZMUJHJZHEBTK-CHWSQXEVSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H]1CCSC1 ZINC000876573604 590217421 /nfs/dbraw/zinc/21/74/21/590217421.db2.gz WOWFIPZGMKUPOT-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)[C@H]1CCSC1 ZINC000876573604 590217422 /nfs/dbraw/zinc/21/74/22/590217422.db2.gz WOWFIPZGMKUPOT-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCSC2)c([O-])c1 ZINC000876573680 590217798 /nfs/dbraw/zinc/21/77/98/590217798.db2.gz YZBKAXSXOLAZFN-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)c([O-])c1 ZINC000876573680 590217799 /nfs/dbraw/zinc/21/77/99/590217799.db2.gz YZBKAXSXOLAZFN-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCCO1 ZINC000876634709 590224509 /nfs/dbraw/zinc/22/45/09/590224509.db2.gz ZDUWBEWEOOPURJ-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000876634709 590224510 /nfs/dbraw/zinc/22/45/10/590224510.db2.gz ZDUWBEWEOOPURJ-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C[C@H]1CCCO1 ZINC000876634090 590224522 /nfs/dbraw/zinc/22/45/22/590224522.db2.gz XYCCFOHUGYJKPN-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C[C@H]1CCCO1 ZINC000876634090 590224523 /nfs/dbraw/zinc/22/45/23/590224523.db2.gz XYCCFOHUGYJKPN-CYBMUJFWSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1CN(Cc2ccc(C)cc2O)C[C@@H](C)O1 ZINC000876638635 590225097 /nfs/dbraw/zinc/22/50/97/590225097.db2.gz DHJPULZRIBUQIT-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN COCC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876692951 590231364 /nfs/dbraw/zinc/23/13/64/590231364.db2.gz KTHBSLULVNIOPY-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC(C)(C)C1 ZINC000876726397 590232764 /nfs/dbraw/zinc/23/27/64/590232764.db2.gz ZUKAGHHPJPBDKK-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC(C)(C)C1 ZINC000876726397 590232765 /nfs/dbraw/zinc/23/27/65/590232765.db2.gz ZUKAGHHPJPBDKK-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000876747728 590236863 /nfs/dbraw/zinc/23/68/63/590236863.db2.gz KZEIFEDBFCSBJR-VXGBXAGGSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000876757064 590238581 /nfs/dbraw/zinc/23/85/81/590238581.db2.gz AXIYSRKYJXFBGT-RYUDHWBXSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000876757064 590238583 /nfs/dbraw/zinc/23/85/83/590238583.db2.gz AXIYSRKYJXFBGT-RYUDHWBXSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)c([O-])c1 ZINC000876757065 590238739 /nfs/dbraw/zinc/23/87/39/590238739.db2.gz AXIYSRKYJXFBGT-VXGBXAGGSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)c([O-])c1 ZINC000876757065 590238741 /nfs/dbraw/zinc/23/87/41/590238741.db2.gz AXIYSRKYJXFBGT-VXGBXAGGSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000876783252 590240241 /nfs/dbraw/zinc/24/02/41/590240241.db2.gz XUJXDEYIZXDDHN-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000876783252 590240242 /nfs/dbraw/zinc/24/02/42/590240242.db2.gz XUJXDEYIZXDDHN-CYBMUJFWSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)CCOCC1CC1 ZINC000876784270 590240561 /nfs/dbraw/zinc/24/05/61/590240561.db2.gz CPYLTMGHNSOQFH-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)CCOCC1CC1 ZINC000876784270 590240562 /nfs/dbraw/zinc/24/05/62/590240562.db2.gz CPYLTMGHNSOQFH-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876807117 590244779 /nfs/dbraw/zinc/24/47/79/590244779.db2.gz YVGRSSVJFHEHKI-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876807117 590244781 /nfs/dbraw/zinc/24/47/81/590244781.db2.gz YVGRSSVJFHEHKI-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN CCCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876887563 590254462 /nfs/dbraw/zinc/25/44/62/590254462.db2.gz BDRROYHINHEBIN-UHFFFAOYSA-N 0 3 207.317 2.980 20 10 BFCDHN Cc1cccc(CNCc2c(C)cccc2O)n1 ZINC000876937373 590259052 /nfs/dbraw/zinc/25/90/52/590259052.db2.gz VAOXCAPPBLRIAZ-UHFFFAOYSA-N 0 3 242.322 2.694 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)C2(C)CC2)c([O-])c1 ZINC000876976510 590263408 /nfs/dbraw/zinc/26/34/08/590263408.db2.gz MGPDKXXKDZWPLF-LLVKDONJSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ncc(C[NH2+]Cc2ccc(C)cc2[O-])s1 ZINC000877019559 590270101 /nfs/dbraw/zinc/27/01/01/590270101.db2.gz OHFQRYLEIRUOLR-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN Cc1ccc(C[NH2+]C2CCSCC2)c([O-])c1 ZINC000877023142 590270279 /nfs/dbraw/zinc/27/02/79/590270279.db2.gz FVKIIHLUFPFGOJ-UHFFFAOYSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC1CC1 ZINC000877072240 590271601 /nfs/dbraw/zinc/27/16/01/590271601.db2.gz JACVKBGORUPWDH-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN Cc1ccc(C[NH2+]CC2(C)CCC2)c([O-])c1 ZINC000877078984 590279443 /nfs/dbraw/zinc/27/94/43/590279443.db2.gz MKRASEZTJPXDPX-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000877094801 590282094 /nfs/dbraw/zinc/28/20/94/590282094.db2.gz TVUPRTNTWSYSDU-OLZOCXBDSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000877105995 590284836 /nfs/dbraw/zinc/28/48/36/590284836.db2.gz OUVVMJVXGKUSCG-NSHDSACASA-N 0 3 241.281 2.978 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)C2CCC2)c([O-])c1 ZINC000877124348 590289505 /nfs/dbraw/zinc/28/95/05/590289505.db2.gz VQRCESAXYRGXRG-LLVKDONJSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000877126442 590289933 /nfs/dbraw/zinc/28/99/33/590289933.db2.gz KNLOBIKUPAVNTC-VXGBXAGGSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1ccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000877126346 590290171 /nfs/dbraw/zinc/29/01/71/590290171.db2.gz IPTUIMIJHPYGMW-VXGBXAGGSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1ccc(CN2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000877166153 590294787 /nfs/dbraw/zinc/29/47/87/590294787.db2.gz XHUXKZOXVZLNBY-OAHLLOKOSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1cccc(O)c1CN1CCO[C@@H](C(C)C)C1 ZINC000877165782 590294830 /nfs/dbraw/zinc/29/48/30/590294830.db2.gz QHJNZLLSYKZUHP-OAHLLOKOSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000877182810 590298109 /nfs/dbraw/zinc/29/81/09/590298109.db2.gz SKOVVJXWUBNNLE-JSGCOSHPSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000877459985 590331703 /nfs/dbraw/zinc/33/17/03/590331703.db2.gz QFBCUFKMBVDIRI-PWSUYJOCSA-N 0 3 219.328 2.979 20 10 BFCDHN CCSCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877498081 590341512 /nfs/dbraw/zinc/34/15/12/590341512.db2.gz KFHXKSPALUTQLT-UHFFFAOYSA-N 0 3 239.384 2.933 20 10 BFCDHN Cc1ccc(C[NH2+]CC2CC(F)(F)C2)c([O-])c1 ZINC000877543335 590351668 /nfs/dbraw/zinc/35/16/68/590351668.db2.gz DNNRFWGQGNYICQ-UHFFFAOYSA-N 0 3 241.281 2.836 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000877565846 590360576 /nfs/dbraw/zinc/36/05/76/590360576.db2.gz RZCODHYVKLFCET-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000877565846 590360578 /nfs/dbraw/zinc/36/05/78/590360578.db2.gz RZCODHYVKLFCET-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC[C@@H]1CCOC1 ZINC000877572083 590362981 /nfs/dbraw/zinc/36/29/81/590362981.db2.gz BDVHGTZSHNEACI-CYBMUJFWSA-N 0 3 249.354 2.607 20 10 BFCDHN COC1([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877590958 590369070 /nfs/dbraw/zinc/36/90/70/590369070.db2.gz MEXVMLHZMBJNMY-GFCCVEGCSA-N 0 3 249.354 2.748 20 10 BFCDHN COC1CC(CC[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877619637 590376113 /nfs/dbraw/zinc/37/61/13/590376113.db2.gz HAAPRILAKPSMNZ-UHFFFAOYSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+][C@@]2(C)CC2(C)C)c([O-])c1 ZINC000877637998 590381553 /nfs/dbraw/zinc/38/15/53/590381553.db2.gz QTOKRKOJBXOCBZ-AWEZNQCLSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CC1(F)F ZINC000877646493 590383764 /nfs/dbraw/zinc/38/37/64/590383764.db2.gz JAHVZXOGXWRPGO-SNVBAGLBSA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1ccc(C[NH2+]CC2CC(C)C2)c([O-])c1 ZINC000877646304 590384091 /nfs/dbraw/zinc/38/40/91/590384091.db2.gz GHKBLHCSDUTBDC-UHFFFAOYSA-N 0 3 219.328 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000877647528 590384246 /nfs/dbraw/zinc/38/42/46/590384246.db2.gz DQTNHOYTQDCLHZ-ZDUSSCGKSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1cccc(C[NH2+]CC(C)(C)F)c1[O-] ZINC000877663736 590388827 /nfs/dbraw/zinc/38/88/27/590388827.db2.gz XVJHOXBMTBFKLK-UHFFFAOYSA-N 0 3 211.280 2.538 20 10 BFCDHN Cc1cccc(CNCC(C)(C)F)c1O ZINC000877663736 590388830 /nfs/dbraw/zinc/38/88/30/590388830.db2.gz XVJHOXBMTBFKLK-UHFFFAOYSA-N 0 3 211.280 2.538 20 10 BFCDHN CC[C@H](C)[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703162 590395396 /nfs/dbraw/zinc/39/53/96/590395396.db2.gz UGIBWTHRTLIYAD-NHYWBVRUSA-N 0 3 249.354 2.769 20 10 BFCDHN CC[C@H](C)[C@H](C[N@H+]1Cc2cccc([O-])c2C1)OC ZINC000877703162 590395398 /nfs/dbraw/zinc/39/53/98/590395398.db2.gz UGIBWTHRTLIYAD-NHYWBVRUSA-N 0 3 249.354 2.769 20 10 BFCDHN Cc1cccc(CN[C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000877703416 590396308 /nfs/dbraw/zinc/39/63/08/590396308.db2.gz IBZBXQYXNPBGCY-NXEZZACHSA-N 0 3 245.244 2.741 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1[O-] ZINC000877703416 590396310 /nfs/dbraw/zinc/39/63/10/590396310.db2.gz IBZBXQYXNPBGCY-NXEZZACHSA-N 0 3 245.244 2.741 20 10 BFCDHN CCOc1cccc(CN2CC(C)(C)C2)c1O ZINC000877717375 590399025 /nfs/dbraw/zinc/39/90/25/590399025.db2.gz KHFVXVUTFDGBFM-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877740733 590409957 /nfs/dbraw/zinc/40/99/57/590409957.db2.gz TTWAKGDPYDLCTA-QWHCGFSZSA-N 0 3 249.379 2.577 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877740733 590409960 /nfs/dbraw/zinc/40/99/60/590409960.db2.gz TTWAKGDPYDLCTA-QWHCGFSZSA-N 0 3 249.379 2.577 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1[O-] ZINC000877755485 590416613 /nfs/dbraw/zinc/41/66/13/590416613.db2.gz CMHGRIPQVGLQHB-GMTAPVOTSA-N 0 3 205.301 2.699 20 10 BFCDHN CC(C)OC1CC([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755577 590417000 /nfs/dbraw/zinc/41/70/00/590417000.db2.gz GBEFJYFUHAIUJT-PNESKVBLSA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000877757114 590417941 /nfs/dbraw/zinc/41/79/41/590417941.db2.gz HBQISUXOPIGBMH-AVGNSLFASA-N 0 3 249.354 2.858 20 10 BFCDHN CC(C)OC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755753 590417998 /nfs/dbraw/zinc/41/79/98/590417998.db2.gz LWMPQSAOOWCXOZ-NWDGAFQWSA-N 0 3 237.343 2.856 20 10 BFCDHN C=C/C=C/CC[N@@H+](C)Cc1ccccc1[O-] ZINC000878242456 590527875 /nfs/dbraw/zinc/52/78/75/590527875.db2.gz RPTRUOFIGICRGO-SNAWJCMRSA-N 0 3 217.312 2.956 20 10 BFCDHN C=C/C=C/CC[N@H+](C)Cc1ccccc1[O-] ZINC000878242456 590527876 /nfs/dbraw/zinc/52/78/76/590527876.db2.gz RPTRUOFIGICRGO-SNAWJCMRSA-N 0 3 217.312 2.956 20 10 BFCDHN Cc1ccncc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000128483613 591090725 /nfs/dbraw/zinc/09/07/25/591090725.db2.gz PESATLUNCFOXEM-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN COC[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000883317208 591614186 /nfs/dbraw/zinc/61/41/86/591614186.db2.gz XUDVXVXLGKXYNX-XBXGTLAGSA-N 0 3 249.354 2.524 20 10 BFCDHN CCOC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000132462987 591710225 /nfs/dbraw/zinc/71/02/25/591710225.db2.gz DBHNSAQYVJEJHR-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H](C)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000132519171 591714846 /nfs/dbraw/zinc/71/48/46/591714846.db2.gz KNKIAOPUGSUHNS-JTQLQIEISA-N 0 3 223.316 2.631 20 10 BFCDHN CC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000132519171 591714848 /nfs/dbraw/zinc/71/48/48/591714848.db2.gz KNKIAOPUGSUHNS-JTQLQIEISA-N 0 3 223.316 2.631 20 10 BFCDHN CSCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000132555632 591718493 /nfs/dbraw/zinc/71/84/93/591718493.db2.gz XIUYBDJCRCYKIB-UHFFFAOYSA-N 0 3 245.775 2.807 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000133140820 591767791 /nfs/dbraw/zinc/76/77/91/591767791.db2.gz OGHHFCPSEKUNKW-LBPRGKRZSA-N 0 3 205.301 2.670 20 10 BFCDHN COc1cccc(C[N@H+](C)CCC(C)C)c1[O-] ZINC000133559848 591825068 /nfs/dbraw/zinc/82/50/68/591825068.db2.gz ISAITROPPNYNTA-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc(C[N@@H+](C)CCC(C)C)c1[O-] ZINC000133559848 591825070 /nfs/dbraw/zinc/82/50/70/591825070.db2.gz ISAITROPPNYNTA-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000135186051 591994697 /nfs/dbraw/zinc/99/46/97/591994697.db2.gz OWMNCZZKMLECQD-JQWIXIFHSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc(O)c(CNCc2cc(C)co2)c1 ZINC000885985963 592122321 /nfs/dbraw/zinc/12/23/21/592122321.db2.gz VRJIJCMLQPTKQD-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN CC(C)C(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000308844911 631691620 /nfs/dbraw/zinc/69/16/20/631691620.db2.gz LUHTXRGWIIBSFQ-UHFFFAOYSA-N 0 3 207.317 2.916 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CCCO1)CC2 ZINC000310845401 633010058 /nfs/dbraw/zinc/01/00/58/633010058.db2.gz LIVPRMQXJYUTHC-OLZOCXBDSA-N 0 3 247.338 2.538 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1CC(C(F)F)C1 ZINC000310006199 634062341 /nfs/dbraw/zinc/06/23/41/634062341.db2.gz GUDBRKHSCKXHAT-UHFFFAOYSA-N 0 3 227.254 2.526 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000310004688 634066462 /nfs/dbraw/zinc/06/64/62/634066462.db2.gz GDQWCVGYZFEEHF-ZDUSSCGKSA-N 0 3 217.312 2.815 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccccc1[O-] ZINC000191634141 634219047 /nfs/dbraw/zinc/21/90/47/634219047.db2.gz VRPYIVCUWVQGTP-DMDPSCGWSA-N 0 3 237.343 2.856 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CCCC1CC1 ZINC000226610709 635439191 /nfs/dbraw/zinc/43/91/91/635439191.db2.gz GCKZVKTZDVLCJB-UHFFFAOYSA-N 0 3 223.291 2.811 20 10 BFCDHN CO[C@H](C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000310582593 636267040 /nfs/dbraw/zinc/26/70/40/636267040.db2.gz RSLNUFPGIIPAGV-NXEZZACHSA-N 0 3 241.306 2.607 20 10 BFCDHN CC[C@@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000322987083 636885716 /nfs/dbraw/zinc/88/57/16/636885716.db2.gz CBVHXLCTKOTERI-FZMZJTMJSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040672175 636935703 /nfs/dbraw/zinc/93/57/03/636935703.db2.gz SSLXAEKQZHTVJG-OCCSQVGLSA-N 0 3 248.370 2.527 20 10 BFCDHN CCOc1ccc(C[NH2+]C/C=C/Cl)c([O-])c1 ZINC000898436909 637041885 /nfs/dbraw/zinc/04/18/85/637041885.db2.gz WUBBEWFCSRFDKV-ZZXKWVIFSA-N 0 3 241.718 2.633 20 10 BFCDHN C[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCO1 ZINC000311092420 639398591 /nfs/dbraw/zinc/39/85/91/639398591.db2.gz RCSCXKPOQWEDQH-SWLSCSKDSA-N 0 3 247.338 2.538 20 10 BFCDHN C[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCO1 ZINC000311092421 639399134 /nfs/dbraw/zinc/39/91/34/639399134.db2.gz RCSCXKPOQWEDQH-WFASDCNBSA-N 0 3 247.338 2.538 20 10 BFCDHN COc1ccc(CNCc2occc2C)c(O)c1 ZINC000311123821 639926585 /nfs/dbraw/zinc/92/65/85/639926585.db2.gz PGFPUQAXZGOXEW-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN CC(C)COCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000167440019 640721662 /nfs/dbraw/zinc/72/16/62/640721662.db2.gz GCKVYHJYALBQAT-GFCCVEGCSA-N 0 3 237.343 2.715 20 10 BFCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccnc1 ZINC000226583589 640777998 /nfs/dbraw/zinc/77/79/98/640777998.db2.gz LEJCFIPOSFXSDF-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN CCC[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582722 640778305 /nfs/dbraw/zinc/77/83/05/640778305.db2.gz QJWNDZXKNZVOLS-SECBINFHSA-N 0 3 211.280 2.810 20 10 BFCDHN CSCC[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610923 640778613 /nfs/dbraw/zinc/77/86/13/640778613.db2.gz XJLFDDYKAOKXMO-VIFPVBQESA-N 0 3 243.347 2.763 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304626271 643136966 /nfs/dbraw/zinc/13/69/66/643136966.db2.gz UVYFBPKDDPBIBR-UHTWSYAYSA-N 0 3 217.312 2.670 20 10 BFCDHN COC1(C[NH2+][C@H](C)c2ccccc2[O-])CCC1 ZINC000183719717 643160060 /nfs/dbraw/zinc/16/00/60/643160060.db2.gz QOJLEUSQYWGPBZ-LLVKDONJSA-N 0 3 235.327 2.612 20 10 BFCDHN COC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000186509484 643855730 /nfs/dbraw/zinc/85/57/30/643855730.db2.gz PKWGECMQLWHFIG-LBPRGKRZSA-N 0 3 249.354 2.920 20 10 BFCDHN C[C@@H](NCCc1ccc(N)cc1)c1nccs1 ZINC000080310353 644247648 /nfs/dbraw/zinc/24/76/48/644247648.db2.gz UCVQOMSROSJZQG-SNVBAGLBSA-N 0 3 247.367 2.619 20 10 BFCDHN CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000087012708 644455913 /nfs/dbraw/zinc/45/59/13/644455913.db2.gz XQXQRFWYWVUNFG-FZMZJTMJSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](CCO)C2CC2)c([O-])c1 ZINC000756740016 644629132 /nfs/dbraw/zinc/62/91/32/644629132.db2.gz PKUXNNOGUZSWRT-SMDDNHRTSA-N 0 3 249.354 2.512 20 10 BFCDHN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783519486 644756322 /nfs/dbraw/zinc/75/63/22/644756322.db2.gz LRWKRPJDOHIFBZ-AGIUHOORSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccccc1[O-] ZINC000783516337 644756654 /nfs/dbraw/zinc/75/66/54/644756654.db2.gz GXUCFPUCSTUWPM-OLZOCXBDSA-N 0 3 248.370 2.527 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1[O-] ZINC000253165031 644939939 /nfs/dbraw/zinc/93/99/39/644939939.db2.gz YQIFGXBNIOBOQJ-OBJOEFQTSA-N 0 3 249.354 2.736 20 10 BFCDHN C[C@@H]1CN(Cc2ccccc2O)C2(CCC2)CO1 ZINC000846067015 645397414 /nfs/dbraw/zinc/39/74/14/645397414.db2.gz LMIMPUWWNDATGV-GFCCVEGCSA-N 0 3 247.338 2.536 20 10 BFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C2(CCC2)CO1 ZINC000846067015 645397423 /nfs/dbraw/zinc/39/74/23/645397423.db2.gz LMIMPUWWNDATGV-GFCCVEGCSA-N 0 3 247.338 2.536 20 10 BFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C2(CCC2)CO1 ZINC000846067015 645397429 /nfs/dbraw/zinc/39/74/29/645397429.db2.gz LMIMPUWWNDATGV-GFCCVEGCSA-N 0 3 247.338 2.536 20 10 BFCDHN CCC[C@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000927021208 645521739 /nfs/dbraw/zinc/52/17/39/645521739.db2.gz MIEVZDFVTVUKHJ-STQMWFEESA-N 0 3 249.354 2.520 20 10 BFCDHN CCC1C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC000877578746 645800008 /nfs/dbraw/zinc/80/00/08/645800008.db2.gz HHRGKASOWHWSKQ-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000161351617 711811231 /nfs/dbraw/zinc/81/12/31/711811231.db2.gz SUADYFWVVTUKJX-QWRGUYRKSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000161351617 711811232 /nfs/dbraw/zinc/81/12/32/711811232.db2.gz SUADYFWVVTUKJX-QWRGUYRKSA-N 0 3 205.301 2.623 20 10 BFCDHN CSC1(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877484710 712631261 /nfs/dbraw/zinc/63/12/61/712631261.db2.gz LVHPPNNDLFWHOQ-UHFFFAOYSA-N 0 3 237.368 2.686 20 10 BFCDHN C/C=C/C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000384897715 712704407 /nfs/dbraw/zinc/70/44/07/712704407.db2.gz MUGOXIKBIBZNGL-SGUJLRQBSA-N 0 3 205.301 2.927 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000381547067 710654638 /nfs/dbraw/zinc/65/46/38/710654638.db2.gz KWJZERCTJZORLP-OLZOCXBDSA-N 0 3 217.312 2.670 20 10 BFCDHN C[C@@H]([NH2+]CC[C@H](C)F)c1cc(F)ccc1[O-] ZINC000382173597 710804545 /nfs/dbraw/zinc/80/45/45/710804545.db2.gz XETMBLSEXDVVCA-DTWKUNHWSA-N 0 3 229.270 2.930 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000384585771 710921751 /nfs/dbraw/zinc/92/17/51/710921751.db2.gz LLXOGXDFCWNGNM-AUZPSNTRSA-N 0 3 249.354 2.999 20 10 BFCDHN C/C=C\C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000384856538 710997763 /nfs/dbraw/zinc/99/77/63/710997763.db2.gz LZKNGGZQMCSVTC-ARJAWSKDSA-N 0 3 241.718 2.720 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000385919228 711019392 /nfs/dbraw/zinc/01/93/92/711019392.db2.gz JBJPEZBXBPKXOG-GIPNMCIBSA-N 0 3 235.327 2.535 20 10 BFCDHN C[C@H]([NH2+]CCCCF)c1cc(F)ccc1[O-] ZINC000390632504 711128961 /nfs/dbraw/zinc/12/89/61/711128961.db2.gz IVJGKGSKSOEGBI-VIFPVBQESA-N 0 3 229.270 2.932 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCC2(CO)CC2)c([O-])c1 ZINC000395923180 711217761 /nfs/dbraw/zinc/21/77/61/711217761.db2.gz FYIYSMAMBBWZBV-GFCCVEGCSA-N 0 3 249.354 2.514 20 10 BFCDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CC=CCC1 ZINC000398261927 711406129 /nfs/dbraw/zinc/40/61/29/711406129.db2.gz VEAIBSUXMZTBNK-CQSZACIVSA-N 0 3 217.312 2.981 20 10 BFCDHN CC[C@@H]1C[NH+](Cc2ccccc2[O-])C[C@@H](CC)O1 ZINC000398765574 711414903 /nfs/dbraw/zinc/41/49/03/711414903.db2.gz GOTWZQIEYNPXSN-ZIAGYGMSSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381382307 710630819 /nfs/dbraw/zinc/63/08/19/710630819.db2.gz LPOKWNDJTKIYTO-YUSALJHKSA-N 0 3 217.312 2.768 20 10 BFCDHN C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381382303 710630870 /nfs/dbraw/zinc/63/08/70/710630870.db2.gz LPOKWNDJTKIYTO-JLLWLGSASA-N 0 3 217.312 2.768 20 10 BFCDHN C[C@@H](F)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000382173601 710803819 /nfs/dbraw/zinc/80/38/19/710803819.db2.gz XETMBLSEXDVVCA-RKDXNWHRSA-N 0 3 229.270 2.930 20 10 BFCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccn1 ZINC000391176750 711137264 /nfs/dbraw/zinc/13/72/64/711137264.db2.gz GXHNILSUQAWPIH-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CO1 ZINC000396531691 711222345 /nfs/dbraw/zinc/22/23/45/711222345.db2.gz KYCQWDILGZLLIF-VXGBXAGGSA-N 0 3 247.338 2.537 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)c([O-])c1 ZINC000397337216 711381794 /nfs/dbraw/zinc/38/17/94/711381794.db2.gz ZNWMXCMCTJXUPZ-SWLSCSKDSA-N 0 3 249.354 2.778 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000397847354 711394062 /nfs/dbraw/zinc/39/40/62/711394062.db2.gz YFRJZYVNMMRRBV-RNJOBUHISA-N 0 3 229.323 2.768 20 10 BFCDHN COc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1[O-] ZINC000399634112 711432555 /nfs/dbraw/zinc/43/25/55/711432555.db2.gz WFOPWMJPUPKXOB-SDDRHHMPSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1[O-] ZINC000399634112 711432558 /nfs/dbraw/zinc/43/25/58/711432558.db2.gz WFOPWMJPUPKXOB-SDDRHHMPSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000399634118 711433010 /nfs/dbraw/zinc/43/30/10/711433010.db2.gz WFOPWMJPUPKXOB-TUAOUCFPSA-N 0 3 249.354 2.877 20 10 BFCDHN COc1cccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000399634118 711433011 /nfs/dbraw/zinc/43/30/11/711433011.db2.gz WFOPWMJPUPKXOB-TUAOUCFPSA-N 0 3 249.354 2.877 20 10 BFCDHN CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccccc1[O-] ZINC000386339294 711515267 /nfs/dbraw/zinc/51/52/67/711515267.db2.gz NLRNYECLUNCJLA-DZGCQCFKSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CS1 ZINC000397870279 711759010 /nfs/dbraw/zinc/75/90/10/711759010.db2.gz SJYGOXMAKVZVCU-JLLWLGSASA-N 0 3 249.379 2.863 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000185460347 711906243 /nfs/dbraw/zinc/90/62/43/711906243.db2.gz YHEPYJKPLQDWST-CVMIBZJCSA-N 0 3 247.338 2.671 20 10 BFCDHN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccccc1[O-] ZINC000703611483 712081109 /nfs/dbraw/zinc/08/11/09/712081109.db2.gz ALIPZLKFDDDFFM-BZUNDVKYSA-N 0 3 249.354 2.736 20 10 BFCDHN CC[C@@]1(C)COCCN1Cc1cccc(C)c1O ZINC000708287053 712185393 /nfs/dbraw/zinc/18/53/93/712185393.db2.gz PKEAUGPPOLTBGF-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@]1(C)COCCN1Cc1cccc(C)c1O ZINC000708287054 712185771 /nfs/dbraw/zinc/18/57/71/712185771.db2.gz PKEAUGPPOLTBGF-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccccc1[O-] ZINC000708724525 712197689 /nfs/dbraw/zinc/19/76/89/712197689.db2.gz BPGURHFKDZNCQB-MBNYWOFBSA-N 0 3 249.354 2.858 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711474498 712304235 /nfs/dbraw/zinc/30/42/35/712304235.db2.gz FMKZNPTUXNPXMC-LLVKDONJSA-N 0 3 223.291 2.574 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711474498 712304236 /nfs/dbraw/zinc/30/42/36/712304236.db2.gz FMKZNPTUXNPXMC-LLVKDONJSA-N 0 3 223.291 2.574 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1C=CCC1)CC2 ZINC000711766802 712327431 /nfs/dbraw/zinc/32/74/31/712327431.db2.gz JKPSOTBJEBEIAR-YPMHNXCESA-N 0 3 229.323 2.935 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CCN1CC)c1ccccc1[O-] ZINC000712527824 712440949 /nfs/dbraw/zinc/44/09/49/712440949.db2.gz HDCXHHFELXZESR-GXTWGEPZSA-N 0 3 248.370 2.527 20 10 BFCDHN CC1(C)CC[C@H](C[NH2+]Cc2ccccc2[O-])OC1 ZINC000713598242 712466785 /nfs/dbraw/zinc/46/67/85/712466785.db2.gz ZGOXYBKFTLGAJP-CYBMUJFWSA-N 0 3 249.354 2.687 20 10 BFCDHN CC1(C)CCC[C@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000714355789 712483736 /nfs/dbraw/zinc/48/37/36/712483736.db2.gz ZGPCWAWKAXBADV-CYBMUJFWSA-N 0 3 249.354 2.830 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccccc1[O-] ZINC000715317740 712515789 /nfs/dbraw/zinc/51/57/89/712515789.db2.gz BDSIWDDEINWUIU-WCQYABFASA-N 0 3 217.312 2.985 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(F)ccc1[O-] ZINC000715321192 712521054 /nfs/dbraw/zinc/52/10/54/712521054.db2.gz OULOCLSPDRVBEC-PRHODGIISA-N 0 3 221.275 2.734 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)c([O-])c1 ZINC000715322915 712521096 /nfs/dbraw/zinc/52/10/96/712521096.db2.gz QYXYNHQVASOZFW-MFKMUULPSA-N 0 3 217.312 2.904 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1[O-] ZINC000379960884 712636781 /nfs/dbraw/zinc/63/67/81/712636781.db2.gz BRJNZRAQNKXLEW-VXGBXAGGSA-N 0 3 233.311 2.736 20 10 BFCDHN CC1(C)CO[C@H](CC[NH2+]Cc2ccccc2[O-])C1 ZINC000717299498 712645810 /nfs/dbraw/zinc/64/58/10/712645810.db2.gz JOIRWJWAVRSZPQ-CYBMUJFWSA-N 0 3 249.354 2.687 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCC2)c([O-])c1 ZINC000717617663 712662929 /nfs/dbraw/zinc/66/29/29/712662929.db2.gz YLGURAUVDZENKA-BXUZGUMPSA-N 0 3 249.354 2.512 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccccc1[O-] ZINC000719550662 712809247 /nfs/dbraw/zinc/80/92/47/712809247.db2.gz HRJMHKXLATTXGZ-XBFCOCLRSA-N 0 3 248.370 2.526 20 10 BFCDHN COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000720137471 712827911 /nfs/dbraw/zinc/82/79/11/712827911.db2.gz GZPZKCUMHDHNSN-MNOVXSKESA-N 0 3 237.343 2.856 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000822076428 968505914 /nfs/dbraw/zinc/50/59/14/968505914.db2.gz VUUUKMYUVSJIKU-JSGCOSHPSA-N 0 3 217.312 2.815 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCC2)c([O-])c1 ZINC000316829731 972294490 /nfs/dbraw/zinc/29/44/90/972294490.db2.gz VREFXRNJELHOCI-NHYWBVRUSA-N 0 3 249.354 2.512 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403321548 958470942 /nfs/dbraw/zinc/47/09/42/958470942.db2.gz LPIKEGLSRPQAAB-OUJBWJOFSA-N 0 3 235.302 2.810 20 10 BFCDHN Cc1cc(CNCc2cc(C)ccc2O)sn1 ZINC000404338968 959211744 /nfs/dbraw/zinc/21/17/44/959211744.db2.gz CQIWYTXWIXFYOY-UHFFFAOYSA-N 0 3 248.351 2.755 20 10 BFCDHN C[C@H]([NH2+]C1CC=CC1)c1cc(F)ccc1[O-] ZINC000164625835 959988191 /nfs/dbraw/zinc/98/81/91/959988191.db2.gz YOJSKQWXQDHDKV-VIFPVBQESA-N 0 3 221.275 2.901 20 10 BFCDHN Cc1ccc(O)c(CN2CCc3occc3C2)c1 ZINC001140622983 960466687 /nfs/dbraw/zinc/46/66/87/960466687.db2.gz KFTGUKNMXKGNBN-UHFFFAOYSA-N 0 3 243.306 2.852 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001140949871 960748661 /nfs/dbraw/zinc/74/86/61/960748661.db2.gz OBJDODROYKJUPQ-RWMBFGLXSA-N 0 3 235.302 2.633 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001140949871 960748674 /nfs/dbraw/zinc/74/86/74/960748674.db2.gz OBJDODROYKJUPQ-RWMBFGLXSA-N 0 3 235.302 2.633 20 10 BFCDHN CO[C@@H](C[NH2+]Cc1ccccc1[O-])C1CCCC1 ZINC000692916795 961322695 /nfs/dbraw/zinc/32/26/95/961322695.db2.gz WAKISORDHFYVES-HNNXBMFYSA-N 0 3 249.354 2.687 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000697715020 964503231 /nfs/dbraw/zinc/50/32/31/964503231.db2.gz ARCYBRHSSCVNKH-UHFFFAOYSA-N 0 3 235.302 2.954 20 10 BFCDHN Cc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001231845442 965288252 /nfs/dbraw/zinc/28/82/52/965288252.db2.gz ZXMQUYPFZSEWBQ-SGMGOOAPSA-N 0 3 249.329 2.799 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CCC2(CC2)CC1 ZINC001203550106 966684605 /nfs/dbraw/zinc/68/46/05/966684605.db2.gz IBWFXXIHCMYCOQ-UHFFFAOYSA-N 0 3 217.312 2.768 20 10 BFCDHN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203555703 966691786 /nfs/dbraw/zinc/69/17/86/966691786.db2.gz COGGZDKFZZTUES-AWEZNQCLSA-N 0 3 249.354 2.782 20 10 BFCDHN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC001203555703 966691792 /nfs/dbraw/zinc/69/17/92/966691792.db2.gz COGGZDKFZZTUES-AWEZNQCLSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204275571 966951746 /nfs/dbraw/zinc/95/17/46/966951746.db2.gz WIEVCNZDCCFLJW-QWRGUYRKSA-N 0 3 235.327 2.718 20 10 BFCDHN C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1C ZINC001204275571 966951753 /nfs/dbraw/zinc/95/17/53/966951753.db2.gz WIEVCNZDCCFLJW-QWRGUYRKSA-N 0 3 235.327 2.718 20 10 BFCDHN CCc1ccc(C[NH+]2CCCCC2)c([O-])c1 ZINC000473090775 968224493 /nfs/dbraw/zinc/22/44/93/968224493.db2.gz AGQBZCDWZWOZGS-UHFFFAOYSA-N 0 3 219.328 2.941 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccccc1[O-] ZINC000698334305 968335148 /nfs/dbraw/zinc/33/51/48/968335148.db2.gz VMIUVLVXRIBSOA-GHMZBOCLSA-N 0 3 203.285 2.761 20 10 BFCDHN CCCN1CCN(c2ccc(OCC)cc2)CC1 ZINC000163914715 968423025 /nfs/dbraw/zinc/42/30/25/968423025.db2.gz JCDQWFGIQBRXPX-UHFFFAOYSA-N 0 3 248.370 2.617 20 10 BFCDHN COc1cc(Cl)cc(C[NH2+]C2(C)CC2)c1[O-] ZINC000164772929 968584211 /nfs/dbraw/zinc/58/42/11/968584211.db2.gz XJEXHSGCOGHBIX-UHFFFAOYSA-N 0 3 241.718 2.696 20 10 BFCDHN COC(C)(C)CC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209410434 969477173 /nfs/dbraw/zinc/47/71/73/969477173.db2.gz QBABXKKHPQCLHL-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN COC(C)(C)CC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209410434 969477179 /nfs/dbraw/zinc/47/71/79/969477179.db2.gz QBABXKKHPQCLHL-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[O-] ZINC001172219118 974449652 /nfs/dbraw/zinc/44/96/52/974449652.db2.gz KIMFRBCMFPYJGV-ODWCKFRGSA-N 0 3 247.338 2.753 20 10 BFCDHN Cc1ccc(C[NH2+]CCC2CCOCC2)c([O-])c1 ZINC001331059578 974583032 /nfs/dbraw/zinc/58/30/32/974583032.db2.gz UPSIMSHUGXDKCE-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173269304 975138697 /nfs/dbraw/zinc/13/86/97/975138697.db2.gz VEZXRHSUUXEZIN-PWSUYJOCSA-N 0 3 235.327 2.766 20 10 BFCDHN COc1cc(C)cc(CNC(C)(C)CF)c1O ZINC001333705144 976011951 /nfs/dbraw/zinc/01/19/51/976011951.db2.gz MIKLTNMTWKTRSP-UHFFFAOYSA-N 0 3 241.306 2.547 20 10 BFCDHN CCc1ccc(O)c(Nc2ccncc2C)c1 ZINC001174539703 976828190 /nfs/dbraw/zinc/82/81/90/976828190.db2.gz PYDQGMVXDDITGG-UHFFFAOYSA-N 0 3 228.295 2.824 20 10 BFCDHN Cc1cnccc1Nc1cc(F)cc(F)c1O ZINC001174538803 976828842 /nfs/dbraw/zinc/82/88/42/976828842.db2.gz RGLQUOUJHPULNU-UHFFFAOYSA-N 0 3 236.221 2.539 20 10 BFCDHN Cc1cnccc1Nc1c(O)cccc1Cl ZINC001174540069 976831482 /nfs/dbraw/zinc/83/14/82/976831482.db2.gz TVXZEERJWXTZEU-UHFFFAOYSA-N 0 3 234.686 2.915 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000691570870 977158346 /nfs/dbraw/zinc/15/83/46/977158346.db2.gz QPFRCUXGNOGCSV-JTQLQIEISA-N 0 3 227.254 2.527 20 10 BFCDHN Cc1cc(C)c(CN2CCC[C@H](F)C2)c(O)c1 ZINC001231845988 977759278 /nfs/dbraw/zinc/75/92/78/977759278.db2.gz WXWNVIIUABICQE-LBPRGKRZSA-N 0 3 237.318 2.943 20 10 BFCDHN Cc1cc(C)c(CN2CC[C@@H](F)C2)c(O)c1 ZINC001231843349 977760809 /nfs/dbraw/zinc/76/08/09/977760809.db2.gz WOHNVXKXXPTGJL-LLVKDONJSA-N 0 3 223.291 2.553 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001204276994 978928644 /nfs/dbraw/zinc/92/86/44/978928644.db2.gz VDUBMMRYMXDINA-VXGBXAGGSA-N 0 3 247.338 2.720 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001204276994 978928648 /nfs/dbraw/zinc/92/86/48/978928648.db2.gz VDUBMMRYMXDINA-VXGBXAGGSA-N 0 3 247.338 2.720 20 10 BFCDHN COc1cc(C)c(C[NH2+][C@H]2CC2(C)C)c([O-])c1 ZINC001182310011 979494461 /nfs/dbraw/zinc/49/44/61/979494461.db2.gz SIMOUXVYEIXDSI-ZDUSSCGKSA-N 0 3 235.327 2.597 20 10 BFCDHN CCc1ccc(C[N@@H+](CC)C2CC2)c([O-])c1 ZINC001236784375 979732088 /nfs/dbraw/zinc/73/20/88/979732088.db2.gz VJSFIXRFONOUFG-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1ccc(C[N@H+](CC)C2CC2)c([O-])c1 ZINC001236784375 979732097 /nfs/dbraw/zinc/73/20/97/979732097.db2.gz VJSFIXRFONOUFG-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236826721 979744233 /nfs/dbraw/zinc/74/42/33/979744233.db2.gz LZICKQVIRCSBLA-OKILXGFUSA-N 0 3 239.318 2.997 20 10 BFCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236826721 979744238 /nfs/dbraw/zinc/74/42/38/979744238.db2.gz LZICKQVIRCSBLA-OKILXGFUSA-N 0 3 239.318 2.997 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)CC2CCC2)c([O-])c1 ZINC001236812418 979746549 /nfs/dbraw/zinc/74/65/49/979746549.db2.gz DURQHNIVJVSPCY-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)CC2CCC2)c([O-])c1 ZINC001236812418 979746557 /nfs/dbraw/zinc/74/65/57/979746557.db2.gz DURQHNIVJVSPCY-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN CC(=O)[C@H]1CCCCN1Cc1c(C)cccc1O ZINC001237491798 979914594 /nfs/dbraw/zinc/91/45/94/979914594.db2.gz MNINLIQVDTUDON-CQSZACIVSA-N 0 3 247.338 2.644 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@@H](C)C1 ZINC001237490914 979916671 /nfs/dbraw/zinc/91/66/71/979916671.db2.gz JHYZUEKIKDEIEA-QWHCGFSZSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@@H](C)C1 ZINC001237490914 979916678 /nfs/dbraw/zinc/91/66/78/979916678.db2.gz JHYZUEKIKDEIEA-QWHCGFSZSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC001238071331 980136055 /nfs/dbraw/zinc/13/60/55/980136055.db2.gz VSPLRYRDLYUPMX-BETUJISGSA-N 0 3 249.329 2.928 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC001238071331 980136063 /nfs/dbraw/zinc/13/60/63/980136063.db2.gz VSPLRYRDLYUPMX-BETUJISGSA-N 0 3 249.329 2.928 20 10 BFCDHN COc1ccc(C[N@@H+]2CCC23CCCC3)c([O-])c1 ZINC001203621652 980266405 /nfs/dbraw/zinc/26/64/05/980266405.db2.gz FUPOXFWVKQPQHW-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN COc1ccc(C[N@H+]2CCC23CCCC3)c([O-])c1 ZINC001203621652 980266411 /nfs/dbraw/zinc/26/64/11/980266411.db2.gz FUPOXFWVKQPQHW-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000877607778 983956854 /nfs/dbraw/zinc/95/68/54/983956854.db2.gz LLGRKOPXPZWAFA-MRVWCRGKSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1ccc(C[N@@H+](C)C(C)(C)C)c([O-])c1 ZINC000877607754 983957241 /nfs/dbraw/zinc/95/72/41/983957241.db2.gz KTYFTPZOBYMJNU-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN Cc1ccc(C[N@H+](C)C(C)(C)C)c([O-])c1 ZINC000877607754 983957247 /nfs/dbraw/zinc/95/72/47/983957247.db2.gz KTYFTPZOBYMJNU-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN Cc1n[nH]c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000718335843 984433057 /nfs/dbraw/zinc/43/30/57/984433057.db2.gz GDUHDWIPYHQWLO-SECBINFHSA-N 0 3 245.326 2.583 20 10 BFCDHN C=C/C=C\CC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001462560477 986434250 /nfs/dbraw/zinc/43/42/50/986434250.db2.gz ZCTNYEGJDJZYGN-WAYWQWQTSA-N 0 3 247.338 2.931 20 10 BFCDHN CC1([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC001117831306 987945660 /nfs/dbraw/zinc/94/56/60/987945660.db2.gz MCDJOMSAICCYBN-SNVBAGLBSA-N 0 3 203.285 2.522 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001326338684 989505206 /nfs/dbraw/zinc/50/52/06/989505206.db2.gz JGXRTCKTNXQLMQ-ZYHUDNBSSA-N 0 3 241.281 2.902 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2C[C@H](C)C[C@H]2C)c([O-])c1 ZINC001308569421 991039801 /nfs/dbraw/zinc/03/98/01/991039801.db2.gz IBYURCJAXNEDPG-ZYHUDNBSSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+]2C[C@H](C)C[C@H]2C)c([O-])c1 ZINC001308569421 991039807 /nfs/dbraw/zinc/03/98/07/991039807.db2.gz IBYURCJAXNEDPG-ZYHUDNBSSA-N 0 3 249.354 2.940 20 10 BFCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001308766847 991125960 /nfs/dbraw/zinc/12/59/60/991125960.db2.gz ONHJNLMSMFZZGY-NEPJUHHUSA-N 0 3 249.354 2.845 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])CC1(CC)COC1 ZINC001202964522 991339185 /nfs/dbraw/zinc/33/91/85/991339185.db2.gz NJRWJGLYAJIXPR-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])CC1(CC)COC1 ZINC001202964522 991339194 /nfs/dbraw/zinc/33/91/94/991339194.db2.gz NJRWJGLYAJIXPR-UHFFFAOYSA-N 0 3 249.354 2.641 20 10 BFCDHN Cc1ccc(C)c(CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC001140180702 991548656 /nfs/dbraw/zinc/54/86/56/991548656.db2.gz OGNZSRQUKUAVMM-BETUJISGSA-N 0 3 249.354 2.618 20 10 BFCDHN Cc1ccc(C)c(CN2C[C@@H](C)OC[C@@H]2C)c1O ZINC001140184693 991557288 /nfs/dbraw/zinc/55/72/88/991557288.db2.gz FBYXTYIJRRPHNB-QWHCGFSZSA-N 0 3 249.354 2.618 20 10 BFCDHN C[C@@H]([NH2+]C1(C)CC1)c1cc(F)ccc1[O-] ZINC001321036590 992438082 /nfs/dbraw/zinc/43/80/82/992438082.db2.gz BFIQOTPITOJDRK-MRVPVSSYSA-N 0 3 209.264 2.734 20 10 BFCDHN CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000379919126 993293409 /nfs/dbraw/zinc/29/34/09/993293409.db2.gz GBESBTWEGLGKSM-APPZFPTMSA-N 0 3 209.264 2.689 20 10 BFCDHN COc1ccc(CNC(C)(C)CF)cc1C ZINC000381373083 993389698 /nfs/dbraw/zinc/38/96/98/993389698.db2.gz IZBXNWFRZKTSRE-UHFFFAOYSA-N 0 3 225.307 2.841 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC2CCC1CC2 ZINC000383703310 993514607 /nfs/dbraw/zinc/51/46/07/993514607.db2.gz SLICLQWEBQDIKY-UHFFFAOYSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC2CCC1CC2 ZINC000383703310 993514614 /nfs/dbraw/zinc/51/46/14/993514614.db2.gz SLICLQWEBQDIKY-UHFFFAOYSA-N 0 3 235.302 2.906 20 10 BFCDHN C[C@H]([NH2+]Cc1ccnc(F)c1)c1ccccc1[O-] ZINC001308010513 995520600 /nfs/dbraw/zinc/52/06/00/995520600.db2.gz QJFQIXHPHULOTA-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)C2)cc1C ZINC000263657757 178194622 /nfs/dbraw/zinc/19/46/22/178194622.db2.gz CHTROGNHKKIVNI-JTQLQIEISA-N 0 3 219.328 2.851 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)C2)cc1C ZINC000263657757 178194624 /nfs/dbraw/zinc/19/46/24/178194624.db2.gz CHTROGNHKKIVNI-JTQLQIEISA-N 0 3 219.328 2.851 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]Cc2ccn(C)c2)cc1C ZINC000267122052 178197495 /nfs/dbraw/zinc/19/74/95/178197495.db2.gz UGTYBBWOIGUKOX-UHFFFAOYSA-N 0 3 244.338 2.637 20 10 BFCDHN CCOc1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1[O-] ZINC000134228298 398242425 /nfs/dbraw/zinc/24/24/25/398242425.db2.gz PMAMWEHZEKBVBH-ZYHUDNBSSA-N 0 3 235.327 2.537 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000035733336 342890981 /nfs/dbraw/zinc/89/09/81/342890981.db2.gz KQCOTRDNGRTBAZ-ZJUUUORDSA-N 0 3 205.301 2.841 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccccc1[O-] ZINC000128220500 398339691 /nfs/dbraw/zinc/33/96/91/398339691.db2.gz OVQWBYLTXNYZFZ-UBHSHLNASA-N 0 3 249.354 2.592 20 10 BFCDHN Cc1ccc(O)c(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000133102832 398341335 /nfs/dbraw/zinc/34/13/35/398341335.db2.gz CSFMQRDBRIBUCH-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]([NH2+]C1CCOCC1)c1ccccc1[O-] ZINC000036319282 343315236 /nfs/dbraw/zinc/31/52/36/343315236.db2.gz NXGCRQNIAVVPAG-ZDUSSCGKSA-N 0 3 235.327 2.612 20 10 BFCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])CCS1 ZINC000179577194 346989978 /nfs/dbraw/zinc/98/99/78/346989978.db2.gz CAJCZAIESLRALJ-UHFFFAOYSA-N 0 3 237.368 2.720 20 10 BFCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])CCS1 ZINC000179577194 346989982 /nfs/dbraw/zinc/98/99/82/346989982.db2.gz CAJCZAIESLRALJ-UHFFFAOYSA-N 0 3 237.368 2.720 20 10 BFCDHN CC1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000132764774 344307281 /nfs/dbraw/zinc/30/72/81/344307281.db2.gz VRMATTOGVNGDKT-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN CC1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000132764774 344307283 /nfs/dbraw/zinc/30/72/83/344307283.db2.gz VRMATTOGVNGDKT-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1[O-] ZINC000109543256 344529666 /nfs/dbraw/zinc/52/96/66/344529666.db2.gz KICVYHKRPJTBJJ-WCQYABFASA-N 0 3 235.327 2.612 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C[C@H]1CCCO1 ZINC000124567311 345047444 /nfs/dbraw/zinc/04/74/44/345047444.db2.gz GTQDAQBMOARRHJ-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C[C@H]1CCCO1 ZINC000124567311 345047446 /nfs/dbraw/zinc/04/74/46/345047446.db2.gz GTQDAQBMOARRHJ-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000092471592 345622938 /nfs/dbraw/zinc/62/29/38/345622938.db2.gz IDBFYNPUVMOEDY-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000092471592 345622939 /nfs/dbraw/zinc/62/29/39/345622939.db2.gz IDBFYNPUVMOEDY-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN Cc1cccc(C[N@@H+](C)C2CCC2)c1[O-] ZINC000180295024 179064904 /nfs/dbraw/zinc/06/49/04/179064904.db2.gz DLDQSACFTKOYKG-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc(C[N@H+](C)C2CCC2)c1[O-] ZINC000180295024 179064906 /nfs/dbraw/zinc/06/49/06/179064906.db2.gz DLDQSACFTKOYKG-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1[O-] ZINC000162862175 179098217 /nfs/dbraw/zinc/09/82/17/179098217.db2.gz KLRIMTGQHFHPIQ-GXFFZTMASA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cccc(C[NH2+]CC[C@H]2CCCCO2)c1[O-] ZINC000227521957 179091427 /nfs/dbraw/zinc/09/14/27/179091427.db2.gz WICMAKVKMVGVLW-CQSZACIVSA-N 0 3 249.354 2.749 20 10 BFCDHN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000168824911 346744626 /nfs/dbraw/zinc/74/46/26/346744626.db2.gz DLJVOMDDUDZAEA-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000279999679 351831612 /nfs/dbraw/zinc/83/16/12/351831612.db2.gz FVPRTGVIFLBGCV-GXTWGEPZSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000271266867 188090295 /nfs/dbraw/zinc/09/02/95/188090295.db2.gz BQKJKTHZLOYLOT-QWHCGFSZSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)CF)c1[O-] ZINC000290117285 188096878 /nfs/dbraw/zinc/09/68/78/188096878.db2.gz IQGRWXMJWALSIF-QMMMGPOBSA-N 0 3 231.698 2.802 20 10 BFCDHN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000248531674 359273479 /nfs/dbraw/zinc/27/34/79/359273479.db2.gz PIZNCZPIFFVWHE-CHWSQXEVSA-N 0 3 248.370 2.527 20 10 BFCDHN CC1(C)C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296766688 364785642 /nfs/dbraw/zinc/78/56/42/364785642.db2.gz KJYZFENRKRSTIM-CMPLNLGQSA-N 0 3 217.312 2.768 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000297357220 364788443 /nfs/dbraw/zinc/78/84/43/364788443.db2.gz PNFVHEVDMPHAEB-WCQYABFASA-N 0 3 249.354 2.519 20 10 BFCDHN CCC[N@H+](CC)Cc1cc(C)ccc1[O-] ZINC000168989502 169129208 /nfs/dbraw/zinc/12/92/08/169129208.db2.gz UUONPTOFOCYELK-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN CCC[N@@H+](CC)Cc1cc(C)ccc1[O-] ZINC000168989502 169129210 /nfs/dbraw/zinc/12/92/10/169129210.db2.gz UUONPTOFOCYELK-UHFFFAOYSA-N 0 3 207.317 2.933 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccnc1)CC2 ZINC000296132477 183297486 /nfs/dbraw/zinc/29/74/86/183297486.db2.gz VVLHJJGCOMDWSB-ZDUSSCGKSA-N 0 3 240.306 2.564 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC1)CC2 ZINC000257868947 183297539 /nfs/dbraw/zinc/29/75/39/183297539.db2.gz QDUWMPZYBJFDGE-NSHDSACASA-N 0 3 203.285 2.522 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1=CCCCC1 ZINC000295210068 183302371 /nfs/dbraw/zinc/30/23/71/183302371.db2.gz ZZGZGCSAIMGORE-UHFFFAOYSA-N 0 3 217.312 2.982 20 10 BFCDHN Oc1ccccc1CNCc1cccc(F)c1F ZINC000083380270 183303035 /nfs/dbraw/zinc/30/30/35/183303035.db2.gz NLJCEAQDVXMOFY-UHFFFAOYSA-N 0 3 249.260 2.960 20 10 BFCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000069009997 169180019 /nfs/dbraw/zinc/18/00/19/169180019.db2.gz CRYDMFUCAZANCY-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000069009997 169180022 /nfs/dbraw/zinc/18/00/22/169180022.db2.gz CRYDMFUCAZANCY-AWEZNQCLSA-N 0 3 249.354 2.783 20 10 BFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)COC ZINC000076074207 169179062 /nfs/dbraw/zinc/17/90/62/169179062.db2.gz DYOAOLKFCZROIL-LBPRGKRZSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)COC ZINC000076074207 169179064 /nfs/dbraw/zinc/17/90/64/169179064.db2.gz DYOAOLKFCZROIL-LBPRGKRZSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000076274248 169265594 /nfs/dbraw/zinc/26/55/94/169265594.db2.gz HISCFJLBZOSAKS-UHFFFAOYSA-N 0 3 229.707 2.554 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCOCC2)c([O-])c1 ZINC000036308401 383897507 /nfs/dbraw/zinc/89/75/07/383897507.db2.gz RMOGIUUZAWTYBT-LLVKDONJSA-N 0 3 235.327 2.530 20 10 BFCDHN C[C@H](CCCCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296266966 384009983 /nfs/dbraw/zinc/00/99/83/384009983.db2.gz DMIOAKUXFAVNIE-NEPJUHHUSA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c([O-])c1 ZINC000038044306 384060859 /nfs/dbraw/zinc/06/08/59/384060859.db2.gz OIZQEFXCXQVGMU-OLZOCXBDSA-N 0 3 249.354 2.778 20 10 BFCDHN CSC[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000076769422 384062331 /nfs/dbraw/zinc/06/23/31/384062331.db2.gz BERDMGBRFHXDEV-JTQLQIEISA-N 0 3 225.357 2.542 20 10 BFCDHN Cc1ccc(O)c(CN[C@H](C)c2cccnc2)c1 ZINC000071406426 384166175 /nfs/dbraw/zinc/16/61/75/384166175.db2.gz VPCVAXMHCNMCNJ-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2cccnc2)c1 ZINC000071406426 384166180 /nfs/dbraw/zinc/16/61/80/384166180.db2.gz VPCVAXMHCNMCNJ-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000071406492 384166754 /nfs/dbraw/zinc/16/67/54/384166754.db2.gz RBBFENIMXLJPSQ-UHFFFAOYSA-N 0 3 231.339 2.979 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC000132484225 384233658 /nfs/dbraw/zinc/23/36/58/384233658.db2.gz CDDMZWKNOXWZIY-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1cccc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC000132484225 384233663 /nfs/dbraw/zinc/23/36/63/384233663.db2.gz CDDMZWKNOXWZIY-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN CO[C@]1(C)C[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000072926519 384238429 /nfs/dbraw/zinc/23/84/29/384238429.db2.gz BFSNYBVENUGLIL-DZGCQCFKSA-N 0 3 249.354 2.685 20 10 BFCDHN CC[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000132090770 384215903 /nfs/dbraw/zinc/21/59/03/384215903.db2.gz FOQRYBMDUJDSLN-LLVKDONJSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@@H](C)C[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000132090770 384215912 /nfs/dbraw/zinc/21/59/12/384215912.db2.gz FOQRYBMDUJDSLN-LLVKDONJSA-N 0 3 237.343 2.879 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC000132447107 384229865 /nfs/dbraw/zinc/22/98/65/384229865.db2.gz VSDCHQICGDYRLS-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC000132447107 384229871 /nfs/dbraw/zinc/22/98/71/384229871.db2.gz VSDCHQICGDYRLS-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c([O-])c1 ZINC000042814199 384248394 /nfs/dbraw/zinc/24/83/94/384248394.db2.gz SRZIWNPWELSAKA-OLZOCXBDSA-N 0 3 249.354 2.920 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1[O-] ZINC000042812026 384248418 /nfs/dbraw/zinc/24/84/18/384248418.db2.gz BHTSOAZMXHHWKU-VXGBXAGGSA-N 0 3 235.327 2.612 20 10 BFCDHN CC(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000083346650 384298646 /nfs/dbraw/zinc/29/86/46/384298646.db2.gz LLCPZZFGLYUBOB-UHFFFAOYSA-N 0 3 211.280 2.667 20 10 BFCDHN C[C@H]([NH2+]CCC1CC1)c1ccccc1[O-] ZINC000083893877 384340883 /nfs/dbraw/zinc/34/08/83/384340883.db2.gz RHLPIUZLURQTRZ-JTQLQIEISA-N 0 3 205.301 2.843 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CC2)c1 ZINC000035628485 384417965 /nfs/dbraw/zinc/41/79/65/384417965.db2.gz WCYDKIMORMIMIJ-SNVBAGLBSA-N 0 3 205.301 2.761 20 10 BFCDHN CC[C@@H](COC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000079737054 384510917 /nfs/dbraw/zinc/51/09/17/384510917.db2.gz PBKFQVAFNBWJJD-AAEUAGOBSA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)CC2CC2)c1 ZINC000122941335 384522489 /nfs/dbraw/zinc/52/24/89/384522489.db2.gz CJUOBSBFQWEFCI-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)CC2CC2)c1 ZINC000122941335 384522495 /nfs/dbraw/zinc/52/24/95/384522495.db2.gz CJUOBSBFQWEFCI-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN CCOc1cccc(C[N@H+](C)CC2CC2)c1[O-] ZINC000122910594 384523585 /nfs/dbraw/zinc/52/35/85/384523585.db2.gz RENJEDFRJWNJMT-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1cccc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000122910594 384523592 /nfs/dbraw/zinc/52/35/92/384523592.db2.gz RENJEDFRJWNJMT-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN C[C@H]([NH2+]C1CCCC1)c1ccccc1[O-] ZINC000019883424 384548938 /nfs/dbraw/zinc/54/89/38/384548938.db2.gz DUKQTDSSOKXMSS-JTQLQIEISA-N 0 3 205.301 2.985 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000186787069 384881101 /nfs/dbraw/zinc/88/11/01/384881101.db2.gz UYZJSJVUXLEGLI-MRVWCRGKSA-N 0 3 249.354 2.655 20 10 BFCDHN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186506658 384848501 /nfs/dbraw/zinc/84/85/01/384848501.db2.gz CFMWKXSKJADVCF-IJWDBEHRSA-N 0 3 249.354 2.678 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccccc1[O-] ZINC000187985862 385003732 /nfs/dbraw/zinc/00/37/32/385003732.db2.gz ZHBOVXSDBYYKAO-BZPMIXESSA-N 0 3 249.354 2.594 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(F)ccc1[O-] ZINC000164601611 385019813 /nfs/dbraw/zinc/01/98/13/385019813.db2.gz DYFZRZAFLDRZCD-KXUCPTDWSA-N 0 3 223.291 2.838 20 10 BFCDHN CSCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111414 385075536 /nfs/dbraw/zinc/07/55/36/385075536.db2.gz ISVKPNYQULUWTE-SECBINFHSA-N 0 3 243.347 2.935 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])CC[C@H]1C ZINC000188315994 385038249 /nfs/dbraw/zinc/03/82/49/385038249.db2.gz GJUDCAQDUBMJCF-BXUZGUMPSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])CC[C@H]1C ZINC000188315994 385038254 /nfs/dbraw/zinc/03/82/54/385038254.db2.gz GJUDCAQDUBMJCF-BXUZGUMPSA-N 0 3 249.354 2.557 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189282068 385141471 /nfs/dbraw/zinc/14/14/71/385141471.db2.gz ITGTUIUJSMJLQS-MBNYWOFBSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189282107 385140248 /nfs/dbraw/zinc/14/02/48/385140248.db2.gz ITGTUIUJSMJLQS-SGMGOOAPSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000051994296 385100787 /nfs/dbraw/zinc/10/07/87/385100787.db2.gz UYZJSJVUXLEGLI-XBFCOCLRSA-N 0 3 249.354 2.655 20 10 BFCDHN C[N@H+](CCOC(C)(C)C)Cc1ccccc1[O-] ZINC000109769803 385191312 /nfs/dbraw/zinc/19/13/12/385191312.db2.gz NLKDEGGRFKRQJR-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN C[N@@H+](CCOC(C)(C)C)Cc1ccccc1[O-] ZINC000109769803 385191317 /nfs/dbraw/zinc/19/13/17/385191317.db2.gz NLKDEGGRFKRQJR-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])CC1CC(F)(F)C1 ZINC000294842032 385250236 /nfs/dbraw/zinc/25/02/36/385250236.db2.gz BIIWGIVAXLCSJM-UHFFFAOYSA-N 0 3 241.281 2.869 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])CC1CC(F)(F)C1 ZINC000294842032 385250245 /nfs/dbraw/zinc/25/02/45/385250245.db2.gz BIIWGIVAXLCSJM-UHFFFAOYSA-N 0 3 241.281 2.869 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccccc1[O-] ZINC000045116132 385250626 /nfs/dbraw/zinc/25/06/26/385250626.db2.gz AJBGOEKGELMKLZ-JOYOIKCWSA-N 0 3 205.301 2.841 20 10 BFCDHN CO[C@](C)(C[NH2+]Cc1cccc(C)c1[O-])C1CC1 ZINC000291099317 385203983 /nfs/dbraw/zinc/20/39/83/385203983.db2.gz ZKNAOCJOSHSRGZ-OAHLLOKOSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccoc1CNCc1cc(C)ccc1O ZINC000291671782 385294004 /nfs/dbraw/zinc/29/40/04/385294004.db2.gz GQWCSGUSZYSVNP-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CCC2(C)CC2)c1 ZINC000280633101 385344655 /nfs/dbraw/zinc/34/46/55/385344655.db2.gz QQGHRLGYLCSWTG-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN CCC1([NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000180826913 385549027 /nfs/dbraw/zinc/54/90/27/385549027.db2.gz WQFUDADDQWDRJP-UHFFFAOYSA-N 0 3 223.291 2.954 20 10 BFCDHN CCC[C@H]1CN(Cc2cccc(C)c2O)CCO1 ZINC000180318702 385519104 /nfs/dbraw/zinc/51/91/04/385519104.db2.gz MIQYPEZKCPXMMD-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000251287585 385619666 /nfs/dbraw/zinc/61/96/66/385619666.db2.gz RDOLLKRDDIYWOE-WCFLWFBJSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])OC ZINC000290158901 385627540 /nfs/dbraw/zinc/62/75/40/385627540.db2.gz LUUBQYJXEAVVFC-MWLCHTKSSA-N 0 3 241.306 2.607 20 10 BFCDHN COC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000186153998 385750728 /nfs/dbraw/zinc/75/07/28/385750728.db2.gz QNXACFIYIGEHPC-BXUZGUMPSA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)C1CC1 ZINC000183496897 385766085 /nfs/dbraw/zinc/76/60/85/385766085.db2.gz VCMWXLZHJFZEKR-NEPJUHHUSA-N 0 3 248.370 2.526 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000285120914 385901129 /nfs/dbraw/zinc/90/11/29/385901129.db2.gz LBUMYDXHUGJMRB-QWHCGFSZSA-N 0 3 249.354 2.839 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000282633067 385932156 /nfs/dbraw/zinc/93/21/56/385932156.db2.gz GLTAXTIGYYKJBD-GFCCVEGCSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CSC2(C)C)c1 ZINC000282633070 385932254 /nfs/dbraw/zinc/93/22/54/385932254.db2.gz GLTAXTIGYYKJBD-LBPRGKRZSA-N 0 3 237.368 2.684 20 10 BFCDHN C[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1[O-] ZINC000272826122 385939404 /nfs/dbraw/zinc/93/94/04/385939404.db2.gz GSEQLRMVZYLPMI-NSHDSACASA-N 0 3 230.311 2.582 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2CCC(CF)CC2)c1 ZINC000295022241 385943412 /nfs/dbraw/zinc/94/34/12/385943412.db2.gz KTTOIVIZFINKGB-UHFFFAOYSA-N 0 3 237.318 2.882 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cnn(C)c1 ZINC000272883955 385946134 /nfs/dbraw/zinc/94/61/34/385946134.db2.gz RBERXKMICJQNGB-MNOVXSKESA-N 0 3 245.326 2.538 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C2CCOCC2)c([O-])c1C ZINC000273437582 386000633 /nfs/dbraw/zinc/00/06/33/386000633.db2.gz XNMKPSZKGFAVKM-LBPRGKRZSA-N 0 3 249.354 2.839 20 10 BFCDHN CCOCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273391030 385995891 /nfs/dbraw/zinc/99/58/91/385995891.db2.gz KQEWVOYJQZACRQ-GFCCVEGCSA-N 0 3 237.343 2.696 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CC2(C)C)c1 ZINC000263729197 386170115 /nfs/dbraw/zinc/17/01/15/386170115.db2.gz XOEDKAGBHCZVRA-CYBMUJFWSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000287612316 386138505 /nfs/dbraw/zinc/13/85/05/386138505.db2.gz SNMHCSGCPRXONJ-AGIUHOORSA-N 0 3 249.354 2.715 20 10 BFCDHN CC[C@@H](CSC)[N@H+](C)Cc1ccccc1[O-] ZINC000290425109 386434326 /nfs/dbraw/zinc/43/43/26/386434326.db2.gz KYPVUBGUVARFET-LBPRGKRZSA-N 0 3 239.384 2.966 20 10 BFCDHN CC[C@@H](CSC)[N@@H+](C)Cc1ccccc1[O-] ZINC000290425109 386434332 /nfs/dbraw/zinc/43/43/32/386434332.db2.gz KYPVUBGUVARFET-LBPRGKRZSA-N 0 3 239.384 2.966 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCSC1 ZINC000278368861 386518272 /nfs/dbraw/zinc/51/82/72/386518272.db2.gz BPNYWJJCNVAIQH-NSHDSACASA-N 0 3 237.368 2.577 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCSC1 ZINC000278368861 386518274 /nfs/dbraw/zinc/51/82/74/386518274.db2.gz BPNYWJJCNVAIQH-NSHDSACASA-N 0 3 237.368 2.577 20 10 BFCDHN Cc1cccc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1[O-] ZINC000291175600 386522177 /nfs/dbraw/zinc/52/21/77/386522177.db2.gz FCDVNAKAWALIBE-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc(C[N@H+](C(C)C)[C@H]2CCOC2)c1[O-] ZINC000291175600 386522181 /nfs/dbraw/zinc/52/21/81/386522181.db2.gz FCDVNAKAWALIBE-AWEZNQCLSA-N 0 3 249.354 2.700 20 10 BFCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cn[nH]c1 ZINC000228799341 386618059 /nfs/dbraw/zinc/61/80/59/386618059.db2.gz PRHXEXFZDOXHHQ-NXEZZACHSA-N 0 3 231.299 2.527 20 10 BFCDHN CC/C=C/C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000295125380 386690701 /nfs/dbraw/zinc/69/07/01/386690701.db2.gz XGFULOUZQOLOTH-AATRIKPKSA-N 0 3 235.327 2.847 20 10 BFCDHN CC[C@H]1CC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000292797585 386728826 /nfs/dbraw/zinc/72/88/26/386728826.db2.gz NCEHBZAZTBICCY-LBPRGKRZSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@H]1CC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000292797585 386728831 /nfs/dbraw/zinc/72/88/31/386728831.db2.gz NCEHBZAZTBICCY-LBPRGKRZSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@@H]([NH2+]CCCCO)c1ccc(C)cc1[O-] ZINC000280020313 386769112 /nfs/dbraw/zinc/76/91/12/386769112.db2.gz HKAOBFSYIWUTQJ-CYBMUJFWSA-N 0 3 237.343 2.514 20 10 BFCDHN CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000528002609 387808479 /nfs/dbraw/zinc/80/84/79/387808479.db2.gz YKGSSSBKPSINRJ-GLQYFDAESA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1[O-] ZINC000163973015 388116765 /nfs/dbraw/zinc/11/67/65/388116765.db2.gz CMHGRIPQVGLQHB-OUAUKWLOSA-N 0 3 205.301 2.699 20 10 BFCDHN C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1[O-] ZINC000277160769 388353841 /nfs/dbraw/zinc/35/38/41/388353841.db2.gz RACVXTWKLDYYOZ-MRVPVSSYSA-N 0 3 227.254 2.841 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccccc1[O-] ZINC000293581590 388390286 /nfs/dbraw/zinc/39/02/86/388390286.db2.gz CAHUWESOVMYKCM-DZGCQCFKSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295847616 388414733 /nfs/dbraw/zinc/41/47/33/388414733.db2.gz FXESSNUJYCZWLC-ADEWGFFLSA-N 0 3 217.312 2.625 20 10 BFCDHN CCC[C@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297547007 388430774 /nfs/dbraw/zinc/43/07/74/388430774.db2.gz FKTAJCQXHFJSII-WFASDCNBSA-N 0 3 249.354 2.520 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H](C)C2CC2)cc1C ZINC000164415005 135246200 /nfs/dbraw/zinc/24/62/00/135246200.db2.gz VCRGESFFYBBMIJ-LLVKDONJSA-N 0 3 219.328 2.897 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)c([O-])c1 ZINC000038044307 398024747 /nfs/dbraw/zinc/02/47/47/398024747.db2.gz OIZQEFXCXQVGMU-STQMWFEESA-N 0 3 249.354 2.778 20 10 BFCDHN CC(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111312 167013569 /nfs/dbraw/zinc/01/35/69/167013569.db2.gz FJAYMCCNAWLPKY-SECBINFHSA-N 0 3 211.280 2.838 20 10 BFCDHN CC1([NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000226621569 168062995 /nfs/dbraw/zinc/06/29/95/168062995.db2.gz PGPYXTSUONAEMV-UHFFFAOYSA-N 0 3 209.264 2.564 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CC=C(C)CC2)c1 ZINC000271213962 168114236 /nfs/dbraw/zinc/11/42/36/168114236.db2.gz ZZWKKHVEUYGTDS-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CC=C(C)CC2)c1 ZINC000271213962 168114239 /nfs/dbraw/zinc/11/42/39/168114239.db2.gz ZZWKKHVEUYGTDS-UHFFFAOYSA-N 0 3 217.312 2.853 20 10 BFCDHN C[C@@H]([NH2+]C1CC(C)C1)c1cc(F)ccc1[O-] ZINC000164633725 168147858 /nfs/dbraw/zinc/14/78/58/168147858.db2.gz YLFNQUXXUBDFND-INWMGODYSA-N 0 3 223.291 2.980 20 10 BFCDHN CCOc1ccc(O)c(CN2CC=C(C)CC2)c1 ZINC000271157834 411429174 /nfs/dbraw/zinc/42/91/74/411429174.db2.gz CGEBLTPRZDGWJN-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC=C(C)CC2)c1 ZINC000271157834 411429178 /nfs/dbraw/zinc/42/91/78/411429178.db2.gz CGEBLTPRZDGWJN-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC=C(C)CC2)c1 ZINC000271157834 411429184 /nfs/dbraw/zinc/42/91/84/411429184.db2.gz CGEBLTPRZDGWJN-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019436027 170169581 /nfs/dbraw/zinc/16/95/81/170169581.db2.gz XTCWDZATTRZSMS-UWVGGRQHSA-N 0 3 205.301 2.858 20 10 BFCDHN CCOCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628712 170382689 /nfs/dbraw/zinc/38/26/89/170382689.db2.gz DNFMTDKMSVJDMN-GFCCVEGCSA-N 0 3 237.343 2.778 20 10 BFCDHN CC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111308 171345872 /nfs/dbraw/zinc/34/58/72/171345872.db2.gz JNVNYKKOSFLZDR-IUCAKERBSA-N 0 3 211.280 2.980 20 10 BFCDHN COCC(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296633444 174074298 /nfs/dbraw/zinc/07/42/98/174074298.db2.gz BNLHQJONPIVISH-GFCCVEGCSA-N 0 3 249.354 2.642 20 10 BFCDHN COCC(C)(C)[N@H+](C)Cc1cccc(C)c1[O-] ZINC000292689878 174077221 /nfs/dbraw/zinc/07/72/21/174077221.db2.gz BGHYTFTZMUDXGM-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COCC(C)(C)[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000292689878 174077222 /nfs/dbraw/zinc/07/72/22/174077222.db2.gz BGHYTFTZMUDXGM-UHFFFAOYSA-N 0 3 237.343 2.557 20 10 BFCDHN COCC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000295203437 174117052 /nfs/dbraw/zinc/11/70/52/174117052.db2.gz PHKNOOYWCQKRBY-UHFFFAOYSA-N 0 3 249.354 2.687 20 10 BFCDHN COCCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183621941 174156141 /nfs/dbraw/zinc/15/61/41/174156141.db2.gz YDAAQALIYLGVJQ-LBPRGKRZSA-N 0 3 249.354 2.860 20 10 BFCDHN COCCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000179875428 174184471 /nfs/dbraw/zinc/18/44/71/174184471.db2.gz SZFOMNJKRJHAOZ-GFCCVEGCSA-N 0 3 237.343 2.860 20 10 BFCDHN COCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618332 174384359 /nfs/dbraw/zinc/38/43/59/174384359.db2.gz RHVDVIZVVRSISH-ZJUUUORDSA-N 0 3 241.306 2.607 20 10 BFCDHN COc1ccc(CNC2CC(F)(F)C2)cc1C ZINC000277643908 175105554 /nfs/dbraw/zinc/10/55/54/175105554.db2.gz MBDMGKVENBCINX-UHFFFAOYSA-N 0 3 241.281 2.891 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C2(C)CCCC2)c1 ZINC000042176734 175158198 /nfs/dbraw/zinc/15/81/98/175158198.db2.gz DQPYASZCVYNCSX-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000035733192 175160367 /nfs/dbraw/zinc/16/03/67/175160367.db2.gz JNQCFBLXGJVSPW-VHSXEESVSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)C)c1 ZINC000019883134 175160699 /nfs/dbraw/zinc/16/06/99/175160699.db2.gz GAKSZIMDQVFMDT-JTQLQIEISA-N 0 3 223.316 2.707 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000378345852 175259976 /nfs/dbraw/zinc/25/99/76/175259976.db2.gz BHHGOIZWOGHKEX-GFCCVEGCSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000378345852 175259978 /nfs/dbraw/zinc/25/99/78/175259978.db2.gz BHHGOIZWOGHKEX-GFCCVEGCSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc(C[NH2+]CCC(C)(C)C)c1[O-] ZINC000134227900 175263693 /nfs/dbraw/zinc/26/36/93/175263693.db2.gz HGNAWHJXNOSTLX-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN COc1cccc(C[NH2+]CC2(C)CCC2)c1[O-] ZINC000226786922 175263847 /nfs/dbraw/zinc/26/38/47/175263847.db2.gz AQHRZUIVVSCDJR-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1[O-] ZINC000071205660 175267000 /nfs/dbraw/zinc/26/70/00/175267000.db2.gz HIRQSWJXWYGZPS-ZYHUDNBSSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CC1(C)C)c1cc(F)ccc1[O-] ZINC000087111393 176893621 /nfs/dbraw/zinc/89/36/21/176893621.db2.gz PITARUQLJWKDIA-QPUJVOFHSA-N 0 3 223.291 2.980 20 10 BFCDHN C[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1[O-] ZINC000171937711 177050358 /nfs/dbraw/zinc/05/03/58/177050358.db2.gz OPRLWTFCBFSBGE-GFCCVEGCSA-N 0 3 242.322 2.980 20 10 BFCDHN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000171937711 177050359 /nfs/dbraw/zinc/05/03/59/177050359.db2.gz OPRLWTFCBFSBGE-GFCCVEGCSA-N 0 3 242.322 2.980 20 10 BFCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CCC1(F)F ZINC000291438539 177266652 /nfs/dbraw/zinc/26/66/52/177266652.db2.gz BQQWIGUBXUJXMG-JTQLQIEISA-N 0 3 241.281 2.869 20 10 BFCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CCC1(F)F ZINC000291438539 177266653 /nfs/dbraw/zinc/26/66/53/177266653.db2.gz BQQWIGUBXUJXMG-JTQLQIEISA-N 0 3 241.281 2.869 20 10 BFCDHN Cc1cnccc1CN(C)Cc1ccccc1O ZINC000294701951 487778501 /nfs/dbraw/zinc/77/85/01/487778501.db2.gz FCUGVVRFNQYENQ-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000085962897 487875631 /nfs/dbraw/zinc/87/56/31/487875631.db2.gz NCMICUXDAWCOCH-SCRDCRAPSA-N 0 3 249.354 2.594 20 10 BFCDHN CS[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000295059397 566388625 /nfs/dbraw/zinc/38/86/25/566388625.db2.gz OCXMSGHPEHACKG-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN CS[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000295059397 566388631 /nfs/dbraw/zinc/38/86/31/566388631.db2.gz OCXMSGHPEHACKG-GFCCVEGCSA-N 0 3 237.368 2.638 20 10 BFCDHN CCCCC[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894145734 583317929 /nfs/dbraw/zinc/31/79/29/583317929.db2.gz IGBYHCYPXBCREG-UHFFFAOYSA-N 0 3 237.343 2.989 20 10 BFCDHN COCC[C@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840835091 582668709 /nfs/dbraw/zinc/66/87/09/582668709.db2.gz GQQCHLDFPPPNHA-AAEUAGOBSA-N 0 3 249.354 2.642 20 10 BFCDHN Cc1cc(C[NH2+]Cc2ccccc2[O-])c(C)o1 ZINC000114504856 588874724 /nfs/dbraw/zinc/87/47/24/588874724.db2.gz BDKLWKHFXDYIJQ-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN CCOc1ccc(C[NH2+]CC2CC(C)C2)c([O-])c1 ZINC000856811453 588878896 /nfs/dbraw/zinc/87/88/96/588878896.db2.gz PTOLVKZXUJLTJM-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2CC(CC3CC3)C2)c1 ZINC000857066775 588885496 /nfs/dbraw/zinc/88/54/96/588885496.db2.gz VGWIIIHJVJPDRQ-UHFFFAOYSA-N 0 3 231.339 2.933 20 10 BFCDHN COc1cc(C)cc(CNCc2ccco2)c1O ZINC000894145414 583318142 /nfs/dbraw/zinc/31/81/42/583318142.db2.gz CTWJGEXHRLKJQM-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CC2CCCC2)c1[O-] ZINC000894164210 583321621 /nfs/dbraw/zinc/32/16/21/583321621.db2.gz FGPPOWSKYPWQEV-UHFFFAOYSA-N 0 3 249.354 2.989 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000877640557 583341732 /nfs/dbraw/zinc/34/17/32/583341732.db2.gz OWVIDUQMKCFQOO-LBPRGKRZSA-N 0 3 249.354 2.605 20 10 BFCDHN CCC(C)(C)[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894210698 583375499 /nfs/dbraw/zinc/37/54/99/583375499.db2.gz FVORFQNYPURSDK-UHFFFAOYSA-N 0 3 237.343 2.987 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@H]2CC2(C)C)c1[O-] ZINC000894992927 583563882 /nfs/dbraw/zinc/56/38/82/583563882.db2.gz GEKGBAJXRIQDPO-LBPRGKRZSA-N 0 3 235.327 2.597 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CC2CC=CC2)c1[O-] ZINC000895390410 583664019 /nfs/dbraw/zinc/66/40/19/583664019.db2.gz MBOMOCLMYFMXLB-UHFFFAOYSA-N 0 3 247.338 2.765 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c([O-])c1 ZINC000895543914 583689575 /nfs/dbraw/zinc/68/95/75/583689575.db2.gz GTGDQCDGYWJJGP-LBPRGKRZSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CF)C2)c([O-])c1 ZINC000895543914 583689576 /nfs/dbraw/zinc/68/95/76/583689576.db2.gz GTGDQCDGYWJJGP-LBPRGKRZSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(C[NH+]2CCC(F)CC2)c([O-])c1 ZINC000895546848 583690149 /nfs/dbraw/zinc/69/01/49/583690149.db2.gz VZVNBYORXXLBDG-UHFFFAOYSA-N 0 3 223.291 2.635 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+](C)CCCF)c1 ZINC000895897524 583741175 /nfs/dbraw/zinc/74/11/75/583741175.db2.gz AFWIARWVBAGUQR-UHFFFAOYSA-N 0 3 241.306 2.582 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+](C)CCCF)c1 ZINC000895897524 583741177 /nfs/dbraw/zinc/74/11/77/583741177.db2.gz AFWIARWVBAGUQR-UHFFFAOYSA-N 0 3 241.306 2.582 20 10 BFCDHN COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000896609322 583817466 /nfs/dbraw/zinc/81/74/66/583817466.db2.gz ZTMDDPOYIBSJJI-LLVKDONJSA-N 0 3 237.343 2.604 20 10 BFCDHN CN(C)c1cc(F)c(CNC(C)(C)C)cc1F ZINC000858095100 588932386 /nfs/dbraw/zinc/93/23/86/588932386.db2.gz JQZKZAASYPSCRG-UHFFFAOYSA-N 0 3 242.313 2.919 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@]23C[C@H]2CCC3)c([O-])c1 ZINC000897242395 583901287 /nfs/dbraw/zinc/90/12/87/583901287.db2.gz SIGCOWQBZNKXNC-HIFRSBDPSA-N 0 3 231.339 2.980 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897952336 584063540 /nfs/dbraw/zinc/06/35/40/584063540.db2.gz GGIRIJPVEYXXLU-NTZNESFSSA-N 0 3 247.338 2.679 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897954831 584064474 /nfs/dbraw/zinc/06/44/74/584064474.db2.gz LJKWFNCBYZUMHV-JIMOISOXSA-N 0 3 235.302 2.810 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c([O-])c1 ZINC000897959213 584066950 /nfs/dbraw/zinc/06/69/50/584066950.db2.gz FKPDZXIRORBCSL-FPMFFAJLSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897959465 584067547 /nfs/dbraw/zinc/06/75/47/584067547.db2.gz TYBDLHOYOAVSGM-SGMGOOAPSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897959466 584067612 /nfs/dbraw/zinc/06/76/12/584067612.db2.gz TYBDLHOYOAVSGM-YRGRVCCFSA-N 0 3 231.339 2.979 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000898071180 584082355 /nfs/dbraw/zinc/08/23/55/584082355.db2.gz QINRROOGAKZRRE-BETUJISGSA-N 0 3 231.339 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000898071180 584082356 /nfs/dbraw/zinc/08/23/56/584082356.db2.gz QINRROOGAKZRRE-BETUJISGSA-N 0 3 231.339 2.933 20 10 BFCDHN CC[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccccc1[O-] ZINC000898197905 584097679 /nfs/dbraw/zinc/09/76/79/584097679.db2.gz KQQAIAVEAUUPGA-KBPBESRZSA-N 0 3 249.354 2.594 20 10 BFCDHN CSCC(C)(C)[NH2+]Cc1cccc(C)c1[O-] ZINC000898305685 584109208 /nfs/dbraw/zinc/10/92/08/584109208.db2.gz NYZZQNHYTBHKKY-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634384 584648173 /nfs/dbraw/zinc/64/81/73/584648173.db2.gz HHZAQVHOHKJBPS-DZGCQCFKSA-N 0 3 249.354 2.618 20 10 BFCDHN CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000902634384 584648175 /nfs/dbraw/zinc/64/81/75/584648175.db2.gz HHZAQVHOHKJBPS-DZGCQCFKSA-N 0 3 249.354 2.618 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(C)cc1[O-] ZINC000903393303 584756753 /nfs/dbraw/zinc/75/67/53/584756753.db2.gz KHZYUHHJJJJZQQ-KWCYVHTRSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1noc(C)c1CNCc1ccc(C)cc1O ZINC000876969524 584888347 /nfs/dbraw/zinc/88/83/47/584888347.db2.gz RLBHLCSNYICTCD-UHFFFAOYSA-N 0 3 246.310 2.595 20 10 BFCDHN CCO[C@@H](C[N@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000859188792 589016418 /nfs/dbraw/zinc/01/64/18/589016418.db2.gz CXFFZTIHMYBJFW-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN CCO[C@@H](C[N@@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000859188792 589016420 /nfs/dbraw/zinc/01/64/20/589016420.db2.gz CXFFZTIHMYBJFW-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000839186279 585096847 /nfs/dbraw/zinc/09/68/47/585096847.db2.gz FNJDTKMPGVLLQL-SWHYSGLUSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCC1CCC1 ZINC000756135767 585314836 /nfs/dbraw/zinc/31/48/36/585314836.db2.gz KBRKVWDXWAUQGI-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C[C@@H]2CCOC2)c1 ZINC000759835176 585381199 /nfs/dbraw/zinc/38/11/99/585381199.db2.gz AUUSTADGVUURKT-STQMWFEESA-N 0 3 249.354 2.605 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C)C1 ZINC000768138461 585532760 /nfs/dbraw/zinc/53/27/60/585532760.db2.gz LMGPELDHXITTEZ-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C)C1 ZINC000768138461 585532761 /nfs/dbraw/zinc/53/27/61/585532761.db2.gz LMGPELDHXITTEZ-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769011623 585547345 /nfs/dbraw/zinc/54/73/45/585547345.db2.gz YYYKJFDCZHAAER-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769011623 585547346 /nfs/dbraw/zinc/54/73/46/585547346.db2.gz YYYKJFDCZHAAER-LLVKDONJSA-N 0 3 235.327 2.775 20 10 BFCDHN Cc1ccc(O)c(CN(C)Cc2ccoc2)c1 ZINC000769006410 585547517 /nfs/dbraw/zinc/54/75/17/585547517.db2.gz SKEBGDPTISEOMD-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN CN(C)c1ccc(CN2CCC2(C)C)cc1F ZINC000769446392 585556992 /nfs/dbraw/zinc/55/69/92/585556992.db2.gz NZTYYTIDOLLEJH-UHFFFAOYSA-N 0 3 236.334 2.876 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000769450136 585557152 /nfs/dbraw/zinc/55/71/52/585557152.db2.gz AOOGEBISIBNTBE-NEPJUHHUSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000769450136 585557153 /nfs/dbraw/zinc/55/71/53/585557153.db2.gz AOOGEBISIBNTBE-NEPJUHHUSA-N 0 3 249.354 2.879 20 10 BFCDHN CC[N@H+](Cc1cccc(OC)c1[O-])C1CCC1 ZINC000769466584 585557912 /nfs/dbraw/zinc/55/79/12/585557912.db2.gz MKEWBNCXSFTHLU-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C1CCC1 ZINC000769466584 585557913 /nfs/dbraw/zinc/55/79/13/585557913.db2.gz MKEWBNCXSFTHLU-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN Cc1cc(O)c(CN(C)Cc2ccc[nH]2)cc1C ZINC000769544646 585559283 /nfs/dbraw/zinc/55/92/83/585559283.db2.gz ZUEQCMHLLCCANH-UHFFFAOYSA-N 0 3 244.338 2.969 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C2CC(OC(C)C)C2)c1 ZINC000769936106 585566692 /nfs/dbraw/zinc/56/66/92/585566692.db2.gz DPDPFNVLSLOQLC-UHFFFAOYSA-N 0 3 249.354 2.746 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCCOC2)cc1C ZINC000771892010 585603973 /nfs/dbraw/zinc/60/39/73/585603973.db2.gz KBISSVMLQUKPHO-HNNXBMFYSA-N 0 3 249.354 2.668 20 10 BFCDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000774830839 585666814 /nfs/dbraw/zinc/66/68/14/585666814.db2.gz DQMLOGOBZLFQNN-IUODEOHRSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000774830838 585666843 /nfs/dbraw/zinc/66/68/43/585666843.db2.gz DQMLOGOBZLFQNN-DOMZBBRYSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000776157061 585691256 /nfs/dbraw/zinc/69/12/56/585691256.db2.gz PCRGHRILBGEXRQ-DDTOSNHZSA-N 0 3 249.354 2.541 20 10 BFCDHN CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000776157065 585691348 /nfs/dbraw/zinc/69/13/48/585691348.db2.gz PCRGHRILBGEXRQ-ZLKJLUDKSA-N 0 3 249.354 2.541 20 10 BFCDHN CC1(C)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779018708 585743999 /nfs/dbraw/zinc/74/39/99/585743999.db2.gz BWANLNOPBLDBFB-UHFFFAOYSA-N 0 3 209.264 2.516 20 10 BFCDHN CC1(C)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779018708 585744000 /nfs/dbraw/zinc/74/40/00/585744000.db2.gz BWANLNOPBLDBFB-UHFFFAOYSA-N 0 3 209.264 2.516 20 10 BFCDHN Cc1occc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000779062443 585744727 /nfs/dbraw/zinc/74/47/27/585744727.db2.gz PQBBGJMSEQVPCX-UHFFFAOYSA-N 0 3 235.258 2.723 20 10 BFCDHN C[C@@H]1CCN(Cc2ccccc2O)C[C@H]1F ZINC000779151397 585745974 /nfs/dbraw/zinc/74/59/74/585745974.db2.gz XWUCXSREUQUIIS-ZYHUDNBSSA-N 0 3 223.291 2.572 20 10 BFCDHN C[C@@H]1CCN(Cc2ccccc2O)C[C@@H]1F ZINC000779151396 585745978 /nfs/dbraw/zinc/74/59/78/585745978.db2.gz XWUCXSREUQUIIS-PWSUYJOCSA-N 0 3 223.291 2.572 20 10 BFCDHN Cc1cccc(CN2CC[C@H](C)[C@@H](F)C2)c1O ZINC000779149044 585746009 /nfs/dbraw/zinc/74/60/09/585746009.db2.gz KEKORHHRUQCVIA-GWCFXTLKSA-N 0 3 237.318 2.881 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])CC1(C)CC1 ZINC000787113483 585901479 /nfs/dbraw/zinc/90/14/79/585901479.db2.gz VWQXBFRQZGHVMT-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])CC1(C)CC1 ZINC000787113483 585901480 /nfs/dbraw/zinc/90/14/80/585901480.db2.gz VWQXBFRQZGHVMT-UHFFFAOYSA-N 0 3 205.301 2.624 20 10 BFCDHN Cc1cc(N(C)C)ccc1CNCC1(F)CC1 ZINC000792976641 586007963 /nfs/dbraw/zinc/00/79/63/586007963.db2.gz DYWFSJXMPLFVME-UHFFFAOYSA-N 0 3 236.334 2.653 20 10 BFCDHN CCOc1cccc(C[NH+]2CC(C(C)C)C2)c1[O-] ZINC000793191326 586013783 /nfs/dbraw/zinc/01/37/83/586013783.db2.gz XOCXWANKRYTFSX-UHFFFAOYSA-N 0 3 249.354 2.879 20 10 BFCDHN Cc1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1[O-] ZINC000793228105 586014824 /nfs/dbraw/zinc/01/48/24/586014824.db2.gz JSAFFBYYYYHOOK-GHMZBOCLSA-N 0 3 205.301 2.683 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)COC)c1ccc(C)cc1[O-] ZINC000794794359 586049119 /nfs/dbraw/zinc/04/91/19/586049119.db2.gz MJTLFXPLFVPWHF-AAEUAGOBSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@@H]([NH2+]CC1(CO)CC1)c1ccc(C)cc1[O-] ZINC000794802342 586049129 /nfs/dbraw/zinc/04/91/29/586049129.db2.gz NKLDCKBMXGOVNV-CYBMUJFWSA-N 0 3 249.354 2.514 20 10 BFCDHN CC[C@H]([NH2+]CC1(CO)CC1)c1ccc(C)cc1[O-] ZINC000794802346 586049178 /nfs/dbraw/zinc/04/91/78/586049178.db2.gz NKLDCKBMXGOVNV-ZDUSSCGKSA-N 0 3 249.354 2.514 20 10 BFCDHN CC[C@@H]([NH2+]CC1(O)CCC1)c1ccc(C)cc1[O-] ZINC000794809055 586049325 /nfs/dbraw/zinc/04/93/25/586049325.db2.gz PTVCCZMHJGXCIK-CYBMUJFWSA-N 0 3 249.354 2.656 20 10 BFCDHN CC1=C(C)C[N@H+](Cc2ccccc2[O-])CC1 ZINC000796017293 586095593 /nfs/dbraw/zinc/09/55/93/586095593.db2.gz HRRUKHCTLTZKQD-UHFFFAOYSA-N 0 3 217.312 2.934 20 10 BFCDHN CC1=C(C)C[N@@H+](Cc2ccccc2[O-])CC1 ZINC000796017293 586095594 /nfs/dbraw/zinc/09/55/94/586095594.db2.gz HRRUKHCTLTZKQD-UHFFFAOYSA-N 0 3 217.312 2.934 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CCC(C)=C(C)C1 ZINC000796018529 586096277 /nfs/dbraw/zinc/09/62/77/586096277.db2.gz QZVCIFXLNFDPMI-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CCC(C)=C(C)C1 ZINC000796018529 586096278 /nfs/dbraw/zinc/09/62/78/586096278.db2.gz QZVCIFXLNFDPMI-UHFFFAOYSA-N 0 3 247.338 2.943 20 10 BFCDHN CC1=C[C@@H](C)C[N@H+](Cc2ccccc2[O-])C1 ZINC000797606002 586129468 /nfs/dbraw/zinc/12/94/68/586129468.db2.gz XIAJOUADIKHXKY-LLVKDONJSA-N 0 3 217.312 2.790 20 10 BFCDHN CC1=C[C@@H](C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000797606002 586129469 /nfs/dbraw/zinc/12/94/69/586129469.db2.gz XIAJOUADIKHXKY-LLVKDONJSA-N 0 3 217.312 2.790 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c([O-])c1 ZINC000797904888 586133805 /nfs/dbraw/zinc/13/38/05/586133805.db2.gz DHPRDMFBLYOTFD-ZIAGYGMSSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1[O-] ZINC000800890773 586236188 /nfs/dbraw/zinc/23/61/88/586236188.db2.gz RRONSLFKPREVCI-UHTWSYAYSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000800974639 586238423 /nfs/dbraw/zinc/23/84/23/586238423.db2.gz OFAFOCUPGZRLCQ-GDLCADMTSA-N 0 3 247.338 2.679 20 10 BFCDHN Cc1cc(C)c(O)c(CN2CC[C@@H](F)C2)c1 ZINC000840106274 586447494 /nfs/dbraw/zinc/44/74/94/586447494.db2.gz RHYPDJDWVPRFEG-GFCCVEGCSA-N 0 3 223.291 2.553 20 10 BFCDHN CC[N@H+](Cc1cc(C)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000812297146 586572875 /nfs/dbraw/zinc/57/28/75/586572875.db2.gz XJZVTSGNKDJVNX-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN CC[N@@H+](Cc1cc(C)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000812297146 586572876 /nfs/dbraw/zinc/57/28/76/586572876.db2.gz XJZVTSGNKDJVNX-CQSZACIVSA-N 0 3 249.354 2.620 20 10 BFCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000816647433 586749429 /nfs/dbraw/zinc/74/94/29/586749429.db2.gz SBKUFLKQAFWGQH-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000816647433 586749432 /nfs/dbraw/zinc/74/94/32/586749432.db2.gz SBKUFLKQAFWGQH-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1[O-] ZINC000816647541 586750718 /nfs/dbraw/zinc/75/07/18/586750718.db2.gz UGGKGUMICMJWJH-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(C[N@H+]2C[C@H](C)[C@H]2C)c1[O-] ZINC000816647541 586750719 /nfs/dbraw/zinc/75/07/19/586750719.db2.gz UGGKGUMICMJWJH-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1cccc(CN2C[C@H](C)[C@H]2C)c1O ZINC000816647541 586750722 /nfs/dbraw/zinc/75/07/22/586750722.db2.gz UGGKGUMICMJWJH-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN C[C@@H](NCCc1ccc(N)cc1)c1ccoc1 ZINC000817956200 586849704 /nfs/dbraw/zinc/84/97/04/586849704.db2.gz SXZZYXSFLLDMQY-LLVKDONJSA-N 0 3 230.311 2.755 20 10 BFCDHN C[C@@H](CN)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817970407 586857462 /nfs/dbraw/zinc/85/74/62/586857462.db2.gz UVEFKXOOGTUENY-QWRGUYRKSA-N 0 3 244.338 2.543 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C[C@@H]1C ZINC000824815168 587288546 /nfs/dbraw/zinc/28/85/46/587288546.db2.gz JEUWKHOSZHLDQB-JSGCOSHPSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C[C@@H]1C ZINC000824815168 587288547 /nfs/dbraw/zinc/28/85/47/587288547.db2.gz JEUWKHOSZHLDQB-JSGCOSHPSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000824814408 587288865 /nfs/dbraw/zinc/28/88/65/587288865.db2.gz ABJVBDOPMLMWCB-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000824814408 587288866 /nfs/dbraw/zinc/28/88/66/587288866.db2.gz ABJVBDOPMLMWCB-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1 ZINC000824978364 587296168 /nfs/dbraw/zinc/29/61/68/587296168.db2.gz VHTUMLJMKQTQBB-FZMZJTMJSA-N 0 3 249.354 2.783 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000824977308 587296561 /nfs/dbraw/zinc/29/65/61/587296561.db2.gz JWTPNCSOVXHLFA-RYUDHWBXSA-N 0 3 249.354 2.783 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539647 587354315 /nfs/dbraw/zinc/35/43/15/587354315.db2.gz XMVAKKYTOITKTK-AAEUAGOBSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539647 587354316 /nfs/dbraw/zinc/35/43/16/587354316.db2.gz XMVAKKYTOITKTK-AAEUAGOBSA-N 0 3 247.338 2.775 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000834729794 587764880 /nfs/dbraw/zinc/76/48/80/587764880.db2.gz KRTNHGOXESRXLK-LBPRGKRZSA-N 0 3 229.323 2.912 20 10 BFCDHN C[C@@H](CF)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835056341 587779637 /nfs/dbraw/zinc/77/96/37/587779637.db2.gz TZUQKHHWHMNSML-ITKZLYELSA-N 0 3 236.334 2.713 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CC1(F)F ZINC000840969158 587932388 /nfs/dbraw/zinc/93/23/88/587932388.db2.gz YQPQKENDYFVIHX-PSASIEDQSA-N 0 3 227.254 2.526 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1C ZINC000841760872 587974049 /nfs/dbraw/zinc/97/40/49/587974049.db2.gz ZATZOYUVSVFBRH-JMSVASOKSA-N 0 3 249.354 2.573 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C)cc1[O-] ZINC000841758091 587974279 /nfs/dbraw/zinc/97/42/79/587974279.db2.gz CCQYJSFXRAVVIC-KYOSRNDESA-N 0 3 249.354 2.655 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000842930119 588071977 /nfs/dbraw/zinc/07/19/77/588071977.db2.gz VDELEOGAAPKUGB-OBJOEFQTSA-N 0 3 249.354 2.919 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CCC23CCCC3)c1 ZINC000846000135 588253042 /nfs/dbraw/zinc/25/30/42/588253042.db2.gz NEBQHYGSFDEKKI-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CCC23CCCC3)c1 ZINC000846000135 588253043 /nfs/dbraw/zinc/25/30/43/588253043.db2.gz NEBQHYGSFDEKKI-UHFFFAOYSA-N 0 3 247.338 2.919 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)COCC2CC2)c1 ZINC000846073890 588255716 /nfs/dbraw/zinc/25/57/16/588255716.db2.gz SLOTYKWBBWVCOR-LBPRGKRZSA-N 0 3 249.354 2.605 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118620 588257977 /nfs/dbraw/zinc/25/79/77/588257977.db2.gz YCVINPWJFUZCGL-LBPRGKRZSA-N 0 3 239.265 2.623 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118620 588257978 /nfs/dbraw/zinc/25/79/78/588257978.db2.gz YCVINPWJFUZCGL-LBPRGKRZSA-N 0 3 239.265 2.623 20 10 BFCDHN C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccccc1[O-] ZINC000846210426 588260155 /nfs/dbraw/zinc/26/01/55/588260155.db2.gz MXENANXCJHJCKM-GFCCVEGCSA-N 0 3 249.354 2.596 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCCO1 ZINC000848574372 588398909 /nfs/dbraw/zinc/39/89/09/588398909.db2.gz DEMRPCZCULEWPI-ZFWWWQNUSA-N 0 3 249.354 2.830 20 10 BFCDHN CCc1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1[O-] ZINC000848908348 588419337 /nfs/dbraw/zinc/41/93/37/588419337.db2.gz RMRUQIXRCZTJDZ-GHMZBOCLSA-N 0 3 219.328 2.937 20 10 BFCDHN CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1[O-] ZINC000848916766 588420644 /nfs/dbraw/zinc/42/06/44/588420644.db2.gz MMBDYBCSNDHLHT-STQMWFEESA-N 0 3 249.379 2.644 20 10 BFCDHN CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1[O-] ZINC000848916766 588420646 /nfs/dbraw/zinc/42/06/46/588420646.db2.gz MMBDYBCSNDHLHT-STQMWFEESA-N 0 3 249.379 2.644 20 10 BFCDHN CCc1cccc(C[NH2+][C@@H]2CCO[C@H]2CC)c1[O-] ZINC000848916598 588420833 /nfs/dbraw/zinc/42/08/33/588420833.db2.gz KJSWUSCMZBEPEB-KGLIPLIRSA-N 0 3 249.354 2.612 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000850514684 588556154 /nfs/dbraw/zinc/55/61/54/588556154.db2.gz PGIOQCUDGJTTMR-AVGNSLFASA-N 0 3 247.338 2.537 20 10 BFCDHN CO[C@@H](C[N@H+](C)Cc1ccccc1[O-])C1CCC1 ZINC000851840180 588634322 /nfs/dbraw/zinc/63/43/22/588634322.db2.gz BDOKKCUFLDREST-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN CO[C@@H](C[N@@H+](C)Cc1ccccc1[O-])C1CCC1 ZINC000851840180 588634323 /nfs/dbraw/zinc/63/43/23/588634323.db2.gz BDOKKCUFLDREST-HNNXBMFYSA-N 0 3 249.354 2.639 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C2CC(C(F)F)C2)c1 ZINC000862478760 589217154 /nfs/dbraw/zinc/21/71/54/589217154.db2.gz PKSWIGVUAFOZPO-UHFFFAOYSA-N 0 3 241.281 2.834 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000865734463 589459589 /nfs/dbraw/zinc/45/95/89/589459589.db2.gz ZOLCIULRCZKNKE-HAQNSBGRSA-N 0 3 237.368 2.684 20 10 BFCDHN CC(C)([NH2+]Cc1ccccc1[O-])[C@H]1CCCCO1 ZINC000865746079 589460354 /nfs/dbraw/zinc/46/03/54/589460354.db2.gz LKGYGNQFTSAFOC-CQSZACIVSA-N 0 3 249.354 2.830 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000866488890 589497090 /nfs/dbraw/zinc/49/70/90/589497090.db2.gz WVFQDZABPHZCFH-SRVKXCTJSA-N 0 3 249.379 2.863 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccnn1C ZINC000866613680 589504776 /nfs/dbraw/zinc/50/47/76/589504776.db2.gz UYEUJPXVGGSBIR-WDEREUQCSA-N 0 3 245.326 2.538 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]CCC(C)(C)C)c1 ZINC000124263787 589971238 /nfs/dbraw/zinc/97/12/38/589971238.db2.gz NOUBHNXZEBDGTQ-UHFFFAOYSA-N 0 3 237.343 2.927 20 10 BFCDHN CCCOc1ccc(CN[C@H]2CCOC2)cc1C ZINC000873095037 589984106 /nfs/dbraw/zinc/98/41/06/589984106.db2.gz QKFVABCPCMWZRG-AWEZNQCLSA-N 0 3 249.354 2.662 20 10 BFCDHN CCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020087164 590073179 /nfs/dbraw/zinc/07/31/79/590073179.db2.gz UQJPITBTUKKXFI-SNVBAGLBSA-N 0 3 223.316 2.679 20 10 BFCDHN Cc1cccc(C[NH2+]CCOC2CCCC2)c1[O-] ZINC000124745234 590080190 /nfs/dbraw/zinc/08/01/90/590080190.db2.gz HSATZTVSQBVAGZ-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN COc1cc(C)cc(C[N@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000874090347 590090527 /nfs/dbraw/zinc/09/05/27/590090527.db2.gz BZNNRVXGWFJPSD-NSHDSACASA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000874090347 590090530 /nfs/dbraw/zinc/09/05/30/590090530.db2.gz BZNNRVXGWFJPSD-NSHDSACASA-N 0 3 249.354 2.940 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C)C1 ZINC000876525019 590208794 /nfs/dbraw/zinc/20/87/94/590208794.db2.gz AOUXREXSWYJTRS-NSHDSACASA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C)C1 ZINC000876525019 590208796 /nfs/dbraw/zinc/20/87/96/590208796.db2.gz AOUXREXSWYJTRS-NSHDSACASA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccco2)c(O)c1 ZINC000876540508 590212058 /nfs/dbraw/zinc/21/20/58/590212058.db2.gz ZMRKCRFJGVUGAS-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN Cc1cccc(O)c1CN(C)Cc1ccco1 ZINC000876540169 590212365 /nfs/dbraw/zinc/21/23/65/590212365.db2.gz UMVZJNUAIHKLAX-UHFFFAOYSA-N 0 3 231.295 2.926 20 10 BFCDHN Cc1ccc(C[N@@H+](C)[C@H]2CCSC2)c([O-])c1 ZINC000876573681 590217528 /nfs/dbraw/zinc/21/75/28/590217528.db2.gz YZBKAXSXOLAZFN-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc(C[N@H+](C)[C@H]2CCSC2)c([O-])c1 ZINC000876573681 590217529 /nfs/dbraw/zinc/21/75/29/590217529.db2.gz YZBKAXSXOLAZFN-LBPRGKRZSA-N 0 3 237.368 2.638 20 10 BFCDHN CC[C@H](C)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876582049 590218615 /nfs/dbraw/zinc/21/86/15/590218615.db2.gz JEGKWIAXZXFAFL-NSHDSACASA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876582049 590218616 /nfs/dbraw/zinc/21/86/16/590218616.db2.gz JEGKWIAXZXFAFL-NSHDSACASA-N 0 3 207.317 2.931 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C[C@@H]1CCCO1 ZINC000876634091 590224068 /nfs/dbraw/zinc/22/40/68/590224068.db2.gz XYCCFOHUGYJKPN-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C[C@@H]1CCCO1 ZINC000876634091 590224069 /nfs/dbraw/zinc/22/40/69/590224069.db2.gz XYCCFOHUGYJKPN-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC000876636258 590224128 /nfs/dbraw/zinc/22/41/28/590224128.db2.gz DDZBFBBGHHNECK-LLVKDONJSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC000876636258 590224130 /nfs/dbraw/zinc/22/41/30/590224130.db2.gz DDZBFBBGHHNECK-LLVKDONJSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1ccc(CN2CCOC(C)(C)[C@@H]2C)c(O)c1 ZINC000876749911 590237127 /nfs/dbraw/zinc/23/71/27/590237127.db2.gz OPXKDPIFABQUMV-LBPRGKRZSA-N 0 3 249.354 2.700 20 10 BFCDHN CCC[C@H]1CN(Cc2c(C)cccc2O)CCO1 ZINC000876749563 590237565 /nfs/dbraw/zinc/23/75/65/590237565.db2.gz MJENSPNXFMAVNM-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000876757062 590238478 /nfs/dbraw/zinc/23/84/78/590238478.db2.gz AXIYSRKYJXFBGT-NEPJUHHUSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000876757062 590238479 /nfs/dbraw/zinc/23/84/79/590238479.db2.gz AXIYSRKYJXFBGT-NEPJUHHUSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000876760756 590239079 /nfs/dbraw/zinc/23/90/79/590239079.db2.gz XFUDUWNYXYTOFS-JQWIXIFHSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000876760756 590239081 /nfs/dbraw/zinc/23/90/81/590239081.db2.gz XFUDUWNYXYTOFS-JQWIXIFHSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+](C)CCOCC2CC2)c([O-])c1 ZINC000876785278 590240157 /nfs/dbraw/zinc/24/01/57/590240157.db2.gz SPPDANHOIPHNDX-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@@H+](C)CCOCC2CC2)c([O-])c1 ZINC000876785278 590240158 /nfs/dbraw/zinc/24/01/58/590240158.db2.gz SPPDANHOIPHNDX-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876805609 590244611 /nfs/dbraw/zinc/24/46/11/590244611.db2.gz CPJJBAYHCITNRA-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876805609 590244612 /nfs/dbraw/zinc/24/46/12/590244612.db2.gz CPJJBAYHCITNRA-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]1C(C)C ZINC000876878945 590252194 /nfs/dbraw/zinc/25/21/94/590252194.db2.gz LCKAWHPRUUZMPE-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]1C(C)C ZINC000876878945 590252195 /nfs/dbraw/zinc/25/21/95/590252195.db2.gz LCKAWHPRUUZMPE-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C1CC1 ZINC000876896688 590255088 /nfs/dbraw/zinc/25/50/88/590255088.db2.gz KVHUKRQTAKHSIS-JTQLQIEISA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)c2cccnc2)c([O-])c1 ZINC000876907881 590256142 /nfs/dbraw/zinc/25/61/42/590256142.db2.gz IMDGHVRYBPZTGF-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CSC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877052043 590274861 /nfs/dbraw/zinc/27/48/61/590274861.db2.gz QQQSLQQPTPPDCA-JTQLQIEISA-N 0 3 225.357 2.542 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000877120415 590289110 /nfs/dbraw/zinc/28/91/10/590289110.db2.gz RGYZJTSQTJRYBK-CYBMUJFWSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000877126441 590289920 /nfs/dbraw/zinc/28/99/20/590289920.db2.gz KNLOBIKUPAVNTC-RYUDHWBXSA-N 0 3 249.354 2.746 20 10 BFCDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877131884 590290645 /nfs/dbraw/zinc/29/06/45/590290645.db2.gz NKMXTLJNQVODQP-DOMZBBRYSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877132266 590290952 /nfs/dbraw/zinc/29/09/52/590290952.db2.gz YXSQMQJPKTXWBP-ZFWWWQNUSA-N 0 3 249.354 2.605 20 10 BFCDHN COC1(C)CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000877170675 590295843 /nfs/dbraw/zinc/29/58/43/590295843.db2.gz RVDNDFQSEJJFEE-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@@H]2CCCCO2)c([O-])c1 ZINC000877186088 590298385 /nfs/dbraw/zinc/29/83/85/590298385.db2.gz KQTDWCMOGPYOCG-AWEZNQCLSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCCCO1 ZINC000877186525 590298702 /nfs/dbraw/zinc/29/87/02/590298702.db2.gz PHSHJZDDTDGEJU-CYBMUJFWSA-N 0 3 249.354 2.749 20 10 BFCDHN Cc1cccc(O)c1CN(C)Cc1ccccn1 ZINC000877319446 590314689 /nfs/dbraw/zinc/31/46/89/590314689.db2.gz YOOYZYZDKPSAFW-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000877459983 590331425 /nfs/dbraw/zinc/33/14/25/590331425.db2.gz QFBCUFKMBVDIRI-CMPLNLGQSA-N 0 3 219.328 2.979 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC[C@H]1C ZINC000877465598 590334173 /nfs/dbraw/zinc/33/41/73/590334173.db2.gz YEAJBDAAJSILPR-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC[C@H]1C ZINC000877465598 590334176 /nfs/dbraw/zinc/33/41/76/590334176.db2.gz YEAJBDAAJSILPR-IUODEOHRSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@]1(C)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877488185 590338733 /nfs/dbraw/zinc/33/87/33/590338733.db2.gz ZFCRWHZXFPACKR-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@]1(C)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877488185 590338736 /nfs/dbraw/zinc/33/87/36/590338736.db2.gz ZFCRWHZXFPACKR-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC1(C)CC1 ZINC000877487911 590338792 /nfs/dbraw/zinc/33/87/92/590338792.db2.gz XHUFCOCCUFOYBK-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN Cc1ccc(C[NH+]2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000877486245 590339372 /nfs/dbraw/zinc/33/93/72/590339372.db2.gz GOJGSTNBDXAJKO-GHMZBOCLSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000877486247 590339415 /nfs/dbraw/zinc/33/94/15/590339415.db2.gz GOJGSTNBDXAJKO-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN Cc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000877486247 590339418 /nfs/dbraw/zinc/33/94/18/590339418.db2.gz GOJGSTNBDXAJKO-PHIMTYICSA-N 0 3 205.301 2.683 20 10 BFCDHN CSCCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877500169 590341728 /nfs/dbraw/zinc/34/17/28/590341728.db2.gz CUXOHYMMPZJMRC-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN CSCCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877500169 590341730 /nfs/dbraw/zinc/34/17/30/590341730.db2.gz CUXOHYMMPZJMRC-UHFFFAOYSA-N 0 3 239.384 2.886 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@@H](C)F)c([O-])c1 ZINC000877552079 590354872 /nfs/dbraw/zinc/35/48/72/590354872.db2.gz PULWFWPXENUFIN-SNVBAGLBSA-N 0 3 211.280 2.538 20 10 BFCDHN COC1(C[NH2+]Cc2c(C)cccc2[O-])CCCC1 ZINC000877554640 590356801 /nfs/dbraw/zinc/35/68/01/590356801.db2.gz MJYGVCSGKQYDLD-UHFFFAOYSA-N 0 3 249.354 2.749 20 10 BFCDHN CC/C=C/C[NH2+]Cc1c(C)cccc1[O-] ZINC000877563072 590359926 /nfs/dbraw/zinc/35/99/26/590359926.db2.gz GFQOLRRHFWUAMC-SNAWJCMRSA-N 0 3 205.301 2.756 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877566005 590360744 /nfs/dbraw/zinc/36/07/44/590360744.db2.gz UHBTYVDAABXZFD-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877566005 590360747 /nfs/dbraw/zinc/36/07/47/590360747.db2.gz UHBTYVDAABXZFD-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(C[NH2+]CCC[C@@H]2CCOC2)c([O-])c1 ZINC000877573039 590362707 /nfs/dbraw/zinc/36/27/07/590362707.db2.gz KRWUOJSLCVHXNF-CYBMUJFWSA-N 0 3 249.354 2.607 20 10 BFCDHN CO[C@H]([C@H](C)[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877573014 590362818 /nfs/dbraw/zinc/36/28/18/590362818.db2.gz MVVKRABCDDQVGR-XHDPSFHLSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCC[C@H]1CCOC1 ZINC000877572085 590363354 /nfs/dbraw/zinc/36/33/54/590363354.db2.gz BDVHGTZSHNEACI-ZDUSSCGKSA-N 0 3 249.354 2.607 20 10 BFCDHN COC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877575734 590364040 /nfs/dbraw/zinc/36/40/40/590364040.db2.gz CGLDMCFNWYWSIS-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN COC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877575734 590364041 /nfs/dbraw/zinc/36/40/41/590364041.db2.gz CGLDMCFNWYWSIS-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN COCCC1(C)C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000877582361 590367027 /nfs/dbraw/zinc/36/70/27/590367027.db2.gz SOIPVRJVKDDFPN-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c([O-])c1 ZINC000877587659 590367490 /nfs/dbraw/zinc/36/74/90/590367490.db2.gz FUYIICINCDSTNN-JQWIXIFHSA-N 0 3 237.368 2.684 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000877585533 590368097 /nfs/dbraw/zinc/36/80/97/590368097.db2.gz IZPGLGVHXBZIAM-XBFCOCLRSA-N 0 3 231.339 2.979 20 10 BFCDHN CC[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877596664 590370242 /nfs/dbraw/zinc/37/02/42/590370242.db2.gz VVLDFRKMEQIEGM-QWHCGFSZSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@H]1CN(Cc2ccc(C)cc2O)[C@H](C)CO1 ZINC000877611164 590372284 /nfs/dbraw/zinc/37/22/84/590372284.db2.gz XJTXUZCUTVFXOQ-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCOC2(C)C)c([O-])c1 ZINC000877639947 590381671 /nfs/dbraw/zinc/38/16/71/590381671.db2.gz HAXKOOXNUHCJDQ-CYBMUJFWSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@H]2CC2(F)F)c([O-])c1 ZINC000877645872 590384060 /nfs/dbraw/zinc/38/40/60/590384060.db2.gz ADILXTGGMOQSCG-NSHDSACASA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)F ZINC000877663510 590388865 /nfs/dbraw/zinc/38/88/65/590388865.db2.gz SRJANBGIFPJTCN-UHFFFAOYSA-N 0 3 211.280 2.538 20 10 BFCDHN C[C@@H]([NH2+]CC1(F)CC1)c1ccccc1[O-] ZINC000877755845 590417470 /nfs/dbraw/zinc/41/74/70/590417470.db2.gz ONHNVSWLJFFLHT-SECBINFHSA-N 0 3 209.264 2.545 20 10 BFCDHN CC(C)OC1CC([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000877757101 590417635 /nfs/dbraw/zinc/41/76/35/590417635.db2.gz GBEFJYFUHAIUJT-HIFPTAJRSA-N 0 3 249.354 2.999 20 10 BFCDHN C[C@@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1[O-] ZINC000877755877 590417720 /nfs/dbraw/zinc/41/77/20/590417720.db2.gz PVXXIYGJWZOBRI-UMNHJUIQSA-N 0 3 237.368 2.794 20 10 BFCDHN C[C@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1[O-] ZINC000877758011 590417799 /nfs/dbraw/zinc/41/77/99/590417799.db2.gz CSMURPJNVXDXEH-RYUDHWBXSA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1[O-] ZINC000877758237 590418513 /nfs/dbraw/zinc/41/85/13/590418513.db2.gz ONNWCARMJGEYKP-GARJFASQSA-N 0 3 237.368 2.937 20 10 BFCDHN CCO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000879650113 590841685 /nfs/dbraw/zinc/84/16/85/590841685.db2.gz JEENJCDPBMKXCA-NHYWBVRUSA-N 0 3 249.354 2.858 20 10 BFCDHN CCOc1cccc(C[NH2+]C[C@H](C)C2CC2)c1[O-] ZINC000134229734 591903948 /nfs/dbraw/zinc/90/39/48/591903948.db2.gz AOYBKVSHIDXASA-NSHDSACASA-N 0 3 249.354 2.927 20 10 BFCDHN C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000220928392 592380075 /nfs/dbraw/zinc/38/00/75/592380075.db2.gz YFUPFAIZUVKRBF-CABZTGNLSA-N 0 3 223.291 2.810 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1(C2CCC2)CC1 ZINC000829289401 592707854 /nfs/dbraw/zinc/70/78/54/592707854.db2.gz XHFHTYRIKZZRDH-UHFFFAOYSA-N 0 3 217.312 2.815 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccsc1 ZINC000226581866 635436727 /nfs/dbraw/zinc/43/67/27/635436727.db2.gz YPZUPCPUKOBFHG-UHFFFAOYSA-N 0 3 237.299 2.883 20 10 BFCDHN CSCC[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610910 635436047 /nfs/dbraw/zinc/43/60/47/635436047.db2.gz XJLFDDYKAOKXMO-SECBINFHSA-N 0 3 243.347 2.763 20 10 BFCDHN C[C@@H]([NH2+]C/C=C\Cl)c1ccccc1[O-] ZINC000308645366 631464311 /nfs/dbraw/zinc/46/43/11/631464311.db2.gz HGBAYNKZCJDCQL-WQAKUFEDSA-N 0 3 211.692 2.795 20 10 BFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1C ZINC000308929169 631745916 /nfs/dbraw/zinc/74/59/16/631745916.db2.gz QTMCHMCVFVMCDH-JFGNBEQYSA-N 0 3 205.301 2.526 20 10 BFCDHN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccccc1[O-] ZINC000310583071 632760583 /nfs/dbraw/zinc/76/05/83/632760583.db2.gz SEIDQIWNNKXKNB-DGCLKSJQSA-N 0 3 237.343 2.858 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccoc1)c1cc(F)ccc1[O-] ZINC000168738073 633145800 /nfs/dbraw/zinc/14/58/00/633145800.db2.gz XYBGZQSACPIDTK-SECBINFHSA-N 0 3 235.258 2.975 20 10 BFCDHN CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168795433 633149164 /nfs/dbraw/zinc/14/91/64/633149164.db2.gz WHGJFPDGIKGIQU-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN CC1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180140242 633880254 /nfs/dbraw/zinc/88/02/54/633880254.db2.gz WQKANFJSZQATGK-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CC1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180140242 633880257 /nfs/dbraw/zinc/88/02/57/633880257.db2.gz WQKANFJSZQATGK-UHFFFAOYSA-N 0 3 223.291 2.763 20 10 BFCDHN CC[C@@](C)(C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000322659660 636877104 /nfs/dbraw/zinc/87/71/04/636877104.db2.gz ZVLVPFUYJFTKTC-WFASDCNBSA-N 0 3 249.354 2.784 20 10 BFCDHN C[C@H]([NH2+]C1CC=CC1)c1ccccc1[O-] ZINC000163987463 640433814 /nfs/dbraw/zinc/43/38/14/640433814.db2.gz QIXZMAHPZWJOJK-JTQLQIEISA-N 0 3 203.285 2.761 20 10 BFCDHN CCSCCC[NH2+]Cc1ccccc1[O-] ZINC000164018352 640434514 /nfs/dbraw/zinc/43/45/14/640434514.db2.gz IEIIKOYCVCQENR-UHFFFAOYSA-N 0 3 225.357 2.625 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c([O-])c1 ZINC000228069869 640858793 /nfs/dbraw/zinc/85/87/93/640858793.db2.gz ASOOBPJROJBMMG-TUAOUCFPSA-N 0 3 237.343 2.511 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC1(C)C ZINC000732820753 641872495 /nfs/dbraw/zinc/87/24/95/641872495.db2.gz OHVCIYHZASNNEX-JTQLQIEISA-N 0 3 235.327 2.537 20 10 BFCDHN Cc1noc(C)c1CNCc1cc(C)ccc1O ZINC000078638549 641941477 /nfs/dbraw/zinc/94/14/77/641941477.db2.gz DVZCNNMJZSNMOO-UHFFFAOYSA-N 0 3 246.310 2.595 20 10 BFCDHN Cc1ccc(CNCc2cc(C)ccc2O)o1 ZINC000071409224 642456774 /nfs/dbraw/zinc/45/67/74/642456774.db2.gz RXSOJKLFOCOCIS-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN C[C@H]1CC[C@H](C)[NH+]1Cc1ccccc1[O-] ZINC000179586035 642729546 /nfs/dbraw/zinc/72/95/46/642729546.db2.gz WNTPEQAHUBQCGC-QWRGUYRKSA-N 0 3 205.301 2.765 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304626268 643136901 /nfs/dbraw/zinc/13/69/01/643136901.db2.gz UVYFBPKDDPBIBR-KGYLQXTDSA-N 0 3 217.312 2.670 20 10 BFCDHN Cc1ccc(O)c(CN(C)Cc2cccnc2)c1 ZINC000183658622 643151723 /nfs/dbraw/zinc/15/17/23/643151723.db2.gz KYNXOAJMGKYCBL-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1[O-] ZINC000186193973 643650028 /nfs/dbraw/zinc/65/00/28/643650028.db2.gz AJWMPPIQQZFMPP-OPQSFPLASA-N 0 3 247.338 2.753 20 10 BFCDHN CC[C@H]([NH2+]CC1(O)CCCC1)c1ccccc1[O-] ZINC000087016690 644472594 /nfs/dbraw/zinc/47/25/94/644472594.db2.gz KEAYNPSDZHDIBB-ZDUSSCGKSA-N 0 3 249.354 2.738 20 10 BFCDHN CCOC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617984 644719920 /nfs/dbraw/zinc/71/99/20/644719920.db2.gz GKXUHFBLGNTCKE-VHSXEESVSA-N 0 3 241.306 2.607 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)c([O-])c1 ZINC000877628836 645805087 /nfs/dbraw/zinc/80/50/87/645805087.db2.gz NGIOYOMDBZZKBV-ZDUSSCGKSA-N 0 3 247.338 2.502 20 10 BFCDHN CC1CC(C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000929976527 646382030 /nfs/dbraw/zinc/38/20/30/646382030.db2.gz PJVCOMJXSWVKHT-UHFFFAOYSA-N 0 3 219.328 2.870 20 10 BFCDHN CC1CC(C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000929976527 646382036 /nfs/dbraw/zinc/38/20/36/646382036.db2.gz PJVCOMJXSWVKHT-UHFFFAOYSA-N 0 3 219.328 2.870 20 10 BFCDHN CCOc1ccc(C[NH2+][C@@H](C)CC)c([O-])c1 ZINC000390485109 712418976 /nfs/dbraw/zinc/41/89/76/712418976.db2.gz OJRPKRURQVLBPU-JTQLQIEISA-N 0 3 223.316 2.679 20 10 BFCDHN CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000721207945 712898617 /nfs/dbraw/zinc/89/86/17/712898617.db2.gz PHXPXLHALUDQNA-KGLIPLIRSA-N 0 3 249.354 2.830 20 10 BFCDHN CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000381537076 710653068 /nfs/dbraw/zinc/65/30/68/710653068.db2.gz GAUZPYNXRMVGME-NSHDSACASA-N 0 3 217.312 2.769 20 10 BFCDHN CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1ccccc1[O-] ZINC000386891600 711038107 /nfs/dbraw/zinc/03/81/07/711038107.db2.gz NNCOKCVQKWCDKB-DRZSPHRISA-N 0 3 237.343 2.592 20 10 BFCDHN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1[O-] ZINC000389651508 711085612 /nfs/dbraw/zinc/08/56/12/711085612.db2.gz WHEFOXZDZUZPMX-SCVCMEIPSA-N 0 3 205.301 2.841 20 10 BFCDHN CC[C@H]([NH2+]CCC1(CO)CC1)c1ccccc1[O-] ZINC000395942240 711216715 /nfs/dbraw/zinc/21/67/15/711216715.db2.gz PNRRMCKRDMQKFN-ZDUSSCGKSA-N 0 3 249.354 2.596 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c([O-])c1 ZINC000398143690 711402709 /nfs/dbraw/zinc/40/27/09/711402709.db2.gz KMUAAEWPXMAGSM-RWMBFGLXSA-N 0 3 249.354 2.919 20 10 BFCDHN C[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)O1 ZINC000398237516 711405630 /nfs/dbraw/zinc/40/56/30/711405630.db2.gz XDUCBQMLBHQMGE-RTXFEEFZSA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000398551868 711411998 /nfs/dbraw/zinc/41/19/98/711411998.db2.gz GVSJCVDMXDFFFN-NWDGAFQWSA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381382305 710630614 /nfs/dbraw/zinc/63/06/14/710630614.db2.gz LPOKWNDJTKIYTO-USWWRNFRSA-N 0 3 217.312 2.768 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381635272 710663942 /nfs/dbraw/zinc/66/39/42/710663942.db2.gz OCDGDSRSVASLQN-SNVBAGLBSA-N 0 3 227.254 2.670 20 10 BFCDHN C[C@H]1C[C@H]([NH2+]CCF)c2c1c(F)ccc2[O-] ZINC000393785056 710692474 /nfs/dbraw/zinc/69/24/74/710692474.db2.gz WZFTUVWTGRLVCS-CBAPKCEASA-N 0 3 227.254 2.639 20 10 BFCDHN CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000389983115 711101771 /nfs/dbraw/zinc/10/17/71/711101771.db2.gz KKCKLFTZLULHOG-JQWIXIFHSA-N 0 3 205.301 2.670 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000038043884 711481476 /nfs/dbraw/zinc/48/14/76/711481476.db2.gz NTWSSSBOXUGPJZ-JSGCOSHPSA-N 0 3 249.354 2.860 20 10 BFCDHN C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)O1 ZINC000398237512 711709835 /nfs/dbraw/zinc/70/98/35/711709835.db2.gz XDUCBQMLBHQMGE-KGYLQXTDSA-N 0 3 247.338 2.537 20 10 BFCDHN CC1(C)C[C@@]1(C)[NH2+]Cc1ccccc1[O-] ZINC000702030428 712036789 /nfs/dbraw/zinc/03/67/89/712036789.db2.gz NDZRFKPPHLUJBZ-CYBMUJFWSA-N 0 3 205.301 2.670 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CC1=CCCC1 ZINC000702369393 712048714 /nfs/dbraw/zinc/04/87/14/712048714.db2.gz ZDORQSHESMTPSQ-UHFFFAOYSA-N 0 3 221.275 2.731 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccccc1[O-] ZINC000706483234 712147599 /nfs/dbraw/zinc/14/75/99/712147599.db2.gz IEBBVTLYVPMXLL-GVXVVHGQSA-N 0 3 235.327 2.610 20 10 BFCDHN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000708729562 712198241 /nfs/dbraw/zinc/19/82/41/712198241.db2.gz ZBVYVMKMCMKZTL-RWMBFGLXSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1cccc(CN2CCO[C@@H](C(C)C)C2)c1O ZINC000709019585 712206028 /nfs/dbraw/zinc/20/60/28/712206028.db2.gz KMWLPNNQSUDZTL-CQSZACIVSA-N 0 3 249.354 2.557 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711485062 712306398 /nfs/dbraw/zinc/30/63/98/712306398.db2.gz WDFPXFQJBWNBDI-ZDUSSCGKSA-N 0 3 247.338 2.584 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C1(C2CC2)CCC1 ZINC000717829421 712682222 /nfs/dbraw/zinc/68/22/22/712682222.db2.gz LUSALDWHSXUWLZ-UHFFFAOYSA-N 0 3 235.302 2.954 20 10 BFCDHN C[C@]1(CF)CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550530 966680325 /nfs/dbraw/zinc/68/03/25/966680325.db2.gz XZOONAVFPBYNCI-CYBMUJFWSA-N 0 3 223.291 2.574 20 10 BFCDHN C[C@]1(CF)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550530 966680334 /nfs/dbraw/zinc/68/03/34/966680334.db2.gz XZOONAVFPBYNCI-CYBMUJFWSA-N 0 3 223.291 2.574 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC001238060334 980134659 /nfs/dbraw/zinc/13/46/59/980134659.db2.gz HUAHDUKJPTWARJ-SECBINFHSA-N 0 3 223.291 2.682 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC001238060334 980134664 /nfs/dbraw/zinc/13/46/64/980134664.db2.gz HUAHDUKJPTWARJ-SECBINFHSA-N 0 3 223.291 2.682 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@H](CC)CO1 ZINC000403888194 971086320 /nfs/dbraw/zinc/08/63/20/971086320.db2.gz VVDYMKKWDRFIKZ-ZIAGYGMSSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@H](CC)CO1 ZINC000403888194 971086329 /nfs/dbraw/zinc/08/63/29/971086329.db2.gz VVDYMKKWDRFIKZ-ZIAGYGMSSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000091930329 957044284 /nfs/dbraw/zinc/04/42/84/957044284.db2.gz MKXKUTQNVOGTCV-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000091930329 957044294 /nfs/dbraw/zinc/04/42/94/957044294.db2.gz MKXKUTQNVOGTCV-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c([O-])c1 ZINC000316829727 972295623 /nfs/dbraw/zinc/29/56/23/972295623.db2.gz VREFXRNJELHOCI-IAQYHMDHSA-N 0 3 249.354 2.512 20 10 BFCDHN CC(C)OCC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC001172435243 974666110 /nfs/dbraw/zinc/66/61/10/974666110.db2.gz ZZLJDFXGDIXFFC-LBPRGKRZSA-N 0 3 237.343 2.685 20 10 BFCDHN CC(C)(C)OCCC[NH2+]Cc1ccccc1[O-] ZINC000695263959 960177014 /nfs/dbraw/zinc/17/70/14/960177014.db2.gz WJUSEMNZKIQEIK-UHFFFAOYSA-N 0 3 237.343 2.687 20 10 BFCDHN Cc1ccc(C[N@H+](C)CC2CCC2)c([O-])c1 ZINC001140950059 960741403 /nfs/dbraw/zinc/74/14/03/960741403.db2.gz SVBNIVWCCWODDK-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@@H+](C)CC2CCC2)c([O-])c1 ZINC001140950059 960741422 /nfs/dbraw/zinc/74/14/22/960741422.db2.gz SVBNIVWCCWODDK-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCCC23CC3)c([O-])c1 ZINC001140948290 960745583 /nfs/dbraw/zinc/74/55/83/960745583.db2.gz BSHFMKYBFMQHKN-UHFFFAOYSA-N 0 3 217.312 2.829 20 10 BFCDHN Cc1ccc(C[N@H+]2CCCC23CC3)c([O-])c1 ZINC001140948290 960745600 /nfs/dbraw/zinc/74/56/00/960745600.db2.gz BSHFMKYBFMQHKN-UHFFFAOYSA-N 0 3 217.312 2.829 20 10 BFCDHN CCCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140949566 960745693 /nfs/dbraw/zinc/74/56/93/960745693.db2.gz DXDQGRNALZQSJA-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CCCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140949566 960745701 /nfs/dbraw/zinc/74/57/01/960745701.db2.gz DXDQGRNALZQSJA-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000402057333 961737199 /nfs/dbraw/zinc/73/71/99/961737199.db2.gz RYIMGNJEQZUODZ-SDDRHHMPSA-N 0 3 235.327 2.529 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCO[C@@H](C)C1 ZINC001168136489 963834313 /nfs/dbraw/zinc/83/43/13/963834313.db2.gz KHEZCUXAVQOMJE-JSGCOSHPSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCO[C@@H](C)C1 ZINC001168136489 963834314 /nfs/dbraw/zinc/83/43/14/963834314.db2.gz KHEZCUXAVQOMJE-JSGCOSHPSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(F)ccc1[O-] ZINC000698279319 965169651 /nfs/dbraw/zinc/16/96/51/965169651.db2.gz VDJRHPCBKRTVKG-KOLCDFICSA-N 0 3 221.275 2.901 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccccc1[O-] ZINC000696140081 965246864 /nfs/dbraw/zinc/24/68/64/965246864.db2.gz XDRQYFWBZZCSIT-WCQYABFASA-N 0 3 249.354 2.594 20 10 BFCDHN CC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487800 966664240 /nfs/dbraw/zinc/66/42/40/966664240.db2.gz NGXHTBFLYZLKSW-ZDUSSCGKSA-N 0 3 247.338 2.502 20 10 BFCDHN CC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487800 966664247 /nfs/dbraw/zinc/66/42/47/966664247.db2.gz NGXHTBFLYZLKSW-ZDUSSCGKSA-N 0 3 247.338 2.502 20 10 BFCDHN COc1ccc(C[N@@H+]2C[C@H](C)CC23CC3)c([O-])c1 ZINC001203634703 966712870 /nfs/dbraw/zinc/71/28/70/966712870.db2.gz RTQCUJPUPQETKZ-LLVKDONJSA-N 0 3 247.338 2.775 20 10 BFCDHN COc1ccc(C[N@H+]2C[C@H](C)CC23CC3)c([O-])c1 ZINC001203634703 966712877 /nfs/dbraw/zinc/71/28/77/966712877.db2.gz RTQCUJPUPQETKZ-LLVKDONJSA-N 0 3 247.338 2.775 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)Cc1ccno1)c1ccccc1[O-] ZINC001207159624 968664406 /nfs/dbraw/zinc/66/44/06/968664406.db2.gz JGQBBDWFGZCXQS-WDEREUQCSA-N 0 3 246.310 2.662 20 10 BFCDHN CC[C@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235446 970609649 /nfs/dbraw/zinc/60/96/49/970609649.db2.gz MIENZFXUFYRZBM-KGLIPLIRSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC001170235446 970609655 /nfs/dbraw/zinc/60/96/55/970609655.db2.gz MIENZFXUFYRZBM-KGLIPLIRSA-N 0 3 249.354 2.782 20 10 BFCDHN [O-]c1ccccc1C[NH2+]Cc1cccn1C1CC1 ZINC001327947246 972825965 /nfs/dbraw/zinc/82/59/65/972825965.db2.gz YSVGJAWZBRLIIZ-UHFFFAOYSA-N 0 3 242.322 2.818 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1COC(C)(C)C1 ZINC001172288959 974555186 /nfs/dbraw/zinc/55/51/86/974555186.db2.gz PAIYQUKJNDJDML-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1COC(C)(C)C1 ZINC001172288959 974555192 /nfs/dbraw/zinc/55/51/92/974555192.db2.gz PAIYQUKJNDJDML-ZDUSSCGKSA-N 0 3 249.354 2.782 20 10 BFCDHN CCSC[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001173311029 975219880 /nfs/dbraw/zinc/21/98/80/975219880.db2.gz JJLVHOFPDNZICD-LLVKDONJSA-N 0 3 239.384 2.966 20 10 BFCDHN CCSC[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001173311029 975219887 /nfs/dbraw/zinc/21/98/87/975219887.db2.gz JJLVHOFPDNZICD-LLVKDONJSA-N 0 3 239.384 2.966 20 10 BFCDHN CCc1cccc(O)c1Nc1ccncc1C ZINC001174538191 976826267 /nfs/dbraw/zinc/82/62/67/976826267.db2.gz FABBUMGZJROSNI-UHFFFAOYSA-N 0 3 228.295 2.824 20 10 BFCDHN CCc1cc(Nc2cc(F)ccc2O)ccn1 ZINC001174625745 976895244 /nfs/dbraw/zinc/89/52/44/976895244.db2.gz KYJZPCBIIFDYPS-UHFFFAOYSA-N 0 3 232.258 2.654 20 10 BFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001231586473 977633289 /nfs/dbraw/zinc/63/32/89/977633289.db2.gz IHLPPRCJPBCESZ-BETUJISGSA-N 0 3 239.318 2.997 20 10 BFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001231586473 977633295 /nfs/dbraw/zinc/63/32/95/977633295.db2.gz IHLPPRCJPBCESZ-BETUJISGSA-N 0 3 239.318 2.997 20 10 BFCDHN Cc1cc(C)c(CN2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC001231850087 977756886 /nfs/dbraw/zinc/75/68/86/977756886.db2.gz ZOMIEHCAELOTQM-CHWSQXEVSA-N 0 3 249.354 2.618 20 10 BFCDHN Cc1cc(C)c(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001231842632 977762042 /nfs/dbraw/zinc/76/20/42/977762042.db2.gz VVSYQXCYDZMLCT-CHWSQXEVSA-N 0 3 249.354 2.618 20 10 BFCDHN [O-]c1cc(O)ccc1C[NH+]1CC2CCC(CC2)C1 ZINC001204279654 978949005 /nfs/dbraw/zinc/94/90/05/978949005.db2.gz FAHJFSCSWMWKCC-UHFFFAOYSA-N 0 3 247.338 2.720 20 10 BFCDHN CCc1ccc(C[NH+]2CC3(CCC3)C2)c([O-])c1 ZINC001236785347 979731747 /nfs/dbraw/zinc/73/17/47/979731747.db2.gz HRUCHHYSXRLKKB-UHFFFAOYSA-N 0 3 231.339 2.941 20 10 BFCDHN CCc1ccc(CN2CCC[C@@H](F)C2)c(O)c1 ZINC001236788686 979732515 /nfs/dbraw/zinc/73/25/15/979732515.db2.gz NDAOTSHZCZROPP-CYBMUJFWSA-N 0 3 237.318 2.889 20 10 BFCDHN CCc1ccc(C[N@H+](C)C(C)C)c([O-])c1 ZINC001236783954 979733273 /nfs/dbraw/zinc/73/32/73/979733273.db2.gz PVTSZXVMDAXLGF-UHFFFAOYSA-N 0 3 207.317 2.795 20 10 BFCDHN CCc1ccc(C[N@@H+](C)C(C)C)c([O-])c1 ZINC001236783954 979733286 /nfs/dbraw/zinc/73/32/86/979733286.db2.gz PVTSZXVMDAXLGF-UHFFFAOYSA-N 0 3 207.317 2.795 20 10 BFCDHN CCc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001236786898 979733489 /nfs/dbraw/zinc/73/34/89/979733489.db2.gz RWNGWZIXKQATSX-MELADBBJSA-N 0 3 249.329 2.744 20 10 BFCDHN CCc1ccc(C[N@@H+]2CC[C@@H]2C)c([O-])c1 ZINC001236783584 979733779 /nfs/dbraw/zinc/73/37/79/979733779.db2.gz MMOBCUQZIFHCBI-JTQLQIEISA-N 0 3 205.301 2.549 20 10 BFCDHN CCc1ccc(C[N@H+]2CC[C@@H]2C)c([O-])c1 ZINC001236783584 979733789 /nfs/dbraw/zinc/73/37/89/979733789.db2.gz MMOBCUQZIFHCBI-JTQLQIEISA-N 0 3 205.301 2.549 20 10 BFCDHN CCc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC001236789313 979734838 /nfs/dbraw/zinc/73/48/38/979734838.db2.gz VGGFQSKIEWUAHQ-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC001236789313 979734848 /nfs/dbraw/zinc/73/48/48/979734848.db2.gz VGGFQSKIEWUAHQ-CQSZACIVSA-N 0 3 249.354 2.565 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC001236808123 979737090 /nfs/dbraw/zinc/73/70/90/979737090.db2.gz NCENQQWDTJQPGP-SNVBAGLBSA-N 0 3 235.327 2.551 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC001236808123 979737103 /nfs/dbraw/zinc/73/71/03/979737103.db2.gz NCENQQWDTJQPGP-SNVBAGLBSA-N 0 3 235.327 2.551 20 10 BFCDHN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C(C)C ZINC001236817716 979738541 /nfs/dbraw/zinc/73/85/41/979738541.db2.gz GSDJOFVVVSDAKW-UHFFFAOYSA-N 0 3 237.343 2.940 20 10 BFCDHN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C(C)C ZINC001236817716 979738550 /nfs/dbraw/zinc/73/85/50/979738550.db2.gz GSDJOFVVVSDAKW-UHFFFAOYSA-N 0 3 237.343 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)CCC2CC2)c([O-])c1 ZINC001236817730 979743576 /nfs/dbraw/zinc/74/35/76/979743576.db2.gz GFHIMVSCIUSDOL-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)CCC2CC2)c([O-])c1 ZINC001236817730 979743588 /nfs/dbraw/zinc/74/35/88/979743588.db2.gz GFHIMVSCIUSDOL-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC(C)(C)C2)c([O-])c1 ZINC001236813355 979744681 /nfs/dbraw/zinc/74/46/81/979744681.db2.gz IYKYODGBRVHXJA-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC(C)(C)C2)c([O-])c1 ZINC001236813355 979744697 /nfs/dbraw/zinc/74/46/97/979744697.db2.gz IYKYODGBRVHXJA-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001236820259 979745795 /nfs/dbraw/zinc/74/57/95/979745795.db2.gz IIPBUYCXYNABAI-SMDDNHRTSA-N 0 3 247.338 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001236820259 979745803 /nfs/dbraw/zinc/74/58/03/979745803.db2.gz IIPBUYCXYNABAI-SMDDNHRTSA-N 0 3 247.338 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+](C)C(C)C)c([O-])c1 ZINC001236817057 979748762 /nfs/dbraw/zinc/74/87/62/979748762.db2.gz CGOQCNTVXSEVKZ-UHFFFAOYSA-N 0 3 223.316 2.549 20 10 BFCDHN COc1cc(C)c(C[N@@H+](C)C(C)C)c([O-])c1 ZINC001236817057 979748769 /nfs/dbraw/zinc/74/87/69/979748769.db2.gz CGOQCNTVXSEVKZ-UHFFFAOYSA-N 0 3 223.316 2.549 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CCC(CF)CC1 ZINC001237490545 979918558 /nfs/dbraw/zinc/91/85/58/979918558.db2.gz WBJDQXRBVQIZDF-UHFFFAOYSA-N 0 3 237.318 2.882 20 10 BFCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc[nH]1 ZINC001201832955 983491920 /nfs/dbraw/zinc/49/19/20/983491920.db2.gz IQDZNFZYOHIOSV-LLVKDONJSA-N 0 3 242.322 2.800 20 10 BFCDHN CC[C@]1(C)COCCN1Cc1cc(C)ccc1O ZINC000687967047 985425003 /nfs/dbraw/zinc/42/50/03/985425003.db2.gz VBTZFGUNTSYZAJ-OAHLLOKOSA-N 0 3 249.354 2.702 20 10 BFCDHN C[C@@H]([NH2+]Cc1cccc(N)c1)c1ccccc1[O-] ZINC001460636485 985867595 /nfs/dbraw/zinc/86/75/95/985867595.db2.gz JKUDHPQWZYAHNE-LLVKDONJSA-N 0 3 242.322 2.825 20 10 BFCDHN C[C@@]1(C[N@@H+]2Cc3cccc([O-])c3C2)CCCCO1 ZINC001474677572 987798990 /nfs/dbraw/zinc/79/89/90/987798990.db2.gz PYKQPNSDCAKBJG-HNNXBMFYSA-N 0 3 247.338 2.667 20 10 BFCDHN C[C@@]1(C[N@H+]2Cc3cccc([O-])c3C2)CCCCO1 ZINC001474677572 987798999 /nfs/dbraw/zinc/79/89/99/987798999.db2.gz PYKQPNSDCAKBJG-HNNXBMFYSA-N 0 3 247.338 2.667 20 10 BFCDHN Cc1cc(CN2CC(C)(C)C2)ccc1N(C)C ZINC001139670145 990804994 /nfs/dbraw/zinc/80/49/94/990804994.db2.gz XTNUEJSONQGEKG-UHFFFAOYSA-N 0 3 232.371 2.903 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c([O-])c1 ZINC001308569420 991041762 /nfs/dbraw/zinc/04/17/62/991041762.db2.gz IBYURCJAXNEDPG-PWSUYJOCSA-N 0 3 249.354 2.940 20 10 BFCDHN COc1cc(C)c(C[N@H+]2C[C@H](C)C[C@@H]2C)c([O-])c1 ZINC001308569420 991041767 /nfs/dbraw/zinc/04/17/67/991041767.db2.gz IBYURCJAXNEDPG-PWSUYJOCSA-N 0 3 249.354 2.940 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001140059965 991511304 /nfs/dbraw/zinc/51/13/04/991511304.db2.gz DDILSERQHLQSPL-JOYOIKCWSA-N 0 3 221.275 2.516 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001140059965 991511315 /nfs/dbraw/zinc/51/13/15/991511315.db2.gz DDILSERQHLQSPL-JOYOIKCWSA-N 0 3 221.275 2.516 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]2C2CC2)c([O-])c1 ZINC001560843595 991622353 /nfs/dbraw/zinc/62/23/53/991622353.db2.gz DQRSBHMVRADMRB-AWEZNQCLSA-N 0 3 247.338 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@H]2C2CC2)c([O-])c1 ZINC001560843595 991622357 /nfs/dbraw/zinc/62/23/57/991622357.db2.gz DQRSBHMVRADMRB-AWEZNQCLSA-N 0 3 247.338 2.694 20 10 BFCDHN Cc1ccc(C[NH2+]C/C=C/C2CC2)c([O-])c1 ZINC001262010546 992595265 /nfs/dbraw/zinc/59/52/65/992595265.db2.gz JDIFOBNPNBONJA-NSCUHMNNSA-N 0 3 217.312 2.756 20 10 BFCDHN Cc1cc(Cl)cc(C[N@@H+](C)C2CC2)c1[O-] ZINC000179691028 178063350 /nfs/dbraw/zinc/06/33/50/178063350.db2.gz GSAFVALTAWLDHG-UHFFFAOYSA-N 0 3 225.719 2.948 20 10 BFCDHN Cc1cc(Cl)cc(C[N@H+](C)C2CC2)c1[O-] ZINC000179691028 178063354 /nfs/dbraw/zinc/06/33/54/178063354.db2.gz GSAFVALTAWLDHG-UHFFFAOYSA-N 0 3 225.719 2.948 20 10 BFCDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCO2)cc1C ZINC000151702990 178196188 /nfs/dbraw/zinc/19/61/88/178196188.db2.gz CQJMFQKRTLKHDM-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCO2)cc1C ZINC000151702990 178196190 /nfs/dbraw/zinc/19/61/90/178196190.db2.gz CQJMFQKRTLKHDM-AWEZNQCLSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1C ZINC000271307829 178197751 /nfs/dbraw/zinc/19/77/51/178197751.db2.gz WATLPLHEXUIJFG-JSGCOSHPSA-N 0 3 249.354 2.666 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])CC1CC1 ZINC000125667625 345089189 /nfs/dbraw/zinc/08/91/89/345089189.db2.gz LRTXDQICVKMMSI-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])CC1CC1 ZINC000125667625 345089191 /nfs/dbraw/zinc/08/91/91/345089191.db2.gz LRTXDQICVKMMSI-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOCC2)c([O-])c1 ZINC000186234739 178848973 /nfs/dbraw/zinc/84/89/73/178848973.db2.gz ZCGAKOZXAIQOLB-OLZOCXBDSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])C[C@@H](C)OC ZINC000291025217 346247247 /nfs/dbraw/zinc/24/72/47/346247247.db2.gz DDMCNVOTWWRPJN-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1cc(C)ccc1[O-])C[C@@H](C)OC ZINC000291025217 346247251 /nfs/dbraw/zinc/24/72/51/346247251.db2.gz DDMCNVOTWWRPJN-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1[O-] ZINC000156207485 346363723 /nfs/dbraw/zinc/36/37/23/346363723.db2.gz XVOLAHBQOYLHRC-CQSZACIVSA-N 0 3 244.338 2.972 20 10 BFCDHN Cc1cccc(C[N@@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000179714719 179070446 /nfs/dbraw/zinc/07/04/46/179070446.db2.gz QSBXGMVHNXQXPK-LLVKDONJSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000179714719 179070448 /nfs/dbraw/zinc/07/04/48/179070448.db2.gz QSBXGMVHNXQXPK-LLVKDONJSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000162816647 179080308 /nfs/dbraw/zinc/08/03/08/179080308.db2.gz BLDASYKWTWLUGF-SNVBAGLBSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000162816647 179080311 /nfs/dbraw/zinc/08/03/11/179080311.db2.gz BLDASYKWTWLUGF-SNVBAGLBSA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc(C[N@H+]2CCSC[C@H]2C)c1[O-] ZINC000180246369 179080657 /nfs/dbraw/zinc/08/06/57/179080657.db2.gz JGONIZFDWHGBIU-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[N@@H+]2CCSC[C@H]2C)c1[O-] ZINC000180246369 179080658 /nfs/dbraw/zinc/08/06/58/179080658.db2.gz JGONIZFDWHGBIU-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1cccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1[O-] ZINC000162820226 179081864 /nfs/dbraw/zinc/08/18/64/179081864.db2.gz YHSLIBMTTBWANZ-VXGBXAGGSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1cccc(CN[C@@H](C)c2ccccn2)c1O ZINC000161121603 179098357 /nfs/dbraw/zinc/09/83/57/179098357.db2.gz QUMXBHJSQDQZIA-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H](C)C2CC2)c1[O-] ZINC000162825206 179095809 /nfs/dbraw/zinc/09/58/09/179095809.db2.gz FGDWGUXRZQUTIY-JTQLQIEISA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CCCSC2)c1[O-] ZINC000162691617 179101874 /nfs/dbraw/zinc/10/18/74/179101874.db2.gz RZJDRWOCDIULNS-LBPRGKRZSA-N 0 3 237.368 2.686 20 10 BFCDHN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000168824734 346744547 /nfs/dbraw/zinc/74/45/47/346744547.db2.gz DLJVOMDDUDZAEA-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000037718855 179282439 /nfs/dbraw/zinc/28/24/39/179282439.db2.gz PFJJQJNCNCFVBY-UHFFFAOYSA-N 0 3 227.307 2.990 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000279983247 351830778 /nfs/dbraw/zinc/83/07/78/351830778.db2.gz DTYHAXVQUNJOAC-TZMCWYRMSA-N 0 3 249.354 2.920 20 10 BFCDHN CC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280154007 351835180 /nfs/dbraw/zinc/83/51/80/351835180.db2.gz QHPISULSNDLYBQ-TZMCWYRMSA-N 0 3 249.354 2.778 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1ccccc1[O-] ZINC000156853909 352583082 /nfs/dbraw/zinc/58/30/82/352583082.db2.gz JPEYRQYPASFDFM-KGLIPLIRSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1 ZINC000271266868 188090798 /nfs/dbraw/zinc/09/07/98/188090798.db2.gz BQKJKTHZLOYLOT-STQMWFEESA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000227340428 188184495 /nfs/dbraw/zinc/18/44/95/188184495.db2.gz CSJDLZDQMJZNJX-CQSZACIVSA-N 0 3 249.354 2.749 20 10 BFCDHN CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000163213223 188184598 /nfs/dbraw/zinc/18/45/98/188184598.db2.gz VWMLSMAZELJVAJ-HIFRSBDPSA-N 0 3 249.354 2.685 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCOCC2CC2)c([O-])c1 ZINC000230661322 353521855 /nfs/dbraw/zinc/52/18/55/353521855.db2.gz XNNIAWFRARQAQE-GFCCVEGCSA-N 0 3 249.354 2.778 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000180162296 183274906 /nfs/dbraw/zinc/27/49/06/183274906.db2.gz ODXFONZPXFCAFS-GHMZBOCLSA-N 0 3 235.302 2.763 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000179946491 183275208 /nfs/dbraw/zinc/27/52/08/183275208.db2.gz FTTDBNSHESFUTC-JOYOIKCWSA-N 0 3 221.275 2.516 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000179946491 183275211 /nfs/dbraw/zinc/27/52/11/183275211.db2.gz FTTDBNSHESFUTC-JOYOIKCWSA-N 0 3 221.275 2.516 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000180164040 183275432 /nfs/dbraw/zinc/27/54/32/183275432.db2.gz BXHFURNEKOVQSF-UHFFFAOYSA-N 0 3 235.302 2.907 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000180164040 183275433 /nfs/dbraw/zinc/27/54/33/183275433.db2.gz BXHFURNEKOVQSF-UHFFFAOYSA-N 0 3 235.302 2.907 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000361054106 183301687 /nfs/dbraw/zinc/30/16/87/183301687.db2.gz UASOCIXATLPZFG-GFCCVEGCSA-N 0 3 217.312 2.624 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000361054106 183301691 /nfs/dbraw/zinc/30/16/91/183301691.db2.gz UASOCIXATLPZFG-GFCCVEGCSA-N 0 3 217.312 2.624 20 10 BFCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577256 183302978 /nfs/dbraw/zinc/30/29/78/183302978.db2.gz QEDNCTKSOQFKFI-UHFFFAOYSA-N 0 3 249.260 2.960 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC=CCC1 ZINC000076771117 183303081 /nfs/dbraw/zinc/30/30/81/183303081.db2.gz ZBBHUTDIYMBHKT-GFCCVEGCSA-N 0 3 203.285 2.591 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCOC1CCCCC1 ZINC000111607915 183303512 /nfs/dbraw/zinc/30/35/12/183303512.db2.gz NOEUKVWAPLUEHK-UHFFFAOYSA-N 0 3 249.354 2.831 20 10 BFCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)OC ZINC000182203394 169178332 /nfs/dbraw/zinc/17/83/32/169178332.db2.gz XYXDDZHPOAFECC-LBPRGKRZSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](C)OC ZINC000182203394 169178333 /nfs/dbraw/zinc/17/83/33/169178333.db2.gz XYXDDZHPOAFECC-LBPRGKRZSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)COC ZINC000076074209 169179122 /nfs/dbraw/zinc/17/91/22/169179122.db2.gz DYOAOLKFCZROIL-GFCCVEGCSA-N 0 3 237.343 2.639 20 10 BFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)COC ZINC000076074209 169179124 /nfs/dbraw/zinc/17/91/24/169179124.db2.gz DYOAOLKFCZROIL-GFCCVEGCSA-N 0 3 237.343 2.639 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C2CC2)c1 ZINC000070955174 383972628 /nfs/dbraw/zinc/97/26/28/383972628.db2.gz YNDSJLLGJKQSNW-JTQLQIEISA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000070955750 384143972 /nfs/dbraw/zinc/14/39/72/384143972.db2.gz XBERAGVIKDVRBH-DGCLKSJQSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)CC(C)C)c1 ZINC000132524669 384194718 /nfs/dbraw/zinc/19/47/18/384194718.db2.gz FNDQOMIDHZUTSF-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)CC(C)C)c1 ZINC000132524669 384194724 /nfs/dbraw/zinc/19/47/24/384194724.db2.gz FNDQOMIDHZUTSF-UHFFFAOYSA-N 0 3 207.317 2.788 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C)c1 ZINC000132644604 384198384 /nfs/dbraw/zinc/19/83/84/384198384.db2.gz UQHDSRULNPAZMW-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000132644604 384198387 /nfs/dbraw/zinc/19/83/87/384198387.db2.gz UQHDSRULNPAZMW-LLVKDONJSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000132466308 384231183 /nfs/dbraw/zinc/23/11/83/384231183.db2.gz URLBJDZOHMWJQU-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000132466308 384231190 /nfs/dbraw/zinc/23/11/90/384231190.db2.gz URLBJDZOHMWJQU-LBPRGKRZSA-N 0 3 219.328 2.933 20 10 BFCDHN CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000072926520 384237658 /nfs/dbraw/zinc/23/76/58/384237658.db2.gz BFSNYBVENUGLIL-HIFRSBDPSA-N 0 3 249.354 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000132597097 384238662 /nfs/dbraw/zinc/23/86/62/384238662.db2.gz HIIMPNNNTSOWFG-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000132597097 384238666 /nfs/dbraw/zinc/23/86/66/384238666.db2.gz HIIMPNNNTSOWFG-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CCOc1cccc(C[N@H+](C)CC(C)C)c1[O-] ZINC000132032308 384211486 /nfs/dbraw/zinc/21/14/86/384211486.db2.gz RUZOPXWLAXRZKX-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CCOc1cccc(C[N@@H+](C)CC(C)C)c1[O-] ZINC000132032308 384211494 /nfs/dbraw/zinc/21/14/94/384211494.db2.gz RUZOPXWLAXRZKX-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1ccc(CNC[C@H]2CCCCO2)cc1C ZINC000042816878 384247685 /nfs/dbraw/zinc/24/76/85/384247685.db2.gz PDYBKVDQTMOGQI-CQSZACIVSA-N 0 3 249.354 2.662 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000093661135 384257294 /nfs/dbraw/zinc/25/72/94/384257294.db2.gz DQAOKRXGWMRMMP-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000093661135 384257297 /nfs/dbraw/zinc/25/72/97/384257297.db2.gz DQAOKRXGWMRMMP-BETUJISGSA-N 0 3 231.339 2.788 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCO)c([O-])c1 ZINC000094942340 384318867 /nfs/dbraw/zinc/31/88/67/384318867.db2.gz NNJWYSRPVANAFM-VXGBXAGGSA-N 0 3 237.343 2.512 20 10 BFCDHN CC[C@H](COC)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000079733419 384512210 /nfs/dbraw/zinc/51/22/10/384512210.db2.gz MIKZQRCHQRLSJL-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H](COC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000079733267 384511310 /nfs/dbraw/zinc/51/13/10/384511310.db2.gz UNWORSGGZWJVFC-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000079756299 384513954 /nfs/dbraw/zinc/51/39/54/384513954.db2.gz UNWORSGGZWJVFC-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1[O-] ZINC000183645721 384543686 /nfs/dbraw/zinc/54/36/86/384543686.db2.gz RLVFPLLOMQXBTL-VXGBXAGGSA-N 0 3 235.327 2.612 20 10 BFCDHN C[C@@H]([NH2+]C1CCCC1)c1ccccc1[O-] ZINC000019883423 384548281 /nfs/dbraw/zinc/54/82/81/384548281.db2.gz DUKQTDSSOKXMSS-SNVBAGLBSA-N 0 3 205.301 2.985 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c([O-])c1 ZINC000020092493 384575430 /nfs/dbraw/zinc/57/54/30/384575430.db2.gz SZNFZEFHJCYCSR-NEPJUHHUSA-N 0 3 235.327 2.530 20 10 BFCDHN CSC(C)(C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162685678 384667202 /nfs/dbraw/zinc/66/72/02/384667202.db2.gz TWLYNQDSJNKOTG-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN C[C@H]([NH2+]C1CCC1)c1cc(F)ccc1[O-] ZINC000087111397 384738363 /nfs/dbraw/zinc/73/83/63/384738363.db2.gz SMSGEHMHOJGPST-QMMMGPOBSA-N 0 3 209.264 2.734 20 10 BFCDHN COCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000083941611 384823073 /nfs/dbraw/zinc/82/30/73/384823073.db2.gz IHJPHASCZXEYNS-RYUDHWBXSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC2CCOCC2)c([O-])c1 ZINC000104204425 384813904 /nfs/dbraw/zinc/81/39/04/384813904.db2.gz JCIHFUIYRWJQKW-LBPRGKRZSA-N 0 3 249.354 2.778 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000128117132 384995931 /nfs/dbraw/zinc/99/59/31/384995931.db2.gz ILBPRQMPLHTOKQ-GDLCADMTSA-N 0 3 249.354 2.511 20 10 BFCDHN CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111307 385074997 /nfs/dbraw/zinc/07/49/97/385074997.db2.gz JNVNYKKOSFLZDR-BDAKNGLRSA-N 0 3 211.280 2.980 20 10 BFCDHN CS[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000164637484 385024830 /nfs/dbraw/zinc/02/48/30/385024830.db2.gz NOEMCLDRZGLXAE-BDAKNGLRSA-N 0 3 243.347 2.933 20 10 BFCDHN CO[C@](C)(C[NH2+]Cc1cc(C)ccc1[O-])C1CC1 ZINC000291076957 385193171 /nfs/dbraw/zinc/19/31/71/385193171.db2.gz TYGNMVRQQHZPMK-OAHLLOKOSA-N 0 3 249.354 2.605 20 10 BFCDHN CC(C)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000165594721 385152188 /nfs/dbraw/zinc/15/21/88/385152188.db2.gz FDGRMMRPGWQCCN-UHFFFAOYSA-N 0 3 219.328 2.918 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCC2)c([O-])c1 ZINC000052207483 385244530 /nfs/dbraw/zinc/24/45/30/385244530.db2.gz ZCIQDVOQAIIHIP-SNVBAGLBSA-N 0 3 205.301 2.904 20 10 BFCDHN CC[C@@]1(C)CN(Cc2cccc(C)c2O)CCO1 ZINC000191149982 385287185 /nfs/dbraw/zinc/28/71/85/385287185.db2.gz IBOWYYVSZRDZFX-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CCC1([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000294895189 385300512 /nfs/dbraw/zinc/30/05/12/385300512.db2.gz WTHUHDVUOMASJG-UHFFFAOYSA-N 0 3 205.301 2.733 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1[O-] ZINC000155313036 385385654 /nfs/dbraw/zinc/38/56/54/385385654.db2.gz JTCYPLXLRKSVIZ-GXTWGEPZSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@H]([NH2+]CCCCCCO)c1ccccc1[O-] ZINC000179903343 385499946 /nfs/dbraw/zinc/49/99/46/385499946.db2.gz MRTWEUDVFFNZPC-LBPRGKRZSA-N 0 3 237.343 2.596 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000251287577 385619676 /nfs/dbraw/zinc/61/96/76/385619676.db2.gz RDOLLKRDDIYWOE-DRZSPHRISA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCSC2)c1 ZINC000230667560 385747241 /nfs/dbraw/zinc/74/72/41/385747241.db2.gz LWDPJFDHSFSAFC-QWRGUYRKSA-N 0 3 237.368 2.857 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCSC2)c1 ZINC000230667551 385748222 /nfs/dbraw/zinc/74/82/22/385748222.db2.gz LWDPJFDHSFSAFC-WDEREUQCSA-N 0 3 237.368 2.857 20 10 BFCDHN COC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000186153468 385749224 /nfs/dbraw/zinc/74/92/24/385749224.db2.gz MLTOBJXQLSVOIA-BXUZGUMPSA-N 0 3 249.354 2.776 20 10 BFCDHN COC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000186153454 385750309 /nfs/dbraw/zinc/75/03/09/385750309.db2.gz MLTOBJXQLSVOIA-FZMZJTMJSA-N 0 3 249.354 2.776 20 10 BFCDHN COC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000186153965 385750487 /nfs/dbraw/zinc/75/04/87/385750487.db2.gz QNXACFIYIGEHPC-RISCZKNCSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc(O)c(CN2CCC[C@@H]2CF)c1 ZINC000294102752 385806581 /nfs/dbraw/zinc/80/65/81/385806581.db2.gz SEDIEDUVCGXSCR-GFCCVEGCSA-N 0 3 223.291 2.635 20 10 BFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCO2)c([O-])c1 ZINC000284045967 385847356 /nfs/dbraw/zinc/84/73/56/385847356.db2.gz KBCCLFQDTGDSOQ-STQMWFEESA-N 0 3 249.354 2.839 20 10 BFCDHN CCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273391032 385995969 /nfs/dbraw/zinc/99/59/69/385995969.db2.gz KQEWVOYJQZACRQ-LBPRGKRZSA-N 0 3 237.343 2.696 20 10 BFCDHN Cn1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297731198 386276769 /nfs/dbraw/zinc/27/67/69/386276769.db2.gz NPBVEFRMYFPWQB-CYBMUJFWSA-N 0 3 242.322 2.508 20 10 BFCDHN CC[C@@H](C[NH2+]Cc1cc(C)c(C)cc1[O-])OC ZINC000289971978 386379994 /nfs/dbraw/zinc/37/99/94/386379994.db2.gz YXZXJZFGWSGTDX-ZDUSSCGKSA-N 0 3 237.343 2.524 20 10 BFCDHN CC[C@H](C[NH2+]Cc1cc(C)c(C)cc1[O-])OC ZINC000289971974 386380617 /nfs/dbraw/zinc/38/06/17/386380617.db2.gz YXZXJZFGWSGTDX-CYBMUJFWSA-N 0 3 237.343 2.524 20 10 BFCDHN CO[C@H](C)CC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000266216265 386414032 /nfs/dbraw/zinc/41/40/32/386414032.db2.gz PWAOAWRGIZUQQQ-GFCCVEGCSA-N 0 3 237.343 2.524 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1[O-] ZINC000248530144 386772546 /nfs/dbraw/zinc/77/25/46/386772546.db2.gz MDLNQWOAZZOHPM-COPLHBTASA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(C)cc1[O-] ZINC000280082724 386774445 /nfs/dbraw/zinc/77/44/45/386774445.db2.gz LUXJHDUPMATSEA-DGCLKSJQSA-N 0 3 237.343 2.776 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000246925073 387131854 /nfs/dbraw/zinc/13/18/54/387131854.db2.gz NCMICUXDAWCOCH-OUCADQQQSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000278343472 387553117 /nfs/dbraw/zinc/55/31/17/387553117.db2.gz AKIJOEQDJAAAEQ-FPMFFAJLSA-N 0 3 249.354 2.858 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1CC=CC1)CC2 ZINC000527952995 387783394 /nfs/dbraw/zinc/78/33/94/387783394.db2.gz VGKANUACRJKXHS-CYBMUJFWSA-N 0 3 229.323 2.935 20 10 BFCDHN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000527974145 387813114 /nfs/dbraw/zinc/81/31/14/387813114.db2.gz LLESEHROZVXBIN-HONMWMINSA-N 0 3 235.327 2.610 20 10 BFCDHN CCC1(C[NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000224899349 387939340 /nfs/dbraw/zinc/93/93/40/387939340.db2.gz YEFGEPLWXPWGJQ-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN CCN(CC[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000183482428 387940541 /nfs/dbraw/zinc/94/05/41/387940541.db2.gz CKKJTYCOHAMAPA-LBPRGKRZSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1[O-] ZINC000163973351 388117155 /nfs/dbraw/zinc/11/71/55/388117155.db2.gz CMHGRIPQVGLQHB-DCAQKATOSA-N 0 3 205.301 2.699 20 10 BFCDHN CSC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163981900 388119860 /nfs/dbraw/zinc/11/98/60/388119860.db2.gz MWRDGMBBLXJMQK-ZJUUUORDSA-N 0 3 225.357 2.794 20 10 BFCDHN CC(C)=CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000276576530 388349985 /nfs/dbraw/zinc/34/99/85/388349985.db2.gz ABZMSUOPIXVSDV-UHFFFAOYSA-N 0 3 249.310 2.567 20 10 BFCDHN CCC[C@H](C[NH2+]Cc1cccc(C)c1[O-])OC ZINC000293650132 388356298 /nfs/dbraw/zinc/35/62/98/388356298.db2.gz KLKQACHECKPAHQ-CYBMUJFWSA-N 0 3 237.343 2.605 20 10 BFCDHN COC[C@]1(C)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000294170988 388395329 /nfs/dbraw/zinc/39/53/29/388395329.db2.gz JFXAUBCGEJMCAU-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@]1(C)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000294170988 388395332 /nfs/dbraw/zinc/39/53/32/388395332.db2.gz JFXAUBCGEJMCAU-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN CC/C=C/C[NH2+]Cc1cc(F)ccc1[O-] ZINC000295076112 388408014 /nfs/dbraw/zinc/40/80/14/388408014.db2.gz RMQZLVFJOQRCCE-ONEGZZNKSA-N 0 3 209.264 2.587 20 10 BFCDHN C[C@@H](CC(C)(C)O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296367452 388423306 /nfs/dbraw/zinc/42/33/06/388423306.db2.gz JASLLTSUSXNEPN-JQWIXIFHSA-N 0 3 249.354 2.519 20 10 BFCDHN CCC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297546988 388430732 /nfs/dbraw/zinc/43/07/32/388430732.db2.gz FKTAJCQXHFJSII-DOMZBBRYSA-N 0 3 249.354 2.520 20 10 BFCDHN CCC1(C[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000272798964 389034844 /nfs/dbraw/zinc/03/48/44/389034844.db2.gz DARCXOAPBKUYHC-UHFFFAOYSA-N 0 3 249.354 2.689 20 10 BFCDHN CC[C@H]([NH2+]CCOC(C)C)c1ccccc1[O-] ZINC000164045125 397791187 /nfs/dbraw/zinc/79/11/87/397791187.db2.gz XSEQMAOYWIHCFS-ZDUSSCGKSA-N 0 3 237.343 2.858 20 10 BFCDHN CO[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])CC[C@@H]1C ZINC000188323900 397882102 /nfs/dbraw/zinc/88/21/02/397882102.db2.gz DEFMPNUKFRIZOB-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CC[C@@H]1C ZINC000188323900 397882104 /nfs/dbraw/zinc/88/21/04/397882104.db2.gz DEFMPNUKFRIZOB-SWLSCSKDSA-N 0 3 249.354 2.557 20 10 BFCDHN CC(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296196199 167015789 /nfs/dbraw/zinc/01/57/89/167015789.db2.gz YSWXWNSUAALZDL-NSHDSACASA-N 0 3 205.301 2.625 20 10 BFCDHN CC(C)OCCC[N@H+](C)Cc1ccccc1[O-] ZINC000119529567 167208983 /nfs/dbraw/zinc/20/89/83/167208983.db2.gz AANLGMPDGNJXRK-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN CC(C)OCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000119529567 167208986 /nfs/dbraw/zinc/20/89/86/167208986.db2.gz AANLGMPDGNJXRK-UHFFFAOYSA-N 0 3 237.343 2.639 20 10 BFCDHN C[C@@H]([NH2+]C1CC(C)C1)c1ccccc1[O-] ZINC000163992069 168148309 /nfs/dbraw/zinc/14/83/09/168148309.db2.gz XCXHAYXZYKJSFO-HSOILSAZSA-N 0 3 205.301 2.841 20 10 BFCDHN CCC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000290039871 168199368 /nfs/dbraw/zinc/19/93/68/168199368.db2.gz NZOJNOTZTMATPY-UHFFFAOYSA-N 0 3 235.327 2.583 20 10 BFCDHN CCC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000290039871 168199370 /nfs/dbraw/zinc/19/93/70/168199370.db2.gz NZOJNOTZTMATPY-UHFFFAOYSA-N 0 3 235.327 2.583 20 10 BFCDHN CCC(C)(C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020085495 168299082 /nfs/dbraw/zinc/29/90/82/168299082.db2.gz YJGKPVFCYVWDSU-UHFFFAOYSA-N 0 3 223.316 2.679 20 10 BFCDHN CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019436021 170153925 /nfs/dbraw/zinc/15/39/25/170153925.db2.gz XTCWDZATTRZSMS-NXEZZACHSA-N 0 3 205.301 2.858 20 10 BFCDHN CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000134910116 170158933 /nfs/dbraw/zinc/15/89/33/170158933.db2.gz KJJYBNWCPKHUDL-SNVBAGLBSA-N 0 3 219.328 2.942 20 10 BFCDHN CCOCCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000019963018 170382321 /nfs/dbraw/zinc/38/23/21/170382321.db2.gz NBGQGEPXEYUTQS-ZDUSSCGKSA-N 0 3 237.343 2.860 20 10 BFCDHN CCOCC[N@H+](CC)Cc1cccc(C)c1[O-] ZINC000124575101 170396104 /nfs/dbraw/zinc/39/61/04/170396104.db2.gz WEVVJZFMGAQWDY-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CCOCC[N@@H+](CC)Cc1cccc(C)c1[O-] ZINC000124575101 170396105 /nfs/dbraw/zinc/39/61/05/170396105.db2.gz WEVVJZFMGAQWDY-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000051992113 170914221 /nfs/dbraw/zinc/91/42/21/170914221.db2.gz WEJSQOCPSZFECS-IPYPFGDCSA-N 0 3 249.354 2.736 20 10 BFCDHN CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180266585 171010955 /nfs/dbraw/zinc/01/09/55/171010955.db2.gz CWOWAQJFXPCUCT-SNVBAGLBSA-N 0 3 223.291 2.763 20 10 BFCDHN CC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180266585 171010958 /nfs/dbraw/zinc/01/09/58/171010958.db2.gz CWOWAQJFXPCUCT-SNVBAGLBSA-N 0 3 223.291 2.763 20 10 BFCDHN CC[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000292797580 171024689 /nfs/dbraw/zinc/02/46/89/171024689.db2.gz NCEHBZAZTBICCY-GFCCVEGCSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000292797580 171024693 /nfs/dbraw/zinc/02/46/93/171024693.db2.gz NCEHBZAZTBICCY-GFCCVEGCSA-N 0 3 205.301 2.685 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])CCCO1 ZINC000281135189 171087636 /nfs/dbraw/zinc/08/76/36/171087636.db2.gz DHXGERNAOCLWQO-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CCCO1 ZINC000281135189 171087639 /nfs/dbraw/zinc/08/76/39/171087639.db2.gz DHXGERNAOCLWQO-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000120766813 171274859 /nfs/dbraw/zinc/27/48/59/171274859.db2.gz UMPQBWYVFGKBEK-NSHDSACASA-N 0 3 207.317 2.870 20 10 BFCDHN CC[C@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000120766813 171274860 /nfs/dbraw/zinc/27/48/60/171274860.db2.gz UMPQBWYVFGKBEK-NSHDSACASA-N 0 3 207.317 2.870 20 10 BFCDHN COCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000283866981 174250468 /nfs/dbraw/zinc/25/04/68/174250468.db2.gz BSFVOUPXQHHGIT-GFCCVEGCSA-N 0 3 237.343 2.696 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2CCCCCC2)c1 ZINC000131938705 175157055 /nfs/dbraw/zinc/15/70/55/175157055.db2.gz JLZIHJKHIZZXOK-UHFFFAOYSA-N 0 3 235.327 2.777 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000020131526 175157700 /nfs/dbraw/zinc/15/77/00/175157700.db2.gz NHSDDOGBJUWEEV-UHFFFAOYSA-N 0 3 247.338 2.679 20 10 BFCDHN COc1cccc(C[N@H+](C)C2CCCC2)c1[O-] ZINC000131525873 175253955 /nfs/dbraw/zinc/25/39/55/175253955.db2.gz QUDCICITKFXICB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1cccc(C[N@@H+](C)C2CCCC2)c1[O-] ZINC000131525873 175253956 /nfs/dbraw/zinc/25/39/56/175253956.db2.gz QUDCICITKFXICB-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN COc1cccc(C[N@H+](C)CCC2CC2)c1[O-] ZINC000092067178 175254662 /nfs/dbraw/zinc/25/46/62/175254662.db2.gz DOCMBLSTBHWORY-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc(C[N@@H+](C)CCC2CC2)c1[O-] ZINC000092067178 175254665 /nfs/dbraw/zinc/25/46/65/175254665.db2.gz DOCMBLSTBHWORY-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1cccc(CNCc2occc2C)c1O ZINC000289441840 175265604 /nfs/dbraw/zinc/26/56/04/175265604.db2.gz MBCIANGAZORIIC-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000131229760 175267170 /nfs/dbraw/zinc/26/71/70/175267170.db2.gz KENNYHDDEGDQKU-ZYHUDNBSSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC000529541052 324331499 /nfs/dbraw/zinc/33/14/99/324331499.db2.gz ZXPIDEDFQUDOLM-SECBINFHSA-N 0 3 241.281 2.916 20 10 BFCDHN CC1(C)SC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296619795 487809975 /nfs/dbraw/zinc/80/99/75/487809975.db2.gz ZBJINAGPKRWJPR-ZYHUDNBSSA-N 0 3 249.379 2.863 20 10 BFCDHN CC[C@H]([NH2+]CC1(N)CCCC1)c1ccccc1[O-] ZINC000854224824 588780677 /nfs/dbraw/zinc/78/06/77/588780677.db2.gz ZOIMKNFKCDCOAD-ZDUSSCGKSA-N 0 3 248.370 2.704 20 10 BFCDHN CCOc1ccc(C[NH2+]C2(C)CC=CC2)c([O-])c1 ZINC000848560913 582803751 /nfs/dbraw/zinc/80/37/51/582803751.db2.gz MXXSMFPIEVQDBD-UHFFFAOYSA-N 0 3 247.338 2.989 20 10 BFCDHN COC1([C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])CCC1 ZINC000840969252 583205342 /nfs/dbraw/zinc/20/53/42/583205342.db2.gz CVGAASRORQMPST-GFCCVEGCSA-N 0 3 249.354 2.748 20 10 BFCDHN CCC[C@@H](C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877555988 583329122 /nfs/dbraw/zinc/32/91/22/583329122.db2.gz IJEKIDAJQRBQOF-LBPRGKRZSA-N 0 3 237.343 2.605 20 10 BFCDHN CCC[C@H](C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877555987 583329658 /nfs/dbraw/zinc/32/96/58/583329658.db2.gz IJEKIDAJQRBQOF-GFCCVEGCSA-N 0 3 237.343 2.605 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C[C@H]2CC2(C)C)c1[O-] ZINC000894250565 583392124 /nfs/dbraw/zinc/39/21/24/583392124.db2.gz IDJVYVDHQHZDJD-GFCCVEGCSA-N 0 3 249.354 2.845 20 10 BFCDHN COc1cc(C)cc(C[NH2+]C[C@@H]2CC2(C)C)c1[O-] ZINC000894250566 583392184 /nfs/dbraw/zinc/39/21/84/583392184.db2.gz IDJVYVDHQHZDJD-LBPRGKRZSA-N 0 3 249.354 2.845 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CCCC2CC2)c1[O-] ZINC000894284555 583410278 /nfs/dbraw/zinc/41/02/78/583410278.db2.gz QTHSZODSABOXSF-UHFFFAOYSA-N 0 3 249.354 2.989 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000894862043 583534980 /nfs/dbraw/zinc/53/49/80/583534980.db2.gz SJKJLKCYNFNQQX-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000894862043 583534982 /nfs/dbraw/zinc/53/49/82/583534982.db2.gz SJKJLKCYNFNQQX-QWRGUYRKSA-N 0 3 205.301 2.541 20 10 BFCDHN CCC1([NH2+]Cc2cc(C)cc(OC)c2[O-])CC1 ZINC000894877654 583542169 /nfs/dbraw/zinc/54/21/69/583542169.db2.gz FVPNYWUDWSRRMS-UHFFFAOYSA-N 0 3 235.327 2.741 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000895312321 583647724 /nfs/dbraw/zinc/64/77/24/583647724.db2.gz MZXZLSARBNAXPC-IMRBUKKESA-N 0 3 247.338 2.597 20 10 BFCDHN COc1cc(C)cc(C[NH2+][C@]2(C)CC2(C)C)c1[O-] ZINC000895333869 583652827 /nfs/dbraw/zinc/65/28/27/583652827.db2.gz CGXMWXNKDJRHOO-OAHLLOKOSA-N 0 3 249.354 2.987 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@]2(C)CCCCO2)c([O-])c1 ZINC000896923011 583856525 /nfs/dbraw/zinc/85/65/25/583856525.db2.gz DXVYJMDWPNQPJJ-HNNXBMFYSA-N 0 3 249.354 2.749 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897952335 584063600 /nfs/dbraw/zinc/06/36/00/584063600.db2.gz GGIRIJPVEYXXLU-NQBHXWOUSA-N 0 3 247.338 2.679 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897954834 584064584 /nfs/dbraw/zinc/06/45/84/584064584.db2.gz LJKWFNCBYZUMHV-ZWKOPEQDSA-N 0 3 235.302 2.810 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1[O-] ZINC000897955340 584065115 /nfs/dbraw/zinc/06/51/15/584065115.db2.gz SLAYDKJVISNEQZ-MRVWCRGKSA-N 0 3 231.339 2.979 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000858585084 588969210 /nfs/dbraw/zinc/96/92/10/588969210.db2.gz ZVYPYIFCRJERER-AVGNSLFASA-N 0 3 249.354 2.837 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000858585085 588969322 /nfs/dbraw/zinc/96/93/22/588969322.db2.gz ZVYPYIFCRJERER-JHJVBQTASA-N 0 3 249.354 2.837 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c([O-])c1C ZINC000903396902 584757581 /nfs/dbraw/zinc/75/75/81/584757581.db2.gz URDDSJMCKZRYKL-JKOKRWQUSA-N 0 3 249.354 2.695 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC[C@H](O)C2CC2)c1 ZINC000903407301 584758702 /nfs/dbraw/zinc/75/87/02/584758702.db2.gz NOXYIVBXXDDQKA-FZMZJTMJSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000903407300 584758717 /nfs/dbraw/zinc/75/87/17/584758717.db2.gz NOXYIVBXXDDQKA-BXUZGUMPSA-N 0 3 249.354 2.512 20 10 BFCDHN CC(C)(C)C1C[NH+](Cc2ccccc2[O-])C1 ZINC000839144724 585092187 /nfs/dbraw/zinc/09/21/87/585092187.db2.gz JWXMZMBXKQXGSB-UHFFFAOYSA-N 0 3 219.328 2.870 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1[O-] ZINC000839147484 585092392 /nfs/dbraw/zinc/09/23/92/585092392.db2.gz KFYIXZKFYVNUSK-OKILXGFUSA-N 0 3 249.354 2.746 20 10 BFCDHN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000746755684 585172605 /nfs/dbraw/zinc/17/26/05/585172605.db2.gz RHPUTIZTJQGOHF-ZIAGYGMSSA-N 0 3 249.354 2.748 20 10 BFCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])c1ccncc1 ZINC000749298932 585200966 /nfs/dbraw/zinc/20/09/66/585200966.db2.gz ZAPMCRJDPITQGT-GFCCVEGCSA-N 0 3 242.322 2.681 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1 ZINC000756769931 585322820 /nfs/dbraw/zinc/32/28/20/585322820.db2.gz PXKYEAXVNGPHIU-WCQYABFASA-N 0 3 249.354 2.512 20 10 BFCDHN CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OC)cc1[O-] ZINC000809658723 585325000 /nfs/dbraw/zinc/32/50/00/585325000.db2.gz UWDWEGSMNBJYCC-MFKMUULPSA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000760713547 585396046 /nfs/dbraw/zinc/39/60/46/585396046.db2.gz PJJPRVREZYLHRR-UHFFFAOYSA-N 0 3 247.338 2.823 20 10 BFCDHN CCCC[N@H+](C)Cc1c([O-])cccc1OC ZINC000768143868 585533130 /nfs/dbraw/zinc/53/31/30/585533130.db2.gz ZZRRPIGZQNTSSI-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN CCCC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768143868 585533131 /nfs/dbraw/zinc/53/31/31/585533131.db2.gz ZZRRPIGZQNTSSI-UHFFFAOYSA-N 0 3 223.316 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)C(C)C ZINC000768270399 585534932 /nfs/dbraw/zinc/53/49/32/585534932.db2.gz ZQLVJKLOZQONFE-LLVKDONJSA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)C(C)C ZINC000768270399 585534933 /nfs/dbraw/zinc/53/49/33/585534933.db2.gz ZQLVJKLOZQONFE-LLVKDONJSA-N 0 3 237.343 2.877 20 10 BFCDHN COc1cc(C[N@H+](C)CC(C)C)c([O-])cc1C ZINC000768439832 585538559 /nfs/dbraw/zinc/53/85/59/585538559.db2.gz KZDDAHRBZFVCCL-UHFFFAOYSA-N 0 3 237.343 2.797 20 10 BFCDHN COc1cc(C[N@@H+](C)CC(C)C)c([O-])cc1C ZINC000768439832 585538560 /nfs/dbraw/zinc/53/85/60/585538560.db2.gz KZDDAHRBZFVCCL-UHFFFAOYSA-N 0 3 237.343 2.797 20 10 BFCDHN COc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c([O-])cc1C ZINC000768465759 585539003 /nfs/dbraw/zinc/53/90/03/585539003.db2.gz KQUHCVXAKBDWFD-VXGBXAGGSA-N 0 3 249.354 2.797 20 10 BFCDHN COc1cc(C[N@@H+]2CCC(C)(C)C2)c([O-])cc1C ZINC000768465297 585539094 /nfs/dbraw/zinc/53/90/94/585539094.db2.gz FVNSFTKFVVCOCW-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN COc1cc(C[N@H+]2CCC(C)(C)C2)c([O-])cc1C ZINC000768465297 585539095 /nfs/dbraw/zinc/53/90/95/585539095.db2.gz FVNSFTKFVVCOCW-UHFFFAOYSA-N 0 3 249.354 2.941 20 10 BFCDHN CC[C@@H](C)C[N@H+](C)Cc1c([O-])cccc1OC ZINC000768766279 585542588 /nfs/dbraw/zinc/54/25/88/585542588.db2.gz IORCGCWTMGCZJN-LLVKDONJSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@@H](C)C[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768766279 585542589 /nfs/dbraw/zinc/54/25/89/585542589.db2.gz IORCGCWTMGCZJN-LLVKDONJSA-N 0 3 237.343 2.879 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC000769102578 585549074 /nfs/dbraw/zinc/54/90/74/585549074.db2.gz OLZQYEWXZDUZLW-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)C2)c([O-])c1 ZINC000769102578 585549075 /nfs/dbraw/zinc/54/90/75/585549075.db2.gz OLZQYEWXZDUZLW-LLVKDONJSA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C)c([O-])c1 ZINC000769388568 585555451 /nfs/dbraw/zinc/55/54/51/585555451.db2.gz CEHXQVLKJBZFNI-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C)c([O-])c1 ZINC000769388568 585555452 /nfs/dbraw/zinc/55/54/52/585555452.db2.gz CEHXQVLKJBZFNI-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000769448458 585556757 /nfs/dbraw/zinc/55/67/57/585556757.db2.gz RKXWUMRLTNIIFT-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000769448458 585556758 /nfs/dbraw/zinc/55/67/58/585556758.db2.gz RKXWUMRLTNIIFT-TXEJJXNPSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000769450138 585557094 /nfs/dbraw/zinc/55/70/94/585557094.db2.gz AOOGEBISIBNTBE-NWDGAFQWSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000769450138 585557095 /nfs/dbraw/zinc/55/70/95/585557095.db2.gz AOOGEBISIBNTBE-NWDGAFQWSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000769471488 585557945 /nfs/dbraw/zinc/55/79/45/585557945.db2.gz UMEHNHNGVYVIRA-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000769471488 585557946 /nfs/dbraw/zinc/55/79/46/585557946.db2.gz UMEHNHNGVYVIRA-WDEREUQCSA-N 0 3 235.327 2.631 20 10 BFCDHN Cc1ccc(O)c(CN(C)Cc2ccc[nH]2)c1 ZINC000769544104 585559217 /nfs/dbraw/zinc/55/92/17/585559217.db2.gz UHSJBWQPSWFHPG-UHFFFAOYSA-N 0 3 230.311 2.661 20 10 BFCDHN CCOc1ccc(C[NH+]2CCCCC2)c([O-])c1 ZINC000770395810 585573622 /nfs/dbraw/zinc/57/36/22/585573622.db2.gz VHFXMBNKGMTDAK-UHFFFAOYSA-N 0 3 235.327 2.777 20 10 BFCDHN CC(C)[C@H]1CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779044613 585744769 /nfs/dbraw/zinc/74/47/69/585744769.db2.gz ALTRTBFKFRMMSQ-GFCCVEGCSA-N 0 3 223.291 2.762 20 10 BFCDHN CC(C)[C@H]1CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779044613 585744770 /nfs/dbraw/zinc/74/47/70/585744770.db2.gz ALTRTBFKFRMMSQ-GFCCVEGCSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@H]1CCN(Cc2ccccc2O)C[C@@H]1F ZINC000779151395 585745776 /nfs/dbraw/zinc/74/57/76/585745776.db2.gz XWUCXSREUQUIIS-JQWIXIFHSA-N 0 3 223.291 2.572 20 10 BFCDHN C[C@H]1CCN(Cc2ccccc2O)C[C@H]1F ZINC000779151394 585745982 /nfs/dbraw/zinc/74/59/82/585745982.db2.gz XWUCXSREUQUIIS-CMPLNLGQSA-N 0 3 223.291 2.572 20 10 BFCDHN CC[C@]1([NH2+]Cc2cc(C)c(C)cc2[O-])CCOC1 ZINC000791003777 585971824 /nfs/dbraw/zinc/97/18/24/585971824.db2.gz HTXJEQFGPNWPQM-HNNXBMFYSA-N 0 3 249.354 2.668 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793220055 586014432 /nfs/dbraw/zinc/01/44/32/586014432.db2.gz JMGPVUDSTDRPAP-PHIMTYICSA-N 0 3 235.327 2.774 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793220055 586014433 /nfs/dbraw/zinc/01/44/33/586014433.db2.gz JMGPVUDSTDRPAP-PHIMTYICSA-N 0 3 235.327 2.774 20 10 BFCDHN CCOc1cccc(C[N@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000793219789 586014527 /nfs/dbraw/zinc/01/45/27/586014527.db2.gz DISQECZJMDXXIP-PHIMTYICSA-N 0 3 235.327 2.774 20 10 BFCDHN CCOc1cccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000793219789 586014528 /nfs/dbraw/zinc/01/45/28/586014528.db2.gz DISQECZJMDXXIP-PHIMTYICSA-N 0 3 235.327 2.774 20 10 BFCDHN Cc1cc([O-])c(C[NH+]2[C@@H](C)C[C@@H]2C)cc1C ZINC000793229299 586014622 /nfs/dbraw/zinc/01/46/22/586014622.db2.gz VVYBQUCRXKRXCF-RYUDHWBXSA-N 0 3 219.328 2.992 20 10 BFCDHN C[C@@H]1C[C@H](C)N1Cc1ccc(N(C)C)c(F)c1 ZINC000793228862 586014897 /nfs/dbraw/zinc/01/48/97/586014897.db2.gz SZLSQYHHJZILIG-PHIMTYICSA-N 0 3 236.334 2.874 20 10 BFCDHN CC[C@H]([NH2+]C1(COC)CC1)c1ccc(C)cc1[O-] ZINC000794811548 586049439 /nfs/dbraw/zinc/04/94/39/586049439.db2.gz FWPBFJJZWDMTGT-ZDUSSCGKSA-N 0 3 249.354 2.920 20 10 BFCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)c([O-])c1 ZINC000796525234 586105936 /nfs/dbraw/zinc/10/59/36/586105936.db2.gz CJWLLDZXSHDSSG-GXFFZTMASA-N 0 3 235.327 2.679 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000796526619 586106160 /nfs/dbraw/zinc/10/61/60/586106160.db2.gz ORSGJORHUIZWTP-GXFFZTMASA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000796815183 586113319 /nfs/dbraw/zinc/11/33/19/586113319.db2.gz CCKKWKFLWNARLM-KGLIPLIRSA-N 0 3 249.354 2.925 20 10 BFCDHN CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(OC)cc1[O-] ZINC000809658722 586511253 /nfs/dbraw/zinc/51/12/53/586511253.db2.gz UWDWEGSMNBJYCC-GXFFZTMASA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)c1[O-] ZINC000809739907 586515777 /nfs/dbraw/zinc/51/57/77/586515777.db2.gz GJEOCECQDATKNT-OLZOCXBDSA-N 0 3 249.354 2.925 20 10 BFCDHN COc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c1[O-] ZINC000809739905 586515959 /nfs/dbraw/zinc/51/59/59/586515959.db2.gz GJEOCECQDATKNT-CHWSQXEVSA-N 0 3 249.354 2.925 20 10 BFCDHN CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000809740162 586516180 /nfs/dbraw/zinc/51/61/80/586516180.db2.gz NHUORWMFACMQDJ-JQWIXIFHSA-N 0 3 235.327 2.679 20 10 BFCDHN Cc1cc([O-])c(C[NH+]2CC(C3CC3)C2)cc1C ZINC000812776825 586584013 /nfs/dbraw/zinc/58/40/13/586584013.db2.gz ZZYLMJXSIRMUQT-UHFFFAOYSA-N 0 3 231.339 2.851 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CCCCF)c1 ZINC000812773374 586584201 /nfs/dbraw/zinc/58/42/01/586584201.db2.gz DMJBYDBWXAPMII-UHFFFAOYSA-N 0 3 241.306 2.630 20 10 BFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]2CC)c([O-])c1 ZINC000814179069 586615752 /nfs/dbraw/zinc/61/57/52/586615752.db2.gz OVSPHPMGCXRPIU-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc(C[N@H+]2CC[C@@H]2CC)c([O-])c1 ZINC000814179069 586615753 /nfs/dbraw/zinc/61/57/53/586615753.db2.gz OVSPHPMGCXRPIU-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN C[C@H](NCCc1ccc(N)cc1)c1cncs1 ZINC000817955937 586849953 /nfs/dbraw/zinc/84/99/53/586849953.db2.gz LTLUJWYWWBVTAZ-JTQLQIEISA-N 0 3 247.367 2.619 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccccc1[O-] ZINC000818615945 586907274 /nfs/dbraw/zinc/90/72/74/586907274.db2.gz RULNHDIUKCSCPN-HZSPNIEDSA-N 0 3 248.370 2.703 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCC(C)(F)F ZINC000824483357 587271577 /nfs/dbraw/zinc/27/15/77/587271577.db2.gz LUCXZXDYZDFRFT-UHFFFAOYSA-N 0 3 245.269 2.536 20 10 BFCDHN CC/C=C\C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000824702594 587283634 /nfs/dbraw/zinc/28/36/34/587283634.db2.gz OLNKJBJPSVQKJF-WAYWQWQTSA-N 0 3 235.327 2.847 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C[C@@H]1C ZINC000824814431 587288530 /nfs/dbraw/zinc/28/85/30/587288530.db2.gz ABJVBDOPMLMWCB-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C[C@@H]1C ZINC000824814431 587288531 /nfs/dbraw/zinc/28/85/31/587288531.db2.gz ABJVBDOPMLMWCB-WFASDCNBSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000834904981 587770405 /nfs/dbraw/zinc/77/04/05/587770405.db2.gz DETHGFIIEVRDCQ-MBNYWOFBSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1C ZINC000835088304 587781814 /nfs/dbraw/zinc/78/18/14/587781814.db2.gz RHLHQTYJLMRECL-OCCSQVGLSA-N 0 3 249.354 2.666 20 10 BFCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)CF ZINC000840950932 587931651 /nfs/dbraw/zinc/93/16/51/587931651.db2.gz UCQRWVZBBKNQKW-NSHDSACASA-N 0 3 224.323 2.509 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@H](C)C2CC2)c1[O-] ZINC000846136214 588258444 /nfs/dbraw/zinc/25/84/44/588258444.db2.gz HIABURXZZLOPRP-ZJUUUORDSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]C2CC(C)C2)c1[O-] ZINC000846152449 588258710 /nfs/dbraw/zinc/25/87/10/588258710.db2.gz BLSRCVHIJWFYFB-HSOILSAZSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000846174870 588259218 /nfs/dbraw/zinc/25/92/18/588259218.db2.gz VMJDXYRAIQLLBY-WISYIIOYSA-N 0 3 247.338 2.850 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1[O-] ZINC000846174790 588259321 /nfs/dbraw/zinc/25/93/21/588259321.db2.gz YYVRFJRCDQMDSO-JBLDHEPKSA-N 0 3 235.327 2.850 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]C2(C)CC=CC2)c1 ZINC000848560876 588397670 /nfs/dbraw/zinc/39/76/70/588397670.db2.gz MNCDYQQESCGZLU-UHFFFAOYSA-N 0 3 247.338 2.989 20 10 BFCDHN CCc1cccc(C[N@H+]2CC[C@H]2CC)c1[O-] ZINC000848914084 588420387 /nfs/dbraw/zinc/42/03/87/588420387.db2.gz IFENORKLDDRHRX-CYBMUJFWSA-N 0 3 219.328 2.939 20 10 BFCDHN CCc1cccc(C[N@@H+]2CC[C@H]2CC)c1[O-] ZINC000848914084 588420388 /nfs/dbraw/zinc/42/03/88/588420388.db2.gz IFENORKLDDRHRX-CYBMUJFWSA-N 0 3 219.328 2.939 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2COC(C)(C)C2)cc1C ZINC000850341239 588537277 /nfs/dbraw/zinc/53/72/77/588537277.db2.gz DASWTPFMUNSNQW-ZDUSSCGKSA-N 0 3 249.354 2.666 20 10 BFCDHN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000850571365 588561085 /nfs/dbraw/zinc/56/10/85/588561085.db2.gz PWHNEQRCGQIPGN-LNSITVRQSA-N 0 3 249.354 2.837 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)c1ccc(C)cc1[O-] ZINC000850569902 588561121 /nfs/dbraw/zinc/56/11/21/588561121.db2.gz CUKPNUGYQZRPFM-CFVMTHIKSA-N 0 3 249.354 2.919 20 10 BFCDHN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000850571135 588561209 /nfs/dbraw/zinc/56/12/09/588561209.db2.gz NBWDDQRJXNITPH-KYOSRNDESA-N 0 3 249.354 2.837 20 10 BFCDHN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000862478669 589216444 /nfs/dbraw/zinc/21/64/44/589216444.db2.gz LVBRFPXERZAUNW-YPMHNXCESA-N 0 3 219.328 2.979 20 10 BFCDHN CC[C@@H](CCO)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000119239216 589252538 /nfs/dbraw/zinc/25/25/38/589252538.db2.gz SOKLAHXIMFHVMT-AAEUAGOBSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@H](CCO)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000119239325 589252550 /nfs/dbraw/zinc/25/25/50/589252550.db2.gz SOKLAHXIMFHVMT-YPMHNXCESA-N 0 3 237.343 2.594 20 10 BFCDHN CN(C)c1ccc(CNCC(C)(C)F)cc1F ZINC000865654006 589454514 /nfs/dbraw/zinc/45/45/14/589454514.db2.gz KDZLDGNYPUOXBA-UHFFFAOYSA-N 0 3 242.313 2.729 20 10 BFCDHN C[C@H]([NH2+]CC(C)(C)F)c1cc(F)ccc1[O-] ZINC000866408644 589491220 /nfs/dbraw/zinc/49/12/20/589491220.db2.gz MRIIHEXYAQDGHO-QMMMGPOBSA-N 0 3 229.270 2.930 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c([O-])c1C ZINC000866489156 589496791 /nfs/dbraw/zinc/49/67/91/589496791.db2.gz FHQGKUNYQPJVEY-XBFCOCLRSA-N 0 3 249.354 2.573 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)C2CC2)c1 ZINC000123537824 589747744 /nfs/dbraw/zinc/74/77/44/589747744.db2.gz ARZJSEAQQHJAFC-LLVKDONJSA-N 0 3 219.328 2.836 20 10 BFCDHN CCCOc1ccc(CNCCOC)cc1C ZINC000873007090 589979042 /nfs/dbraw/zinc/97/90/42/589979042.db2.gz FUKQOULVXNNILK-UHFFFAOYSA-N 0 3 237.343 2.520 20 10 BFCDHN CCCOc1ccc(CN[C@@H]2CCOC2)cc1C ZINC000873095038 589984360 /nfs/dbraw/zinc/98/43/60/589984360.db2.gz QKFVABCPCMWZRG-CQSZACIVSA-N 0 3 249.354 2.662 20 10 BFCDHN CSCCCC[NH2+]Cc1ccccc1[O-] ZINC000124939358 590103271 /nfs/dbraw/zinc/10/32/71/590103271.db2.gz NTKZYSCOYOEECL-UHFFFAOYSA-N 0 3 225.357 2.625 20 10 BFCDHN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000125093858 590120235 /nfs/dbraw/zinc/12/02/35/590120235.db2.gz ZUMIQWLWINMRLL-BETUJISGSA-N 0 3 249.354 2.618 20 10 BFCDHN CCOc1cccc(C[NH2+]C2CC=CC2)c1[O-] ZINC000125261827 590159756 /nfs/dbraw/zinc/15/97/56/590159756.db2.gz CZPDEOKUZLUXGJ-UHFFFAOYSA-N 0 3 233.311 2.599 20 10 BFCDHN CCO[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512820 590206134 /nfs/dbraw/zinc/20/61/34/590206134.db2.gz ZAWXKMAVNCDLKI-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN CCO[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512820 590206135 /nfs/dbraw/zinc/20/61/35/590206135.db2.gz ZAWXKMAVNCDLKI-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1c(C)cccc1[O-] ZINC000876536153 590211021 /nfs/dbraw/zinc/21/10/21/590211021.db2.gz NYZMUJHJZHEBTK-STQMWFEESA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1c(C)cccc1[O-] ZINC000876536153 590211022 /nfs/dbraw/zinc/21/10/22/590211022.db2.gz NYZMUJHJZHEBTK-STQMWFEESA-N 0 3 249.354 2.700 20 10 BFCDHN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C)cc1O ZINC000876535823 590211031 /nfs/dbraw/zinc/21/10/31/590211031.db2.gz QPRWKGNVHLDAHT-JSGCOSHPSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C(C)C ZINC000876562108 590216026 /nfs/dbraw/zinc/21/60/26/590216026.db2.gz UUNPXPPEVYLYJN-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C(C)C ZINC000876562108 590216028 /nfs/dbraw/zinc/21/60/28/590216028.db2.gz UUNPXPPEVYLYJN-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1C2CCC1CC2 ZINC000876561958 590216385 /nfs/dbraw/zinc/21/63/85/590216385.db2.gz MCVNPORWRJUMLI-UHFFFAOYSA-N 0 3 217.312 2.827 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000876590428 590219319 /nfs/dbraw/zinc/21/93/19/590219319.db2.gz WRPIXGCGPWJLLO-NSHDSACASA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H](C)C1CC1 ZINC000876590428 590219321 /nfs/dbraw/zinc/21/93/21/590219321.db2.gz WRPIXGCGPWJLLO-NSHDSACASA-N 0 3 219.328 2.931 20 10 BFCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])C[C@H]1CCOC1 ZINC000876596456 590219682 /nfs/dbraw/zinc/21/96/82/590219682.db2.gz QDDPVCSNTXFRJQ-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1ccc(C)cc1[O-])C[C@H]1CCOC1 ZINC000876596456 590219684 /nfs/dbraw/zinc/21/96/84/590219684.db2.gz QDDPVCSNTXFRJQ-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C[C@H]1CCOC1 ZINC000876597413 590220227 /nfs/dbraw/zinc/22/02/27/590220227.db2.gz YMEAWOFNYRDFGS-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C[C@H]1CCOC1 ZINC000876597413 590220228 /nfs/dbraw/zinc/22/02/28/590220228.db2.gz YMEAWOFNYRDFGS-CYBMUJFWSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000876747829 590236828 /nfs/dbraw/zinc/23/68/28/590236828.db2.gz NRFKWGTWLZAVSJ-VXGBXAGGSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000876747727 590237297 /nfs/dbraw/zinc/23/72/97/590237297.db2.gz KZEIFEDBFCSBJR-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000876747727 590237298 /nfs/dbraw/zinc/23/72/98/590237298.db2.gz KZEIFEDBFCSBJR-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000876747726 590237392 /nfs/dbraw/zinc/23/73/92/590237392.db2.gz KZEIFEDBFCSBJR-RYUDHWBXSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc(CN(C)Cc2ccc[nH]2)c(O)c1 ZINC000876790406 590241654 /nfs/dbraw/zinc/24/16/54/590241654.db2.gz GPNLRBJUKCCFSY-UHFFFAOYSA-N 0 3 230.311 2.661 20 10 BFCDHN Cc1ccc(C[NH2+]CC2CCCC2)c([O-])c1 ZINC000876916486 590256921 /nfs/dbraw/zinc/25/69/21/590256921.db2.gz SYRYUVNMDZXENE-UHFFFAOYSA-N 0 3 219.328 2.980 20 10 BFCDHN CCOCCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876946746 590259836 /nfs/dbraw/zinc/25/98/36/590259836.db2.gz QFVBFQVSGNCNBI-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN CCCCOCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876986708 590265368 /nfs/dbraw/zinc/26/53/68/590265368.db2.gz KFKRTUJNXZDPEK-UHFFFAOYSA-N 0 3 237.343 2.607 20 10 BFCDHN Cc1ccc(C[NH2+]CC2(C)CC2)c([O-])c1 ZINC000877074822 590278388 /nfs/dbraw/zinc/27/83/88/590278388.db2.gz SMYLSRJMOLHLCJ-UHFFFAOYSA-N 0 3 205.301 2.590 20 10 BFCDHN CO[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877075660 590278698 /nfs/dbraw/zinc/27/86/98/590278698.db2.gz DRIVYWDAXOUTJJ-KBPBESRZSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCCSC2)c([O-])c1 ZINC000877086267 590280313 /nfs/dbraw/zinc/28/03/13/590280313.db2.gz ZXUWRKCJJGPJFO-GFCCVEGCSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc(C[NH2+]C2(C3CC3)CC2)c([O-])c1 ZINC000877083982 590280475 /nfs/dbraw/zinc/28/04/75/590280475.db2.gz CTYJRNYAWBIMPZ-UHFFFAOYSA-N 0 3 217.312 2.733 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)c([O-])c1 ZINC000877094802 590282219 /nfs/dbraw/zinc/28/22/19/590282219.db2.gz TVUPRTNTWSYSDU-QWHCGFSZSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000877135139 590290879 /nfs/dbraw/zinc/29/08/79/590290879.db2.gz QROPEEMCQRMUFG-CHWSQXEVSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(CN2CC[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC000877164661 590295117 /nfs/dbraw/zinc/29/51/17/590295117.db2.gz BZRHPDGVEDHARR-YPMHNXCESA-N 0 3 237.318 2.881 20 10 BFCDHN Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000877182811 590297953 /nfs/dbraw/zinc/29/79/53/590297953.db2.gz SKOVVJXWUBNNLE-OCCSQVGLSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c(O)c1 ZINC000877462188 590332357 /nfs/dbraw/zinc/33/23/57/590332357.db2.gz LSXDDGWYKNXQPJ-RWMBFGLXSA-N 0 3 249.354 2.698 20 10 BFCDHN CO[C@H]1C[N@H+](Cc2c(C)cccc2[O-])CC[C@H]1C ZINC000877463150 590332773 /nfs/dbraw/zinc/33/27/73/590332773.db2.gz BZOLXPPOYNBVCG-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN CO[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC[C@H]1C ZINC000877463150 590332775 /nfs/dbraw/zinc/33/27/75/590332775.db2.gz BZOLXPPOYNBVCG-DOMZBBRYSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c(O)c1 ZINC000877462187 590332783 /nfs/dbraw/zinc/33/27/83/590332783.db2.gz LSXDDGWYKNXQPJ-AVGNSLFASA-N 0 3 249.354 2.698 20 10 BFCDHN CC(C)=CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877472260 590334886 /nfs/dbraw/zinc/33/48/86/590334886.db2.gz NVJCKARTBLNNQQ-UHFFFAOYSA-N 0 3 205.301 2.756 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1[C@H](C)C[C@H]1C ZINC000877486371 590339408 /nfs/dbraw/zinc/33/94/08/590339408.db2.gz INCWXXIDERRQDB-GHMZBOCLSA-N 0 3 205.301 2.683 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])CCCO1 ZINC000877501523 590341060 /nfs/dbraw/zinc/34/10/60/590341060.db2.gz PWJHNNRAVXFLQX-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CCCO1 ZINC000877501523 590341063 /nfs/dbraw/zinc/34/10/63/590341063.db2.gz PWJHNNRAVXFLQX-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@@H](C)C1 ZINC000877498349 590341407 /nfs/dbraw/zinc/34/14/07/590341407.db2.gz BVNKNQNRSBPPQL-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H](C)C1 ZINC000877498349 590341410 /nfs/dbraw/zinc/34/14/10/590341410.db2.gz BVNKNQNRSBPPQL-GXTWGEPZSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H](C)C1 ZINC000877498352 590341437 /nfs/dbraw/zinc/34/14/37/590341437.db2.gz BVNKNQNRSBPPQL-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H](C)C1 ZINC000877498352 590341439 /nfs/dbraw/zinc/34/14/39/590341439.db2.gz BVNKNQNRSBPPQL-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CSC[C@H]2C)c([O-])c1 ZINC000877519379 590345391 /nfs/dbraw/zinc/34/53/91/590345391.db2.gz YBAWTWAAQWUSIE-ZYHUDNBSSA-N 0 3 237.368 2.542 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCC2(C)C)c([O-])c1 ZINC000877522102 590345571 /nfs/dbraw/zinc/34/55/71/590345571.db2.gz MPCYFHSIQGWEAU-ZDUSSCGKSA-N 0 3 219.328 2.979 20 10 BFCDHN CCC[C@]1([NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877517075 590345847 /nfs/dbraw/zinc/34/58/47/590345847.db2.gz IOHSGOPHIFWNQX-HNNXBMFYSA-N 0 3 249.354 2.749 20 10 BFCDHN CO[C@@](C)(C[NH2+]Cc1c(C)cccc1[O-])C1CC1 ZINC000877542719 590351390 /nfs/dbraw/zinc/35/13/90/590351390.db2.gz VZFHZIZVJYRKPU-HNNXBMFYSA-N 0 3 249.354 2.605 20 10 BFCDHN CO[C@](C)(C[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877541972 590351973 /nfs/dbraw/zinc/35/19/73/590351973.db2.gz NIABIWGZQHBFKN-OAHLLOKOSA-N 0 3 249.354 2.605 20 10 BFCDHN CC[N@@H+](Cc1c(C)cccc1[O-])C[C@@H](C)OC ZINC000877543778 590352039 /nfs/dbraw/zinc/35/20/39/590352039.db2.gz LUOWVMKTXLRQTN-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[N@H+](Cc1c(C)cccc1[O-])C[C@@H](C)OC ZINC000877543778 590352042 /nfs/dbraw/zinc/35/20/42/590352042.db2.gz LUOWVMKTXLRQTN-GFCCVEGCSA-N 0 3 237.343 2.557 20 10 BFCDHN CC[C@@](C)(C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877564652 590361185 /nfs/dbraw/zinc/36/11/85/590361185.db2.gz IAIRWOSBSTVGEK-AWEZNQCLSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000877589516 590369411 /nfs/dbraw/zinc/36/94/11/590369411.db2.gz PNJSUSLPYZIEAQ-UPJWGTAASA-N 0 3 249.354 2.604 20 10 BFCDHN COC1([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877590959 590369493 /nfs/dbraw/zinc/36/94/93/590369493.db2.gz MEXVMLHZMBJNMY-LBPRGKRZSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877596773 590369564 /nfs/dbraw/zinc/36/95/64/590369564.db2.gz XSCCZFQWQYZXAT-KGLIPLIRSA-N 0 3 249.354 2.748 20 10 BFCDHN COCCCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877594018 590370660 /nfs/dbraw/zinc/37/06/60/590370660.db2.gz MNJCYTRMOPGCKE-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN COCCCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877594018 590370663 /nfs/dbraw/zinc/37/06/63/590370663.db2.gz MNJCYTRMOPGCKE-UHFFFAOYSA-N 0 3 237.343 2.559 20 10 BFCDHN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877612129 590372359 /nfs/dbraw/zinc/37/23/59/590372359.db2.gz CYUJKWZGLYCRCN-UKRRQHHQSA-N 0 3 249.354 2.748 20 10 BFCDHN Cc1ccc(CN2CC3(CC3(F)F)C2)c(O)c1 ZINC000877617700 590376039 /nfs/dbraw/zinc/37/60/39/590376039.db2.gz SGRBNWFCLUINJC-UHFFFAOYSA-N 0 3 239.265 2.542 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877631023 590378291 /nfs/dbraw/zinc/37/82/91/590378291.db2.gz NCLLKPUATVHDSM-CYBMUJFWSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000877632363 590378620 /nfs/dbraw/zinc/37/86/20/590378620.db2.gz WXTPDHICZREAEQ-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000877632363 590378623 /nfs/dbraw/zinc/37/86/23/590378623.db2.gz WXTPDHICZREAEQ-OLZOCXBDSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000877634806 590380278 /nfs/dbraw/zinc/38/02/78/590380278.db2.gz WLAOIZRBZVHUNZ-DABQJJPHSA-N 0 3 217.312 2.589 20 10 BFCDHN Cc1ccc(C[N@H+](C)CC2=CCSC2)c([O-])c1 ZINC000877640981 590383129 /nfs/dbraw/zinc/38/31/29/590383129.db2.gz LAPFXRVNYIFSJB-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN Cc1ccc(C[N@@H+](C)CC2=CCSC2)c([O-])c1 ZINC000877640981 590383131 /nfs/dbraw/zinc/38/31/31/590383131.db2.gz LAPFXRVNYIFSJB-UHFFFAOYSA-N 0 3 249.379 2.806 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000877682596 590391278 /nfs/dbraw/zinc/39/12/78/590391278.db2.gz QPVBEZLBPSZHSU-NWDGAFQWSA-N 0 3 241.281 2.902 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2CC(C)(C)C2)c1 ZINC000877717285 590399046 /nfs/dbraw/zinc/39/90/46/590399046.db2.gz GGZYTISZOAAIIN-UHFFFAOYSA-N 0 3 205.301 2.542 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1[O-] ZINC000877755487 590416875 /nfs/dbraw/zinc/41/68/75/590416875.db2.gz CMHGRIPQVGLQHB-MXWKQRLJSA-N 0 3 205.301 2.699 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1[O-] ZINC000877755740 590418046 /nfs/dbraw/zinc/41/80/46/590418046.db2.gz LRWKRPJDOHIFBZ-YNEHKIRRSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1[O-] ZINC000877755874 590418231 /nfs/dbraw/zinc/41/82/31/590418231.db2.gz PVXXIYGJWZOBRI-CKYFFXLPSA-N 0 3 237.368 2.794 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000877805063 590426010 /nfs/dbraw/zinc/42/60/10/590426010.db2.gz HNMVPQLXQAINIB-GFCCVEGCSA-N 0 3 249.354 2.605 20 10 BFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC(C)(C)CO1 ZINC000878241069 590527929 /nfs/dbraw/zinc/52/79/29/590527929.db2.gz ALEOFFMZXPBWHB-CYBMUJFWSA-N 0 3 249.354 2.639 20 10 BFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC(C)(C)CO1 ZINC000878241069 590527930 /nfs/dbraw/zinc/52/79/30/590527930.db2.gz ALEOFFMZXPBWHB-CYBMUJFWSA-N 0 3 249.354 2.639 20 10 BFCDHN CCO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000879650111 590841644 /nfs/dbraw/zinc/84/16/44/590841644.db2.gz JEENJCDPBMKXCA-ABAIWWIYSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccccc1[O-] ZINC000879650455 590843897 /nfs/dbraw/zinc/84/38/97/590843897.db2.gz ARPGIPQBGGCPJO-SDDRHHMPSA-N 0 3 235.327 2.610 20 10 BFCDHN CN(C)c1ccc(CN2CCC(F)CC2)cc1 ZINC000880239597 590973264 /nfs/dbraw/zinc/97/32/64/590973264.db2.gz NEHIZSDZQQEZHI-UHFFFAOYSA-N 0 3 236.334 2.687 20 10 BFCDHN Cc1ccncc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000128483821 591090221 /nfs/dbraw/zinc/09/02/21/591090221.db2.gz PESATLUNCFOXEM-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000131148127 591559769 /nfs/dbraw/zinc/55/97/69/591559769.db2.gz ARBFLMKKEGKVHX-ZYHUDNBSSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000135186031 591994271 /nfs/dbraw/zinc/99/42/71/591994271.db2.gz OWMNCZZKMLECQD-PWSUYJOCSA-N 0 3 235.327 2.679 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000135649133 592030108 /nfs/dbraw/zinc/03/01/08/592030108.db2.gz YLRCKQYFDMOZPK-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000135649133 592030110 /nfs/dbraw/zinc/03/01/10/592030110.db2.gz YLRCKQYFDMOZPK-GFCCVEGCSA-N 0 3 249.354 2.879 20 10 BFCDHN Cc1coc(CNCc2cc(C)ccc2O)c1 ZINC000886169699 592168824 /nfs/dbraw/zinc/16/88/24/592168824.db2.gz GGOPFZCYWZQRAQ-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCCO2)cc1C ZINC000886314203 592206641 /nfs/dbraw/zinc/20/66/41/592206641.db2.gz PJPMXKZPDDUJFN-CQSZACIVSA-N 0 3 249.354 2.668 20 10 BFCDHN C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000220928322 592378506 /nfs/dbraw/zinc/37/85/06/592378506.db2.gz YFUPFAIZUVKRBF-SKDRFNHKSA-N 0 3 223.291 2.810 20 10 BFCDHN CC[C@H]([NH2+]CCC(C)(C)O)c1ccccc1[O-] ZINC000310384318 632733844 /nfs/dbraw/zinc/73/38/44/632733844.db2.gz CAZOQWFCKFMVHW-LBPRGKRZSA-N 0 3 237.343 2.594 20 10 BFCDHN CSC[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179581858 632746468 /nfs/dbraw/zinc/74/64/68/632746468.db2.gz WTQMHGCANWTQKQ-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN CSC[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179581858 632746474 /nfs/dbraw/zinc/74/64/74/632746474.db2.gz WTQMHGCANWTQKQ-LBPRGKRZSA-N 0 3 237.368 2.720 20 10 BFCDHN CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168795248 633149053 /nfs/dbraw/zinc/14/90/53/633149053.db2.gz WHGJFPDGIKGIQU-RYUDHWBXSA-N 0 3 237.343 2.512 20 10 BFCDHN CO[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000188817138 636028289 /nfs/dbraw/zinc/02/82/89/636028289.db2.gz VVAXZCYMZFPTGR-SRVKXCTJSA-N 0 3 235.327 2.610 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H]1C ZINC000798506089 636550236 /nfs/dbraw/zinc/55/02/36/636550236.db2.gz SAVHRRLQOXMMGT-VXGBXAGGSA-N 0 3 249.354 2.927 20 10 BFCDHN CC[C@@H]([NH2+]C1CC(CCO)C1)c1ccccc1[O-] ZINC000898010165 636851800 /nfs/dbraw/zinc/85/18/00/636851800.db2.gz GZRZJDWWDJTIKT-ORHYLEIMSA-N 0 3 249.354 2.594 20 10 BFCDHN CCC[C@@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000927019836 636992404 /nfs/dbraw/zinc/99/24/04/636992404.db2.gz UUTMFFXNZXZPGQ-VXGBXAGGSA-N 0 3 237.343 2.594 20 10 BFCDHN CC(C)CCOCC[NH2+]Cc1ccccc1[O-] ZINC000045093838 640503731 /nfs/dbraw/zinc/50/37/31/640503731.db2.gz FUNDBALCASWDEY-UHFFFAOYSA-N 0 3 237.343 2.545 20 10 BFCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000224427356 640618936 /nfs/dbraw/zinc/61/89/36/640618936.db2.gz HFGABSHTNCPZAY-NJZAAPMLSA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000226563172 640776743 /nfs/dbraw/zinc/77/67/43/640776743.db2.gz PZEBADFWLBVFGM-LBPRGKRZSA-N 0 3 223.291 2.906 20 10 BFCDHN CC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000226563172 640776750 /nfs/dbraw/zinc/77/67/50/640776750.db2.gz PZEBADFWLBVFGM-LBPRGKRZSA-N 0 3 223.291 2.906 20 10 BFCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000226586281 640777635 /nfs/dbraw/zinc/77/76/35/640777635.db2.gz RQKOXQKJJCKKEK-VIFPVBQESA-N 0 3 223.291 2.667 20 10 BFCDHN C[C@@H](NCc1cc(F)ccc1O)c1ccccn1 ZINC000226582225 640778723 /nfs/dbraw/zinc/77/87/23/640778723.db2.gz DKACLAXWXLSLCK-SNVBAGLBSA-N 0 3 246.285 2.777 20 10 BFCDHN COc1ccc(C[NH2+]CC2(C(C)C)CC2)c([O-])c1 ZINC000227832722 640850694 /nfs/dbraw/zinc/85/06/94/640850694.db2.gz RNCIZVFHPKOCKG-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CCC[C@H](C)O)c([O-])c1 ZINC000228034811 640856580 /nfs/dbraw/zinc/85/65/80/640856580.db2.gz VTCDVRPPSUXWHN-NWDGAFQWSA-N 0 3 237.343 2.512 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c([O-])c1 ZINC000228267425 640867719 /nfs/dbraw/zinc/86/77/19/640867719.db2.gz ASOOBPJROJBMMG-SRVKXCTJSA-N 0 3 237.343 2.511 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccccc1[O-] ZINC000228794153 640895418 /nfs/dbraw/zinc/89/54/18/640895418.db2.gz XPBNRJNVRGCAGW-RWMBFGLXSA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@@H]([NH2+]C1CC(OC)C1)c1ccccc1[O-] ZINC000229578440 640967634 /nfs/dbraw/zinc/96/76/34/640967634.db2.gz IEBBVTLYVPMXLL-GCZXYKMCSA-N 0 3 235.327 2.610 20 10 BFCDHN CCOC1CC(CC[NH2+]Cc2ccccc2[O-])C1 ZINC000188779163 641768271 /nfs/dbraw/zinc/76/82/71/641768271.db2.gz LHSMLIUOQFWPFL-UHFFFAOYSA-N 0 3 249.354 2.687 20 10 BFCDHN CSCC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000076772064 641826660 /nfs/dbraw/zinc/82/66/60/641826660.db2.gz WAWWNGSTWRJGDM-JTQLQIEISA-N 0 3 225.357 2.623 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC1(C)C ZINC000732820754 641872249 /nfs/dbraw/zinc/87/22/49/641872249.db2.gz OHVCIYHZASNNEX-SNVBAGLBSA-N 0 3 235.327 2.537 20 10 BFCDHN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000191634208 641934894 /nfs/dbraw/zinc/93/48/94/641934894.db2.gz KLIRFMQZHATSLT-SDDRHHMPSA-N 0 3 237.343 2.775 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccccc1[O-] ZINC000183528317 643141239 /nfs/dbraw/zinc/14/12/39/643141239.db2.gz XPBNRJNVRGCAGW-XQQFMLRXSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1noc(C)c1[C@@H](C)NCc1ccccc1O ZINC000073007421 643349584 /nfs/dbraw/zinc/34/95/84/643349584.db2.gz PKVINPAFPRNXJU-SECBINFHSA-N 0 3 246.310 2.848 20 10 BFCDHN CSCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111411 643649195 /nfs/dbraw/zinc/64/91/95/643649195.db2.gz AICOGPNYLQEUSX-QMMMGPOBSA-N 0 3 229.320 2.545 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCS1 ZINC000922843674 644118058 /nfs/dbraw/zinc/11/80/58/644118058.db2.gz SNNIPEVHNLYRIU-ZYHUDNBSSA-N 0 3 237.368 2.766 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000922964960 644204969 /nfs/dbraw/zinc/20/49/69/644204969.db2.gz QFCWYCNEZIACRX-ABAIWWIYSA-N 0 3 247.338 2.681 20 10 BFCDHN CCc1onc(C)c1CNCc1ccccc1O ZINC000922987301 644216409 /nfs/dbraw/zinc/21/64/09/644216409.db2.gz DLSQBDDCPUQYET-UHFFFAOYSA-N 0 3 246.310 2.541 20 10 BFCDHN C[C@H]([NH2+]CCCOC(F)F)c1ccccc1[O-] ZINC000194026754 644295526 /nfs/dbraw/zinc/29/55/26/644295526.db2.gz CWMWASXEMJQTBJ-VIFPVBQESA-N 0 3 245.269 2.672 20 10 BFCDHN CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000249098397 644713444 /nfs/dbraw/zinc/71/34/44/644713444.db2.gz VVAXZCYMZFPTGR-IJLUTSLNSA-N 0 3 235.327 2.610 20 10 BFCDHN CCOCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616763 644721373 /nfs/dbraw/zinc/72/13/73/644721373.db2.gz DQQRJSPOWDMPAQ-JTQLQIEISA-N 0 3 241.306 2.609 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)c([O-])c1 ZINC000094798043 644728391 /nfs/dbraw/zinc/72/83/91/644728391.db2.gz QNZIGIJGZVOTMU-WFASDCNBSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)c([O-])c1 ZINC000094798042 644729471 /nfs/dbraw/zinc/72/94/71/644729471.db2.gz QNZIGIJGZVOTMU-DOMZBBRYSA-N 0 3 249.354 2.920 20 10 BFCDHN CCN1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000249612884 644730619 /nfs/dbraw/zinc/73/06/19/644730619.db2.gz GAXWKJCTNBUXGN-CHWSQXEVSA-N 0 3 248.370 2.527 20 10 BFCDHN CCN1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000249612886 644731435 /nfs/dbraw/zinc/73/14/35/644731435.db2.gz GAXWKJCTNBUXGN-OLZOCXBDSA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccccc1[O-] ZINC000783516346 644755874 /nfs/dbraw/zinc/75/58/74/644755874.db2.gz GXUCFPUCSTUWPM-STQMWFEESA-N 0 3 248.370 2.527 20 10 BFCDHN C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000161351750 711811250 /nfs/dbraw/zinc/81/12/50/711811250.db2.gz SUADYFWVVTUKJX-GHMZBOCLSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000161351750 711811251 /nfs/dbraw/zinc/81/12/51/711811251.db2.gz SUADYFWVVTUKJX-GHMZBOCLSA-N 0 3 205.301 2.623 20 10 BFCDHN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000716815091 712576615 /nfs/dbraw/zinc/57/66/15/712576615.db2.gz PKNGPEHZQQHKQW-QJPTWQEYSA-N 0 3 237.343 2.592 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCC(F)(F)F)CC2 ZINC000383862153 712718740 /nfs/dbraw/zinc/71/87/40/712718740.db2.gz OCIRXJBASISBRA-SECBINFHSA-N 0 3 245.244 2.922 20 10 BFCDHN COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000720137467 712827818 /nfs/dbraw/zinc/82/78/18/712827818.db2.gz GZPZKCUMHDHNSN-GHMZBOCLSA-N 0 3 237.343 2.856 20 10 BFCDHN CC1(C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000380657246 712902425 /nfs/dbraw/zinc/90/24/25/712902425.db2.gz UJKSUTHFIYAETK-LBPRGKRZSA-N 0 3 223.291 2.810 20 10 BFCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000385919229 711019369 /nfs/dbraw/zinc/01/93/69/711019369.db2.gz JBJPEZBXBPKXOG-OPQQBVKSSA-N 0 3 235.327 2.535 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c([O-])c1 ZINC000393967055 711180461 /nfs/dbraw/zinc/18/04/61/711180461.db2.gz RNITXIFCRMPMRA-MNOVXSKESA-N 0 3 237.343 2.511 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CCC2(CO)CC2)c([O-])c1 ZINC000395923181 711217249 /nfs/dbraw/zinc/21/72/49/711217249.db2.gz FYIYSMAMBBWZBV-LBPRGKRZSA-N 0 3 249.354 2.514 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1[O-] ZINC000398018089 711399605 /nfs/dbraw/zinc/39/96/05/711399605.db2.gz ARPGIPQBGGCPJO-WOPDTQHZSA-N 0 3 235.327 2.610 20 10 BFCDHN CC[C@H](O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000398551866 711411702 /nfs/dbraw/zinc/41/17/02/711411702.db2.gz GVSJCVDMXDFFFN-NEPJUHHUSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@H](O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000398551871 711411850 /nfs/dbraw/zinc/41/18/50/711411850.db2.gz GVSJCVDMXDFFFN-RYUDHWBXSA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2=CCOCC2)c([O-])c1 ZINC000397710541 711389576 /nfs/dbraw/zinc/38/95/76/711389576.db2.gz PCUZADGXDULVLG-GFCCVEGCSA-N 0 3 247.338 2.698 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CS1 ZINC000397870273 711394231 /nfs/dbraw/zinc/39/42/31/711394231.db2.gz SJYGOXMAKVZVCU-ADEWGFFLSA-N 0 3 249.379 2.863 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000387350023 711788444 /nfs/dbraw/zinc/78/84/44/711788444.db2.gz VERRSVCKQJCKPA-ZDUSSCGKSA-N 0 3 235.302 2.954 20 10 BFCDHN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccccc1[O-] ZINC000161351867 711811456 /nfs/dbraw/zinc/81/14/56/711811456.db2.gz SUADYFWVVTUKJX-WDEREUQCSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1[O-] ZINC000161351867 711811457 /nfs/dbraw/zinc/81/14/57/711811457.db2.gz SUADYFWVVTUKJX-WDEREUQCSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@H](NCCc1ccc(N)cc1)c1cscn1 ZINC000700455413 711995038 /nfs/dbraw/zinc/99/50/38/711995038.db2.gz QTMQGPCVMFRMQT-JTQLQIEISA-N 0 3 247.367 2.619 20 10 BFCDHN Cc1ncccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000705539469 712132603 /nfs/dbraw/zinc/13/26/03/712132603.db2.gz UKQWQVLTWHANRA-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1C=CCC1)CC2 ZINC000711766795 712327472 /nfs/dbraw/zinc/32/74/72/712327472.db2.gz JKPSOTBJEBEIAR-AAEUAGOBSA-N 0 3 229.323 2.935 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000378706347 712358240 /nfs/dbraw/zinc/35/82/40/712358240.db2.gz PYCNLLORWGBECR-VXGBXAGGSA-N 0 3 223.291 2.763 20 10 BFCDHN C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1[O-] ZINC000378805051 712362709 /nfs/dbraw/zinc/36/27/09/712362709.db2.gz WLTQSJBUJDLGQZ-HGNGGELXSA-N 0 3 227.254 2.696 20 10 BFCDHN C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1[O-] ZINC000378805053 712362757 /nfs/dbraw/zinc/36/27/57/712362757.db2.gz WLTQSJBUJDLGQZ-JEZHCXPESA-N 0 3 227.254 2.696 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC13CC3)CC2 ZINC000715302758 712515804 /nfs/dbraw/zinc/51/58/04/712515804.db2.gz KGUMYIFVNCQLNM-ZYHUDNBSSA-N 0 3 215.296 2.522 20 10 BFCDHN Cc1cc(CN[C@@H](C)c2cc(C)ccc2O)[nH]n1 ZINC000716460687 712563042 /nfs/dbraw/zinc/56/30/42/712563042.db2.gz UYMPYCKXXDIWOE-NSHDSACASA-N 0 3 245.326 2.583 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1[O-] ZINC000379960875 712636989 /nfs/dbraw/zinc/63/69/89/712636989.db2.gz BRJNZRAQNKXLEW-NWDGAFQWSA-N 0 3 233.311 2.736 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1[O-] ZINC000717390689 712653523 /nfs/dbraw/zinc/65/35/23/712653523.db2.gz BZGMPPZDPRLAJQ-NWDGAFQWSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1[O-] ZINC000717391254 712653834 /nfs/dbraw/zinc/65/38/34/712653834.db2.gz BZGMPPZDPRLAJQ-VXGBXAGGSA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717616180 712662518 /nfs/dbraw/zinc/66/25/18/712662518.db2.gz VZAJZOATZNAKMV-KBPBESRZSA-N 0 3 249.354 2.594 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC=CO1)CC2 ZINC000380008696 712669745 /nfs/dbraw/zinc/66/97/45/712669745.db2.gz FVIDJXMFHRTRRI-STQMWFEESA-N 0 3 245.322 2.662 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C=CCCC2)c([O-])c1 ZINC001330625270 975637463 /nfs/dbraw/zinc/63/74/63/975637463.db2.gz MZJDQBKOSBTTRW-CYBMUJFWSA-N 0 3 217.312 2.899 20 10 BFCDHN CC[N@H+](CCCSC)Cc1ccccc1[O-] ZINC001201696451 983406488 /nfs/dbraw/zinc/40/64/88/983406488.db2.gz MEQOKHJAFIOGFA-UHFFFAOYSA-N 0 3 239.384 2.967 20 10 BFCDHN CC[N@@H+](CCCSC)Cc1ccccc1[O-] ZINC001201696451 983406494 /nfs/dbraw/zinc/40/64/94/983406494.db2.gz MEQOKHJAFIOGFA-UHFFFAOYSA-N 0 3 239.384 2.967 20 10 BFCDHN CCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201717652 983423366 /nfs/dbraw/zinc/42/33/66/983423366.db2.gz YYUAVVRKZVQGLW-UHFFFAOYSA-N 0 3 205.301 2.550 20 10 BFCDHN CCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001201717652 983423382 /nfs/dbraw/zinc/42/33/82/983423382.db2.gz YYUAVVRKZVQGLW-UHFFFAOYSA-N 0 3 205.301 2.550 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCS[C@H]2C)c([O-])c1 ZINC000877607276 983955967 /nfs/dbraw/zinc/95/59/67/983955967.db2.gz CLLQGWBGCSYIIZ-JQWIXIFHSA-N 0 3 237.368 2.684 20 10 BFCDHN CC[C@H]1C[N@H+](Cc2ccccc2[O-])[C@@H](CC)CO1 ZINC000403888188 971083660 /nfs/dbraw/zinc/08/36/60/971083660.db2.gz VVDYMKKWDRFIKZ-KBPBESRZSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[C@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H](CC)CO1 ZINC000403888188 971083665 /nfs/dbraw/zinc/08/36/65/971083665.db2.gz VVDYMKKWDRFIKZ-KBPBESRZSA-N 0 3 249.354 2.782 20 10 BFCDHN CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3cccc(O)c3[O-])C[C@@H]21 ZINC001170727475 971665537 /nfs/dbraw/zinc/66/55/37/971665537.db2.gz MTILPDTZDCSNIF-CNDDSTCGSA-N 0 3 247.338 2.622 20 10 BFCDHN COc1ccc(C[N@H+](C)CCC2CC2)c([O-])c1 ZINC000092067234 958751414 /nfs/dbraw/zinc/75/14/14/958751414.db2.gz YAFTYZYJZKILGW-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN COc1ccc(C[N@@H+](C)CCC2CC2)c([O-])c1 ZINC000092067234 958751429 /nfs/dbraw/zinc/75/14/29/958751429.db2.gz YAFTYZYJZKILGW-UHFFFAOYSA-N 0 3 235.327 2.633 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC2CCC1CC2 ZINC000309515478 959898507 /nfs/dbraw/zinc/89/85/07/959898507.db2.gz UNBHOSNVDOJXEL-UHFFFAOYSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC2CCC1CC2 ZINC000309515478 959898510 /nfs/dbraw/zinc/89/85/10/959898510.db2.gz UNBHOSNVDOJXEL-UHFFFAOYSA-N 0 3 217.312 2.767 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccoc1)CC2 ZINC000692672787 960425183 /nfs/dbraw/zinc/42/51/83/960425183.db2.gz UQKAKPQNFSVTBU-ZDUSSCGKSA-N 0 3 243.306 2.805 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccoc1)CC2 ZINC000692672783 960425763 /nfs/dbraw/zinc/42/57/63/960425763.db2.gz UQKAKPQNFSVTBU-CYBMUJFWSA-N 0 3 243.306 2.805 20 10 BFCDHN Cc1c[nH]c(CN(C)Cc2ccccc2O)c1C ZINC001140862174 960640242 /nfs/dbraw/zinc/64/02/42/960640242.db2.gz XXNBZQVGQBDKHT-UHFFFAOYSA-N 0 3 244.338 2.969 20 10 BFCDHN Cc1c[nH]c(C[N@@H+](C)Cc2ccccc2[O-])c1C ZINC001140862174 960640249 /nfs/dbraw/zinc/64/02/49/960640249.db2.gz XXNBZQVGQBDKHT-UHFFFAOYSA-N 0 3 244.338 2.969 20 10 BFCDHN Cc1c[nH]c(C[N@H+](C)Cc2ccccc2[O-])c1C ZINC001140862174 960640260 /nfs/dbraw/zinc/64/02/60/960640260.db2.gz XXNBZQVGQBDKHT-UHFFFAOYSA-N 0 3 244.338 2.969 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c([O-])c1 ZINC001140947747 960748274 /nfs/dbraw/zinc/74/82/74/960748274.db2.gz DDLYNNNEMVMDMB-AWEZNQCLSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(CF)C2)c([O-])c1 ZINC001140947747 960748286 /nfs/dbraw/zinc/74/82/86/960748286.db2.gz DDLYNNNEMVMDMB-AWEZNQCLSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc(C[NH+]2CCC(CF)CC2)c([O-])c1 ZINC001140950880 960757446 /nfs/dbraw/zinc/75/74/46/960757446.db2.gz MQIDNZYIJOJFFN-UHFFFAOYSA-N 0 3 237.318 2.882 20 10 BFCDHN c1c(CN2CCC2)cc2c3c1CCCN3CCC2 ZINC001141074198 960859981 /nfs/dbraw/zinc/85/99/81/960859981.db2.gz ARLNIAUZHZEPDL-UHFFFAOYSA-N 0 3 242.366 2.591 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000402057334 961737133 /nfs/dbraw/zinc/73/71/33/961737133.db2.gz RYIMGNJEQZUODZ-SRVKXCTJSA-N 0 3 235.327 2.529 20 10 BFCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@@H](C)C1 ZINC001168136488 963832646 /nfs/dbraw/zinc/83/26/46/963832646.db2.gz KHEZCUXAVQOMJE-GXTWGEPZSA-N 0 3 249.354 2.782 20 10 BFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@@H](C)C1 ZINC001168136488 963832648 /nfs/dbraw/zinc/83/26/48/963832648.db2.gz KHEZCUXAVQOMJE-GXTWGEPZSA-N 0 3 249.354 2.782 20 10 BFCDHN C[C@@]1(CF)CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550531 966685062 /nfs/dbraw/zinc/68/50/62/966685062.db2.gz XZOONAVFPBYNCI-ZDUSSCGKSA-N 0 3 223.291 2.574 20 10 BFCDHN C[C@@]1(CF)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550531 966685065 /nfs/dbraw/zinc/68/50/65/966685065.db2.gz XZOONAVFPBYNCI-ZDUSSCGKSA-N 0 3 223.291 2.574 20 10 BFCDHN CCN(Cc1cccnc1)Cc1ccccc1O ZINC001203556976 966692964 /nfs/dbraw/zinc/69/29/64/966692964.db2.gz XTKUPXAOVKWKAZ-UHFFFAOYSA-N 0 3 242.322 2.809 20 10 BFCDHN CC[N@H+](Cc1cccnc1)Cc1ccccc1[O-] ZINC001203556976 966692974 /nfs/dbraw/zinc/69/29/74/966692974.db2.gz XTKUPXAOVKWKAZ-UHFFFAOYSA-N 0 3 242.322 2.809 20 10 BFCDHN CC[N@@H+](Cc1cccnc1)Cc1ccccc1[O-] ZINC001203556976 966692977 /nfs/dbraw/zinc/69/29/77/966692977.db2.gz XTKUPXAOVKWKAZ-UHFFFAOYSA-N 0 3 242.322 2.809 20 10 BFCDHN COc1ccc(C[NH+]2CC3(C2)CCCC3)c([O-])c1 ZINC001203622063 966710899 /nfs/dbraw/zinc/71/08/99/966710899.db2.gz NCKMFNMVQWEGOW-UHFFFAOYSA-N 0 3 247.338 2.777 20 10 BFCDHN Oc1ccc(CN2CCC3(CCC3)CC2)cc1O ZINC001203875553 966806382 /nfs/dbraw/zinc/80/63/82/966806382.db2.gz PTPIENCLNHVPHU-UHFFFAOYSA-N 0 3 247.338 2.864 20 10 BFCDHN CN(C)c1ccc(CN2CC3(CCC3)C2)cc1 ZINC001203930716 966825799 /nfs/dbraw/zinc/82/57/99/966825799.db2.gz FTBZNBUJQHGILN-UHFFFAOYSA-N 0 3 230.355 2.739 20 10 BFCDHN CC[N@H+](Cc1ccc[nH]1)Cc1ccccc1[O-] ZINC001204011646 966851323 /nfs/dbraw/zinc/85/13/23/966851323.db2.gz YHAMTWHODIXBQV-UHFFFAOYSA-N 0 3 230.311 2.742 20 10 BFCDHN CC[N@@H+](Cc1ccc[nH]1)Cc1ccccc1[O-] ZINC001204011646 966851329 /nfs/dbraw/zinc/85/13/29/966851329.db2.gz YHAMTWHODIXBQV-UHFFFAOYSA-N 0 3 230.311 2.742 20 10 BFCDHN CCc1cc(Nc2cc(C)ccc2O)ccn1 ZINC001214223894 970474897 /nfs/dbraw/zinc/47/48/97/970474897.db2.gz YUIDPMPJSTYIJP-UHFFFAOYSA-N 0 3 228.295 2.824 20 10 BFCDHN CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173264080 975121913 /nfs/dbraw/zinc/12/19/13/975121913.db2.gz QTURRXJXPOCJDQ-ZYHUDNBSSA-N 0 3 235.327 2.766 20 10 BFCDHN Cc1ccc(C[NH2+]CCCC(F)F)c([O-])c1 ZINC001333855933 976123826 /nfs/dbraw/zinc/12/38/26/976123826.db2.gz YQUGDOICIHWPPK-UHFFFAOYSA-N 0 3 229.270 2.836 20 10 BFCDHN Cc1cnccc1Nc1ccc(Cl)cc1O ZINC001174540369 976830914 /nfs/dbraw/zinc/83/09/14/976830914.db2.gz XIDQHIGJHVNTNG-UHFFFAOYSA-N 0 3 234.686 2.915 20 10 BFCDHN Cc1cnccc1Nc1c(C)cccc1O ZINC001174540376 976832379 /nfs/dbraw/zinc/83/23/79/976832379.db2.gz XWLCKYZZWLQNME-UHFFFAOYSA-N 0 3 214.268 2.570 20 10 BFCDHN C[C@H](c1ccccn1)N(C)Cc1ccc(N)cc1 ZINC001336117970 977515407 /nfs/dbraw/zinc/51/54/07/977515407.db2.gz SJGHNMWMZJAYFV-GFCCVEGCSA-N 0 3 241.338 2.857 20 10 BFCDHN CC1C[NH+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588437 977633943 /nfs/dbraw/zinc/63/39/43/977633943.db2.gz QKRAZFFHHDRMPZ-UHFFFAOYSA-N 0 3 227.307 2.997 20 10 BFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC1 ZINC001231588800 977635137 /nfs/dbraw/zinc/63/51/37/977635137.db2.gz UPPOMLDYSDDYPA-UHFFFAOYSA-N 0 3 213.280 2.751 20 10 BFCDHN Cc1cc(C)c(CN2CC[C@H](F)C2)c(O)c1 ZINC001231843350 977760316 /nfs/dbraw/zinc/76/03/16/977760316.db2.gz WOHNVXKXXPTGJL-NSHDSACASA-N 0 3 223.291 2.553 20 10 BFCDHN Cc1cc(C)c(CN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001231842631 977760399 /nfs/dbraw/zinc/76/03/99/977760399.db2.gz VVSYQXCYDZMLCT-BETUJISGSA-N 0 3 249.354 2.618 20 10 BFCDHN C[NH+](C)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676442 979119014 /nfs/dbraw/zinc/11/90/14/979119014.db2.gz SOKMXXCRHWCUIG-UHFFFAOYSA-N 0 3 207.317 2.751 20 10 BFCDHN COc1cc(C)c(C[NH2+]C/C=C/C2CC2)c([O-])c1 ZINC001182088684 979452299 /nfs/dbraw/zinc/45/22/99/979452299.db2.gz XEJIWQXAOINBFO-ONEGZZNKSA-N 0 3 247.338 2.765 20 10 BFCDHN CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])c1 ZINC001236786506 979730100 /nfs/dbraw/zinc/73/01/00/979730100.db2.gz CASKJBWCVGTIRR-IHRRRGAJSA-N 0 3 249.329 2.887 20 10 BFCDHN CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])c1 ZINC001236786506 979730106 /nfs/dbraw/zinc/73/01/06/979730106.db2.gz CASKJBWCVGTIRR-IHRRRGAJSA-N 0 3 249.329 2.887 20 10 BFCDHN CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001236786027 979731203 /nfs/dbraw/zinc/73/12/03/979731203.db2.gz CASKJBWCVGTIRR-MELADBBJSA-N 0 3 249.329 2.887 20 10 BFCDHN CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001236786027 979731210 /nfs/dbraw/zinc/73/12/10/979731210.db2.gz CASKJBWCVGTIRR-MELADBBJSA-N 0 3 249.329 2.887 20 10 BFCDHN CCc1ccc(C[NH+]2CC3CC(C3)C2)c([O-])c1 ZINC001236791487 979737991 /nfs/dbraw/zinc/73/79/91/979737991.db2.gz HSZDFLYEBAHUNV-UHFFFAOYSA-N 0 3 231.339 2.796 20 10 BFCDHN CCc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001236793538 979739181 /nfs/dbraw/zinc/73/91/81/979739181.db2.gz YIXCPYRYYBMBJT-GXTWGEPZSA-N 0 3 231.339 2.939 20 10 BFCDHN CCc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001236793538 979739187 /nfs/dbraw/zinc/73/91/87/979739187.db2.gz YIXCPYRYYBMBJT-GXTWGEPZSA-N 0 3 231.339 2.939 20 10 BFCDHN CC[N@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236838928 979750465 /nfs/dbraw/zinc/75/04/65/979750465.db2.gz HWIJMVOTUPBPQN-UHFFFAOYSA-N 0 3 215.296 2.997 20 10 BFCDHN CC[N@@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236838928 979750468 /nfs/dbraw/zinc/75/04/68/979750468.db2.gz HWIJMVOTUPBPQN-UHFFFAOYSA-N 0 3 215.296 2.997 20 10 BFCDHN CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237044770 979807515 /nfs/dbraw/zinc/80/75/15/979807515.db2.gz DGOWYNNSPSEHQT-AWEZNQCLSA-N 0 3 249.354 2.736 20 10 BFCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237044770 979807518 /nfs/dbraw/zinc/80/75/18/979807518.db2.gz DGOWYNNSPSEHQT-AWEZNQCLSA-N 0 3 249.354 2.736 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+](C)CC1CCC1 ZINC001237489898 979917076 /nfs/dbraw/zinc/91/70/76/979917076.db2.gz NCWODYVQKVHCEN-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1CCC1 ZINC001237489898 979917083 /nfs/dbraw/zinc/91/70/83/979917083.db2.gz NCWODYVQKVHCEN-UHFFFAOYSA-N 0 3 219.328 2.933 20 10 BFCDHN Oc1cccc2c1CN(CCC(F)(F)F)CC2 ZINC001202353093 983636908 /nfs/dbraw/zinc/63/69/08/983636908.db2.gz ZUKRKIDJPVAJDL-UHFFFAOYSA-N 0 3 245.244 2.703 20 10 BFCDHN CC1CC(C[NH2+]Cc2ccccc2[O-])C1 ZINC000691911734 984940198 /nfs/dbraw/zinc/94/01/98/984940198.db2.gz FCPSPKPVECPJQX-UHFFFAOYSA-N 0 3 205.301 2.528 20 10 BFCDHN CO[C@@H](C)C[N@H+](Cc1ccccc1[O-])C(C)C ZINC000688097365 985552444 /nfs/dbraw/zinc/55/24/44/985552444.db2.gz XCNVAIXHDWTOPX-LBPRGKRZSA-N 0 3 237.343 2.638 20 10 BFCDHN CO[C@@H](C)C[N@@H+](Cc1ccccc1[O-])C(C)C ZINC000688097365 985552464 /nfs/dbraw/zinc/55/24/64/985552464.db2.gz XCNVAIXHDWTOPX-LBPRGKRZSA-N 0 3 237.343 2.638 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCCF)CC2 ZINC000381617321 986305724 /nfs/dbraw/zinc/30/57/24/986305724.db2.gz WEHHQNWXPWHGPG-LLVKDONJSA-N 0 3 223.291 2.719 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCCF)CC2 ZINC000381617329 986307180 /nfs/dbraw/zinc/30/71/80/986307180.db2.gz WEHHQNWXPWHGPG-NSHDSACASA-N 0 3 223.291 2.719 20 10 BFCDHN COc1cc(C)cc(CN2CC3(CCC3)C2)c1O ZINC001462324178 986348929 /nfs/dbraw/zinc/34/89/29/986348929.db2.gz XXYJCCJKVPKVAF-UHFFFAOYSA-N 0 3 247.338 2.695 20 10 BFCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)c([O-])c1 ZINC000397659493 986997580 /nfs/dbraw/zinc/99/75/80/986997580.db2.gz DZUFBYHVWIULTR-GWCFXTLKSA-N 0 3 249.354 2.925 20 10 BFCDHN CCOC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000691168908 987286926 /nfs/dbraw/zinc/28/69/26/987286926.db2.gz JQOPQAGEZPEHCO-UHFFFAOYSA-N 0 3 249.354 2.830 20 10 BFCDHN C[C@H]([NH2+]Cc1cccc(N)c1)c1ccccc1[O-] ZINC001473723731 987536610 /nfs/dbraw/zinc/53/66/10/987536610.db2.gz JKUDHPQWZYAHNE-NSHDSACASA-N 0 3 242.322 2.825 20 10 BFCDHN CC(C)c1ccc(O)c(CNCCF)c1 ZINC001474483403 987734927 /nfs/dbraw/zinc/73/49/27/987734927.db2.gz GGEFRPGSMVJFIV-UHFFFAOYSA-N 0 3 211.280 2.575 20 10 BFCDHN CCC1C[NH+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001474567111 987762844 /nfs/dbraw/zinc/76/28/44/987762844.db2.gz XYBUYUBPWHNOFY-UHFFFAOYSA-N 0 3 235.327 2.551 20 10 BFCDHN COc1cc(C)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001308619416 991067847 /nfs/dbraw/zinc/06/78/47/991067847.db2.gz MVYWROSZMPGXMR-RYUDHWBXSA-N 0 3 249.354 2.797 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001140062649 991516731 /nfs/dbraw/zinc/51/67/31/991516731.db2.gz CUDOJQHTSYTREU-UHFFFAOYSA-N 0 3 221.275 2.517 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC2(CC2)C1 ZINC001140062649 991516742 /nfs/dbraw/zinc/51/67/42/991516742.db2.gz CUDOJQHTSYTREU-UHFFFAOYSA-N 0 3 221.275 2.517 20 10 BFCDHN CS[C@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296833258 398191847 /nfs/dbraw/zinc/19/18/47/398191847.db2.gz MQONUQDWBKWFGV-MWLCHTKSSA-N 0 3 237.368 2.721 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000172493579 178195626 /nfs/dbraw/zinc/19/56/26/178195626.db2.gz UBBPVUOEYCGYAB-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000172493579 178195628 /nfs/dbraw/zinc/19/56/28/178195628.db2.gz UBBPVUOEYCGYAB-CYBMUJFWSA-N 0 3 249.354 2.620 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1C ZINC000266144677 178197774 /nfs/dbraw/zinc/19/77/74/178197774.db2.gz IIXCNJUYFWYLBY-QWHCGFSZSA-N 0 3 249.354 2.524 20 10 BFCDHN CCCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000019901356 342962198 /nfs/dbraw/zinc/96/21/98/342962198.db2.gz SSIJQGLHLLDFTI-UHFFFAOYSA-N 0 3 223.316 2.681 20 10 BFCDHN CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccccc1[O-] ZINC000081709216 344147531 /nfs/dbraw/zinc/14/75/31/344147531.db2.gz PBKRXNNMMPGQSP-WCQYABFASA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)CCCO)c1ccccc1[O-] ZINC000094942503 344331904 /nfs/dbraw/zinc/33/19/04/344331904.db2.gz VPHLCVDQYBEGBH-DGCLKSJQSA-N 0 3 237.343 2.594 20 10 BFCDHN CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000042551925 344459244 /nfs/dbraw/zinc/45/92/44/344459244.db2.gz QNXVARCUFHFBEV-GHMZBOCLSA-N 0 3 207.317 2.916 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000128194156 178804633 /nfs/dbraw/zinc/80/46/33/178804633.db2.gz TWEULQCQIHMUIK-GDLCADMTSA-N 0 3 249.354 2.511 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000042815147 178803709 /nfs/dbraw/zinc/80/37/09/178803709.db2.gz CRRXXCCUHCKQHK-CHWSQXEVSA-N 0 3 249.354 2.920 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000092471591 345623474 /nfs/dbraw/zinc/62/34/74/345623474.db2.gz IDBFYNPUVMOEDY-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C)C2)c1 ZINC000092471591 345623476 /nfs/dbraw/zinc/62/34/76/345623476.db2.gz IDBFYNPUVMOEDY-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000179714700 179069095 /nfs/dbraw/zinc/06/90/95/179069095.db2.gz QSBXGMVHNXQXPK-NSHDSACASA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000179714700 179069096 /nfs/dbraw/zinc/06/90/96/179069096.db2.gz QSBXGMVHNXQXPK-NSHDSACASA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(CN(C)Cc2ccccn2)c1O ZINC000273356262 179064953 /nfs/dbraw/zinc/06/49/53/179064953.db2.gz BZZBQWWMIWRHKG-UHFFFAOYSA-N 0 3 242.322 2.728 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC000162816542 179082757 /nfs/dbraw/zinc/08/27/57/179082757.db2.gz BLDASYKWTWLUGF-JTQLQIEISA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC000162816542 179082758 /nfs/dbraw/zinc/08/27/58/179082758.db2.gz BLDASYKWTWLUGF-JTQLQIEISA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc(C[NH2+]CC2(C)CCOCC2)c1[O-] ZINC000224897176 179089635 /nfs/dbraw/zinc/08/96/35/179089635.db2.gz GCYMVIYPXYNPJC-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1cccc(C[NH2+]CC2CC(F)(F)C2)c1[O-] ZINC000292691797 179090157 /nfs/dbraw/zinc/09/01/57/179090157.db2.gz BLVIZPXHWCFYRK-UHFFFAOYSA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1cccc(C[NH2+]C[C@H]2CCSC2)c1[O-] ZINC000228553730 179094170 /nfs/dbraw/zinc/09/41/70/179094170.db2.gz LKDFXHKIGPBRBV-LLVKDONJSA-N 0 3 237.368 2.543 20 10 BFCDHN Cc1cccc(C[NH2+][C@H](C)C2CC2)c1[O-] ZINC000162825328 179100746 /nfs/dbraw/zinc/10/07/46/179100746.db2.gz FGDWGUXRZQUTIY-SNVBAGLBSA-N 0 3 205.301 2.589 20 10 BFCDHN Cc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1[O-] ZINC000124863379 179101116 /nfs/dbraw/zinc/10/11/16/179101116.db2.gz DVRFMJNVZGAURC-ZDUSSCGKSA-N 0 3 249.354 2.748 20 10 BFCDHN CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccccc1[O-] ZINC000229564813 350579932 /nfs/dbraw/zinc/57/99/32/350579932.db2.gz JEMGKUIWUBZERY-ZWNOBZJWSA-N 0 3 245.326 2.917 20 10 BFCDHN CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1[O-] ZINC000229562357 350579961 /nfs/dbraw/zinc/57/99/61/350579961.db2.gz SUSOWUVBSRDURM-ZYHUDNBSSA-N 0 3 237.368 2.938 20 10 BFCDHN CC1(C)OCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296596492 188096616 /nfs/dbraw/zinc/09/66/16/188096616.db2.gz VIFZUHFBEOUUOE-DGCLKSJQSA-N 0 3 247.338 2.537 20 10 BFCDHN CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000076274244 188134008 /nfs/dbraw/zinc/13/40/08/188134008.db2.gz CRLKMILBZAGICI-MRVPVSSYSA-N 0 3 243.734 2.942 20 10 BFCDHN Cc1cccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1[O-] ZINC000291175604 188212153 /nfs/dbraw/zinc/21/21/53/188212153.db2.gz FCDVNAKAWALIBE-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1[O-] ZINC000291175604 188212154 /nfs/dbraw/zinc/21/21/54/188212154.db2.gz FCDVNAKAWALIBE-CQSZACIVSA-N 0 3 249.354 2.700 20 10 BFCDHN CC[N@H+](Cc1cccc(C)c1[O-])C(C)C ZINC000162808222 361365007 /nfs/dbraw/zinc/36/50/07/361365007.db2.gz PAJKMVLQPXRESQ-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN CC[N@@H+](Cc1cccc(C)c1[O-])C(C)C ZINC000162808222 361365010 /nfs/dbraw/zinc/36/50/10/361365010.db2.gz PAJKMVLQPXRESQ-UHFFFAOYSA-N 0 3 207.317 2.931 20 10 BFCDHN CC1(C)C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296766703 364785293 /nfs/dbraw/zinc/78/52/93/364785293.db2.gz KJYZFENRKRSTIM-ZYHUDNBSSA-N 0 3 217.312 2.768 20 10 BFCDHN CC1(C)C[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296766693 364785376 /nfs/dbraw/zinc/78/53/76/364785376.db2.gz KJYZFENRKRSTIM-JQWIXIFHSA-N 0 3 217.312 2.768 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000180162279 183274768 /nfs/dbraw/zinc/27/47/68/183274768.db2.gz ODXFONZPXFCAFS-PHIMTYICSA-N 0 3 235.302 2.763 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000180162279 183274770 /nfs/dbraw/zinc/27/47/70/183274770.db2.gz ODXFONZPXFCAFS-PHIMTYICSA-N 0 3 235.302 2.763 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000367957899 183275639 /nfs/dbraw/zinc/27/56/39/183275639.db2.gz QMUSCSOCUKXBDA-ZWNOBZJWSA-N 0 3 235.302 2.906 20 10 BFCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000367957899 183275643 /nfs/dbraw/zinc/27/56/43/183275643.db2.gz QMUSCSOCUKXBDA-ZWNOBZJWSA-N 0 3 235.302 2.906 20 10 BFCDHN CCC[N@H+](Cc1cc(OC)ccc1[O-])C1CC1 ZINC000179683792 169173973 /nfs/dbraw/zinc/17/39/73/169173973.db2.gz CBOSKYCVUAIBNV-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCC[N@@H+](Cc1cc(OC)ccc1[O-])C1CC1 ZINC000179683792 169173975 /nfs/dbraw/zinc/17/39/75/169173975.db2.gz CBOSKYCVUAIBNV-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCSC1)CC2 ZINC000296604478 183297215 /nfs/dbraw/zinc/29/72/15/183297215.db2.gz XZVHXZUJVVARAZ-JQWIXIFHSA-N 0 3 249.379 2.722 20 10 BFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CC(F)(F)C1)CC2 ZINC000296337917 183297527 /nfs/dbraw/zinc/29/75/27/183297527.db2.gz GRTBLESUIBHGCI-SNVBAGLBSA-N 0 3 239.265 2.767 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000083367210 183301351 /nfs/dbraw/zinc/30/13/51/183301351.db2.gz QDVHCPGQKHSHEH-UHFFFAOYSA-N 0 3 239.318 2.649 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC1CCCC1 ZINC000037258171 183301585 /nfs/dbraw/zinc/30/15/85/183301585.db2.gz YMDOYXVXTANKJX-UHFFFAOYSA-N 0 3 205.301 2.672 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000378492358 183302017 /nfs/dbraw/zinc/30/20/17/183302017.db2.gz GYOZXQRMXKFSOU-ZDUSSCGKSA-N 0 3 243.306 2.975 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000378492358 183302019 /nfs/dbraw/zinc/30/20/19/183302019.db2.gz GYOZXQRMXKFSOU-ZDUSSCGKSA-N 0 3 243.306 2.975 20 10 BFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281670764 183303139 /nfs/dbraw/zinc/30/31/39/183303139.db2.gz OAFBJRGFMKQFEY-JTQLQIEISA-N 0 3 241.281 2.917 20 10 BFCDHN CC[C@@H]([NH2+]CC1CCOCC1)c1ccccc1[O-] ZINC000111155042 383836735 /nfs/dbraw/zinc/83/67/35/383836735.db2.gz CMGXASRDHHREBQ-CQSZACIVSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])OC ZINC000290271045 383963234 /nfs/dbraw/zinc/96/32/34/383963234.db2.gz WDYHHENFLHYYTR-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccc(O)c(CN[C@H](C)c2ccccn2)c1 ZINC000071406379 384164879 /nfs/dbraw/zinc/16/48/79/384164879.db2.gz PNCVHEFARKLLJV-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC000132446897 384230048 /nfs/dbraw/zinc/23/00/48/384230048.db2.gz VSDCHQICGDYRLS-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC000132446897 384230053 /nfs/dbraw/zinc/23/00/53/384230053.db2.gz VSDCHQICGDYRLS-NSHDSACASA-N 0 3 235.327 2.775 20 10 BFCDHN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000042812018 384247813 /nfs/dbraw/zinc/24/78/13/384247813.db2.gz BHTSOAZMXHHWKU-NEPJUHHUSA-N 0 3 235.327 2.612 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000042815152 384248405 /nfs/dbraw/zinc/24/84/05/384248405.db2.gz CRRXXCCUHCKQHK-QWHCGFSZSA-N 0 3 249.354 2.920 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCC2)c1 ZINC000093475910 384241845 /nfs/dbraw/zinc/24/18/45/384241845.db2.gz OWTQASWPIMOKLV-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCC2)c1 ZINC000093475910 384241850 /nfs/dbraw/zinc/24/18/50/384241850.db2.gz OWTQASWPIMOKLV-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN COCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618331 384306501 /nfs/dbraw/zinc/30/65/01/384306501.db2.gz RHVDVIZVVRSISH-UWVGGRQHSA-N 0 3 241.306 2.607 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)CCCO)c1ccccc1[O-] ZINC000094942500 384319011 /nfs/dbraw/zinc/31/90/11/384319011.db2.gz VPHLCVDQYBEGBH-AAEUAGOBSA-N 0 3 237.343 2.594 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCCO)c([O-])c1 ZINC000094942341 384319167 /nfs/dbraw/zinc/31/91/67/384319167.db2.gz NNJWYSRPVANAFM-NEPJUHHUSA-N 0 3 237.343 2.512 20 10 BFCDHN COC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000045657303 384402011 /nfs/dbraw/zinc/40/20/11/384402011.db2.gz XEINJWIJBWXEKB-RYUDHWBXSA-N 0 3 237.343 2.634 20 10 BFCDHN CCC1([NH2+]Cc2cccc(OC)c2[O-])CCC1 ZINC000135623544 384457405 /nfs/dbraw/zinc/45/74/05/384457405.db2.gz FLKRQYNOYQIYGU-UHFFFAOYSA-N 0 3 235.327 2.823 20 10 BFCDHN CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000135749949 384465263 /nfs/dbraw/zinc/46/52/63/384465263.db2.gz XVVSZAPAEMGBNA-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN CC[C@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000135749949 384465268 /nfs/dbraw/zinc/46/52/68/384465268.db2.gz XVVSZAPAEMGBNA-NSHDSACASA-N 0 3 235.327 2.633 20 10 BFCDHN C[C@H]([NH2+]CCc1ccncc1)c1ccccc1[O-] ZINC000048261299 384484666 /nfs/dbraw/zinc/48/46/66/384484666.db2.gz VKCXHCVMZZPXRM-LBPRGKRZSA-N 0 3 242.322 2.681 20 10 BFCDHN CC[C@H](COC)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000079737063 384511977 /nfs/dbraw/zinc/51/19/77/384511977.db2.gz PBKFQVAFNBWJJD-DGCLKSJQSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@H](COC)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000079733410 384512107 /nfs/dbraw/zinc/51/21/07/384512107.db2.gz MIKZQRCHQRLSJL-NWDGAFQWSA-N 0 3 237.343 2.776 20 10 BFCDHN CC[C@H](COC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000079737056 384510844 /nfs/dbraw/zinc/51/08/44/384510844.db2.gz PBKFQVAFNBWJJD-YPMHNXCESA-N 0 3 237.343 2.858 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c([O-])c1 ZINC000020092497 384574945 /nfs/dbraw/zinc/57/49/45/384574945.db2.gz SZNFZEFHJCYCSR-VXGBXAGGSA-N 0 3 235.327 2.530 20 10 BFCDHN CC[C@@H](CSC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000162165294 384582751 /nfs/dbraw/zinc/58/27/51/384582751.db2.gz BRCDTOFJDILNBP-LBPRGKRZSA-N 0 3 239.384 2.932 20 10 BFCDHN COC[C@]1(C)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294206708 384591962 /nfs/dbraw/zinc/59/19/62/384591962.db2.gz MFNKBCVKYRTVBD-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@]1(C)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000294206708 384591968 /nfs/dbraw/zinc/59/19/68/384591968.db2.gz MFNKBCVKYRTVBD-OAHLLOKOSA-N 0 3 249.354 2.559 20 10 BFCDHN CC(C)CCC[NH2+]Cc1ccccc1[O-] ZINC000038093301 384789373 /nfs/dbraw/zinc/78/93/73/384789373.db2.gz LGTCIHYHXPHUGK-UHFFFAOYSA-N 0 3 207.317 2.918 20 10 BFCDHN CC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000083755588 384795501 /nfs/dbraw/zinc/79/55/01/384795501.db2.gz UNWORSGGZWJVFC-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN C/C=C/C[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000186426276 384841881 /nfs/dbraw/zinc/84/18/81/384841881.db2.gz QNABVUAATAYMRP-FLBZCCBISA-N 0 3 249.354 2.760 20 10 BFCDHN C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cc(F)ccc1[O-] ZINC000087111394 385073871 /nfs/dbraw/zinc/07/38/71/385073871.db2.gz PITARUQLJWKDIA-PRHODGIISA-N 0 3 223.291 2.980 20 10 BFCDHN CC(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111311 385075514 /nfs/dbraw/zinc/07/55/14/385075514.db2.gz FJAYMCCNAWLPKY-VIFPVBQESA-N 0 3 211.280 2.838 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000129235354 385126226 /nfs/dbraw/zinc/12/62/26/385126226.db2.gz ZXFGXCFIRHLVKH-GFCCVEGCSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c([O-])c1 ZINC000189288451 385140881 /nfs/dbraw/zinc/14/08/81/385140881.db2.gz ADMCKNPSSWVNNO-UPJWGTAASA-N 0 3 249.354 2.512 20 10 BFCDHN CO[C@@](C)(C[NH2+]Cc1cc(C)ccc1[O-])C1CC1 ZINC000291076952 385193830 /nfs/dbraw/zinc/19/38/30/385193830.db2.gz TYGNMVRQQHZPMK-HNNXBMFYSA-N 0 3 249.354 2.605 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CC=C(C)C)c1 ZINC000191629663 385309851 /nfs/dbraw/zinc/30/98/51/385309851.db2.gz LUABEUGUNKKZCC-UHFFFAOYSA-N 0 3 235.327 2.847 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCCCO)c1 ZINC000192934106 385376857 /nfs/dbraw/zinc/37/68/57/385376857.db2.gz NODATBNPXZDPSD-LBPRGKRZSA-N 0 3 237.343 2.514 20 10 BFCDHN CCOC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179575472 385473384 /nfs/dbraw/zinc/47/33/84/385473384.db2.gz SBPBRMJFJBQKQY-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179575472 385473386 /nfs/dbraw/zinc/47/33/86/385473386.db2.gz SBPBRMJFJBQKQY-CYBMUJFWSA-N 0 3 249.354 2.641 20 10 BFCDHN C[C@@H]1SCC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC000179577083 385475535 /nfs/dbraw/zinc/47/55/35/385475535.db2.gz GLFGQHMLNMKVDH-QWRGUYRKSA-N 0 3 237.368 2.718 20 10 BFCDHN C[C@@H]1SCC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC000179577083 385475538 /nfs/dbraw/zinc/47/55/38/385475538.db2.gz GLFGQHMLNMKVDH-QWRGUYRKSA-N 0 3 237.368 2.718 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCSC[C@@H]2C)c1 ZINC000179665053 385481004 /nfs/dbraw/zinc/48/10/04/385481004.db2.gz HVRGLABKSXFMJD-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000179665053 385481007 /nfs/dbraw/zinc/48/10/07/385481007.db2.gz HVRGLABKSXFMJD-NSHDSACASA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCSC[C@H]2C)c1 ZINC000179665068 385482510 /nfs/dbraw/zinc/48/25/10/385482510.db2.gz HVRGLABKSXFMJD-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000179665068 385482511 /nfs/dbraw/zinc/48/25/11/385482511.db2.gz HVRGLABKSXFMJD-LLVKDONJSA-N 0 3 237.368 2.638 20 10 BFCDHN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccccc1[O-] ZINC000280902422 385617161 /nfs/dbraw/zinc/61/71/61/385617161.db2.gz FUVOQASDGKAWSU-YPMHNXCESA-N 0 3 249.354 2.594 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CCSC1)c1ccccc1[O-] ZINC000229562379 385633963 /nfs/dbraw/zinc/63/39/63/385633963.db2.gz SUSOWUVBSRDURM-JQWIXIFHSA-N 0 3 237.368 2.938 20 10 BFCDHN CCC[C@H](CNCc1ccc2c(c1)CCO2)OC ZINC000293542281 385633918 /nfs/dbraw/zinc/63/39/18/385633918.db2.gz AUEUXSLOMQXPGE-CQSZACIVSA-N 0 3 249.354 2.526 20 10 BFCDHN C[C@@H](NCCF)c1cc2c(cc1O)CCCC2 ZINC000281146707 385639639 /nfs/dbraw/zinc/63/96/39/385639639.db2.gz UYKRTWAUVGUFOZ-SNVBAGLBSA-N 0 3 237.318 2.891 20 10 BFCDHN CC[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])CCCO1 ZINC000281271062 385651978 /nfs/dbraw/zinc/65/19/78/385651978.db2.gz NTHUAFKMMRTBDA-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])CCCO1 ZINC000281271062 385651982 /nfs/dbraw/zinc/65/19/82/385651982.db2.gz NTHUAFKMMRTBDA-CQSZACIVSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000252807861 385662226 /nfs/dbraw/zinc/66/22/26/385662226.db2.gz JHKYFRKAUOYUQW-AGIUHOORSA-N 0 3 249.354 2.776 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c([O-])c1 ZINC000230669594 385747441 /nfs/dbraw/zinc/74/74/41/385747441.db2.gz XFJUCWSECZTYJL-WDEREUQCSA-N 0 3 245.326 2.836 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)c([O-])c1 ZINC000230669605 385748201 /nfs/dbraw/zinc/74/82/01/385748201.db2.gz XFJUCWSECZTYJL-MNOVXSKESA-N 0 3 245.326 2.836 20 10 BFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCOCC2)c1 ZINC000186234114 385748987 /nfs/dbraw/zinc/74/89/87/385748987.db2.gz XVDVWDVUTBBXMC-CHWSQXEVSA-N 0 3 249.354 2.920 20 10 BFCDHN COC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])C1CC1 ZINC000186153485 385749001 /nfs/dbraw/zinc/74/90/01/385749001.db2.gz MLTOBJXQLSVOIA-SMDDNHRTSA-N 0 3 249.354 2.776 20 10 BFCDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2[O-])C1 ZINC000285105713 385899762 /nfs/dbraw/zinc/89/97/62/385899762.db2.gz NSPFDLXTHULKIG-OKILXGFUSA-N 0 3 249.354 2.618 20 10 BFCDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2[O-])C1 ZINC000285105713 385899764 /nfs/dbraw/zinc/89/97/64/385899764.db2.gz NSPFDLXTHULKIG-OKILXGFUSA-N 0 3 249.354 2.618 20 10 BFCDHN CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000273571721 385865513 /nfs/dbraw/zinc/86/55/13/385865513.db2.gz KXNGZNPDXVYEQQ-NEPJUHHUSA-N 0 3 237.343 2.776 20 10 BFCDHN CO[C@H](C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000273571727 385865860 /nfs/dbraw/zinc/86/58/60/385865860.db2.gz KXNGZNPDXVYEQQ-VXGBXAGGSA-N 0 3 237.343 2.776 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCSCC2)c1 ZINC000273375828 385994775 /nfs/dbraw/zinc/99/47/75/385994775.db2.gz GPUVFEIZVBJREN-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCCSCC2)c1 ZINC000273375828 385994782 /nfs/dbraw/zinc/99/47/82/385994782.db2.gz GPUVFEIZVBJREN-UHFFFAOYSA-N 0 3 237.368 2.640 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CC2(C)C)c1 ZINC000263729199 386170566 /nfs/dbraw/zinc/17/05/66/386170566.db2.gz XOEDKAGBHCZVRA-ZDUSSCGKSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000287612319 386136494 /nfs/dbraw/zinc/13/64/94/386136494.db2.gz SNMHCSGCPRXONJ-RWMBFGLXSA-N 0 3 249.354 2.715 20 10 BFCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000290191995 386403048 /nfs/dbraw/zinc/40/30/48/386403048.db2.gz OIMCEVOMGOQBEY-WOPDTQHZSA-N 0 3 237.343 2.775 20 10 BFCDHN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000290191990 386403806 /nfs/dbraw/zinc/40/38/06/386403806.db2.gz OIMCEVOMGOQBEY-UTUOFQBUSA-N 0 3 237.343 2.775 20 10 BFCDHN CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000163213472 386503200 /nfs/dbraw/zinc/50/32/00/386503200.db2.gz VWMLSMAZELJVAJ-DZGCQCFKSA-N 0 3 249.354 2.685 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000278375683 386518106 /nfs/dbraw/zinc/51/81/06/386518106.db2.gz CCYIBHOMERBGBI-MBNYWOFBSA-N 0 3 249.354 2.776 20 10 BFCDHN C[C@]1(CCCO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000290643737 386462107 /nfs/dbraw/zinc/46/21/07/386462107.db2.gz YQLSDBNRPMCIAU-OAHLLOKOSA-N 0 3 249.354 2.519 20 10 BFCDHN C[C@]1(CCCO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000290643737 386462114 /nfs/dbraw/zinc/46/21/14/386462114.db2.gz YQLSDBNRPMCIAU-OAHLLOKOSA-N 0 3 249.354 2.519 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccccc1[O-] ZINC000228851640 386626395 /nfs/dbraw/zinc/62/63/95/386626395.db2.gz OVQWBYLTXNYZFZ-FPMFFAJLSA-N 0 3 249.354 2.592 20 10 BFCDHN CC[C@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000292115938 386618786 /nfs/dbraw/zinc/61/87/86/386618786.db2.gz QWKZMVILKUGIKX-ZDUSSCGKSA-N 0 3 219.328 2.993 20 10 BFCDHN CC[C@H]1CC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000292115938 386618789 /nfs/dbraw/zinc/61/87/89/386618789.db2.gz QWKZMVILKUGIKX-ZDUSSCGKSA-N 0 3 219.328 2.993 20 10 BFCDHN CC[C@@H]([NH2+]C1CCOCC1)c1ccc(C)cc1[O-] ZINC000279928049 386757761 /nfs/dbraw/zinc/75/77/61/386757761.db2.gz AMAQZWVYOPMACV-CQSZACIVSA-N 0 3 249.354 2.920 20 10 BFCDHN CC1(C)SC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000282836264 386761399 /nfs/dbraw/zinc/76/13/99/386761399.db2.gz OMOAJDXPTOVCCA-CYBMUJFWSA-N 0 3 249.379 2.605 20 10 BFCDHN CC[C@H]([NH2+][C@@H](C)CCO)c1ccc(C)cc1[O-] ZINC000280121779 386782422 /nfs/dbraw/zinc/78/24/22/386782422.db2.gz OHHIZXRIBRRMLA-AAEUAGOBSA-N 0 3 237.343 2.512 20 10 BFCDHN CC(C)(C)[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000280589401 386826300 /nfs/dbraw/zinc/82/63/00/386826300.db2.gz XIHCHINJZSDASI-AWEZNQCLSA-N 0 3 249.354 2.639 20 10 BFCDHN CCc1ccc(CNCc2ccccc2O)o1 ZINC000125406391 386843040 /nfs/dbraw/zinc/84/30/40/386843040.db2.gz IDNRXIQBYLNIMH-UHFFFAOYSA-N 0 3 231.295 2.837 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+]CC2(C)CCOCC2)c1 ZINC000227835041 387057402 /nfs/dbraw/zinc/05/74/02/387057402.db2.gz QJPFYEJNICGIBK-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000230670259 387269600 /nfs/dbraw/zinc/26/96/00/387269600.db2.gz PNQPUFCIMHOLDW-AVGNSLFASA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1[O-] ZINC000287185317 387380483 /nfs/dbraw/zinc/38/04/83/387380483.db2.gz VMSXPTZDJXOHIY-CQSZACIVSA-N 0 3 247.338 2.780 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+]CC2=CCCOC2)c([O-])c1 ZINC000287208153 387391723 /nfs/dbraw/zinc/39/17/23/387391723.db2.gz WTTCELBDQYIGEP-GFCCVEGCSA-N 0 3 247.338 2.698 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000273498336 387460951 /nfs/dbraw/zinc/46/09/51/387460951.db2.gz PNQPUFCIMHOLDW-FRRDWIJNSA-N 0 3 249.354 2.919 20 10 BFCDHN CCC[C@H](O)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000119241715 387552727 /nfs/dbraw/zinc/55/27/27/387552727.db2.gz MOOOZLOWLHOLDT-WCQYABFASA-N 0 3 237.343 2.594 20 10 BFCDHN CCOc1cccc(C[NH2+][C@H]2CC=CCC2)c1[O-] ZINC000080123673 387978938 /nfs/dbraw/zinc/97/89/38/387978938.db2.gz SKFBJXORXICQRV-ZDUSSCGKSA-N 0 3 247.338 2.989 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1[O-] ZINC000163973253 388116934 /nfs/dbraw/zinc/11/69/34/388116934.db2.gz CMHGRIPQVGLQHB-VWYCJHECSA-N 0 3 205.301 2.699 20 10 BFCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000295797271 388415037 /nfs/dbraw/zinc/41/50/37/388415037.db2.gz BWSHUUMOFNEQLP-CABZTGNLSA-N 0 3 217.312 2.768 20 10 BFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000371332468 388570743 /nfs/dbraw/zinc/57/07/43/388570743.db2.gz PQASVEZYRXPAGO-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc([O-])c(C[N@H+]2CCCOC(C)(C)C2)c1 ZINC000371332468 388570746 /nfs/dbraw/zinc/57/07/46/388570746.db2.gz PQASVEZYRXPAGO-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN COC1(C)CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000272377477 389030914 /nfs/dbraw/zinc/03/09/14/389030914.db2.gz QTLGPPJRHFUYEY-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C(C)C ZINC000272856635 389035756 /nfs/dbraw/zinc/03/57/56/389035756.db2.gz LZWWCLOYYQXRKJ-BXUZGUMPSA-N 0 3 237.343 2.714 20 10 BFCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000272856637 389035919 /nfs/dbraw/zinc/03/59/19/389035919.db2.gz LZWWCLOYYQXRKJ-FZMZJTMJSA-N 0 3 237.343 2.714 20 10 BFCDHN C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2[O-])CCO1 ZINC000273087565 397991452 /nfs/dbraw/zinc/99/14/52/397991452.db2.gz RZKYRNRKPWPVKX-CHWSQXEVSA-N 0 3 249.354 2.687 20 10 BFCDHN C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000277201821 398026777 /nfs/dbraw/zinc/02/67/77/398026777.db2.gz VRIWNMORYAONQV-ZETCQYMHSA-N 0 3 245.244 2.980 20 10 BFCDHN CC(C)SCC[N@H+](C)Cc1ccccc1[O-] ZINC000283054115 167323594 /nfs/dbraw/zinc/32/35/94/167323594.db2.gz JCWYDMWJVOMZHL-UHFFFAOYSA-N 0 3 239.384 2.966 20 10 BFCDHN CC(C)SCC[N@@H+](C)Cc1ccccc1[O-] ZINC000283054115 167323597 /nfs/dbraw/zinc/32/35/97/167323597.db2.gz JCWYDMWJVOMZHL-UHFFFAOYSA-N 0 3 239.384 2.966 20 10 BFCDHN CC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCCC1 ZINC000042880420 168062472 /nfs/dbraw/zinc/06/24/72/168062472.db2.gz BRFHMOBLNQKQRU-UHFFFAOYSA-N 0 3 249.310 2.543 20 10 BFCDHN CC[C@@H]([NH2+]CCOCC1CC1)c1ccccc1[O-] ZINC000223815007 170895823 /nfs/dbraw/zinc/89/58/23/170895823.db2.gz HTZIBHLSRNCXIC-CQSZACIVSA-N 0 3 249.354 2.860 20 10 BFCDHN CC[C@H](C)C[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132089136 171274339 /nfs/dbraw/zinc/27/43/39/171274339.db2.gz APARGWMHEFCSFC-NSHDSACASA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@H](C)C[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132089136 171274340 /nfs/dbraw/zinc/27/43/40/171274340.db2.gz APARGWMHEFCSFC-NSHDSACASA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295853779 171348454 /nfs/dbraw/zinc/34/84/54/171348454.db2.gz GGHYAUGODOSSSN-ONGXEEELSA-N 0 3 205.301 2.768 20 10 BFCDHN CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000042551928 171365224 /nfs/dbraw/zinc/36/52/24/171365224.db2.gz QNXVARCUFHFBEV-WDEREUQCSA-N 0 3 207.317 2.916 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1[O-] ZINC000156207374 171533041 /nfs/dbraw/zinc/53/30/41/171533041.db2.gz XVOLAHBQOYLHRC-AWEZNQCLSA-N 0 3 244.338 2.972 20 10 BFCDHN COCCC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000230863069 174144224 /nfs/dbraw/zinc/14/42/24/174144224.db2.gz ZYYGYWIOHAOYEE-UHFFFAOYSA-N 0 3 237.343 2.545 20 10 BFCDHN COCCC1(C)C[NH+](Cc2cc(C)ccc2[O-])C1 ZINC000297473831 174153200 /nfs/dbraw/zinc/15/32/00/174153200.db2.gz SSABMJCDLYDHLU-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN COCCC1(C)CN(Cc2cc(C)ccc2O)C1 ZINC000297473831 174153202 /nfs/dbraw/zinc/15/32/02/174153202.db2.gz SSABMJCDLYDHLU-UHFFFAOYSA-N 0 3 249.354 2.559 20 10 BFCDHN COCCC1(C[NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000224910966 174156045 /nfs/dbraw/zinc/15/60/45/174156045.db2.gz WQAXFFGGXCEGNS-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN COCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000068960640 174280401 /nfs/dbraw/zinc/28/04/01/174280401.db2.gz CLZUPGYUIPKRRR-UHFFFAOYSA-N 0 3 245.322 2.624 20 10 BFCDHN COCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000068960640 174280402 /nfs/dbraw/zinc/28/04/02/174280402.db2.gz CLZUPGYUIPKRRR-UHFFFAOYSA-N 0 3 245.322 2.624 20 10 BFCDHN COc1ccc(CNCCOC(C)C)cc1C ZINC000168956754 175106987 /nfs/dbraw/zinc/10/69/87/175106987.db2.gz CASXFWBQZMCIAU-UHFFFAOYSA-N 0 3 237.343 2.518 20 10 BFCDHN COc1ccc([O-])c(C[NH2+]C23CCC(CC2)C3)c1 ZINC000366681200 175157106 /nfs/dbraw/zinc/15/71/06/175157106.db2.gz QHGBLMUQHVNINM-UHFFFAOYSA-N 0 3 247.338 2.823 20 10 BFCDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000132232558 175157622 /nfs/dbraw/zinc/15/76/22/175157622.db2.gz PHYQBIJYAFEUBR-NSHDSACASA-N 0 3 237.343 2.877 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000132232558 175157623 /nfs/dbraw/zinc/15/76/23/175157623.db2.gz PHYQBIJYAFEUBR-NSHDSACASA-N 0 3 237.343 2.877 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000376831510 175157751 /nfs/dbraw/zinc/15/77/51/175157751.db2.gz JOMVFMSQXQRQIG-GFCCVEGCSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000376831510 175157753 /nfs/dbraw/zinc/15/77/53/175157753.db2.gz JOMVFMSQXQRQIG-GFCCVEGCSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC2(C)C)c1 ZINC000045115690 175159960 /nfs/dbraw/zinc/15/99/60/175159960.db2.gz JIHNBVHNFVQAIZ-RNCFNFMXSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1ccc(O)c([C@H](C)NCc2ccco2)c1 ZINC000022144295 175159994 /nfs/dbraw/zinc/15/99/94/175159994.db2.gz LQQMWDIYRPHTTI-JTQLQIEISA-N 0 3 247.294 2.845 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCCC2)c1 ZINC000019883525 175160128 /nfs/dbraw/zinc/16/01/28/175160128.db2.gz XNKJMWPQSXIYAV-SNVBAGLBSA-N 0 3 235.327 2.994 20 10 BFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CC(C)C2)c1 ZINC000168838014 175160185 /nfs/dbraw/zinc/16/01/85/175160185.db2.gz LRBRKBHTHRYFIX-HSOILSAZSA-N 0 3 235.327 2.850 20 10 BFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000168740061 175160663 /nfs/dbraw/zinc/16/06/63/175160663.db2.gz JESXEQCFGXKQCX-GARJFASQSA-N 0 3 235.327 2.707 20 10 BFCDHN COc1cccc(C[N@@H+]2CCC=C(C)C2)c1[O-] ZINC000281833303 175257305 /nfs/dbraw/zinc/25/73/05/175257305.db2.gz QAMHUJNAZADFDF-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc(C[N@H+]2CCC=C(C)C2)c1[O-] ZINC000281833303 175257306 /nfs/dbraw/zinc/25/73/06/175257306.db2.gz QAMHUJNAZADFDF-UHFFFAOYSA-N 0 3 233.311 2.553 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000093480915 175259549 /nfs/dbraw/zinc/25/95/49/175259549.db2.gz GTMJNDPMFJMEMH-NEPJUHHUSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000093480915 175259551 /nfs/dbraw/zinc/25/95/51/175259551.db2.gz GTMJNDPMFJMEMH-NEPJUHHUSA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc(C[NH2+]CC(C)(C)C)c1[O-] ZINC000040492499 175263005 /nfs/dbraw/zinc/26/30/05/175263005.db2.gz UKGJUOCKYYLJSL-UHFFFAOYSA-N 0 3 223.316 2.537 20 10 BFCDHN COc1cccc(C[NH2+]CC2CCCC2)c1[O-] ZINC000037258055 175263755 /nfs/dbraw/zinc/26/37/55/175263755.db2.gz NHLCEJCLAWNBRG-UHFFFAOYSA-N 0 3 235.327 2.681 20 10 BFCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000179585302 176176185 /nfs/dbraw/zinc/17/61/85/176176185.db2.gz SUBFVLNMYVJOIA-GHMZBOCLSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000179585302 176176186 /nfs/dbraw/zinc/17/61/86/176176186.db2.gz SUBFVLNMYVJOIA-GHMZBOCLSA-N 0 3 205.301 2.623 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1[O-] ZINC000183564781 176887554 /nfs/dbraw/zinc/88/75/54/176887554.db2.gz IJKAPYZBFPVDCX-RYUDHWBXSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179866593 177100109 /nfs/dbraw/zinc/10/01/09/177100109.db2.gz RVDKFHICJROUJG-JTQLQIEISA-N 0 3 223.291 2.763 20 10 BFCDHN C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179866593 177100111 /nfs/dbraw/zinc/10/01/11/177100111.db2.gz RVDKFHICJROUJG-JTQLQIEISA-N 0 3 223.291 2.763 20 10 BFCDHN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180254550 177163491 /nfs/dbraw/zinc/16/34/91/177163491.db2.gz WWCPRRXEHZUZKA-VHSXEESVSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180254550 177163493 /nfs/dbraw/zinc/16/34/93/177163493.db2.gz WWCPRRXEHZUZKA-VHSXEESVSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@H]1CCSCC[N@@H+]1Cc1ccccc1[O-] ZINC000191809990 177179861 /nfs/dbraw/zinc/17/98/61/177179861.db2.gz LTRRPPVNTBCNDW-NSHDSACASA-N 0 3 237.368 2.720 20 10 BFCDHN C[C@H]1CCSCC[N@H+]1Cc1ccccc1[O-] ZINC000191809990 177179862 /nfs/dbraw/zinc/17/98/62/177179862.db2.gz LTRRPPVNTBCNDW-NSHDSACASA-N 0 3 237.368 2.720 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1C ZINC000853576873 588749318 /nfs/dbraw/zinc/74/93/18/588749318.db2.gz GQZJKWJGSGFFSI-CHWSQXEVSA-N 0 3 231.339 2.851 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1C ZINC000853576873 588749319 /nfs/dbraw/zinc/74/93/19/588749319.db2.gz GQZJKWJGSGFFSI-CHWSQXEVSA-N 0 3 231.339 2.851 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000846169041 582651697 /nfs/dbraw/zinc/65/16/97/582651697.db2.gz FJOPMQAXHZJCLG-VHSXEESVSA-N 0 3 241.306 2.800 20 10 BFCDHN COCC[C@@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840835094 582668740 /nfs/dbraw/zinc/66/87/40/582668740.db2.gz GQQCHLDFPPPNHA-DGCLKSJQSA-N 0 3 249.354 2.642 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]CC2CC(C)C2)c1 ZINC000856810993 588878818 /nfs/dbraw/zinc/87/88/18/588878818.db2.gz FFVRHUQBSWXOQZ-UHFFFAOYSA-N 0 3 249.354 2.927 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CC1CC(C)C1 ZINC000856811079 588878822 /nfs/dbraw/zinc/87/88/22/588878822.db2.gz IXIFUYJFEFDRHY-UHFFFAOYSA-N 0 3 235.327 2.537 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1CC(CC2CC2)C1 ZINC000857066806 588885449 /nfs/dbraw/zinc/88/54/49/588885449.db2.gz WFSXZUYNORVVIL-UHFFFAOYSA-N 0 3 235.302 2.763 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CC2(C)CC2)c1[O-] ZINC000894320791 583421468 /nfs/dbraw/zinc/42/14/68/583421468.db2.gz RLALYFMDRGRQFG-UHFFFAOYSA-N 0 3 235.327 2.599 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000894862044 583535386 /nfs/dbraw/zinc/53/53/86/583535386.db2.gz SJKJLKCYNFNQQX-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000894862044 583535388 /nfs/dbraw/zinc/53/53/88/583535388.db2.gz SJKJLKCYNFNQQX-WDEREUQCSA-N 0 3 205.301 2.541 20 10 BFCDHN COc1cc(C)cc(CN2C[C@H](C)[C@H]2C)c1O ZINC000894862468 583536989 /nfs/dbraw/zinc/53/69/89/583536989.db2.gz YXYGPIVCGGEFCZ-WDEREUQCSA-N 0 3 235.327 2.549 20 10 BFCDHN COc1cc(C)cc(CN2C[C@@H](C)[C@@H]2C)c1O ZINC000894862466 583537202 /nfs/dbraw/zinc/53/72/02/583537202.db2.gz YXYGPIVCGGEFCZ-MNOVXSKESA-N 0 3 235.327 2.549 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000020206523 583616462 /nfs/dbraw/zinc/61/64/62/583616462.db2.gz MDLNQWOAZZOHPM-SUNKGSAMSA-N 0 3 235.327 2.610 20 10 BFCDHN COc1cc(C)cc(C[NH2+]CC2CC(C)C2)c1[O-] ZINC000895375460 583662434 /nfs/dbraw/zinc/66/24/34/583662434.db2.gz BKUIKSLZIWJDDU-UHFFFAOYSA-N 0 3 249.354 2.845 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000895546252 583690221 /nfs/dbraw/zinc/69/02/21/583690221.db2.gz YUTHTPVWNBSBOQ-LBPRGKRZSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CF)C1 ZINC000895546252 583690223 /nfs/dbraw/zinc/69/02/23/583690223.db2.gz YUTHTPVWNBSBOQ-LBPRGKRZSA-N 0 3 237.318 2.882 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)COC(C)C)c1 ZINC000858239102 588940257 /nfs/dbraw/zinc/94/02/57/588940257.db2.gz JCPNLWCCTDTCFE-LBPRGKRZSA-N 0 3 237.343 2.604 20 10 BFCDHN CSCC(C)(C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000898305878 584109311 /nfs/dbraw/zinc/10/93/11/584109311.db2.gz WPAHPSKHDMYJJF-UHFFFAOYSA-N 0 3 239.384 2.932 20 10 BFCDHN Cc1cc(N(C)C)ccc1CNC/C=C/Cl ZINC000898430024 584134638 /nfs/dbraw/zinc/13/46/38/584134638.db2.gz SPBBGZHDZCTXHN-QPJJXVBHSA-N 0 3 238.762 2.903 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CC=CCC2)c([O-])c1 ZINC000877056795 584889297 /nfs/dbraw/zinc/88/92/97/584889297.db2.gz XATLEMACIKHIEK-CYBMUJFWSA-N 0 3 217.312 2.899 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@H]2CCCS2)c([O-])c1 ZINC000877083849 584889854 /nfs/dbraw/zinc/88/98/54/584889854.db2.gz GFGWTGARLKLOOH-GFCCVEGCSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc(C[NH2+]C2CC=CC2)c([O-])c1 ZINC000877095162 584889885 /nfs/dbraw/zinc/88/98/85/584889885.db2.gz XJZGZTVLVNLDKD-UHFFFAOYSA-N 0 3 203.285 2.509 20 10 BFCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC12CCCC2 ZINC000758527296 584905943 /nfs/dbraw/zinc/90/59/43/584905943.db2.gz VQGKRETUELZBCE-AWEZNQCLSA-N 0 3 247.338 2.823 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000840818100 585090236 /nfs/dbraw/zinc/09/02/36/585090236.db2.gz NXFPLFZRCJRVCR-SUHUHFCYSA-N 0 3 235.327 2.610 20 10 BFCDHN COc1cccc(C[NH+]2CC(C(C)(C)C)C2)c1[O-] ZINC000839144759 585092240 /nfs/dbraw/zinc/09/22/40/585092240.db2.gz KGODVYDKQDKMST-UHFFFAOYSA-N 0 3 249.354 2.879 20 10 BFCDHN Cc1cc(O)c(CN2CC3(CC(F)C3)C2)cc1C ZINC000839141090 585094369 /nfs/dbraw/zinc/09/43/69/585094369.db2.gz YEYFHAFBACGZSM-UHFFFAOYSA-N 0 3 249.329 2.943 20 10 BFCDHN COc1ccc([O-])c(C[NH+]2CC(C(C)(C)C)C2)c1 ZINC000839144000 585094969 /nfs/dbraw/zinc/09/49/69/585094969.db2.gz DVKMOPUPKLCGSL-UHFFFAOYSA-N 0 3 249.354 2.879 20 10 BFCDHN CCC1(C)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000839143630 585094979 /nfs/dbraw/zinc/09/49/79/585094979.db2.gz RFMITAKSIDNTFM-UHFFFAOYSA-N 0 3 232.371 2.985 20 10 BFCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccncc1 ZINC000749298934 585201127 /nfs/dbraw/zinc/20/11/27/585201127.db2.gz ZAPMCRJDPITQGT-LBPRGKRZSA-N 0 3 242.322 2.681 20 10 BFCDHN C[C@H]1C[NH+](Cc2cc3c(cc2[O-])CCC3)C[C@@H]1C ZINC000751929848 585239713 /nfs/dbraw/zinc/23/97/13/585239713.db2.gz SCEVFHHEVMZIAV-RYUDHWBXSA-N 0 3 245.366 2.969 20 10 BFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)CC2CC2)c1 ZINC000756769927 585322948 /nfs/dbraw/zinc/32/29/48/585322948.db2.gz PXKYEAXVNGPHIU-AAEUAGOBSA-N 0 3 249.354 2.512 20 10 BFCDHN CCOc1ccc(C[N@H+](C)C(C)C)c([O-])c1 ZINC000768140676 585532832 /nfs/dbraw/zinc/53/28/32/585532832.db2.gz GXBYXNOJQIBVFF-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN CCOc1ccc(C[N@@H+](C)C(C)C)c([O-])c1 ZINC000768140676 585532833 /nfs/dbraw/zinc/53/28/33/585532833.db2.gz GXBYXNOJQIBVFF-UHFFFAOYSA-N 0 3 223.316 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)C1CC1 ZINC000768420400 585538331 /nfs/dbraw/zinc/53/83/31/585538331.db2.gz DZARODQRYUESNR-JTQLQIEISA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000768420400 585538332 /nfs/dbraw/zinc/53/83/32/585538332.db2.gz DZARODQRYUESNR-JTQLQIEISA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cc(C[N@H+](C)C2CCC2)c([O-])cc1C ZINC000768465753 585538961 /nfs/dbraw/zinc/53/89/61/585538961.db2.gz KLVPLACRLMPCIG-UHFFFAOYSA-N 0 3 235.327 2.694 20 10 BFCDHN COc1cc(C[N@@H+](C)C2CCC2)c([O-])cc1C ZINC000768465753 585538962 /nfs/dbraw/zinc/53/89/62/585538962.db2.gz KLVPLACRLMPCIG-UHFFFAOYSA-N 0 3 235.327 2.694 20 10 BFCDHN COc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c([O-])cc1C ZINC000768465757 585539027 /nfs/dbraw/zinc/53/90/27/585539027.db2.gz KQUHCVXAKBDWFD-RYUDHWBXSA-N 0 3 249.354 2.797 20 10 BFCDHN CC[C@H](C)C[N@H+](C)Cc1c([O-])cccc1OC ZINC000768766281 585542860 /nfs/dbraw/zinc/54/28/60/585542860.db2.gz IORCGCWTMGCZJN-NSHDSACASA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@H](C)C[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768766281 585542861 /nfs/dbraw/zinc/54/28/61/585542861.db2.gz IORCGCWTMGCZJN-NSHDSACASA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)CC(C)(C)C ZINC000768938176 585546524 /nfs/dbraw/zinc/54/65/24/585546524.db2.gz WKCMCLPVQBYARF-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)(C)C ZINC000768938176 585546525 /nfs/dbraw/zinc/54/65/25/585546525.db2.gz WKCMCLPVQBYARF-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000769471487 585557871 /nfs/dbraw/zinc/55/78/71/585557871.db2.gz UMEHNHNGVYVIRA-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000769471487 585557872 /nfs/dbraw/zinc/55/78/72/585557872.db2.gz UMEHNHNGVYVIRA-QWRGUYRKSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000769471485 585557893 /nfs/dbraw/zinc/55/78/93/585557893.db2.gz UMEHNHNGVYVIRA-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000769471485 585557894 /nfs/dbraw/zinc/55/78/94/585557894.db2.gz UMEHNHNGVYVIRA-GHMZBOCLSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000769514411 585558280 /nfs/dbraw/zinc/55/82/80/585558280.db2.gz KRONBMUXAMESPF-LBPRGKRZSA-N 0 3 247.338 2.633 20 10 BFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769514411 585558281 /nfs/dbraw/zinc/55/82/81/585558281.db2.gz KRONBMUXAMESPF-LBPRGKRZSA-N 0 3 247.338 2.633 20 10 BFCDHN CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1[O-] ZINC000775527607 585678959 /nfs/dbraw/zinc/67/89/59/585678959.db2.gz RSXLAHDXXMMYTC-ZIAGYGMSSA-N 0 3 249.354 2.594 20 10 BFCDHN Cc1cccc(CN(C)Cc2ccc[nH]2)c1O ZINC000775734507 585683874 /nfs/dbraw/zinc/68/38/74/585683874.db2.gz RFWVWLDEYUQNDP-UHFFFAOYSA-N 0 3 230.311 2.661 20 10 BFCDHN Cc1cccc(C[N@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775763421 585683995 /nfs/dbraw/zinc/68/39/95/585683995.db2.gz GCJNKTPXHRGGQU-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc(C[N@@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775763421 585683996 /nfs/dbraw/zinc/68/39/96/585683996.db2.gz GCJNKTPXHRGGQU-CYBMUJFWSA-N 0 3 219.328 2.931 20 10 BFCDHN COc1cccc(C[N@@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775762606 585684083 /nfs/dbraw/zinc/68/40/83/585684083.db2.gz BMLHKUCVGOXCPV-GFCCVEGCSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1cccc(C[N@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775762606 585684084 /nfs/dbraw/zinc/68/40/84/585684084.db2.gz BMLHKUCVGOXCPV-GFCCVEGCSA-N 0 3 235.327 2.631 20 10 BFCDHN COc1ccc(O)c(CNCc2ccoc2C)c1 ZINC000776039073 585689569 /nfs/dbraw/zinc/68/95/69/585689569.db2.gz OWJUHRWMKLXPNJ-UHFFFAOYSA-N 0 3 247.294 2.592 20 10 BFCDHN CC(C)[C@@H]1CC[N@@H+]1Cc1ccccc1[O-] ZINC000779046298 585744661 /nfs/dbraw/zinc/74/46/61/585744661.db2.gz RZYKELKFLZUHJN-LBPRGKRZSA-N 0 3 205.301 2.623 20 10 BFCDHN CC(C)[C@@H]1CC[N@H+]1Cc1ccccc1[O-] ZINC000779046298 585744662 /nfs/dbraw/zinc/74/46/62/585744662.db2.gz RZYKELKFLZUHJN-LBPRGKRZSA-N 0 3 205.301 2.623 20 10 BFCDHN CC(C)C1C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC000793187990 586013384 /nfs/dbraw/zinc/01/33/84/586013384.db2.gz BBOHMSZCSQKAHP-UHFFFAOYSA-N 0 3 223.291 2.619 20 10 BFCDHN CCOc1ccc([O-])c(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000793220053 586014381 /nfs/dbraw/zinc/01/43/81/586014381.db2.gz JMGPVUDSTDRPAP-GHMZBOCLSA-N 0 3 235.327 2.774 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)cc1C ZINC000793229300 586014750 /nfs/dbraw/zinc/01/47/50/586014750.db2.gz VVYBQUCRXKRXCF-TXEJJXNPSA-N 0 3 219.328 2.992 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1C ZINC000793229300 586014751 /nfs/dbraw/zinc/01/47/51/586014751.db2.gz VVYBQUCRXKRXCF-TXEJJXNPSA-N 0 3 219.328 2.992 20 10 BFCDHN C[C@H](NCc1cccnc1F)c1ccccc1O ZINC000794833631 586049774 /nfs/dbraw/zinc/04/97/74/586049774.db2.gz HFPWRLNJHWROFG-JTQLQIEISA-N 0 3 246.285 2.777 20 10 BFCDHN COc1ccc([O-])c(C[N@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000797605044 586129525 /nfs/dbraw/zinc/12/95/25/586129525.db2.gz LJEXRALMQUURIF-NSHDSACASA-N 0 3 247.338 2.799 20 10 BFCDHN COc1ccc([O-])c(C[N@@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000797605044 586129526 /nfs/dbraw/zinc/12/95/26/586129526.db2.gz LJEXRALMQUURIF-NSHDSACASA-N 0 3 247.338 2.799 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000797905177 586133803 /nfs/dbraw/zinc/13/38/03/586133803.db2.gz IKRBSZIPLMNFDC-ZIAGYGMSSA-N 0 3 231.339 2.979 20 10 BFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000798090035 586136795 /nfs/dbraw/zinc/13/67/95/586136795.db2.gz AHRDTOHLXQFIQJ-ZIAGYGMSSA-N 0 3 247.338 2.679 20 10 BFCDHN CN(C)c1ccc(CN2CC(C3CC3)C2)cc1F ZINC000812775035 586584054 /nfs/dbraw/zinc/58/40/54/586584054.db2.gz CTMCHFDQMPATKS-UHFFFAOYSA-N 0 3 248.345 2.734 20 10 BFCDHN CN(C)c1ccc(CN2CC(C3CC3)C2)cc1 ZINC000812775868 586584071 /nfs/dbraw/zinc/58/40/71/586584071.db2.gz PDNCWMKBXCBISB-UHFFFAOYSA-N 0 3 230.355 2.594 20 10 BFCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@H]2C)cc1C ZINC000816647586 586748002 /nfs/dbraw/zinc/74/80/02/586748002.db2.gz VGXBTDRJADXIDR-VXGBXAGGSA-N 0 3 219.328 2.849 20 10 BFCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1C ZINC000816647586 586748003 /nfs/dbraw/zinc/74/80/03/586748003.db2.gz VGXBTDRJADXIDR-VXGBXAGGSA-N 0 3 219.328 2.849 20 10 BFCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000816647432 586748796 /nfs/dbraw/zinc/74/87/96/586748796.db2.gz SBKUFLKQAFWGQH-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000816647432 586748799 /nfs/dbraw/zinc/74/87/99/586748799.db2.gz SBKUFLKQAFWGQH-MNOVXSKESA-N 0 3 235.327 2.631 20 10 BFCDHN C[C@H]([NH2+]CCCC1(O)CCC1)c1ccccc1[O-] ZINC000817585509 586812640 /nfs/dbraw/zinc/81/26/40/586812640.db2.gz FOGOZCITCBPSMQ-LBPRGKRZSA-N 0 3 249.354 2.738 20 10 BFCDHN C[C@H](NCCc1ccc(N)cc1)c1ccoc1 ZINC000817956201 586849977 /nfs/dbraw/zinc/84/99/77/586849977.db2.gz SXZZYXSFLLDMQY-NSHDSACASA-N 0 3 230.311 2.755 20 10 BFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2CC)c1 ZINC000824783277 587287504 /nfs/dbraw/zinc/28/75/04/587287504.db2.gz ILKZRVRTKFTLTQ-NEPJUHHUSA-N 0 3 249.354 2.927 20 10 BFCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CC1(C)C ZINC000827942363 587411630 /nfs/dbraw/zinc/41/16/30/587411630.db2.gz PEIOMSSYDPXJRJ-NSHDSACASA-N 0 3 249.354 2.879 20 10 BFCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000827942363 587411632 /nfs/dbraw/zinc/41/16/32/587411632.db2.gz PEIOMSSYDPXJRJ-NSHDSACASA-N 0 3 249.354 2.879 20 10 BFCDHN CCC1([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000834874509 587768954 /nfs/dbraw/zinc/76/89/54/587768954.db2.gz DZMKDLPWXGJHTG-SNVBAGLBSA-N 0 3 205.301 2.985 20 10 BFCDHN CN(C)c1ccc(/C=C\CN(C)C2CC2)cc1 ZINC000835026310 587779213 /nfs/dbraw/zinc/77/92/13/587779213.db2.gz UQKDIXJQWHWBKX-PLNGDYQASA-N 0 3 230.355 2.860 20 10 BFCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000840820327 587923194 /nfs/dbraw/zinc/92/31/94/587923194.db2.gz HZXPBELTXYELIK-KYOSRNDESA-N 0 3 249.354 2.919 20 10 BFCDHN CO[C@@](C)([C@@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000840961113 587932326 /nfs/dbraw/zinc/93/23/26/587932326.db2.gz QQXVNVUDZKMBJW-ABAIWWIYSA-N 0 3 249.354 2.685 20 10 BFCDHN C[C@H]([NH2+]CCc1cscn1)c1ccccc1[O-] ZINC000104449823 587972506 /nfs/dbraw/zinc/97/25/06/587972506.db2.gz QWXGWTILPDHJOY-JTQLQIEISA-N 0 3 248.351 2.742 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000842930120 588072151 /nfs/dbraw/zinc/07/21/51/588072151.db2.gz VDELEOGAAPKUGB-SCRDCRAPSA-N 0 3 249.354 2.919 20 10 BFCDHN COCC1(CC[NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000843419584 588107384 /nfs/dbraw/zinc/10/73/84/588107384.db2.gz ZGJACGLAYBRVLP-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN COc1cccc([C@@H](C)[NH2+]C2CCCC2)c1[O-] ZINC000846137347 588258325 /nfs/dbraw/zinc/25/83/25/588258325.db2.gz OASWAIQQTZIBLW-SNVBAGLBSA-N 0 3 235.327 2.994 20 10 BFCDHN CCCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846136725 588258485 /nfs/dbraw/zinc/25/84/85/588258485.db2.gz JYFJJSNDSPBJMJ-JTQLQIEISA-N 0 3 223.316 2.852 20 10 BFCDHN CCCC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846136726 588258522 /nfs/dbraw/zinc/25/85/22/588258522.db2.gz JYFJJSNDSPBJMJ-SNVBAGLBSA-N 0 3 223.316 2.852 20 10 BFCDHN COc1cccc([C@@H](C)NCc2ccco2)c1O ZINC000846138318 588258552 /nfs/dbraw/zinc/25/85/52/588258552.db2.gz VPXNYNNSVHSTEM-SNVBAGLBSA-N 0 3 247.294 2.845 20 10 BFCDHN CCC1([NH2+][C@@H](C)c2cccc(OC)c2[O-])CC1 ZINC000846169013 588259085 /nfs/dbraw/zinc/25/90/85/588259085.db2.gz DWUWPELJPUTAHQ-JTQLQIEISA-N 0 3 235.327 2.994 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000846175235 588259168 /nfs/dbraw/zinc/25/91/68/588259168.db2.gz YAUMHHCTHKDHTE-JOYOIKCWSA-N 0 3 233.311 2.604 20 10 BFCDHN CCc1cccc(C[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000848897401 588417498 /nfs/dbraw/zinc/41/74/98/588417498.db2.gz ICTDCRFWHOTXAH-UHFFFAOYSA-N 0 3 244.338 2.583 20 10 BFCDHN CCc1cccc(C[N@@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000848916436 588420095 /nfs/dbraw/zinc/42/00/95/588420095.db2.gz UEVQCUWUHZILIA-CQSZACIVSA-N 0 3 231.339 2.939 20 10 BFCDHN CCc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000848916436 588420096 /nfs/dbraw/zinc/42/00/96/588420096.db2.gz UEVQCUWUHZILIA-CQSZACIVSA-N 0 3 231.339 2.939 20 10 BFCDHN CCc1cccc(C[NH+]2CC(CC)C2)c1[O-] ZINC000848914617 588420365 /nfs/dbraw/zinc/42/03/65/588420365.db2.gz LUZKDCZWPCBGOP-UHFFFAOYSA-N 0 3 219.328 2.796 20 10 BFCDHN CC[C@H](COCC1CC1)[NH2+]Cc1ccccc1[O-] ZINC000850348935 588537872 /nfs/dbraw/zinc/53/78/72/588537872.db2.gz ATOKYCMQXFVAJZ-CQSZACIVSA-N 0 3 249.354 2.687 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCCc1ccco1 ZINC000850408029 588544348 /nfs/dbraw/zinc/54/43/48/588544348.db2.gz VQWKBWKAIVWTLY-UHFFFAOYSA-N 0 3 231.295 2.708 20 10 BFCDHN COc1cccc([C@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850508860 588553806 /nfs/dbraw/zinc/55/38/06/588553806.db2.gz PDISZHYBCIZRAR-QWRGUYRKSA-N 0 3 233.311 2.770 20 10 BFCDHN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000850513368 588555942 /nfs/dbraw/zinc/55/59/42/588555942.db2.gz GTMSGGOYZGULPL-SRVKXCTJSA-N 0 3 235.327 2.610 20 10 BFCDHN CN(C)c1ccc(/C=C/CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862442867 589213524 /nfs/dbraw/zinc/21/35/24/589213524.db2.gz IPNVPDUOLLVWHZ-MRINAFOASA-N 0 3 242.366 2.718 20 10 BFCDHN CN(C)c1ccc(/C=C\CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862442865 589213593 /nfs/dbraw/zinc/21/35/93/589213593.db2.gz IPNVPDUOLLVWHZ-JQBDECOXSA-N 0 3 242.366 2.718 20 10 BFCDHN CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000862478666 589216321 /nfs/dbraw/zinc/21/63/21/589216321.db2.gz LVBRFPXERZAUNW-AAEUAGOBSA-N 0 3 219.328 2.979 20 10 BFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1C ZINC000865690285 589456062 /nfs/dbraw/zinc/45/60/62/589456062.db2.gz DUNGLZUPYOFAQE-YRGRVCCFSA-N 0 3 249.354 2.665 20 10 BFCDHN Cc1ccc([O-])c(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000865858153 589465376 /nfs/dbraw/zinc/46/53/76/589465376.db2.gz CLRFZUIUERNMLC-CABCVRRESA-N 0 3 247.338 2.502 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C)cc1[O-] ZINC000866416573 589491905 /nfs/dbraw/zinc/49/19/05/589491905.db2.gz XZJMEWCVSNXQGE-SCRDCRAPSA-N 0 3 249.354 2.512 20 10 BFCDHN CCO[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000124496810 590033299 /nfs/dbraw/zinc/03/32/99/590033299.db2.gz GNYDKHDZTLVVKI-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CCO[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000124496810 590033303 /nfs/dbraw/zinc/03/33/03/590033303.db2.gz GNYDKHDZTLVVKI-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN C[C@H](NCc1ccccc1O)c1ccccn1 ZINC000020123303 590076481 /nfs/dbraw/zinc/07/64/81/590076481.db2.gz AZQUSCMCEZUPJZ-NSHDSACASA-N 0 3 228.295 2.638 20 10 BFCDHN CCO[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512129 590206017 /nfs/dbraw/zinc/20/60/17/590206017.db2.gz GSCLZNAOSVOARC-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN CCO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512129 590206018 /nfs/dbraw/zinc/20/60/18/590206018.db2.gz GSCLZNAOSVOARC-AWEZNQCLSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)c([O-])c1 ZINC000876589307 590217181 /nfs/dbraw/zinc/21/71/81/590217181.db2.gz JRLIAXVKQQSWGT-NSHDSACASA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@H+](C)[C@@H](C)C2CC2)c([O-])c1 ZINC000876589307 590217182 /nfs/dbraw/zinc/21/71/82/590217182.db2.gz JRLIAXVKQQSWGT-NSHDSACASA-N 0 3 219.328 2.931 20 10 BFCDHN CCOC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876598185 590220181 /nfs/dbraw/zinc/22/01/81/590220181.db2.gz WCJYREBJKSJLRU-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C)C1 ZINC000876636496 590223905 /nfs/dbraw/zinc/22/39/05/590223905.db2.gz IKHZWEDRHOIHSK-JTQLQIEISA-N 0 3 205.301 2.542 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C)C1 ZINC000876636496 590223907 /nfs/dbraw/zinc/22/39/07/590223907.db2.gz IKHZWEDRHOIHSK-JTQLQIEISA-N 0 3 205.301 2.542 20 10 BFCDHN COC[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876725508 590233584 /nfs/dbraw/zinc/23/35/84/590233584.db2.gz LTBVEMZRUYFMPE-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN COC[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876725508 590233587 /nfs/dbraw/zinc/23/35/87/590233587.db2.gz LTBVEMZRUYFMPE-ZDUSSCGKSA-N 0 3 249.354 2.559 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC2(C)C)c([O-])c1 ZINC000876743566 590236406 /nfs/dbraw/zinc/23/64/06/590236406.db2.gz IGNNABWQVZKOAK-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC2(C)C)c([O-])c1 ZINC000876743566 590236408 /nfs/dbraw/zinc/23/64/08/590236408.db2.gz IGNNABWQVZKOAK-UHFFFAOYSA-N 0 3 205.301 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000876747828 590237279 /nfs/dbraw/zinc/23/72/79/590237279.db2.gz NRFKWGTWLZAVSJ-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000876747828 590237280 /nfs/dbraw/zinc/23/72/80/590237280.db2.gz NRFKWGTWLZAVSJ-TXEJJXNPSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000876747827 590237537 /nfs/dbraw/zinc/23/75/37/590237537.db2.gz NRFKWGTWLZAVSJ-RYUDHWBXSA-N 0 3 219.328 2.788 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC000876752656 590237888 /nfs/dbraw/zinc/23/78/88/590237888.db2.gz VYDJKMUJJMWMSK-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC000876752656 590237890 /nfs/dbraw/zinc/23/78/90/590237890.db2.gz VYDJKMUJJMWMSK-UHFFFAOYSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H]2C(C)C)c([O-])c1 ZINC000876879890 590253121 /nfs/dbraw/zinc/25/31/21/590253121.db2.gz WQOFVPSVRFQVNS-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H]2C(C)C)c([O-])c1 ZINC000876879890 590253122 /nfs/dbraw/zinc/25/31/22/590253122.db2.gz WQOFVPSVRFQVNS-ZDUSSCGKSA-N 0 3 219.328 2.931 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]C1CCSCC1 ZINC000877023088 590270409 /nfs/dbraw/zinc/27/04/09/590270409.db2.gz DABVAEFEIYXIAC-UHFFFAOYSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc(C[NH2+][C@H]2CCCSC2)c([O-])c1 ZINC000877086268 590280623 /nfs/dbraw/zinc/28/06/23/590280623.db2.gz ZXUWRKCJJGPJFO-LBPRGKRZSA-N 0 3 237.368 2.686 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)C2CCOCC2)c([O-])c1 ZINC000877090983 590281118 /nfs/dbraw/zinc/28/11/18/590281118.db2.gz WRAWMKFVEHTOTR-LBPRGKRZSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000877105993 590285018 /nfs/dbraw/zinc/28/50/18/590285018.db2.gz OUVVMJVXGKUSCG-LLVKDONJSA-N 0 3 241.281 2.978 20 10 BFCDHN CS[C@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877111043 590287444 /nfs/dbraw/zinc/28/74/44/590287444.db2.gz CVIKMCQXXFJILM-SNVBAGLBSA-N 0 3 225.357 2.542 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc[nH]2)c([O-])c1 ZINC000877123474 590289360 /nfs/dbraw/zinc/28/93/60/590289360.db2.gz LAONVIZXSHZYQA-NSHDSACASA-N 0 3 230.311 2.880 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000877135251 590291099 /nfs/dbraw/zinc/29/10/99/590291099.db2.gz VSHFSZCWCHZHRR-QWHCGFSZSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc(O)c1CN1CCO[C@H](C(C)C)C1 ZINC000877165776 590295132 /nfs/dbraw/zinc/29/51/32/590295132.db2.gz QHJNZLLSYKZUHP-HNNXBMFYSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CCCCO1 ZINC000877186526 590298724 /nfs/dbraw/zinc/29/87/24/590298724.db2.gz PHSHJZDDTDGEJU-ZDUSSCGKSA-N 0 3 249.354 2.749 20 10 BFCDHN CO[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])CC1 ZINC000877196756 590299969 /nfs/dbraw/zinc/29/99/69/590299969.db2.gz JIMJFWVEPALNAQ-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])CC1 ZINC000877196756 590299971 /nfs/dbraw/zinc/29/99/71/590299971.db2.gz JIMJFWVEPALNAQ-ZDUSSCGKSA-N 0 3 249.354 2.702 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CCOCC1CCC1 ZINC000877375479 590319890 /nfs/dbraw/zinc/31/98/90/590319890.db2.gz ZEDUQKVVBDKHEI-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN CO[C@@]1(C)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877487766 590339423 /nfs/dbraw/zinc/33/94/23/590339423.db2.gz VUHVDURYMCVRJJ-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN CO[C@@]1(C)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877487766 590339425 /nfs/dbraw/zinc/33/94/25/590339425.db2.gz VUHVDURYMCVRJJ-HNNXBMFYSA-N 0 3 249.354 2.702 20 10 BFCDHN COCC1(C[NH2+]Cc2c(C)cccc2[O-])CCC1 ZINC000877497773 590342098 /nfs/dbraw/zinc/34/20/98/590342098.db2.gz ASLCGJBMJMQTKR-UHFFFAOYSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H]1C ZINC000877524322 590346879 /nfs/dbraw/zinc/34/68/79/590346879.db2.gz UXMBGAGPYSPKSL-JQWIXIFHSA-N 0 3 205.301 2.589 20 10 BFCDHN CO[C@](C)(C[NH2+]Cc1c(C)cccc1[O-])C1CC1 ZINC000877542720 590351796 /nfs/dbraw/zinc/35/17/96/590351796.db2.gz VZFHZIZVJYRKPU-OAHLLOKOSA-N 0 3 249.354 2.605 20 10 BFCDHN Cc1cccc([O-])c1C[NH2+]CC1CC(F)(F)C1 ZINC000877543794 590353308 /nfs/dbraw/zinc/35/33/08/590353308.db2.gz MDAYVZMLXOYCLC-UHFFFAOYSA-N 0 3 241.281 2.836 20 10 BFCDHN Cc1ccc(C[NH2+]CC[C@H](C)F)c([O-])c1 ZINC000877552078 590355066 /nfs/dbraw/zinc/35/50/66/590355066.db2.gz PULWFWPXENUFIN-JTQLQIEISA-N 0 3 211.280 2.538 20 10 BFCDHN Cc1ccc(C[N@@H+]2CC[C@H]2C2CC2)c([O-])c1 ZINC000877562052 590359940 /nfs/dbraw/zinc/35/99/40/590359940.db2.gz OBYXDNWCXZOVSX-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2CC[C@H]2C2CC2)c([O-])c1 ZINC000877562052 590359942 /nfs/dbraw/zinc/35/99/42/590359942.db2.gz OBYXDNWCXZOVSX-ZDUSSCGKSA-N 0 3 217.312 2.685 20 10 BFCDHN CC[C@@](C)(C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877564474 590361110 /nfs/dbraw/zinc/36/11/10/590361110.db2.gz BUAAAINZIUFKTL-AWEZNQCLSA-N 0 3 237.343 2.605 20 10 BFCDHN Cc1ccc(C[NH2+]CCC[C@H]2CCOC2)c([O-])c1 ZINC000877573040 590363038 /nfs/dbraw/zinc/36/30/38/590363038.db2.gz KRWUOJSLCVHXNF-ZDUSSCGKSA-N 0 3 249.354 2.607 20 10 BFCDHN Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000877590299 590369505 /nfs/dbraw/zinc/36/95/05/590369505.db2.gz YNKOISKRKDONTQ-BZPMIXESSA-N 0 3 249.354 2.604 20 10 BFCDHN Cc1cccc([O-])c1C[NH+]1CC(CC(F)F)C1 ZINC000877599420 590370796 /nfs/dbraw/zinc/37/07/96/590370796.db2.gz ZEDVRXHOWZULKM-UHFFFAOYSA-N 0 3 241.281 2.788 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000877603130 590371770 /nfs/dbraw/zinc/37/17/70/590371770.db2.gz FXQHCIISTGZXCY-CYBMUJFWSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000877603130 590371772 /nfs/dbraw/zinc/37/17/72/590371772.db2.gz FXQHCIISTGZXCY-CYBMUJFWSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000877600902 590371840 /nfs/dbraw/zinc/37/18/40/590371840.db2.gz UHWRORWOCHFAOE-CLLJXQQHSA-N 0 3 217.312 2.589 20 10 BFCDHN Cc1ccc(CN2CCC[C@H](F)C2)c(O)c1 ZINC000877617030 590374498 /nfs/dbraw/zinc/37/44/98/590374498.db2.gz QWNFRJQHLLYKPF-LBPRGKRZSA-N 0 3 223.291 2.635 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877631025 590377588 /nfs/dbraw/zinc/37/75/88/590377588.db2.gz NCLLKPUATVHDSM-ZDUSSCGKSA-N 0 3 219.328 2.979 20 10 BFCDHN [O-]c1ccccc1C[NH+]1CC(c2ccccc2)C1 ZINC000877665944 590388799 /nfs/dbraw/zinc/38/87/99/590388799.db2.gz OUJONWJYRBASPI-UHFFFAOYSA-N 0 3 239.318 2.992 20 10 BFCDHN Cc1ccc(CNCc2c(C)cccc2O)o1 ZINC000877698139 590394015 /nfs/dbraw/zinc/39/40/15/590394015.db2.gz QTCFHKZXWBQSHB-UHFFFAOYSA-N 0 3 231.295 2.892 20 10 BFCDHN CS[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877700181 590394201 /nfs/dbraw/zinc/39/42/01/590394201.db2.gz HDLACJYIPUPYMQ-XYPYZODXSA-N 0 3 237.368 2.684 20 10 BFCDHN CSC1(C[N@@H+]2Cc3cccc([O-])c3C2)CC1 ZINC000877703047 590395964 /nfs/dbraw/zinc/39/59/64/590395964.db2.gz PHHNAOQNGZUVSP-UHFFFAOYSA-N 0 3 235.352 2.603 20 10 BFCDHN CSC1(C[N@H+]2Cc3cccc([O-])c3C2)CC1 ZINC000877703047 590395968 /nfs/dbraw/zinc/39/59/68/590395968.db2.gz PHHNAOQNGZUVSP-UHFFFAOYSA-N 0 3 235.352 2.603 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877740734 590409284 /nfs/dbraw/zinc/40/92/84/590409284.db2.gz TTWAKGDPYDLCTA-STQMWFEESA-N 0 3 249.379 2.577 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877740734 590409286 /nfs/dbraw/zinc/40/92/86/590409286.db2.gz TTWAKGDPYDLCTA-STQMWFEESA-N 0 3 249.379 2.577 20 10 BFCDHN CCc1nocc1CN[C@H](C)c1ccccc1O ZINC000877755467 590416559 /nfs/dbraw/zinc/41/65/59/590416559.db2.gz CAJDPBTVKABSAT-SNVBAGLBSA-N 0 3 246.310 2.793 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000877756322 590418265 /nfs/dbraw/zinc/41/82/65/590418265.db2.gz HBQISUXOPIGBMH-XQQFMLRXSA-N 0 3 249.354 2.858 20 10 BFCDHN Cc1ccoc1CNCc1ccccc1O ZINC000126744957 590432533 /nfs/dbraw/zinc/43/25/33/590432533.db2.gz SKAPISZLNRGVTB-UHFFFAOYSA-N 0 3 217.268 2.583 20 10 BFCDHN CCOc1ccc(C[NH2+]C[C@H]2C=CCC2)c([O-])c1 ZINC000883238422 591583779 /nfs/dbraw/zinc/58/37/79/591583779.db2.gz BMIBNGXQUGTJQA-LBPRGKRZSA-N 0 3 247.338 2.847 20 10 BFCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])CC(C)C ZINC000132039697 591685267 /nfs/dbraw/zinc/68/52/67/591685267.db2.gz CGZWIUUKIWUARN-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[N@H+](Cc1cccc(OC)c1[O-])CC(C)C ZINC000132039697 591685270 /nfs/dbraw/zinc/68/52/70/591685270.db2.gz CGZWIUUKIWUARN-UHFFFAOYSA-N 0 3 237.343 2.879 20 10 BFCDHN CC[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000132434541 591708005 /nfs/dbraw/zinc/70/80/05/591708005.db2.gz RKXYUMZBBCGTAG-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000132434541 591708009 /nfs/dbraw/zinc/70/80/09/591708009.db2.gz RKXYUMZBBCGTAG-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H]1CCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000132432865 591709121 /nfs/dbraw/zinc/70/91/21/591709121.db2.gz LDJQSIFTSKBWKQ-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H]1CCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000132432865 591709123 /nfs/dbraw/zinc/70/91/23/591709123.db2.gz LDJQSIFTSKBWKQ-LBPRGKRZSA-N 0 3 235.327 2.775 20 10 BFCDHN CC[C@H](C)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132510228 591714557 /nfs/dbraw/zinc/71/45/57/591714557.db2.gz LQISHDTYWKFDCM-NSHDSACASA-N 0 3 207.317 2.931 20 10 BFCDHN CC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132510228 591714562 /nfs/dbraw/zinc/71/45/62/591714562.db2.gz LQISHDTYWKFDCM-NSHDSACASA-N 0 3 207.317 2.931 20 10 BFCDHN Cc1ccc([O-])c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000132751482 591735343 /nfs/dbraw/zinc/73/53/43/591735343.db2.gz RKAWZRQJVURBGJ-VXGBXAGGSA-N 0 3 219.328 2.788 20 10 BFCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000133141015 591768011 /nfs/dbraw/zinc/76/80/11/591768011.db2.gz OGHHFCPSEKUNKW-GFCCVEGCSA-N 0 3 205.301 2.670 20 10 BFCDHN CCOc1ccc([O-])c(C[N@H+](CC)C2CC2)c1 ZINC000133332377 591788060 /nfs/dbraw/zinc/78/80/60/591788060.db2.gz DHVGBOQZFUCLJL-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1ccc([O-])c(C[N@@H+](CC)C2CC2)c1 ZINC000133332377 591788064 /nfs/dbraw/zinc/78/80/64/591788064.db2.gz DHVGBOQZFUCLJL-UHFFFAOYSA-N 0 3 235.327 2.775 20 10 BFCDHN CCOc1cccc(C[NH2+]C2CC(C)C2)c1[O-] ZINC000135565018 592018189 /nfs/dbraw/zinc/01/81/89/592018189.db2.gz ZKDQXRIGIRDWDE-UHFFFAOYSA-N 0 3 235.327 2.679 20 10 BFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1(C)CC1 ZINC000136403568 592117117 /nfs/dbraw/zinc/11/71/17/592117117.db2.gz XDMWTACRQUPTBE-JTQLQIEISA-N 0 3 205.301 2.670 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313039493 634441323 /nfs/dbraw/zinc/44/13/23/634441323.db2.gz QGUUUPZAKDXQOT-GXTWGEPZSA-N 0 3 249.354 2.858 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000226615119 635436938 /nfs/dbraw/zinc/43/69/38/635436938.db2.gz RTFFZPRLVVSWQR-NSHDSACASA-N 0 3 241.331 2.517 20 10 BFCDHN C[C@@H]([NH2+]C/C=C/Cl)c1ccccc1[O-] ZINC000308645364 631347067 /nfs/dbraw/zinc/34/70/67/631347067.db2.gz HGBAYNKZCJDCQL-ILFKPUCNSA-N 0 3 211.692 2.795 20 10 BFCDHN CCSCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000308793674 631647859 /nfs/dbraw/zinc/64/78/59/631647859.db2.gz IFXJLSWFOPIIBH-JTQLQIEISA-N 0 3 225.357 2.796 20 10 BFCDHN Cc1cccc(CN[C@@H](C)c2ccccc2O)n1 ZINC000051574229 631810497 /nfs/dbraw/zinc/81/04/97/631810497.db2.gz ZFRLYWSAOCFMJL-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000051574229 631810501 /nfs/dbraw/zinc/81/05/01/631810501.db2.gz ZFRLYWSAOCFMJL-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@@H]([NH2+]CCC(C)(C)O)c1ccccc1[O-] ZINC000310384316 635807913 /nfs/dbraw/zinc/80/79/13/635807913.db2.gz CAZOQWFCKFMVHW-GFCCVEGCSA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1[O-] ZINC000309579153 633204862 /nfs/dbraw/zinc/20/48/62/633204862.db2.gz PVXXIYGJWZOBRI-JFGNBEQYSA-N 0 3 237.368 2.794 20 10 BFCDHN Cc1nc(C)c(CN[C@H](C)c2ccccc2O)o1 ZINC000311784554 635211993 /nfs/dbraw/zinc/21/19/93/635211993.db2.gz JIIDKCPUZPKRHC-SECBINFHSA-N 0 3 246.310 2.848 20 10 BFCDHN CC1(C)C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608022 635439102 /nfs/dbraw/zinc/43/91/02/635439102.db2.gz AJVHSWLMVVNVQB-JTQLQIEISA-N 0 3 223.291 2.667 20 10 BFCDHN CC[C@](C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000322659658 636877115 /nfs/dbraw/zinc/87/71/15/636877115.db2.gz ZVLVPFUYJFTKTC-IUODEOHRSA-N 0 3 249.354 2.784 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1[O-] ZINC000157610727 640696390 /nfs/dbraw/zinc/69/63/90/640696390.db2.gz FOZBGNCVAOUENY-FRRDWIJNSA-N 0 3 248.370 2.526 20 10 BFCDHN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000226565676 640775884 /nfs/dbraw/zinc/77/58/84/640775884.db2.gz IVZMTYOUYJYNAJ-VHSXEESVSA-N 0 3 223.291 2.762 20 10 BFCDHN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000226565676 640775888 /nfs/dbraw/zinc/77/58/88/640775888.db2.gz IVZMTYOUYJYNAJ-VHSXEESVSA-N 0 3 223.291 2.762 20 10 BFCDHN CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000228793130 640895310 /nfs/dbraw/zinc/89/53/10/640895310.db2.gz LFBVPLSBHXFHHE-BXUZGUMPSA-N 0 3 237.343 2.594 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000228803146 640896855 /nfs/dbraw/zinc/89/68/55/640896855.db2.gz DHGPQDPIVSYWDP-SDDRHHMPSA-N 0 3 235.327 2.610 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2)c([O-])c1 ZINC000230672545 641077992 /nfs/dbraw/zinc/07/79/92/641077992.db2.gz VUONKPAGCVNYDA-STQMWFEESA-N 0 3 249.354 2.778 20 10 BFCDHN FC(F)(F)CCNCc1ccc2c(c1)CCO2 ZINC000063099632 641130518 /nfs/dbraw/zinc/13/05/18/641130518.db2.gz XYOBJSJXDDPMBO-UHFFFAOYSA-N 0 3 245.244 2.664 20 10 BFCDHN CC(C)C1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000232538169 641297118 /nfs/dbraw/zinc/29/71/18/641297118.db2.gz WJOSJCAZJDDFFA-UHFFFAOYSA-N 0 3 219.328 2.916 20 10 BFCDHN CO[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000188817120 641770747 /nfs/dbraw/zinc/77/07/47/641770747.db2.gz VVAXZCYMZFPTGR-UTUOFQBUSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000179873179 642751478 /nfs/dbraw/zinc/75/14/78/642751478.db2.gz IJEMGKIPMDIQCF-SNVBAGLBSA-N 0 3 223.291 2.906 20 10 BFCDHN C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000179873179 642751486 /nfs/dbraw/zinc/75/14/86/642751486.db2.gz IJEMGKIPMDIQCF-SNVBAGLBSA-N 0 3 223.291 2.906 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccccc1[O-] ZINC000183528346 643141680 /nfs/dbraw/zinc/14/16/80/643141680.db2.gz XPBNRJNVRGCAGW-AVGNSLFASA-N 0 3 249.354 2.594 20 10 BFCDHN CCC[C@H](C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000083365153 643441563 /nfs/dbraw/zinc/44/15/63/643441563.db2.gz WBKXVLOKWMVKPW-NSHDSACASA-N 0 3 237.343 2.927 20 10 BFCDHN CC(C)(F)CNCc1ccc2c(c1)CCCO2 ZINC000922298991 643960872 /nfs/dbraw/zinc/96/08/72/643960872.db2.gz AFJWYPJZCHXIFW-UHFFFAOYSA-N 0 3 237.318 2.849 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCC1CC=CC1 ZINC000922733296 644083036 /nfs/dbraw/zinc/08/30/36/644083036.db2.gz MMHNLDPYTQGPNQ-UHFFFAOYSA-N 0 3 247.338 2.847 20 10 BFCDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@H](C)O1 ZINC000245552857 644531397 /nfs/dbraw/zinc/53/13/97/644531397.db2.gz DLPMWKPUQPLWOE-TZMCWYRMSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CC2)c([O-])c1 ZINC000756739637 644629498 /nfs/dbraw/zinc/62/94/98/644629498.db2.gz PKUXNNOGUZSWRT-BXUZGUMPSA-N 0 3 249.354 2.512 20 10 BFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c([O-])c1 ZINC000756740013 644629805 /nfs/dbraw/zinc/62/98/05/644629805.db2.gz PKUXNNOGUZSWRT-RISCZKNCSA-N 0 3 249.354 2.512 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CCCC1CCOCC1 ZINC000769495279 644682539 /nfs/dbraw/zinc/68/25/39/644682539.db2.gz OKOHVNFSNGDWPV-UHFFFAOYSA-N 0 3 249.354 2.689 20 10 BFCDHN C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccccc1[O-] ZINC000783520762 644756758 /nfs/dbraw/zinc/75/67/58/644756758.db2.gz YUNOADBUXRCVPX-GFCCVEGCSA-N 0 3 249.354 2.596 20 10 BFCDHN CC1(C)C[C@@]1(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000701969540 712033753 /nfs/dbraw/zinc/03/37/53/712033753.db2.gz SJFCJMXSZAYUTN-CYBMUJFWSA-N 0 3 223.291 2.810 20 10 BFCDHN C[C@H](F)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000702619540 712056120 /nfs/dbraw/zinc/05/61/20/712056120.db2.gz OWVNMZSLMYZIJQ-ONGXEEELSA-N 0 3 223.291 2.717 20 10 BFCDHN COCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000381660104 710669409 /nfs/dbraw/zinc/66/94/09/710669409.db2.gz FYIYYKWPJRCSTK-SECBINFHSA-N 0 3 243.734 2.651 20 10 BFCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@H](C)O1 ZINC000384672643 710995690 /nfs/dbraw/zinc/99/56/90/710995690.db2.gz YHAQSMQLAXCEAF-URBCHYCLSA-N 0 3 247.338 2.535 20 10 BFCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCCOC1 ZINC000388896544 711070197 /nfs/dbraw/zinc/07/01/97/711070197.db2.gz AJDHMSXOSJETMR-AGIUHOORSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000388896565 711070698 /nfs/dbraw/zinc/07/06/98/711070698.db2.gz AJDHMSXOSJETMR-RWMBFGLXSA-N 0 3 249.354 2.858 20 10 BFCDHN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccccc1[O-] ZINC000393810131 711175861 /nfs/dbraw/zinc/17/58/61/711175861.db2.gz SCRQHDPOMOMOML-JBLDHEPKSA-N 0 3 237.368 2.937 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c([O-])c1 ZINC000396568625 711354577 /nfs/dbraw/zinc/35/45/77/711354577.db2.gz YTVGTTKMNDXMDI-NWDGAFQWSA-N 0 3 249.354 2.919 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000398143689 711403187 /nfs/dbraw/zinc/40/31/87/711403187.db2.gz KMUAAEWPXMAGSM-FRRDWIJNSA-N 0 3 249.354 2.919 20 10 BFCDHN CC[C@H](O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000398536209 711411803 /nfs/dbraw/zinc/41/18/03/711411803.db2.gz ZJEAQUGRKUCWTA-QWHCGFSZSA-N 0 3 249.354 2.520 20 10 BFCDHN C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381382302 710630716 /nfs/dbraw/zinc/63/07/16/710630716.db2.gz LPOKWNDJTKIYTO-ADEWGFFLSA-N 0 3 217.312 2.768 20 10 BFCDHN C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000381632699 710664223 /nfs/dbraw/zinc/66/42/23/710664223.db2.gz RYCZXKJKUXULRP-KCJUWKMLSA-N 0 3 241.331 2.515 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000383182718 710978739 /nfs/dbraw/zinc/97/87/39/710978739.db2.gz VFWQWQLQTHHZBY-UHFFFAOYSA-N 0 3 245.244 2.666 20 10 BFCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000384945240 711001155 /nfs/dbraw/zinc/00/11/55/711001155.db2.gz URCGQMDFIFNNHE-BLFANLJRSA-N 0 3 235.327 2.609 20 10 BFCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000384945241 711001433 /nfs/dbraw/zinc/00/14/33/711001433.db2.gz URCGQMDFIFNNHE-DCQANWLSSA-N 0 3 235.327 2.609 20 10 BFCDHN CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000389983116 711102260 /nfs/dbraw/zinc/10/22/60/711102260.db2.gz KKCKLFTZLULHOG-PWSUYJOCSA-N 0 3 205.301 2.670 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)c([O-])c1 ZINC000397337219 711381735 /nfs/dbraw/zinc/38/17/35/711381735.db2.gz ZNWMXCMCTJXUPZ-WFASDCNBSA-N 0 3 249.354 2.778 20 10 BFCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CS1 ZINC000397820217 711393118 /nfs/dbraw/zinc/39/31/18/711393118.db2.gz JTSGIFZOBXMXIF-KWQFWETISA-N 0 3 241.331 2.515 20 10 BFCDHN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[O-] ZINC000397823255 711393213 /nfs/dbraw/zinc/39/32/13/711393213.db2.gz IBNKCDPJUQCARX-YFKTTZPYSA-N 0 3 217.312 2.841 20 10 BFCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000724015523 711556299 /nfs/dbraw/zinc/55/62/99/711556299.db2.gz VIFGBFUYRPUYKQ-KGLIPLIRSA-N 0 3 249.354 2.687 20 10 BFCDHN CC1([NH2+]Cc2ccccc2[O-])CC=CC1 ZINC000702143229 712040339 /nfs/dbraw/zinc/04/03/39/712040339.db2.gz ZQLJXZKOSUXTAF-UHFFFAOYSA-N 0 3 203.285 2.591 20 10 BFCDHN Cc1ccc(O)c(CN2CCOC(C)(C)[C@H]2C)c1 ZINC000707701343 712176927 /nfs/dbraw/zinc/17/69/27/712176927.db2.gz QMVJKZUSJWCRKH-GFCCVEGCSA-N 0 3 249.354 2.700 20 10 BFCDHN COC(C)(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000711838386 712332417 /nfs/dbraw/zinc/33/24/17/712332417.db2.gz DGZBYGKLLCONMN-LLVKDONJSA-N 0 3 237.343 2.858 20 10 BFCDHN CC[C@H]([NH2+]C[C@@H]1CCN1CC)c1ccccc1[O-] ZINC000712527826 712441231 /nfs/dbraw/zinc/44/12/31/712441231.db2.gz HDCXHHFELXZESR-JSGCOSHPSA-N 0 3 248.370 2.527 20 10 BFCDHN CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccccc1[O-] ZINC000714466330 712490870 /nfs/dbraw/zinc/49/08/70/712490870.db2.gz RVQLWFOIOVHNMH-SCRDCRAPSA-N 0 3 249.354 2.858 20 10 BFCDHN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000714726722 712496748 /nfs/dbraw/zinc/49/67/48/712496748.db2.gz ZBVYVMKMCMKZTL-JHJVBQTASA-N 0 3 249.354 2.776 20 10 BFCDHN CC[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1[O-] ZINC000715317727 712516045 /nfs/dbraw/zinc/51/60/45/712516045.db2.gz BDSIWDDEINWUIU-AAEUAGOBSA-N 0 3 217.312 2.985 20 10 BFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)c([O-])c1 ZINC000715322909 712521473 /nfs/dbraw/zinc/52/14/73/712521473.db2.gz QYXYNHQVASOZFW-GWCFXTLKSA-N 0 3 217.312 2.904 20 10 BFCDHN C[C@H](Cc1ccco1)[NH2+]Cc1ccccc1[O-] ZINC000036993534 712527075 /nfs/dbraw/zinc/52/70/75/712527075.db2.gz GCSQIIYWGKLYCU-LLVKDONJSA-N 0 3 231.295 2.706 20 10 BFCDHN Cc1n[nH]c(C[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000716440195 712560825 /nfs/dbraw/zinc/56/08/25/712560825.db2.gz MHOBIESBMBNROK-LLVKDONJSA-N 0 3 245.326 2.583 20 10 BFCDHN CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000716896669 712581062 /nfs/dbraw/zinc/58/10/62/712581062.db2.gz XALMMHKSJHWGTL-CYZMBNFOSA-N 0 3 249.354 2.519 20 10 BFCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717085529 712630042 /nfs/dbraw/zinc/63/00/42/712630042.db2.gz BESYETHFLPIXKU-OUCADQQQSA-N 0 3 231.339 2.918 20 10 BFCDHN C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1[O-] ZINC000717391252 712653933 /nfs/dbraw/zinc/65/39/33/712653933.db2.gz BZGMPPZDPRLAJQ-RYUDHWBXSA-N 0 3 249.354 2.858 20 10 BFCDHN CCC(CC)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001257303354 971192363 /nfs/dbraw/zinc/19/23/63/971192363.db2.gz OAXBXFYSBICOFG-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN CCC(CC)[N@H+]1CCc2cccc([O-])c2C1 ZINC001257303354 971192373 /nfs/dbraw/zinc/19/23/73/971192373.db2.gz OAXBXFYSBICOFG-UHFFFAOYSA-N 0 3 219.328 2.939 20 10 BFCDHN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000693121202 957684764 /nfs/dbraw/zinc/68/47/64/957684764.db2.gz IKKWTWKINFBODI-VXGBXAGGSA-N 0 3 249.354 2.858 20 10 BFCDHN CC[C@H]1CN(Cc2cc(C)ccc2O)[C@H](C)CO1 ZINC000403890853 958908389 /nfs/dbraw/zinc/90/83/89/958908389.db2.gz RBNNVWOQTYFVOB-OCCSQVGLSA-N 0 3 249.354 2.700 20 10 BFCDHN Cc1ccc(O)c(CN2CCOC[C@@H]2C(C)C)c1 ZINC001140623418 960467680 /nfs/dbraw/zinc/46/76/80/960467680.db2.gz RJIKXMSCJYOBCF-CQSZACIVSA-N 0 3 249.354 2.557 20 10 BFCDHN Cc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001140957555 960762498 /nfs/dbraw/zinc/76/24/98/960762498.db2.gz DGZBHYYEKLTTLE-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001140957555 960762511 /nfs/dbraw/zinc/76/25/11/960762511.db2.gz DGZBHYYEKLTTLE-WCQYABFASA-N 0 3 217.312 2.685 20 10 BFCDHN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000840762919 961198665 /nfs/dbraw/zinc/19/86/65/961198665.db2.gz GBEFJYFUHAIUJT-RWMBFGLXSA-N 0 3 249.354 2.999 20 10 BFCDHN CC1(CC(F)F)CN(Cc2ccccc2O)C1 ZINC000843425246 962003502 /nfs/dbraw/zinc/00/35/02/962003502.db2.gz YYNQPNXLFWHVEE-UHFFFAOYSA-N 0 3 241.281 2.869 20 10 BFCDHN CC1(CC(F)F)C[NH+](Cc2ccccc2[O-])C1 ZINC000843425246 962003520 /nfs/dbraw/zinc/00/35/20/962003520.db2.gz YYNQPNXLFWHVEE-UHFFFAOYSA-N 0 3 241.281 2.869 20 10 BFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001203556208 966690625 /nfs/dbraw/zinc/69/06/25/966690625.db2.gz OGOVRSHBDOECSL-LLVKDONJSA-N 0 3 241.281 2.869 20 10 BFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001203556208 966690648 /nfs/dbraw/zinc/69/06/48/966690648.db2.gz OGOVRSHBDOECSL-LLVKDONJSA-N 0 3 241.281 2.869 20 10 BFCDHN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203555704 966693024 /nfs/dbraw/zinc/69/30/24/966693024.db2.gz COGGZDKFZZTUES-CQSZACIVSA-N 0 3 249.354 2.782 20 10 BFCDHN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC001203555704 966693028 /nfs/dbraw/zinc/69/30/28/966693028.db2.gz COGGZDKFZZTUES-CQSZACIVSA-N 0 3 249.354 2.782 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001204279084 966957228 /nfs/dbraw/zinc/95/72/28/966957228.db2.gz PYJCQFDPJKUFMC-SMDDNHRTSA-N 0 3 247.338 2.862 20 10 BFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001204279084 966957233 /nfs/dbraw/zinc/95/72/33/966957233.db2.gz PYJCQFDPJKUFMC-SMDDNHRTSA-N 0 3 247.338 2.862 20 10 BFCDHN C[C@H]([NH2+]CC1(C)CC1)c1ccccc1[O-] ZINC000228797806 967749900 /nfs/dbraw/zinc/74/99/00/967749900.db2.gz AWQFOXPOPLDZLS-JTQLQIEISA-N 0 3 205.301 2.843 20 10 BFCDHN Cc1ccc(CN[C@@H](C)c2ccccc2O)nc1 ZINC000400829298 970631470 /nfs/dbraw/zinc/63/14/70/970631470.db2.gz FBLRQHJLTCBXIQ-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])nc1 ZINC000400829298 970631475 /nfs/dbraw/zinc/63/14/75/970631475.db2.gz FBLRQHJLTCBXIQ-LBPRGKRZSA-N 0 3 242.322 2.946 20 10 BFCDHN CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1[O-] ZINC000402058854 970757849 /nfs/dbraw/zinc/75/78/49/970757849.db2.gz SSQOSJXADKIHFO-GVXVVHGQSA-N 0 3 235.327 2.610 20 10 BFCDHN C[C@@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)c1ccccc1[O-] ZINC001172232606 974474321 /nfs/dbraw/zinc/47/43/21/974474321.db2.gz ILVMEMKMCWTAQF-ODWCKFRGSA-N 0 3 245.322 2.529 20 10 BFCDHN CC(C)OCC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC001172435242 974666696 /nfs/dbraw/zinc/66/66/96/974666696.db2.gz ZZLJDFXGDIXFFC-GFCCVEGCSA-N 0 3 237.343 2.685 20 10 BFCDHN CCOCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172412946 974681138 /nfs/dbraw/zinc/68/11/38/974681138.db2.gz XTYMIKQILPCLGY-RYUDHWBXSA-N 0 3 237.343 2.858 20 10 BFCDHN CO[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001172947558 975004480 /nfs/dbraw/zinc/00/44/80/975004480.db2.gz ZTAOOGCJEUWGPJ-ZIAGYGMSSA-N 0 3 249.354 2.782 20 10 BFCDHN CO[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001172947558 975004486 /nfs/dbraw/zinc/00/44/86/975004486.db2.gz ZTAOOGCJEUWGPJ-ZIAGYGMSSA-N 0 3 249.354 2.782 20 10 BFCDHN Cc1ccc(Nc2ccncc2C)c(O)c1 ZINC001174537278 976820551 /nfs/dbraw/zinc/82/05/51/976820551.db2.gz AOGLQDMPUCETQL-UHFFFAOYSA-N 0 3 214.268 2.570 20 10 BFCDHN COc1cccc([O-])c1C[NH2+]CCCC(F)F ZINC001335506924 977105486 /nfs/dbraw/zinc/10/54/86/977105486.db2.gz QONRULSZUVPQDU-UHFFFAOYSA-N 0 3 245.269 2.536 20 10 BFCDHN CC[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727156 978682456 /nfs/dbraw/zinc/68/24/56/978682456.db2.gz JFMZNZGDOLPKAV-UHFFFAOYSA-N 0 3 249.232 2.743 20 10 BFCDHN CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727156 978682459 /nfs/dbraw/zinc/68/24/59/978682459.db2.gz JFMZNZGDOLPKAV-UHFFFAOYSA-N 0 3 249.232 2.743 20 10 BFCDHN Cc1cccnc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000071339460 979028658 /nfs/dbraw/zinc/02/86/58/979028658.db2.gz PQUYTHZYGZNADO-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN Cc1cccnc1CN[C@H](C)c1ccccc1O ZINC000071339460 979028665 /nfs/dbraw/zinc/02/86/65/979028665.db2.gz PQUYTHZYGZNADO-GFCCVEGCSA-N 0 3 242.322 2.946 20 10 BFCDHN CCc1cccc(CN2CCC[C@H](F)C2)c1O ZINC000689907146 979059744 /nfs/dbraw/zinc/05/97/44/979059744.db2.gz CNGCYXBSQOQXSC-ZDUSSCGKSA-N 0 3 237.318 2.889 20 10 BFCDHN COc1cc(C)c(C[NH2+]C/C=C\C2CC2)c([O-])c1 ZINC001182088683 979452210 /nfs/dbraw/zinc/45/22/10/979452210.db2.gz XEJIWQXAOINBFO-ARJAWSKDSA-N 0 3 247.338 2.765 20 10 BFCDHN CCc1ccc(CN2CC(C(F)F)C2)c(O)c1 ZINC001236789437 979732015 /nfs/dbraw/zinc/73/20/15/979732015.db2.gz WVVMQYJDOZHCTG-UHFFFAOYSA-N 0 3 241.281 2.652 20 10 BFCDHN CCc1ccc(C[N@H+](C)C2CCOCC2)c([O-])c1 ZINC001236782291 979734361 /nfs/dbraw/zinc/73/43/61/979734361.db2.gz AEQGIZKIOOJOSS-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@@H+](C)C2CCOCC2)c([O-])c1 ZINC001236782291 979734371 /nfs/dbraw/zinc/73/43/71/979734371.db2.gz AEQGIZKIOOJOSS-UHFFFAOYSA-N 0 3 249.354 2.565 20 10 BFCDHN CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001236795651 979738125 /nfs/dbraw/zinc/73/81/25/979738125.db2.gz XQJBIYOTTCDRGX-GXTWGEPZSA-N 0 3 231.339 2.939 20 10 BFCDHN CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001236795651 979738135 /nfs/dbraw/zinc/73/81/35/979738135.db2.gz XQJBIYOTTCDRGX-GXTWGEPZSA-N 0 3 231.339 2.939 20 10 BFCDHN COc1cc(C)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC001183103777 979739361 /nfs/dbraw/zinc/73/93/61/979739361.db2.gz NOCFWGPSRVAZQQ-JYAVWHMHSA-N 0 3 247.338 2.597 20 10 BFCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC=CC1 ZINC001236825677 979744105 /nfs/dbraw/zinc/74/41/05/979744105.db2.gz BSSXHRYFQQKKCJ-UHFFFAOYSA-N 0 3 225.291 2.917 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001236820258 979748803 /nfs/dbraw/zinc/74/88/03/979748803.db2.gz IIPBUYCXYNABAI-RISCZKNCSA-N 0 3 247.338 2.694 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001236820258 979748807 /nfs/dbraw/zinc/74/88/07/979748807.db2.gz IIPBUYCXYNABAI-RISCZKNCSA-N 0 3 247.338 2.694 20 10 BFCDHN CC(=O)[C@@H]1CCCCN1Cc1c(C)cccc1O ZINC001237491792 979914693 /nfs/dbraw/zinc/91/46/93/979914693.db2.gz MNINLIQVDTUDON-AWEZNQCLSA-N 0 3 247.338 2.644 20 10 BFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237488421 979916284 /nfs/dbraw/zinc/91/62/84/979916284.db2.gz XFJOWWRCALDRLV-NWDGAFQWSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237488421 979916291 /nfs/dbraw/zinc/91/62/91/979916291.db2.gz XFJOWWRCALDRLV-NWDGAFQWSA-N 0 3 217.312 2.685 20 10 BFCDHN Cc1cc(F)cc(C[N@@H+]2CCC3(CC3)C2)c1[O-] ZINC001238060105 980134893 /nfs/dbraw/zinc/13/48/93/980134893.db2.gz FACWYPDJYWNBCF-UHFFFAOYSA-N 0 3 235.302 2.826 20 10 BFCDHN Cc1cc(F)cc(C[N@H+]2CCC3(CC3)C2)c1[O-] ZINC001238060105 980134904 /nfs/dbraw/zinc/13/49/04/980134904.db2.gz FACWYPDJYWNBCF-UHFFFAOYSA-N 0 3 235.302 2.826 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001346029233 980732893 /nfs/dbraw/zinc/73/28/93/980732893.db2.gz MHBHESWWCVECCJ-NEPJUHHUSA-N 0 3 223.291 2.763 20 10 BFCDHN [O-]c1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000133167249 984082641 /nfs/dbraw/zinc/08/26/41/984082641.db2.gz DFUULTUZTXZYNT-ZDUSSCGKSA-N 0 3 247.338 2.584 20 10 BFCDHN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[O-] ZINC000686518943 985126863 /nfs/dbraw/zinc/12/68/63/985126863.db2.gz VTBAKYLYQAEAHA-MROQNXINSA-N 0 3 249.354 2.856 20 10 BFCDHN C=C/C=C/CC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001462560475 986432136 /nfs/dbraw/zinc/43/21/36/986432136.db2.gz ZCTNYEGJDJZYGN-AATRIKPKSA-N 0 3 247.338 2.931 20 10 BFCDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])CC(F)F ZINC000697715570 987365344 /nfs/dbraw/zinc/36/53/44/987365344.db2.gz GCGXKOVYNNTZSV-QMMMGPOBSA-N 0 3 247.260 2.912 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001326338682 989502289 /nfs/dbraw/zinc/50/22/89/989502289.db2.gz JGXRTCKTNXQLMQ-JQWIXIFHSA-N 0 3 241.281 2.902 20 10 BFCDHN COc1cc(C)c(C[NH2+]CC2CC=CC2)c([O-])c1 ZINC001308866217 991191481 /nfs/dbraw/zinc/19/14/81/991191481.db2.gz UYZRVQKUUIUKNV-UHFFFAOYSA-N 0 3 247.338 2.765 20 10 BFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001308874605 991195786 /nfs/dbraw/zinc/19/57/86/991195786.db2.gz WOIWISJHRVDDEN-VXGBXAGGSA-N 0 3 247.338 2.551 20 10 BFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001308874605 991195791 /nfs/dbraw/zinc/19/57/91/991195791.db2.gz WOIWISJHRVDDEN-VXGBXAGGSA-N 0 3 247.338 2.551 20 10 BFCDHN COc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC001308941156 991226225 /nfs/dbraw/zinc/22/62/25/991226225.db2.gz ZVEMBLSETCMSBM-CMPLNLGQSA-N 0 3 249.354 2.987 20 10 BFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CC(F)(F)C1 ZINC001140058210 991506214 /nfs/dbraw/zinc/50/62/14/991506214.db2.gz UPKKXLVVDPNDHQ-UHFFFAOYSA-N 0 3 245.244 2.761 20 10 BFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CC(F)(F)C1 ZINC001140058210 991506221 /nfs/dbraw/zinc/50/62/21/991506221.db2.gz UPKKXLVVDPNDHQ-UHFFFAOYSA-N 0 3 245.244 2.761 20 10 BFCDHN CN(Cc1cc(F)ccc1O)C1CC(F)(F)C1 ZINC001140058210 991506228 /nfs/dbraw/zinc/50/62/28/991506228.db2.gz UPKKXLVVDPNDHQ-UHFFFAOYSA-N 0 3 245.244 2.761 20 10 BFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC2)CC1 ZINC001140063717 991515727 /nfs/dbraw/zinc/51/57/27/991515727.db2.gz WYIYRHPEYWUQHB-UHFFFAOYSA-N 0 3 235.302 2.907 20 10 BFCDHN C[C@H]([NH2+]C1(C)CC1)c1cc(F)ccc1[O-] ZINC001321036593 992438912 /nfs/dbraw/zinc/43/89/12/992438912.db2.gz BFIQOTPITOJDRK-QMMMGPOBSA-N 0 3 209.264 2.734 20 10 BFCDHN